smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1cccc(CN2CC[C@@]23CCCN(c2cc(-n4ccnc4)cc[nH+]2)C3)c1 ZINC001164996113 722210640 /nfs/dbraw/zinc/21/06/40/722210640.db2.gz LKJBHXSVJPXYKD-JOCHJYFZSA-N 1 3 377.467 3.651 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471384205 837453710 /nfs/dbraw/zinc/45/37/10/837453710.db2.gz NSOJPHGXVHSOFE-NRFANRHFSA-N 1 3 391.559 3.558 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471384205 837453715 /nfs/dbraw/zinc/45/37/15/837453715.db2.gz NSOJPHGXVHSOFE-NRFANRHFSA-N 1 3 391.559 3.558 20 0 GHADHO CC[NH+](CC)CCOc1ccccc1NC(=O)CCN1CCc2ccccc2C1 ZINC000471403194 837601630 /nfs/dbraw/zinc/60/16/30/837601630.db2.gz LUMUPCSKAQMLPR-UHFFFAOYSA-N 1 3 395.547 3.794 20 0 GHADHO CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000613540349 837731812 /nfs/dbraw/zinc/73/18/12/837731812.db2.gz XVEBDYPIXAEZQX-NRFANRHFSA-N 1 3 388.552 3.715 20 0 GHADHO c1ccc(CN2CCCC[C@H](C[NH2+]C3CCN(c4ccccn4)CC3)C2)cc1 ZINC000584440030 834619622 /nfs/dbraw/zinc/61/96/22/834619622.db2.gz YKBXJIZWNLCTBQ-JOCHJYFZSA-N 1 3 378.564 3.942 20 0 GHADHO Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CC34CCC4)cc12 ZINC000657771664 834650637 /nfs/dbraw/zinc/65/06/37/834650637.db2.gz LUEZCNWDKRZNKK-NRFANRHFSA-N 1 3 389.547 3.669 20 0 GHADHO CCCCOc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1OC ZINC000650722259 834688502 /nfs/dbraw/zinc/68/85/02/834688502.db2.gz OBCJWMUNZSBQPZ-ZVDOUQERSA-N 1 3 376.541 3.735 20 0 GHADHO CC(C)N(C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000092820921 834689534 /nfs/dbraw/zinc/68/95/34/834689534.db2.gz DVDCDBVODSPEQQ-UHFFFAOYSA-N 1 3 386.584 3.800 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723405 834702761 /nfs/dbraw/zinc/70/27/61/834702761.db2.gz NJPUDDDYPVSZJX-TYPHKJRUSA-N 1 3 388.943 3.695 20 0 GHADHO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772854 834728081 /nfs/dbraw/zinc/72/80/81/834728081.db2.gz XMSXSXJHPKSODG-QFIPXVFZSA-N 1 3 387.531 3.864 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000728594381 834907274 /nfs/dbraw/zinc/90/72/74/834907274.db2.gz QDCMHTJLVMBXNO-SFTDATJTSA-N 1 3 387.568 3.540 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000728594381 834907278 /nfs/dbraw/zinc/90/72/78/834907278.db2.gz QDCMHTJLVMBXNO-SFTDATJTSA-N 1 3 387.568 3.540 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000728594381 834907280 /nfs/dbraw/zinc/90/72/80/834907280.db2.gz QDCMHTJLVMBXNO-SFTDATJTSA-N 1 3 387.568 3.540 20 0 GHADHO CC1CCN([C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c2cccs2)CC1 ZINC000431570847 834932588 /nfs/dbraw/zinc/93/25/88/834932588.db2.gz MTYZUVUFEPPDGB-OALUTQOASA-N 1 3 377.598 3.902 20 0 GHADHO CC1CCN([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000431570847 834932592 /nfs/dbraw/zinc/93/25/92/834932592.db2.gz MTYZUVUFEPPDGB-OALUTQOASA-N 1 3 377.598 3.902 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274758077 835037237 /nfs/dbraw/zinc/03/72/37/835037237.db2.gz JHIVADQJINZHCX-NQIIRXRSSA-N 1 3 379.504 3.643 20 0 GHADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000433353263 844037597 /nfs/dbraw/zinc/03/75/97/844037597.db2.gz OQZUUPBHLPIUNE-UHFFFAOYSA-N 1 3 375.900 3.594 20 0 GHADHO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658001165 835368247 /nfs/dbraw/zinc/36/82/47/835368247.db2.gz BZRYURSHOJUCGW-AWEZNQCLSA-N 1 3 391.909 3.905 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135325 835445042 /nfs/dbraw/zinc/44/50/42/835445042.db2.gz DHNZKCJQCWJQMQ-XMSQKQJNSA-N 1 3 390.531 3.505 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135325 835445047 /nfs/dbraw/zinc/44/50/47/835445047.db2.gz DHNZKCJQCWJQMQ-XMSQKQJNSA-N 1 3 390.531 3.505 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139948 835464658 /nfs/dbraw/zinc/46/46/58/835464658.db2.gz OWVYWJXEHSXPNA-RXVVDRJESA-N 1 3 386.923 3.910 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139948 835464661 /nfs/dbraw/zinc/46/46/61/835464661.db2.gz OWVYWJXEHSXPNA-RXVVDRJESA-N 1 3 386.923 3.910 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1C ZINC000658163712 835480093 /nfs/dbraw/zinc/48/00/93/835480093.db2.gz ADRXUKGCHBUCBU-IBGZPJMESA-N 1 3 394.563 3.917 20 0 GHADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCCO2 ZINC000658168462 835483425 /nfs/dbraw/zinc/48/34/25/835483425.db2.gz XIEJSRCFWLBRGZ-QFIPXVFZSA-N 1 3 381.520 3.806 20 0 GHADHO Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)CC2)nc(C)n1 ZINC000274897767 835786935 /nfs/dbraw/zinc/78/69/35/835786935.db2.gz KQDGDKKMEYSGHU-SIKLNZKXSA-N 1 3 393.579 3.562 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000081156136 835932582 /nfs/dbraw/zinc/93/25/82/835932582.db2.gz VYIYPHNFDGGIQD-HXUWFJFHSA-N 1 3 379.548 3.708 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000655550115 836367066 /nfs/dbraw/zinc/36/70/66/836367066.db2.gz GVJPPGVJMXWKEF-JOCHJYFZSA-N 1 3 384.568 3.530 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000415907886 838254122 /nfs/dbraw/zinc/25/41/22/838254122.db2.gz OGWPBWTYLQVYML-IBGZPJMESA-N 1 3 380.536 3.924 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000659318051 838277439 /nfs/dbraw/zinc/27/74/39/838277439.db2.gz YISBBNCPKZFDQC-QHCPKHFHSA-N 1 3 389.543 3.736 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000659318051 838277444 /nfs/dbraw/zinc/27/74/44/838277444.db2.gz YISBBNCPKZFDQC-QHCPKHFHSA-N 1 3 389.543 3.736 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000415935340 838282780 /nfs/dbraw/zinc/28/27/80/838282780.db2.gz UJBXWRGDHBDUHL-HXUWFJFHSA-N 1 3 386.565 3.942 20 0 GHADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000312145177 838931124 /nfs/dbraw/zinc/93/11/24/838931124.db2.gz DMALZDOWDTUVLI-UAFMIMERSA-N 1 3 379.589 3.876 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000312143763 838944167 /nfs/dbraw/zinc/94/41/67/838944167.db2.gz WRQZXDCGTSQYKS-WCIQWLHISA-N 1 3 379.589 3.876 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000473501173 844389770 /nfs/dbraw/zinc/38/97/70/844389770.db2.gz BEMDKWHJDSMAIZ-RUZDIDTESA-N 1 3 391.559 3.877 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000473501173 844389781 /nfs/dbraw/zinc/38/97/81/844389781.db2.gz BEMDKWHJDSMAIZ-RUZDIDTESA-N 1 3 391.559 3.877 20 0 GHADHO Brc1cccc(OCCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415072841 839170312 /nfs/dbraw/zinc/17/03/12/839170312.db2.gz AEBORYUXKGPZGI-IEBWSBKVSA-N 1 3 375.310 3.911 20 0 GHADHO CCCOc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OCC ZINC000415120567 839228685 /nfs/dbraw/zinc/22/86/85/839228685.db2.gz GKLHQWNWSCLMBW-UGKGYDQZSA-N 1 3 376.541 3.592 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415131100 839257576 /nfs/dbraw/zinc/25/75/76/839257576.db2.gz YNWJCUOFLPYZDB-IRLDBZIGSA-N 1 3 390.568 3.983 20 0 GHADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000415137137 839261634 /nfs/dbraw/zinc/26/16/34/839261634.db2.gz XTTALYQCYMAAFD-ISKFKSNPSA-N 1 3 380.532 3.984 20 0 GHADHO c1cn(Cc2ccccc2CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000580499317 839694856 /nfs/dbraw/zinc/69/48/56/839694856.db2.gz WMCIQKJZFVSQBG-ISJGIBHGSA-N 1 3 386.543 3.932 20 0 GHADHO c1cn(Cc2ccccc2CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000580499317 839694864 /nfs/dbraw/zinc/69/48/64/839694864.db2.gz WMCIQKJZFVSQBG-ISJGIBHGSA-N 1 3 386.543 3.932 20 0 GHADHO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000580696682 840026468 /nfs/dbraw/zinc/02/64/68/840026468.db2.gz DSRGHPDDRPTPEH-YPAWHYETSA-N 1 3 378.520 3.573 20 0 GHADHO COc1cccc(-c2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)c1OC ZINC000580777342 840159215 /nfs/dbraw/zinc/15/92/15/840159215.db2.gz QMICEPISBLPNGC-HNNXBMFYSA-N 1 3 387.549 3.791 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCN1Cc1ccccc1 ZINC000581210510 840854967 /nfs/dbraw/zinc/85/49/67/840854967.db2.gz NNYDEMKJIQHBDE-BWKNWUBXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccccc2CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000581210510 840854985 /nfs/dbraw/zinc/85/49/85/840854985.db2.gz NNYDEMKJIQHBDE-BWKNWUBXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccccc2CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000581210510 840854995 /nfs/dbraw/zinc/85/49/95/840854995.db2.gz NNYDEMKJIQHBDE-BWKNWUBXSA-N 1 3 393.575 3.662 20 0 GHADHO c1ccc([C@H]2CCCN(CCOCC[N@@H+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628680 841024397 /nfs/dbraw/zinc/02/43/97/841024397.db2.gz VOPFHYDAWHXLJC-VXKWHMMOSA-N 1 3 394.563 3.552 20 0 GHADHO c1ccc([C@H]2CCCN(CCOCC[N@H+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628680 841024405 /nfs/dbraw/zinc/02/44/05/841024405.db2.gz VOPFHYDAWHXLJC-VXKWHMMOSA-N 1 3 394.563 3.552 20 0 GHADHO O=C1Nc2ccccc2S[C@H]1CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660679221 841084292 /nfs/dbraw/zinc/08/42/92/841084292.db2.gz JQVGBYWSIGZVLA-NRFANRHFSA-N 1 3 381.545 3.744 20 0 GHADHO COc1cccc([C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)N2CCCC2)c1 ZINC000044291820 841279943 /nfs/dbraw/zinc/27/99/43/841279943.db2.gz GCJDQSHBBUDWOE-JOCHJYFZSA-N 1 3 396.535 3.715 20 0 GHADHO CN(C)C(=O)c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000417945318 841303994 /nfs/dbraw/zinc/30/39/94/841303994.db2.gz XODQFGPKLZTZLP-FRIKZZABSA-N 1 3 377.532 3.674 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000418194889 841635923 /nfs/dbraw/zinc/63/59/23/841635923.db2.gz GBTSITTYSVEYDL-VGOFRKELSA-N 1 3 398.551 3.596 20 0 GHADHO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782988 841913662 /nfs/dbraw/zinc/91/36/62/841913662.db2.gz KSNRTQOZFWOOPG-QGZVFWFLSA-N 1 3 385.533 3.750 20 0 GHADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000581660982 841931008 /nfs/dbraw/zinc/93/10/08/841931008.db2.gz SISHRRKQRYCJSL-OKKOYFSCSA-N 1 3 383.580 3.559 20 0 GHADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(C)(C)CN(C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044698 842300244 /nfs/dbraw/zinc/30/02/44/842300244.db2.gz HANNKSMHTATDKQ-XJUOHMSHSA-N 1 3 387.612 3.718 20 0 GHADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC(C)(C)CN(C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044698 842300257 /nfs/dbraw/zinc/30/02/57/842300257.db2.gz HANNKSMHTATDKQ-XJUOHMSHSA-N 1 3 387.612 3.718 20 0 GHADHO CCN(CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662158687 842778870 /nfs/dbraw/zinc/77/88/70/842778870.db2.gz XDLLQCTWUSSAJB-MRXNPFEDSA-N 1 3 399.501 3.559 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000510544819 842939168 /nfs/dbraw/zinc/93/91/68/842939168.db2.gz JMCJKEPQWQTKBQ-YUVXSKOASA-N 1 3 398.595 3.774 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000510544819 842939172 /nfs/dbraw/zinc/93/91/72/842939172.db2.gz JMCJKEPQWQTKBQ-YUVXSKOASA-N 1 3 398.595 3.774 20 0 GHADHO CC1CCC(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001126217589 843000806 /nfs/dbraw/zinc/00/08/06/843000806.db2.gz CCMARXXSJNSXBA-APKLWFBNSA-N 1 3 383.580 3.622 20 0 GHADHO CC1CCC(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001126217589 843000817 /nfs/dbraw/zinc/00/08/17/843000817.db2.gz CCMARXXSJNSXBA-APKLWFBNSA-N 1 3 383.580 3.622 20 0 GHADHO O=C(C1CC[NH+](CCCN2CCCCC2)CC1)N(Cc1ccccc1)C1CC1 ZINC000161864397 843147678 /nfs/dbraw/zinc/14/76/78/843147678.db2.gz WPWDDNZQCLTLNW-UHFFFAOYSA-N 1 3 383.580 3.766 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000418664613 843518031 /nfs/dbraw/zinc/51/80/31/843518031.db2.gz DEGPSAACCLGIGJ-JOCHJYFZSA-N 1 3 382.552 3.548 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466832 843664680 /nfs/dbraw/zinc/66/46/80/843664680.db2.gz ALEATDDTZJDNDK-DOTOQJQBSA-N 1 3 393.959 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466832 843664682 /nfs/dbraw/zinc/66/46/82/843664682.db2.gz ALEATDDTZJDNDK-DOTOQJQBSA-N 1 3 393.959 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466832 843664687 /nfs/dbraw/zinc/66/46/87/843664687.db2.gz ALEATDDTZJDNDK-DOTOQJQBSA-N 1 3 393.959 3.777 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](CC(F)(F)F)C(C)C)CC1 ZINC000432788861 843829258 /nfs/dbraw/zinc/82/92/58/843829258.db2.gz NBWWFJMFAIKALH-LJQANCHMSA-N 1 3 399.501 3.642 20 0 GHADHO C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000179102746 861470363 /nfs/dbraw/zinc/47/03/63/861470363.db2.gz IRPZHQXQSRFZRX-NTKDMRAZSA-N 1 3 391.559 3.897 20 0 GHADHO CC[NH+](CC)CCCC1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000474930588 861475103 /nfs/dbraw/zinc/47/51/03/861475103.db2.gz QUMARTJVBAKYHB-UHFFFAOYSA-N 1 3 375.582 3.934 20 0 GHADHO C[NH+](C)CC[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(C)(C)C ZINC000522479843 861486414 /nfs/dbraw/zinc/48/64/14/861486414.db2.gz QMPLSMIQOMROMM-ICSRJNTNSA-N 1 3 377.548 3.520 20 0 GHADHO Cc1noc(C[C@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c2ccccc2)n1 ZINC000277151894 844870532 /nfs/dbraw/zinc/87/05/32/844870532.db2.gz QHTRALLADXZZHJ-JTSKRJEESA-N 1 3 394.519 3.953 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(F)cc2c1OCOC2 ZINC000179396814 861562980 /nfs/dbraw/zinc/56/29/80/861562980.db2.gz KZYYALVHNRSGSY-UHFFFAOYSA-N 1 3 385.483 3.826 20 0 GHADHO C[C@H](NCCC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519406 845542636 /nfs/dbraw/zinc/54/26/36/845542636.db2.gz SCWMHMHOTJSXQZ-JXHRLWIKSA-N 1 3 383.580 3.813 20 0 GHADHO C[C@H](NCCC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519406 845542642 /nfs/dbraw/zinc/54/26/42/845542642.db2.gz SCWMHMHOTJSXQZ-JXHRLWIKSA-N 1 3 383.580 3.813 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000411531797 845553438 /nfs/dbraw/zinc/55/34/38/845553438.db2.gz LOVHXCKGRQAVPA-HROJSSOGSA-N 1 3 397.538 3.530 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000433943508 845641606 /nfs/dbraw/zinc/64/16/06/845641606.db2.gz UOBUOEJPGJSEMC-KJXAQDMKSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000433943508 845641611 /nfs/dbraw/zinc/64/16/11/845641611.db2.gz UOBUOEJPGJSEMC-KJXAQDMKSA-N 1 3 398.595 3.603 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000502856871 846553021 /nfs/dbraw/zinc/55/30/21/846553021.db2.gz BNNRQBAELLIAGR-SIKLNZKXSA-N 1 3 388.600 3.663 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000502856871 846553024 /nfs/dbraw/zinc/55/30/24/846553024.db2.gz BNNRQBAELLIAGR-SIKLNZKXSA-N 1 3 388.600 3.663 20 0 GHADHO C[N@H+](CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000501574960 847032253 /nfs/dbraw/zinc/03/22/53/847032253.db2.gz UXCGBPMAFXFLOZ-JOCHJYFZSA-N 1 3 386.584 3.777 20 0 GHADHO C[N@@H+](CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000501574960 847032264 /nfs/dbraw/zinc/03/22/64/847032264.db2.gz UXCGBPMAFXFLOZ-JOCHJYFZSA-N 1 3 386.584 3.777 20 0 GHADHO C[NH+](C)CCCCN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272492436 847090898 /nfs/dbraw/zinc/09/08/98/847090898.db2.gz UQEHXJHATJQKFX-FQEVSTJZSA-N 1 3 394.968 3.764 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000501791667 847186429 /nfs/dbraw/zinc/18/64/29/847186429.db2.gz AXBPOQGDLUXSLA-DLBZAZTESA-N 1 3 379.976 3.960 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422733141 847786839 /nfs/dbraw/zinc/78/68/39/847786839.db2.gz QPYZKGCUKCBSRU-RIFZZMRRSA-N 1 3 393.453 3.712 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422715264 847792441 /nfs/dbraw/zinc/79/24/41/847792441.db2.gz RVCZFSYGODMWIB-QKYXUNIQSA-N 1 3 388.353 3.576 20 0 GHADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2cccc3ccccc32)C2CCCC2)C1 ZINC000414694204 847832214 /nfs/dbraw/zinc/83/22/14/847832214.db2.gz MTIVMIDALIVQDH-IBGZPJMESA-N 1 3 379.548 3.782 20 0 GHADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2cccc3ccccc32)C2CCCC2)C1 ZINC000414694204 847832226 /nfs/dbraw/zinc/83/22/26/847832226.db2.gz MTIVMIDALIVQDH-IBGZPJMESA-N 1 3 379.548 3.782 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000422832329 847845626 /nfs/dbraw/zinc/84/56/26/847845626.db2.gz FQFMCYAMXFIVQD-CHWSQXEVSA-N 1 3 378.314 3.729 20 0 GHADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422818322 847851540 /nfs/dbraw/zinc/85/15/40/847851540.db2.gz GDEJEECUKXKNNM-BPQIPLTHSA-N 1 3 393.959 3.886 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000422862948 847859548 /nfs/dbraw/zinc/85/95/48/847859548.db2.gz OGGSYQSIYQGYQN-ZDUSSCGKSA-N 1 3 393.457 3.582 20 0 GHADHO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422885473 847870543 /nfs/dbraw/zinc/87/05/43/847870543.db2.gz YVFQQGGNKWTTBX-SFTDATJTSA-N 1 3 381.520 3.762 20 0 GHADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1C(F)(F)F ZINC000422919420 847903314 /nfs/dbraw/zinc/90/33/14/847903314.db2.gz JUTUQSTZSWWPIW-MXSMSXNCSA-N 1 3 386.458 3.610 20 0 GHADHO CCC(CC)(CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000503797599 847949338 /nfs/dbraw/zinc/94/93/38/847949338.db2.gz WJTOUYGUVCCFMX-NQIIRXRSSA-N 1 3 386.584 3.774 20 0 GHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000423093123 847976472 /nfs/dbraw/zinc/97/64/72/847976472.db2.gz FWHUYFLQPJANPU-FJWRHQQOSA-N 1 3 397.332 3.581 20 0 GHADHO Fc1ccc(Br)c(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535176 848108481 /nfs/dbraw/zinc/10/84/81/848108481.db2.gz HOUMXXWNEGHGFJ-UHFFFAOYSA-N 1 3 385.321 3.569 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cc(F)cc(C(F)(F)F)c3)cc2)C1 ZINC000657595809 848292097 /nfs/dbraw/zinc/29/20/97/848292097.db2.gz KEOKIULDJRCNOS-LJQANCHMSA-N 1 3 382.401 3.701 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cc(F)cc(C(F)(F)F)c3)cc2)C1 ZINC000657595809 848292101 /nfs/dbraw/zinc/29/21/01/848292101.db2.gz KEOKIULDJRCNOS-LJQANCHMSA-N 1 3 382.401 3.701 20 0 GHADHO N[C@H](CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000237850803 848728742 /nfs/dbraw/zinc/72/87/42/848728742.db2.gz VTSALQSVLCGYFF-XMMPIXPASA-N 1 3 393.575 3.928 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000079610847 849140074 /nfs/dbraw/zinc/14/00/74/849140074.db2.gz VRXQLVOGPJEJSD-QFIPXVFZSA-N 1 3 386.584 3.585 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000079610847 849140082 /nfs/dbraw/zinc/14/00/82/849140082.db2.gz VRXQLVOGPJEJSD-QFIPXVFZSA-N 1 3 386.584 3.585 20 0 GHADHO Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccc(OCC[NH+](C)C)cc3)cn2)n1 ZINC000162762045 849440719 /nfs/dbraw/zinc/44/07/19/849440719.db2.gz SGTICXXETAPNFX-IBGZPJMESA-N 1 3 393.535 3.675 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414853127 849756132 /nfs/dbraw/zinc/75/61/32/849756132.db2.gz RWLAUCLWYKYTIA-DYVFJYSZSA-N 1 3 382.346 3.663 20 0 GHADHO FC(F)Oc1ccc([C@H](NCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423199778 849802554 /nfs/dbraw/zinc/80/25/54/849802554.db2.gz CRANZAXGKGYUJG-LJQANCHMSA-N 1 3 395.881 3.526 20 0 GHADHO [NH3+]C1(CN[C@H]2CCc3cc(F)c(F)c(F)c32)CCN(Cc2ccccc2)CC1 ZINC000423533482 849959946 /nfs/dbraw/zinc/95/99/46/849959946.db2.gz XNUATTPMLQNUKW-SFHVURJKSA-N 1 3 389.465 3.674 20 0 GHADHO COC[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000423522443 849966565 /nfs/dbraw/zinc/96/65/65/849966565.db2.gz HIXZGNIDHKKEID-OAQYLSRUSA-N 1 3 387.955 3.611 20 0 GHADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000415004483 850372266 /nfs/dbraw/zinc/37/22/66/850372266.db2.gz OEWUZJZEJLBKKQ-LKUPVBHCSA-N 1 3 386.511 3.757 20 0 GHADHO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1OCc1ccncc1 ZINC000414803431 850583858 /nfs/dbraw/zinc/58/38/58/850583858.db2.gz CPMMKMIGOKWKPZ-KRWDZBQOSA-N 1 3 377.488 3.979 20 0 GHADHO COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OCc1cccnc1 ZINC000414806277 850618451 /nfs/dbraw/zinc/61/84/51/850618451.db2.gz HORWWDZBSDFDPF-QGZVFWFLSA-N 1 3 377.488 3.979 20 0 GHADHO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000440209221 850920438 /nfs/dbraw/zinc/92/04/38/850920438.db2.gz BQLTVGOWCMGRKA-SFHVURJKSA-N 1 3 380.602 3.503 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1)CC1CC1 ZINC000434355659 851026256 /nfs/dbraw/zinc/02/62/56/851026256.db2.gz PECVPRYBNCJFCL-JOCHJYFZSA-N 1 3 390.616 3.547 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1)CC1CC1 ZINC000434355659 851026261 /nfs/dbraw/zinc/02/62/61/851026261.db2.gz PECVPRYBNCJFCL-JOCHJYFZSA-N 1 3 390.616 3.547 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000425444211 851125270 /nfs/dbraw/zinc/12/52/70/851125270.db2.gz LZUJXSGNJHCPIK-JOCHJYFZSA-N 1 3 398.595 3.728 20 0 GHADHO c1cc(-c2n[nH]cc2CNCc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000436230679 851344370 /nfs/dbraw/zinc/34/43/70/851344370.db2.gz ILQZTDZUYVTIBM-UHFFFAOYSA-N 1 3 382.533 3.903 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccsc1 ZINC000514248126 851473617 /nfs/dbraw/zinc/47/36/17/851473617.db2.gz MJXSHISUXNCCBB-PKOBYXMFSA-N 1 3 380.602 3.551 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccco1 ZINC000488460933 851517407 /nfs/dbraw/zinc/51/74/07/851517407.db2.gz NXOPAXZFCYTVPL-IHPCNDPISA-N 1 3 386.540 3.619 20 0 GHADHO CC[C@@]1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001167977282 851915296 /nfs/dbraw/zinc/91/52/96/851915296.db2.gz AZSISOWCKVMGNW-SOUXKNCUSA-N 1 3 377.573 3.771 20 0 GHADHO CC[C@@]1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001167977282 851915309 /nfs/dbraw/zinc/91/53/09/851915309.db2.gz AZSISOWCKVMGNW-SOUXKNCUSA-N 1 3 377.573 3.771 20 0 GHADHO CC[C@@]1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001167977282 851915321 /nfs/dbraw/zinc/91/53/21/851915321.db2.gz AZSISOWCKVMGNW-SOUXKNCUSA-N 1 3 377.573 3.771 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000489233963 852152059 /nfs/dbraw/zinc/15/20/59/852152059.db2.gz RDHKAWKIEZOQPJ-XMSQKQJNSA-N 1 3 382.552 3.629 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000489233963 852152069 /nfs/dbraw/zinc/15/20/69/852152069.db2.gz RDHKAWKIEZOQPJ-XMSQKQJNSA-N 1 3 382.552 3.629 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000516162602 852204409 /nfs/dbraw/zinc/20/44/09/852204409.db2.gz QDCYNBMBONADOA-QIJUGHKUSA-N 1 3 386.584 3.632 20 0 GHADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCC(C[NH+]2CCCC2)CC1 ZINC000506948272 852374101 /nfs/dbraw/zinc/37/41/01/852374101.db2.gz VZMMGDZQEWJCGE-UHFFFAOYSA-N 1 3 386.492 3.536 20 0 GHADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000438549990 852561600 /nfs/dbraw/zinc/56/16/00/852561600.db2.gz HHHZTHLHRVPWHC-QHCPKHFHSA-N 1 3 383.580 3.561 20 0 GHADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000438549990 852561607 /nfs/dbraw/zinc/56/16/07/852561607.db2.gz HHHZTHLHRVPWHC-QHCPKHFHSA-N 1 3 383.580 3.561 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598779 852781600 /nfs/dbraw/zinc/78/16/00/852781600.db2.gz HYVNMHDSEDRKEM-KMDXXIMOSA-N 1 3 397.607 3.541 20 0 GHADHO CCCCN1CCC([NH2+]CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000517231019 853521139 /nfs/dbraw/zinc/52/11/39/853521139.db2.gz NERQVZNRJDDMBX-UHFFFAOYSA-N 1 3 397.947 3.540 20 0 GHADHO CCCC[NH+]1CCC(NCCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000517231019 853521145 /nfs/dbraw/zinc/52/11/45/853521145.db2.gz NERQVZNRJDDMBX-UHFFFAOYSA-N 1 3 397.947 3.540 20 0 GHADHO C[NH+](C)CC[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(C)(C)C ZINC000604807203 862518882 /nfs/dbraw/zinc/51/88/82/862518882.db2.gz BEDQZUJPABYZED-WMZOPIPTSA-N 1 3 380.602 3.551 20 0 GHADHO COc1ccc([C@H]2C[C@H](N3CCC([NH3+])(c4ccccc4OC)CC3)CCO2)cc1 ZINC001168616715 855057424 /nfs/dbraw/zinc/05/74/24/855057424.db2.gz OCHBSLFCGLVUCL-AUSIDOKSSA-N 1 3 396.531 3.874 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000589773307 855134452 /nfs/dbraw/zinc/13/44/52/855134452.db2.gz SLZGOPHQCTYNFQ-HSZRJFAPSA-N 1 3 396.579 3.891 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000589950615 855203086 /nfs/dbraw/zinc/20/30/86/855203086.db2.gz FCACGNUWMLHQND-IFMALSPDSA-N 1 3 387.543 3.515 20 0 GHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000060367682 856281532 /nfs/dbraw/zinc/28/15/32/856281532.db2.gz YRZQTTOGMTUPJQ-UYAOXDASSA-N 1 3 389.559 3.664 20 0 GHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000060367682 856281546 /nfs/dbraw/zinc/28/15/46/856281546.db2.gz YRZQTTOGMTUPJQ-UYAOXDASSA-N 1 3 389.559 3.664 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000060368407 856281613 /nfs/dbraw/zinc/28/16/13/856281613.db2.gz RXTKCNQZZBCPCH-QZTJIDSGSA-N 1 3 380.960 3.930 20 0 GHADHO Nc1ccnc(CN2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000520752047 856341379 /nfs/dbraw/zinc/34/13/79/856341379.db2.gz TVGBDQAGMRROPO-OAQYLSRUSA-N 1 3 379.552 3.546 20 0 GHADHO CC(=O)N1CCC[C@H](C[NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000639125023 856382565 /nfs/dbraw/zinc/38/25/65/856382565.db2.gz XYLGRKACVXQIJV-VWNXMTODSA-N 1 3 385.596 3.773 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)c(C)c4ncccc34)CC2)CC1 ZINC000573860716 856578987 /nfs/dbraw/zinc/57/89/87/856578987.db2.gz NEIXWCDMOWPXJO-UHFFFAOYSA-N 1 3 394.563 3.986 20 0 GHADHO CC(C)[NH+](CCN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1)C(C)C ZINC000508034024 856812432 /nfs/dbraw/zinc/81/24/32/856812432.db2.gz CSMYNXQCZMKQOU-GOSISDBHSA-N 1 3 380.602 3.645 20 0 GHADHO COCCOCc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000574002998 856851587 /nfs/dbraw/zinc/85/15/87/856851587.db2.gz SOLGMGZNZSVRKU-RUZDIDTESA-N 1 3 394.559 3.948 20 0 GHADHO COCCOCc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000574002998 856851591 /nfs/dbraw/zinc/85/15/91/856851591.db2.gz SOLGMGZNZSVRKU-RUZDIDTESA-N 1 3 394.559 3.948 20 0 GHADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185684 862872443 /nfs/dbraw/zinc/87/24/43/862872443.db2.gz MYIWBBCKZJHUCG-QFBILLFUSA-N 1 3 385.474 3.546 20 0 GHADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185684 862872456 /nfs/dbraw/zinc/87/24/56/862872456.db2.gz MYIWBBCKZJHUCG-QFBILLFUSA-N 1 3 385.474 3.546 20 0 GHADHO C[N@H+](CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000060061309 857405406 /nfs/dbraw/zinc/40/54/06/857405406.db2.gz FGZMEGBQAAULTH-JOCHJYFZSA-N 1 3 397.538 3.676 20 0 GHADHO C[N@@H+](CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000060061309 857405415 /nfs/dbraw/zinc/40/54/15/857405415.db2.gz FGZMEGBQAAULTH-JOCHJYFZSA-N 1 3 397.538 3.676 20 0 GHADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000065931471 857878559 /nfs/dbraw/zinc/87/85/59/857878559.db2.gz QYCFXXLRQIGJCS-UHFFFAOYSA-N 1 3 383.511 3.626 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc(C)cc(Cl)c2)CC1 ZINC000560524178 857926872 /nfs/dbraw/zinc/92/68/72/857926872.db2.gz PNOFMIVNSWLLMJ-UHFFFAOYSA-N 1 3 379.976 3.709 20 0 GHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000442879477 858201415 /nfs/dbraw/zinc/20/14/15/858201415.db2.gz WJCHYAWRYPCXTL-FQEVSTJZSA-N 1 3 381.564 3.942 20 0 GHADHO COc1cc(CN2CCC[C@@H](CC[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000442923175 858246403 /nfs/dbraw/zinc/24/64/03/858246403.db2.gz QCZDZDQOKOQXNS-SFHVURJKSA-N 1 3 384.520 3.844 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000522044005 858565570 /nfs/dbraw/zinc/56/55/70/858565570.db2.gz GKBRUMWULCAFMS-XXBNENTESA-N 1 3 394.563 3.773 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000522044005 858565575 /nfs/dbraw/zinc/56/55/75/858565575.db2.gz GKBRUMWULCAFMS-XXBNENTESA-N 1 3 394.563 3.773 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000157623128 858657152 /nfs/dbraw/zinc/65/71/52/858657152.db2.gz RQFHMAKENXYYNT-OALUTQOASA-N 1 3 390.535 3.745 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000157623128 858657164 /nfs/dbraw/zinc/65/71/64/858657164.db2.gz RQFHMAKENXYYNT-OALUTQOASA-N 1 3 390.535 3.745 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000157651805 858692003 /nfs/dbraw/zinc/69/20/03/858692003.db2.gz KYRUKRYULUAZNT-OALUTQOASA-N 1 3 390.535 3.888 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000157651805 858692007 /nfs/dbraw/zinc/69/20/07/858692007.db2.gz KYRUKRYULUAZNT-OALUTQOASA-N 1 3 390.535 3.888 20 0 GHADHO CC(C)[NH+]1CCC(O)(CNCc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000482759301 858832786 /nfs/dbraw/zinc/83/27/86/858832786.db2.gz INDGUHLPCVHBMK-UHFFFAOYSA-N 1 3 398.595 3.554 20 0 GHADHO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522223411 858846523 /nfs/dbraw/zinc/84/65/23/858846523.db2.gz VTKASPXYSGCESF-OAQYLSRUSA-N 1 3 378.520 3.528 20 0 GHADHO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001126943871 858921795 /nfs/dbraw/zinc/92/17/95/858921795.db2.gz IVVUSTBCTKKCPK-RPWUZVMVSA-N 1 3 391.559 3.632 20 0 GHADHO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001126943871 858921806 /nfs/dbraw/zinc/92/18/06/858921806.db2.gz IVVUSTBCTKKCPK-RPWUZVMVSA-N 1 3 391.559 3.632 20 0 GHADHO CC(C)Sc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482862282 858926521 /nfs/dbraw/zinc/92/65/21/858926521.db2.gz DGZSYUSNMVXYRL-QGZVFWFLSA-N 1 3 377.598 3.780 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429686624 859005875 /nfs/dbraw/zinc/00/58/75/859005875.db2.gz OZXDARJNVROVCE-QLBJFCOMSA-N 1 3 399.623 3.864 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429686624 859005879 /nfs/dbraw/zinc/00/58/79/859005879.db2.gz OZXDARJNVROVCE-QLBJFCOMSA-N 1 3 399.623 3.864 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCN1Cc1ccccc1 ZINC000466301955 859058707 /nfs/dbraw/zinc/05/87/07/859058707.db2.gz ZIXZUIRTUNSBJL-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCN1Cc1ccccc1 ZINC000466301955 859058711 /nfs/dbraw/zinc/05/87/11/859058711.db2.gz ZIXZUIRTUNSBJL-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185676308 859116105 /nfs/dbraw/zinc/11/61/05/859116105.db2.gz FPRJZPBGGTWPEI-ZEYPLWLESA-N 1 3 382.548 3.822 20 0 GHADHO C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185676308 859116108 /nfs/dbraw/zinc/11/61/08/859116108.db2.gz FPRJZPBGGTWPEI-ZEYPLWLESA-N 1 3 382.548 3.822 20 0 GHADHO CC(C)C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000051761236 859313588 /nfs/dbraw/zinc/31/35/88/859313588.db2.gz NGSDGYOVLPRRSJ-LJQANCHMSA-N 1 3 392.613 3.693 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[C@H](C)[NH+]1CCCCC1 ZINC000543393035 859539347 /nfs/dbraw/zinc/53/93/47/859539347.db2.gz PLPWIDXZZBPEBO-MSOLQXFVSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000543393035 859539353 /nfs/dbraw/zinc/53/93/53/859539353.db2.gz PLPWIDXZZBPEBO-MSOLQXFVSA-N 1 3 379.976 3.931 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C12CCC2 ZINC000903206831 859543668 /nfs/dbraw/zinc/54/36/68/859543668.db2.gz UACVASKOKVXFPQ-ZCTYVAAUSA-N 1 3 375.557 3.666 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000903206831 859543675 /nfs/dbraw/zinc/54/36/75/859543675.db2.gz UACVASKOKVXFPQ-ZCTYVAAUSA-N 1 3 375.557 3.666 20 0 GHADHO O=C(NC[C@@H]1CCCCN1C1CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000765663809 860384717 /nfs/dbraw/zinc/38/47/17/860384717.db2.gz QYKPRUTUXVSQLK-QFIPXVFZSA-N 1 3 384.568 3.853 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c1C ZINC000598975953 860709646 /nfs/dbraw/zinc/70/96/46/860709646.db2.gz PFPFKXIVEPTDFB-UHFFFAOYSA-N 1 3 399.535 3.571 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856603550 881577869 /nfs/dbraw/zinc/57/78/69/881577869.db2.gz BMYFLFBBXJYWKV-QHCPKHFHSA-N 1 3 389.584 3.972 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856603550 881577877 /nfs/dbraw/zinc/57/78/77/881577877.db2.gz BMYFLFBBXJYWKV-QHCPKHFHSA-N 1 3 389.584 3.972 20 0 GHADHO CO[C@H](C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCC1 ZINC000856607164 881585301 /nfs/dbraw/zinc/58/53/01/881585301.db2.gz XGEOEJHPHOQRMP-FGZHOGPDSA-N 1 3 375.557 3.580 20 0 GHADHO CO[C@H](C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCC1 ZINC000856607164 881585312 /nfs/dbraw/zinc/58/53/12/881585312.db2.gz XGEOEJHPHOQRMP-FGZHOGPDSA-N 1 3 375.557 3.580 20 0 GHADHO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600050028 860862306 /nfs/dbraw/zinc/86/23/06/860862306.db2.gz FYQWAYHJJBIGQL-FQEVSTJZSA-N 1 3 385.596 3.662 20 0 GHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182267206 863168988 /nfs/dbraw/zinc/16/89/88/863168988.db2.gz KQOKYUOKRUIDGR-JTHBVZDNSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182267206 863168993 /nfs/dbraw/zinc/16/89/93/863168993.db2.gz KQOKYUOKRUIDGR-JTHBVZDNSA-N 1 3 380.532 3.874 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000606704171 863770105 /nfs/dbraw/zinc/77/01/05/863770105.db2.gz QLGSVPVIUHWUAV-DHIUTWEWSA-N 1 3 398.595 3.557 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000606704171 863770109 /nfs/dbraw/zinc/77/01/09/863770109.db2.gz QLGSVPVIUHWUAV-DHIUTWEWSA-N 1 3 398.595 3.557 20 0 GHADHO CCN(CCNC1CC[NH+](CCc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000378894189 863848557 /nfs/dbraw/zinc/84/85/57/863848557.db2.gz SYFRUPBQVXTWSN-UHFFFAOYSA-N 1 3 375.557 3.540 20 0 GHADHO CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159030793 864015479 /nfs/dbraw/zinc/01/54/79/864015479.db2.gz KRHDSTGFXBYCOM-HXUWFJFHSA-N 1 3 386.584 3.602 20 0 GHADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475119983 864223831 /nfs/dbraw/zinc/22/38/31/864223831.db2.gz DYEVEUTVJHUXST-HSZRJFAPSA-N 1 3 398.595 3.747 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000734510736 864269083 /nfs/dbraw/zinc/26/90/83/864269083.db2.gz YWZGYJVALZTBEM-KBXCAEBGSA-N 1 3 390.597 3.843 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000734510736 864269098 /nfs/dbraw/zinc/26/90/98/864269098.db2.gz YWZGYJVALZTBEM-KBXCAEBGSA-N 1 3 390.597 3.843 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)CC1 ZINC000480462701 864698645 /nfs/dbraw/zinc/69/86/45/864698645.db2.gz CVNJJOQEDSUGAL-SQJMNOBHSA-N 1 3 395.591 3.548 20 0 GHADHO CC(C)n1cc(CNCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000608060679 864952335 /nfs/dbraw/zinc/95/23/35/864952335.db2.gz ZZYBACFFAMSHTM-UHFFFAOYSA-N 1 3 395.473 3.524 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000667781056 865523165 /nfs/dbraw/zinc/52/31/65/865523165.db2.gz LTGLCRVSYNOJCD-UHFFFAOYSA-N 1 3 380.536 3.844 20 0 GHADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000608684919 865555834 /nfs/dbraw/zinc/55/58/34/865555834.db2.gz CNZZAKSTQQRWKW-FCHUYYIVSA-N 1 3 386.584 3.729 20 0 GHADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000608684919 865555838 /nfs/dbraw/zinc/55/58/38/865555838.db2.gz CNZZAKSTQQRWKW-FCHUYYIVSA-N 1 3 386.584 3.729 20 0 GHADHO C[C@H]([NH2+]C1(CNC(=O)Nc2cnc3c(c2)CNCC3)CCCC1)c1ccccc1 ZINC000667795991 865650927 /nfs/dbraw/zinc/65/09/27/865650927.db2.gz XPVKAHRTVQJTIJ-KRWDZBQOSA-N 1 3 393.535 3.512 20 0 GHADHO C[NH+]1CCC(N2CC[C@H](Nc3nc(C(F)F)nc4ccc(Cl)cc43)C2)CC1 ZINC000665700908 865760207 /nfs/dbraw/zinc/76/02/07/865760207.db2.gz OAYYLLCWKQWZPN-ZDUSSCGKSA-N 1 3 395.885 3.801 20 0 GHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000475496014 866041455 /nfs/dbraw/zinc/04/14/55/866041455.db2.gz NVXWWLSZMKRYHS-CAADTVGGSA-N 1 3 389.543 3.703 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000729580994 866197456 /nfs/dbraw/zinc/19/74/56/866197456.db2.gz LCFDKPYOXRZUEU-HSZRJFAPSA-N 1 3 394.563 3.727 20 0 GHADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475548134 866236605 /nfs/dbraw/zinc/23/66/05/866236605.db2.gz AUTAFVPXWVDXPM-HSZRJFAPSA-N 1 3 386.499 3.594 20 0 GHADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475548134 866236620 /nfs/dbraw/zinc/23/66/20/866236620.db2.gz AUTAFVPXWVDXPM-HSZRJFAPSA-N 1 3 386.499 3.594 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)(N2CCCCC2)CC1 ZINC000534419986 866765310 /nfs/dbraw/zinc/76/53/10/866765310.db2.gz AEOFGHUWSZLVES-PCCBWWKXSA-N 1 3 375.601 3.659 20 0 GHADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000153694117 867029665 /nfs/dbraw/zinc/02/96/65/867029665.db2.gz UJDULWDORRSABP-UKILVPOCSA-N 1 3 393.575 3.914 20 0 GHADHO CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553255500 867060788 /nfs/dbraw/zinc/06/07/88/867060788.db2.gz IEMXYSKFTPKQEX-UHFFFAOYSA-N 1 3 398.016 3.946 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000535018506 867939822 /nfs/dbraw/zinc/93/98/22/867939822.db2.gz KWLWPDVIRBOTOF-WMZHIEFXSA-N 1 3 398.595 3.776 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000155672223 868020274 /nfs/dbraw/zinc/02/02/74/868020274.db2.gz HSALBOVPBPZFQD-YOEHRIQHSA-N 1 3 398.414 3.602 20 0 GHADHO C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000155972552 868204480 /nfs/dbraw/zinc/20/44/80/868204480.db2.gz HARFPTIZYLTBAW-OAHLLOKOSA-N 1 3 390.911 3.902 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000479886396 868683716 /nfs/dbraw/zinc/68/37/16/868683716.db2.gz GXFOXAIKSLIBDB-SQJMNOBHSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000479886396 868683720 /nfs/dbraw/zinc/68/37/20/868683720.db2.gz GXFOXAIKSLIBDB-SQJMNOBHSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000479886396 868683726 /nfs/dbraw/zinc/68/37/26/868683726.db2.gz GXFOXAIKSLIBDB-SQJMNOBHSA-N 1 3 393.575 3.519 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000535398460 868690584 /nfs/dbraw/zinc/69/05/84/868690584.db2.gz SAEKQORJZPOVBU-ZRBLBEILSA-N 1 3 392.547 3.568 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000480009697 868897196 /nfs/dbraw/zinc/89/71/96/868897196.db2.gz GFHFDWCQDWJUQE-MBSDFSHPSA-N 1 3 384.568 3.716 20 0 GHADHO C[C@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc(Br)o2)C[C@H](C)O1 ZINC000190834163 882282704 /nfs/dbraw/zinc/28/27/04/882282704.db2.gz OJYMGBGOQYVVGZ-GJZGRUSLSA-N 1 3 393.325 3.941 20 0 GHADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000524878512 869709372 /nfs/dbraw/zinc/70/93/72/869709372.db2.gz GRDBHOZRDYANBQ-QHAWAJNXSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000524878512 869709379 /nfs/dbraw/zinc/70/93/79/869709379.db2.gz GRDBHOZRDYANBQ-QHAWAJNXSA-N 1 3 386.584 3.555 20 0 GHADHO CCN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000446575573 870029363 /nfs/dbraw/zinc/02/93/63/870029363.db2.gz KDFBKPKUDLLCDN-JOCHJYFZSA-N 1 3 394.563 3.919 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)Nc2ccccc2CC[NH+](C)C)N(C)C)cc1 ZINC000446564019 870039745 /nfs/dbraw/zinc/03/97/45/870039745.db2.gz IRBKGGVNVOMNNR-JOCHJYFZSA-N 1 3 382.552 3.778 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000462799812 870117399 /nfs/dbraw/zinc/11/73/99/870117399.db2.gz YCBRJLHCPBKTRG-FGCOXFRFSA-N 1 3 385.596 3.509 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000248153365 870302388 /nfs/dbraw/zinc/30/23/88/870302388.db2.gz RBDAEJVHPXUFRD-UGKGYDQZSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000248153365 870302395 /nfs/dbraw/zinc/30/23/95/870302395.db2.gz RBDAEJVHPXUFRD-UGKGYDQZSA-N 1 3 397.950 3.814 20 0 GHADHO CC[N@H+](CCC1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1)CC1CC1 ZINC000538947467 870954932 /nfs/dbraw/zinc/95/49/32/870954932.db2.gz DBOLCNPAHROEQT-UHFFFAOYSA-N 1 3 375.601 3.754 20 0 GHADHO CC[N@@H+](CCC1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1)CC1CC1 ZINC000538947467 870954937 /nfs/dbraw/zinc/95/49/37/870954937.db2.gz DBOLCNPAHROEQT-UHFFFAOYSA-N 1 3 375.601 3.754 20 0 GHADHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538949931 870959171 /nfs/dbraw/zinc/95/91/71/870959171.db2.gz XLIHIOKHJAIQNL-FQEVSTJZSA-N 1 3 397.607 3.794 20 0 GHADHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538949931 870959180 /nfs/dbraw/zinc/95/91/80/870959180.db2.gz XLIHIOKHJAIQNL-FQEVSTJZSA-N 1 3 397.607 3.794 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001170438753 882463771 /nfs/dbraw/zinc/46/37/71/882463771.db2.gz USKHSXSWBZCPOC-NFBKMPQASA-N 1 3 388.552 3.559 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001170438753 882463776 /nfs/dbraw/zinc/46/37/76/882463776.db2.gz USKHSXSWBZCPOC-NFBKMPQASA-N 1 3 388.552 3.559 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463138034 870990031 /nfs/dbraw/zinc/99/00/31/870990031.db2.gz NXXBSVYOFFHDJG-SDUSCBPUSA-N 1 3 393.575 3.530 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000463138034 870990041 /nfs/dbraw/zinc/99/00/41/870990041.db2.gz NXXBSVYOFFHDJG-SDUSCBPUSA-N 1 3 393.575 3.530 20 0 GHADHO CN(C)Cc1cccc(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001169179154 871303507 /nfs/dbraw/zinc/30/35/07/871303507.db2.gz UDIBXWMMUNAQQQ-UHFFFAOYSA-N 1 3 379.548 3.780 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463277307 871314571 /nfs/dbraw/zinc/31/45/71/871314571.db2.gz CQDDTYSMIFVXKJ-FDTGPBLFSA-N 1 3 382.552 3.766 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463277307 871314590 /nfs/dbraw/zinc/31/45/90/871314590.db2.gz CQDDTYSMIFVXKJ-FDTGPBLFSA-N 1 3 382.552 3.766 20 0 GHADHO Cc1cc([C@@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)C2CC2)ccc1F ZINC000539201916 871492602 /nfs/dbraw/zinc/49/26/02/871492602.db2.gz BWCPRMOIHXVLKV-QFIPXVFZSA-N 1 3 383.511 3.666 20 0 GHADHO Cc1ccccc1NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821638 871849352 /nfs/dbraw/zinc/84/93/52/871849352.db2.gz JBCZJBLGXJNBRJ-LJQANCHMSA-N 1 3 380.536 3.956 20 0 GHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783672 871877879 /nfs/dbraw/zinc/87/78/79/871877879.db2.gz JTQOQZQHQBJJPJ-UPVQGACJSA-N 1 3 391.559 3.745 20 0 GHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783672 871877898 /nfs/dbraw/zinc/87/78/98/871877898.db2.gz JTQOQZQHQBJJPJ-UPVQGACJSA-N 1 3 391.559 3.745 20 0 GHADHO COC(=O)c1csc(-c2cccc(C[NH2+]C3CCN(C(C)(C)C)CC3)c2)n1 ZINC000477850913 872059488 /nfs/dbraw/zinc/05/94/88/872059488.db2.gz DNNHUDCEJNXGNJ-UHFFFAOYSA-N 1 3 387.549 3.949 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)ccc1OC ZINC000182483837 872445314 /nfs/dbraw/zinc/44/53/14/872445314.db2.gz PYNYIQNIIKYVML-KRWDZBQOSA-N 1 3 376.541 3.873 20 0 GHADHO CCCn1nc(C)c(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000093844188 872448382 /nfs/dbraw/zinc/44/83/82/872448382.db2.gz LZODUGQQBCUCDL-QZTJIDSGSA-N 1 3 376.589 3.621 20 0 GHADHO c1nc(C2CC2)sc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000134074514 882721016 /nfs/dbraw/zinc/72/10/16/882721016.db2.gz OYIGPQRUZJGCRI-UHFFFAOYSA-N 1 3 384.593 3.708 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000768932696 873700355 /nfs/dbraw/zinc/70/03/55/873700355.db2.gz PWFWRTJVXMQCKD-GOSISDBHSA-N 1 3 396.453 3.639 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000541762650 874227785 /nfs/dbraw/zinc/22/77/85/874227785.db2.gz UQYASLJZPPXZKY-UHFFFAOYSA-N 1 3 385.596 3.858 20 0 GHADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000464777773 874474679 /nfs/dbraw/zinc/47/46/79/874474679.db2.gz PDQKWKJOVWDKCD-WOJBJXKFSA-N 1 3 379.548 3.819 20 0 GHADHO Cn1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c(-c2ccc(F)cc2)n1 ZINC000449127355 874510709 /nfs/dbraw/zinc/51/07/09/874510709.db2.gz WKCCQHPKFFZQDI-FQEVSTJZSA-N 1 3 392.522 3.880 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2cc(F)cc3c2OCOC3)CC1 ZINC000449129102 874512021 /nfs/dbraw/zinc/51/20/21/874512021.db2.gz BNDOQUSJYGLUHR-GOSISDBHSA-N 1 3 398.522 3.920 20 0 GHADHO CCN1CC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542106827 874968794 /nfs/dbraw/zinc/96/87/94/874968794.db2.gz VQVGKPJQQSEERP-TZIWHRDSSA-N 1 3 381.486 3.703 20 0 GHADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465421233 882906178 /nfs/dbraw/zinc/90/61/78/882906178.db2.gz FTABEGNICQOJQN-OALUTQOASA-N 1 3 392.613 3.647 20 0 GHADHO C[C@@H](CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451330 875596987 /nfs/dbraw/zinc/59/69/87/875596987.db2.gz SVPIVDUSGHZLTO-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(C(F)(F)F)cc1 ZINC001201626010 875802206 /nfs/dbraw/zinc/80/22/06/875802206.db2.gz HTNDMOKENRHKRD-FQEVSTJZSA-N 1 3 378.438 3.952 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(C(F)(F)F)cc1 ZINC001201626010 875802216 /nfs/dbraw/zinc/80/22/16/875802216.db2.gz HTNDMOKENRHKRD-FQEVSTJZSA-N 1 3 378.438 3.952 20 0 GHADHO CC(C)[C@H](Cc1ccccc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000172754465 875901409 /nfs/dbraw/zinc/90/14/09/875901409.db2.gz GPNDDOLWFOZPDM-QFIPXVFZSA-N 1 3 385.596 3.568 20 0 GHADHO CC1CCN(CCC[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850422076 876904469 /nfs/dbraw/zinc/90/44/69/876904469.db2.gz DRLLNGFHXCUXIU-LJQANCHMSA-N 1 3 397.485 3.734 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786784144 876936426 /nfs/dbraw/zinc/93/64/26/876936426.db2.gz SCKKDAZACZCEFQ-SFHVURJKSA-N 1 3 378.520 3.663 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836329 876955760 /nfs/dbraw/zinc/95/57/60/876955760.db2.gz MZGCZHJNIQQLSR-YDHSSHFGSA-N 1 3 392.547 3.777 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836329 876955771 /nfs/dbraw/zinc/95/57/71/876955771.db2.gz MZGCZHJNIQQLSR-YDHSSHFGSA-N 1 3 392.547 3.777 20 0 GHADHO C[C@H](C[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000850516397 876987176 /nfs/dbraw/zinc/98/71/76/876987176.db2.gz FIGKSSCQGVDOND-QZTJIDSGSA-N 1 3 390.572 3.575 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000850517374 876988685 /nfs/dbraw/zinc/98/86/85/876988685.db2.gz ZMDTZSMXQRPSLA-IBGZPJMESA-N 1 3 392.547 3.771 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850574695 877039962 /nfs/dbraw/zinc/03/99/62/877039962.db2.gz IKQXYBSJHRFTSW-KNQAVFIVSA-N 1 3 392.547 3.607 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530207261 877296170 /nfs/dbraw/zinc/29/61/70/877296170.db2.gz CUSCJPBUJKYPAC-INIZCTEOSA-N 1 3 383.540 3.905 20 0 GHADHO CCOc1ccccc1NC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000137766561 877608680 /nfs/dbraw/zinc/60/86/80/877608680.db2.gz MKSAYANCGKBMAX-OAQYLSRUSA-N 1 3 395.547 3.868 20 0 GHADHO CCOc1ccccc1NC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000137766561 877608684 /nfs/dbraw/zinc/60/86/84/877608684.db2.gz MKSAYANCGKBMAX-OAQYLSRUSA-N 1 3 395.547 3.868 20 0 GHADHO C[C@H]1C[NH+](Cc2ccc(CNCc3ccc(Br)o3)cc2)C[C@H](C)O1 ZINC000237633563 877725669 /nfs/dbraw/zinc/72/56/69/877725669.db2.gz JGLKDTWDWGGXEV-GJZGRUSLSA-N 1 3 393.325 3.941 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)c1ccccc1 ZINC000451292300 877734982 /nfs/dbraw/zinc/73/49/82/877734982.db2.gz ASNJZTNBYWHIIO-OKZBNKHCSA-N 1 3 385.474 3.506 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551796074 877844646 /nfs/dbraw/zinc/84/46/46/877844646.db2.gz LJXAERLXWPYAPK-PMACEKPBSA-N 1 3 383.502 3.959 20 0 GHADHO C[N@H+](C[C@H](O)C1CCCCC1)[C@H]1CCCN(C[C@H](O)C2CCCCC2)CC1 ZINC000530548092 878034534 /nfs/dbraw/zinc/03/45/34/878034534.db2.gz JUSHMTFVIQEJCL-VABKMULXSA-N 1 3 380.617 3.655 20 0 GHADHO C[N@@H+](C[C@H](O)C1CCCCC1)[C@H]1CCCN(C[C@H](O)C2CCCCC2)CC1 ZINC000530548092 878034550 /nfs/dbraw/zinc/03/45/50/878034550.db2.gz JUSHMTFVIQEJCL-VABKMULXSA-N 1 3 380.617 3.655 20 0 GHADHO CN(C[C@H](O)C1CCCCC1)[C@H]1CCC[N@H+](C[C@H](O)C2CCCCC2)CC1 ZINC000530548092 878034572 /nfs/dbraw/zinc/03/45/72/878034572.db2.gz JUSHMTFVIQEJCL-VABKMULXSA-N 1 3 380.617 3.655 20 0 GHADHO CN(C[C@H](O)C1CCCCC1)[C@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)CC1 ZINC000530548092 878034591 /nfs/dbraw/zinc/03/45/91/878034591.db2.gz JUSHMTFVIQEJCL-VABKMULXSA-N 1 3 380.617 3.655 20 0 GHADHO CCn1cccc(CN[C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)c1=O ZINC000788608845 878167022 /nfs/dbraw/zinc/16/70/22/878167022.db2.gz PUCPVHXYSBTFHC-GOSISDBHSA-N 1 3 383.536 3.714 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(N4CCCC4)nc2)C3)cc1 ZINC000245660174 878313841 /nfs/dbraw/zinc/31/38/41/878313841.db2.gz FLDBNMZKRAZSGI-WBDAEOGXSA-N 1 3 376.548 3.967 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001183186970 912337534 /nfs/dbraw/zinc/33/75/34/912337534.db2.gz CRWOEVDSAXIAKX-QKNQBKEWSA-N 1 3 385.552 3.954 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001183186970 912337573 /nfs/dbraw/zinc/33/75/73/912337573.db2.gz CRWOEVDSAXIAKX-QKNQBKEWSA-N 1 3 385.552 3.954 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(CCN2CCCC2)c2ccccc2)CC1 ZINC000530969093 878849250 /nfs/dbraw/zinc/84/92/50/878849250.db2.gz JWRVDOJNIAQVEJ-UHFFFAOYSA-N 1 3 392.547 3.735 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H](c3ccccc3)C3CC3)c2)C1 ZINC000246112330 879003723 /nfs/dbraw/zinc/00/37/23/879003723.db2.gz PUKYNQRLLQQTOC-PKTZIBPZSA-N 1 3 377.532 3.625 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H](c3ccccc3)C3CC3)c2)C1 ZINC000246112330 879003737 /nfs/dbraw/zinc/00/37/37/879003737.db2.gz PUKYNQRLLQQTOC-PKTZIBPZSA-N 1 3 377.532 3.625 20 0 GHADHO CCCCCCN(C)CC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000111559318 879255106 /nfs/dbraw/zinc/25/51/06/879255106.db2.gz PIZOWBYWJQDEDX-FQEVSTJZSA-N 1 3 387.568 3.603 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000538397794 879420122 /nfs/dbraw/zinc/42/01/22/879420122.db2.gz BRHFVELYIVIQPP-HNNXBMFYSA-N 1 3 394.357 3.874 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246580464 879698758 /nfs/dbraw/zinc/69/87/58/879698758.db2.gz ZHWJHFTVVTXKGZ-MZKRTTBSSA-N 1 3 399.554 3.513 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246580464 879698767 /nfs/dbraw/zinc/69/87/67/879698767.db2.gz ZHWJHFTVVTXKGZ-MZKRTTBSSA-N 1 3 399.554 3.513 20 0 GHADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H](C)C1 ZINC000246959752 879862983 /nfs/dbraw/zinc/86/29/83/879862983.db2.gz HTYWFVFNTJUXCY-INWMFGNUSA-N 1 3 390.881 3.652 20 0 GHADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H](C)C1 ZINC000246959752 879863002 /nfs/dbraw/zinc/86/30/02/879863002.db2.gz HTYWFVFNTJUXCY-INWMFGNUSA-N 1 3 390.881 3.652 20 0 GHADHO CC1(C)CN(C[C@@H](O)CC(F)(F)F)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453005032 880319052 /nfs/dbraw/zinc/31/90/52/880319052.db2.gz ATXCFZTVSGTROS-OALUTQOASA-N 1 3 384.486 3.922 20 0 GHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc4c(c3)COC(C)(C)O4)CC2)C[C@H](C)O1 ZINC000186310069 880850605 /nfs/dbraw/zinc/85/06/05/880850605.db2.gz MUKXTLSEKULJQH-ROUUACIJSA-N 1 3 388.552 3.653 20 0 GHADHO C[C@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000792279558 881010663 /nfs/dbraw/zinc/01/06/63/881010663.db2.gz CYZXPWRQAWSWAU-PZJWPPBQSA-N 1 3 394.563 3.581 20 0 GHADHO CCCc1cccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000187225951 881110391 /nfs/dbraw/zinc/11/03/91/881110391.db2.gz RCPCAFQYLHEKQM-HSZRJFAPSA-N 1 3 379.548 3.626 20 0 GHADHO CCCc1cccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000187225951 881110402 /nfs/dbraw/zinc/11/04/02/881110402.db2.gz RCPCAFQYLHEKQM-HSZRJFAPSA-N 1 3 379.548 3.626 20 0 GHADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cccnc2-n2cccn2)ccc1OC ZINC000182354659 883215814 /nfs/dbraw/zinc/21/58/14/883215814.db2.gz STJDJFWGXQIFKC-GOSISDBHSA-N 1 3 393.535 3.969 20 0 GHADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001168158006 883410917 /nfs/dbraw/zinc/41/09/17/883410917.db2.gz BNBBWWQGBPFEAR-UZKOGDIHSA-N 1 3 389.559 3.617 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455515 912711182 /nfs/dbraw/zinc/71/11/82/912711182.db2.gz NZHFUKOYQZDVSH-YOEHRIQHSA-N 1 3 378.442 3.797 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)N2CCCC2)cc1 ZINC000194686085 883893917 /nfs/dbraw/zinc/89/39/17/883893917.db2.gz CQDFAUCNTODUKV-HSZRJFAPSA-N 1 3 398.595 3.649 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)cc1CN1CCCCC1 ZINC000806179864 884461111 /nfs/dbraw/zinc/46/11/11/884461111.db2.gz XAHUEPDECJNFCY-PGRDOPGGSA-N 1 3 383.536 3.503 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000898102527 884607649 /nfs/dbraw/zinc/60/76/49/884607649.db2.gz VKAQPXQNKIOVED-KGWSWXIGSA-N 1 3 399.579 3.932 20 0 GHADHO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000130477141 884678296 /nfs/dbraw/zinc/67/82/96/884678296.db2.gz AVLNLBJANWUROB-MRXNPFEDSA-N 1 3 388.943 3.736 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1CN(C)C)c1cccc(OC)c1 ZINC000498599134 884995071 /nfs/dbraw/zinc/99/50/71/884995071.db2.gz DDIQIBUMMARFGD-QFIPXVFZSA-N 1 3 383.536 3.570 20 0 GHADHO CCc1nc2cc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)ccc2n1C1CC1 ZINC000655765407 885209988 /nfs/dbraw/zinc/20/99/88/885209988.db2.gz FBSRBVYDFPWDND-HXUWFJFHSA-N 1 3 382.552 3.667 20 0 GHADHO CNc1cc(Cl)cnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170526362 885492860 /nfs/dbraw/zinc/49/28/60/885492860.db2.gz TTZDUWGHAWHYFE-UHFFFAOYSA-N 1 3 383.927 3.686 20 0 GHADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000429551829 886732600 /nfs/dbraw/zinc/73/26/00/886732600.db2.gz GKRRIFXOXGSBID-QFIPXVFZSA-N 1 3 379.548 3.698 20 0 GHADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000429551829 886732608 /nfs/dbraw/zinc/73/26/08/886732608.db2.gz GKRRIFXOXGSBID-QFIPXVFZSA-N 1 3 379.548 3.698 20 0 GHADHO C[C@H](NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000865524850 888408488 /nfs/dbraw/zinc/40/84/88/888408488.db2.gz OMTKIFSZKBJQCN-XHSDSOJGSA-N 1 3 389.531 3.778 20 0 GHADHO C[C@H](NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524850 888408494 /nfs/dbraw/zinc/40/84/94/888408494.db2.gz OMTKIFSZKBJQCN-XHSDSOJGSA-N 1 3 389.531 3.778 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000459381902 888724812 /nfs/dbraw/zinc/72/48/12/888724812.db2.gz VUVDOTMQLNQUQU-FQEVSTJZSA-N 1 3 381.564 3.786 20 0 GHADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)CO[C@H]1CCCc2ccccc21 ZINC000644513821 913327651 /nfs/dbraw/zinc/32/76/51/913327651.db2.gz VJSUYJKSMBHHRV-ZCYQVOJMSA-N 1 3 394.559 3.827 20 0 GHADHO CCOc1ccc(OC[C@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000644569835 913373145 /nfs/dbraw/zinc/37/31/45/913373145.db2.gz FGOJYKQLEUSWHZ-DENIHFKCSA-N 1 3 398.547 3.640 20 0 GHADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)CCCO2 ZINC000126609344 890612183 /nfs/dbraw/zinc/61/21/83/890612183.db2.gz HIQROCYMESDBBV-QFIPXVFZSA-N 1 3 394.563 3.960 20 0 GHADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccccc3C[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC000497400032 891500772 /nfs/dbraw/zinc/50/07/72/891500772.db2.gz HYYVNIVQGWYUTE-XXBNENTESA-N 1 3 398.595 3.687 20 0 GHADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccccc3C[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC000497400032 891500778 /nfs/dbraw/zinc/50/07/78/891500778.db2.gz HYYVNIVQGWYUTE-XXBNENTESA-N 1 3 398.595 3.687 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000261774727 892107896 /nfs/dbraw/zinc/10/78/96/892107896.db2.gz JBKIFRDSRDMTMY-YJBOKZPZSA-N 1 3 385.474 3.594 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)[C@H](C)C1 ZINC000128782206 892416238 /nfs/dbraw/zinc/41/62/38/892416238.db2.gz RLOYLQARMMUYQB-HJNYFJLDSA-N 1 3 386.584 3.504 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)[C@H](C)C1 ZINC000128782206 892416244 /nfs/dbraw/zinc/41/62/44/892416244.db2.gz RLOYLQARMMUYQB-HJNYFJLDSA-N 1 3 386.584 3.504 20 0 GHADHO CCCC[C@@H](N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497909608 892712094 /nfs/dbraw/zinc/71/20/94/892712094.db2.gz WXYUUWCRJKXULD-GOSISDBHSA-N 1 3 385.474 3.646 20 0 GHADHO CCCC[C@@H](N)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497909608 892712098 /nfs/dbraw/zinc/71/20/98/892712098.db2.gz WXYUUWCRJKXULD-GOSISDBHSA-N 1 3 385.474 3.646 20 0 GHADHO COc1cc(OC)cc(OCC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000508703036 892748020 /nfs/dbraw/zinc/74/80/20/892748020.db2.gz XCMVETCHRKRBCC-QUCCMNQESA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508703036 892748027 /nfs/dbraw/zinc/74/80/27/892748027.db2.gz XCMVETCHRKRBCC-QUCCMNQESA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508703036 892748033 /nfs/dbraw/zinc/74/80/33/892748033.db2.gz XCMVETCHRKRBCC-QUCCMNQESA-N 1 3 384.520 3.583 20 0 GHADHO C[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508722372 892976729 /nfs/dbraw/zinc/97/67/29/892976729.db2.gz XLPYRLIEADOOSZ-WMZOPIPTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1ncccc1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722372 892976734 /nfs/dbraw/zinc/97/67/34/892976734.db2.gz XLPYRLIEADOOSZ-WMZOPIPTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1ncccc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722372 892976744 /nfs/dbraw/zinc/97/67/44/892976744.db2.gz XLPYRLIEADOOSZ-WMZOPIPTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000645192191 913742415 /nfs/dbraw/zinc/74/24/15/913742415.db2.gz JQUUVRCSQJIOKS-QGZVFWFLSA-N 1 3 382.483 3.803 20 0 GHADHO C[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1nc(Br)ccc1F ZINC000925301324 893478047 /nfs/dbraw/zinc/47/80/47/893478047.db2.gz SLSPBYGBYSYQBA-ZDUSSCGKSA-N 1 3 393.304 3.945 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000536708491 893610823 /nfs/dbraw/zinc/61/08/23/893610823.db2.gz FJOUTBKMQNXYEE-GOSISDBHSA-N 1 3 385.531 3.883 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000536708491 893610827 /nfs/dbraw/zinc/61/08/27/893610827.db2.gz FJOUTBKMQNXYEE-GOSISDBHSA-N 1 3 385.531 3.883 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cc4ccccc4o3)CC2)CC1 ZINC000563383054 893683385 /nfs/dbraw/zinc/68/33/85/893683385.db2.gz BLDRPBNIKKAGDD-UHFFFAOYSA-N 1 3 383.536 3.588 20 0 GHADHO CN(C)C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000563690929 894077919 /nfs/dbraw/zinc/07/79/19/894077919.db2.gz CKKNCHZLWOXWBI-SFHVURJKSA-N 1 3 390.890 3.549 20 0 GHADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1c2ccccc2CCc2ccccc21 ZINC000563957780 894372276 /nfs/dbraw/zinc/37/22/76/894372276.db2.gz SKIYSLATAIDQFB-YADHBBJMSA-N 1 3 389.543 3.771 20 0 GHADHO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249567 894931351 /nfs/dbraw/zinc/93/13/51/894931351.db2.gz URPNAYUYJZDIIF-ZWKOTPCHSA-N 1 3 375.582 3.608 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000565827538 895915643 /nfs/dbraw/zinc/91/56/43/895915643.db2.gz AGVFRRGNLHYTMB-OFNKIYASSA-N 1 3 392.478 3.665 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902553 895953836 /nfs/dbraw/zinc/95/38/36/895953836.db2.gz TXRFCHDFWKRWKH-MZNJEOGPSA-N 1 3 391.515 3.812 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818979720 896300482 /nfs/dbraw/zinc/30/04/82/896300482.db2.gz ACCKUKAXOCEBRM-GOSISDBHSA-N 1 3 387.337 3.506 20 0 GHADHO CN(c1ccccc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000566534911 896359193 /nfs/dbraw/zinc/35/91/93/896359193.db2.gz SLYRZJUWNYCEQU-PKTZIBPZSA-N 1 3 383.580 3.751 20 0 GHADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000567895289 897475828 /nfs/dbraw/zinc/47/58/28/897475828.db2.gz CAUVOGYDICCZHE-FCHUYYIVSA-N 1 3 377.532 3.541 20 0 GHADHO COc1cc(CN2CCC(CC[NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC000568006588 897531041 /nfs/dbraw/zinc/53/10/41/897531041.db2.gz KBDHDKAWZAGXHU-UHFFFAOYSA-N 1 3 384.520 3.844 20 0 GHADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1cc(F)ccc1F ZINC000568200962 897670741 /nfs/dbraw/zinc/67/07/41/897670741.db2.gz DMXNNQAESVUPRL-NRFANRHFSA-N 1 3 393.522 3.728 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(c4ccccc4C)CC3)CC2)CC1 ZINC000568291979 897717948 /nfs/dbraw/zinc/71/79/48/897717948.db2.gz ZNKXJZCHLCKYSN-UHFFFAOYSA-N 1 3 397.607 3.897 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@H]3c3ccccc3)CC2)CC1 ZINC000568291254 897718564 /nfs/dbraw/zinc/71/85/64/897718564.db2.gz DGULWVXJRUTURT-QHCPKHFHSA-N 1 3 383.580 3.937 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)c(SC)c(F)c3)CC2)CC1 ZINC000568530685 897914440 /nfs/dbraw/zinc/91/44/40/897914440.db2.gz SXJCZZVSWGIFIA-UHFFFAOYSA-N 1 3 397.535 3.822 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000568624559 897992430 /nfs/dbraw/zinc/99/24/30/897992430.db2.gz OWPMXWQPESQEIH-FDDCHVKYSA-N 1 3 377.532 3.564 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000568624559 897992443 /nfs/dbraw/zinc/99/24/43/897992443.db2.gz OWPMXWQPESQEIH-FDDCHVKYSA-N 1 3 377.532 3.564 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4cc(C)cc(C)c4)C3)CC2)CC1 ZINC000568647778 898005816 /nfs/dbraw/zinc/00/58/16/898005816.db2.gz UZJZXSILVBOONV-QFIPXVFZSA-N 1 3 397.607 3.816 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cc(Cl)ccc3F)CC2)CC1 ZINC000568661307 898016114 /nfs/dbraw/zinc/01/61/14/898016114.db2.gz MQNBWPVEFCRSJM-UHFFFAOYSA-N 1 3 395.950 3.634 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(-c4ncco4)ccc3C)CC2)CC1 ZINC000569235714 898453335 /nfs/dbraw/zinc/45/33/35/898453335.db2.gz PLDUQZAGPIOMNZ-UHFFFAOYSA-N 1 3 396.535 3.785 20 0 GHADHO CC(CN1CCC(C2CCOCC2)CC1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000573785890 900639586 /nfs/dbraw/zinc/63/95/86/900639586.db2.gz ZTTYVNOHIRUZTH-UHFFFAOYSA-N 1 3 392.628 3.900 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000886780194 901269734 /nfs/dbraw/zinc/26/97/34/901269734.db2.gz DQRRUMLHSCUKJO-OAHLLOKOSA-N 1 3 389.531 3.731 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000886780194 901269742 /nfs/dbraw/zinc/26/97/42/901269742.db2.gz DQRRUMLHSCUKJO-OAHLLOKOSA-N 1 3 389.531 3.731 20 0 GHADHO COC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)[C@@H]1CCCOC1 ZINC000886789327 901276241 /nfs/dbraw/zinc/27/62/41/901276241.db2.gz SEMFNOLZTOXABW-DWLFOUALSA-N 1 3 390.568 3.773 20 0 GHADHO COc1cc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccc1SC ZINC000090525796 901433914 /nfs/dbraw/zinc/43/39/14/901433914.db2.gz USDPIIVTGVKICV-LZQZEXGQSA-N 1 3 378.582 3.836 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H](CO)Cc3cc(F)c(F)c(F)c3)CC2)C1 ZINC000576340693 901962404 /nfs/dbraw/zinc/96/24/04/901962404.db2.gz OSORUZRTSVNDBT-AYBZRNKSSA-N 1 3 398.513 3.888 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000778974680 902392446 /nfs/dbraw/zinc/39/24/46/902392446.db2.gz GFSPLXXXHYNHKM-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccccc4)C[C@H]3C)CC2)CC1 ZINC000577229982 902602384 /nfs/dbraw/zinc/60/23/84/902602384.db2.gz VADYRZYOFVCVAV-OFNKIYASSA-N 1 3 397.607 3.977 20 0 GHADHO CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577280364 902642682 /nfs/dbraw/zinc/64/26/82/902642682.db2.gz ORPQFRLOEJEEJF-YADHBBJMSA-N 1 3 396.579 3.557 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCCc4ccc(OC)cc43)CC2)CC1 ZINC000578024308 903454815 /nfs/dbraw/zinc/45/48/15/903454815.db2.gz UOIDOHUBHMPRLE-UHFFFAOYSA-N 1 3 399.579 3.561 20 0 GHADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)Cc1ccccc1 ZINC001146747953 903600673 /nfs/dbraw/zinc/60/06/73/903600673.db2.gz FSPXNLGRKAZNQR-ZJSXRUAMSA-N 1 3 393.575 3.578 20 0 GHADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)Cc1ccccc1 ZINC001146747953 903600678 /nfs/dbraw/zinc/60/06/78/903600678.db2.gz FSPXNLGRKAZNQR-ZJSXRUAMSA-N 1 3 393.575 3.578 20 0 GHADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)Cc1ccccc1 ZINC001146747950 903600836 /nfs/dbraw/zinc/60/08/36/903600836.db2.gz FSPXNLGRKAZNQR-QPPBQGQZSA-N 1 3 393.575 3.578 20 0 GHADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)Cc1ccccc1 ZINC001146747950 903600841 /nfs/dbraw/zinc/60/08/41/903600841.db2.gz FSPXNLGRKAZNQR-QPPBQGQZSA-N 1 3 393.575 3.578 20 0 GHADHO CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000579655883 904777896 /nfs/dbraw/zinc/77/78/96/904777896.db2.gz NAVSTBDCEVAUEJ-XZOQPEGZSA-N 1 3 378.564 3.880 20 0 GHADHO CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000579655883 904777899 /nfs/dbraw/zinc/77/78/99/904777899.db2.gz NAVSTBDCEVAUEJ-XZOQPEGZSA-N 1 3 378.564 3.880 20 0 GHADHO Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]CC1CCN(Cc3cccnc3)CC1)CC2 ZINC001171522449 904801114 /nfs/dbraw/zinc/80/11/14/904801114.db2.gz WJXAUNNHCKKGKR-SFHVURJKSA-N 1 3 389.465 3.858 20 0 GHADHO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@@H]12 ZINC001171638348 904927439 /nfs/dbraw/zinc/92/74/39/904927439.db2.gz UEZXLUPEUACHJI-RDGATRHJSA-N 1 3 397.607 3.902 20 0 GHADHO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@@H]12 ZINC001171638348 904927447 /nfs/dbraw/zinc/92/74/47/904927447.db2.gz UEZXLUPEUACHJI-RDGATRHJSA-N 1 3 397.607 3.902 20 0 GHADHO CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001171875114 905078621 /nfs/dbraw/zinc/07/86/21/905078621.db2.gz CBECIBIAOHEWLR-ZCYQVOJMSA-N 1 3 393.575 3.893 20 0 GHADHO CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001171875114 905078641 /nfs/dbraw/zinc/07/86/41/905078641.db2.gz CBECIBIAOHEWLR-ZCYQVOJMSA-N 1 3 393.575 3.893 20 0 GHADHO CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001171875112 905079625 /nfs/dbraw/zinc/07/96/25/905079625.db2.gz CBECIBIAOHEWLR-NOZRDPDXSA-N 1 3 393.575 3.893 20 0 GHADHO CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001171875112 905079648 /nfs/dbraw/zinc/07/96/48/905079648.db2.gz CBECIBIAOHEWLR-NOZRDPDXSA-N 1 3 393.575 3.893 20 0 GHADHO CC1(C)C[C@@H](NCCNC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171981968 905235921 /nfs/dbraw/zinc/23/59/21/905235921.db2.gz FEQYHAINRDZTQZ-NRFANRHFSA-N 1 3 383.511 3.588 20 0 GHADHO CC1(C)C[C@@H](NCCNC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171981968 905235932 /nfs/dbraw/zinc/23/59/32/905235932.db2.gz FEQYHAINRDZTQZ-NRFANRHFSA-N 1 3 383.511 3.588 20 0 GHADHO O=C1NCc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cc21 ZINC001172073102 905278035 /nfs/dbraw/zinc/27/80/35/905278035.db2.gz OBTUAWRFMWEXRH-KOUNCHBCSA-N 1 3 375.516 3.605 20 0 GHADHO CC(C)C(=O)NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076185 905286453 /nfs/dbraw/zinc/28/64/53/905286453.db2.gz WOENDOVLBIYZJF-NUNAXRQHSA-N 1 3 383.580 3.809 20 0 GHADHO CC(C)C(=O)NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076185 905286472 /nfs/dbraw/zinc/28/64/72/905286472.db2.gz WOENDOVLBIYZJF-NUNAXRQHSA-N 1 3 383.580 3.809 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3nnc(-c4cccc(F)c4)n3c1)C2 ZINC001172110617 905361073 /nfs/dbraw/zinc/36/10/73/905361073.db2.gz KYFFDQHUEVNKMO-OWZKRDHZSA-N 1 3 379.483 3.640 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCc1cnc(NC(=O)OC(C)(C)C)s1)C2 ZINC001172118607 905374144 /nfs/dbraw/zinc/37/41/44/905374144.db2.gz SCOQGAPSYIGDEZ-QDMKHBRRSA-N 1 3 380.558 3.638 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCc1cnc(NC(=O)OC(C)(C)C)s1)C2 ZINC001172118607 905374154 /nfs/dbraw/zinc/37/41/54/905374154.db2.gz SCOQGAPSYIGDEZ-QDMKHBRRSA-N 1 3 380.558 3.638 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000178256448 906316697 /nfs/dbraw/zinc/31/66/97/906316697.db2.gz ULYSVJUHDABBIX-INIZCTEOSA-N 1 3 377.960 3.541 20 0 GHADHO CC(=O)Oc1ccc(C2CCC(N3CCC([NH3+])(c4cccnc4)CC3)CC2)cc1 ZINC001173786717 906711027 /nfs/dbraw/zinc/71/10/27/906711027.db2.gz PJFZFPYUALPCRL-UHFFFAOYSA-N 1 3 393.531 3.983 20 0 GHADHO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)s1 ZINC000181411477 906995001 /nfs/dbraw/zinc/99/50/01/906995001.db2.gz IZQRVUFMQTWDIT-PXNSSMCTSA-N 1 3 387.593 3.856 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000182264534 907173481 /nfs/dbraw/zinc/17/34/81/907173481.db2.gz LJUQEIOWUUPQSG-UNMCSNQZSA-N 1 3 378.516 3.789 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000182264534 907173490 /nfs/dbraw/zinc/17/34/90/907173490.db2.gz LJUQEIOWUUPQSG-UNMCSNQZSA-N 1 3 378.516 3.789 20 0 GHADHO COc1ccc([C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)cc1 ZINC001175460743 907583912 /nfs/dbraw/zinc/58/39/12/907583912.db2.gz DLEXHJNHNUHZRG-DEOSSOPVSA-N 1 3 379.548 3.828 20 0 GHADHO CN1CCC=C(N(c2ccccc2N)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001175579397 907644628 /nfs/dbraw/zinc/64/46/28/907644628.db2.gz VJLLWVAAYVOGSY-UHFFFAOYSA-N 1 3 376.548 3.959 20 0 GHADHO CCN1CCN(c2ccc(Nc3cccc4c3OCC[C@H]4[NH+](C)C)cc2)CC1 ZINC001175782619 907743109 /nfs/dbraw/zinc/74/31/09/907743109.db2.gz SITGBKNWAAQQTL-JOCHJYFZSA-N 1 3 380.536 3.957 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000633953438 908555243 /nfs/dbraw/zinc/55/52/43/908555243.db2.gz JMFHOJUCNBPYIQ-UHFFFAOYSA-N 1 3 383.536 3.975 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc2cnccc2c1 ZINC001178971699 909339945 /nfs/dbraw/zinc/33/99/45/909339945.db2.gz LSHGKMQJBJQQDR-DNQXCXABSA-N 1 3 375.516 3.862 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc2cnccc2c1 ZINC001178971699 909339960 /nfs/dbraw/zinc/33/99/60/909339960.db2.gz LSHGKMQJBJQQDR-DNQXCXABSA-N 1 3 375.516 3.862 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cc(C)nc2c1CCCC2 ZINC001178972363 909340382 /nfs/dbraw/zinc/34/03/82/909340382.db2.gz SDLNKRSSZGVPSA-RCZVLFRGSA-N 1 3 393.575 3.896 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cc(C)nc2c1CCCC2 ZINC001178972363 909340399 /nfs/dbraw/zinc/34/03/99/909340399.db2.gz SDLNKRSSZGVPSA-RCZVLFRGSA-N 1 3 393.575 3.896 20 0 GHADHO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000268709232 909980537 /nfs/dbraw/zinc/98/05/37/909980537.db2.gz FYNAESGCKZIDBX-LJQANCHMSA-N 1 3 375.520 3.625 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000268826374 910034549 /nfs/dbraw/zinc/03/45/49/910034549.db2.gz ZEYCBFWEHUTMST-GCJKJVERSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268826374 910034559 /nfs/dbraw/zinc/03/45/59/910034559.db2.gz ZEYCBFWEHUTMST-GCJKJVERSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268826374 910034571 /nfs/dbraw/zinc/03/45/71/910034571.db2.gz ZEYCBFWEHUTMST-GCJKJVERSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1ccncc1[C@H](C)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000271341056 910867046 /nfs/dbraw/zinc/86/70/46/910867046.db2.gz CDVIHPZMEVSWSA-IBGZPJMESA-N 1 3 383.536 3.730 20 0 GHADHO Cc1ccncc1[C@H](C)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000271341056 910867055 /nfs/dbraw/zinc/86/70/55/910867055.db2.gz CDVIHPZMEVSWSA-IBGZPJMESA-N 1 3 383.536 3.730 20 0 GHADHO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975474 915457805 /nfs/dbraw/zinc/45/78/05/915457805.db2.gz ATMYUVUOHWZEKP-BZUAXINKSA-N 1 3 383.458 3.744 20 0 GHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000293563419 916269708 /nfs/dbraw/zinc/26/97/08/916269708.db2.gz CZENVAZWUDBXEB-OTWHNJEPSA-N 1 3 389.540 3.573 20 0 GHADHO CC(C)(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N1CCCCC1 ZINC001149057066 920792806 /nfs/dbraw/zinc/79/28/06/920792806.db2.gz LPXRZQIZEKTGHE-OAQYLSRUSA-N 1 3 383.580 3.669 20 0 GHADHO CC(C)(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N1CCCCC1 ZINC001149057066 920792823 /nfs/dbraw/zinc/79/28/23/920792823.db2.gz LPXRZQIZEKTGHE-OAQYLSRUSA-N 1 3 383.580 3.669 20 0 GHADHO COc1cc(CN2CCCC3(CC[NH+](C)CC3)C2)cc(OC)c1OCC(F)F ZINC000367355616 922058205 /nfs/dbraw/zinc/05/82/05/922058205.db2.gz DPEFNBZDLIIHOH-UHFFFAOYSA-N 1 3 398.494 3.656 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592157 922218962 /nfs/dbraw/zinc/21/89/62/922218962.db2.gz BIBLXZJGZYMSGH-ZBQZNYHESA-N 1 3 394.441 3.935 20 0 GHADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902504210 922243955 /nfs/dbraw/zinc/24/39/55/922243955.db2.gz MPAKQIUSBVAPSF-IJHUGTEESA-N 1 3 391.515 3.823 20 0 GHADHO CCn1nc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c2ccccc21 ZINC000368367024 922625806 /nfs/dbraw/zinc/62/58/06/922625806.db2.gz KWTJWSGBYDIQCE-UHFFFAOYSA-N 1 3 397.611 3.684 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903125527 922793560 /nfs/dbraw/zinc/79/35/60/922793560.db2.gz MZYICGVZPCLVFX-YTFSRNRJSA-N 1 3 390.543 3.651 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000903767939 923269085 /nfs/dbraw/zinc/26/90/85/923269085.db2.gz JRAKCJNQVRLZIU-LSWJPFSZSA-N 1 3 399.510 3.757 20 0 GHADHO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000678261115 924694055 /nfs/dbraw/zinc/69/40/55/924694055.db2.gz VKRDDESBOXUNQI-OAQYLSRUSA-N 1 3 377.532 3.533 20 0 GHADHO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000678261115 924694060 /nfs/dbraw/zinc/69/40/60/924694060.db2.gz VKRDDESBOXUNQI-OAQYLSRUSA-N 1 3 377.532 3.533 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000678590028 924832527 /nfs/dbraw/zinc/83/25/27/924832527.db2.gz QSKISZCFIPPGIE-QFIPXVFZSA-N 1 3 399.485 3.568 20 0 GHADHO Cc1ccc(-c2nc(CN(C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000678722304 924895766 /nfs/dbraw/zinc/89/57/66/924895766.db2.gz ZYLOPONJPJJGQO-OAQYLSRUSA-N 1 3 384.593 3.719 20 0 GHADHO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000678772543 924916068 /nfs/dbraw/zinc/91/60/68/924916068.db2.gz APGRDFAWCDAUCG-NTKDMRAZSA-N 1 3 391.559 3.925 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927464 924975198 /nfs/dbraw/zinc/97/51/98/924975198.db2.gz JRQFYWSKUVLRBI-NFBKMPQASA-N 1 3 395.522 3.690 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927464 924975208 /nfs/dbraw/zinc/97/52/08/924975208.db2.gz JRQFYWSKUVLRBI-NFBKMPQASA-N 1 3 395.522 3.690 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000373141208 925884342 /nfs/dbraw/zinc/88/43/42/925884342.db2.gz UMFLXHPJGPMPAL-WIYYLYMNSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000373141208 925884352 /nfs/dbraw/zinc/88/43/52/925884352.db2.gz UMFLXHPJGPMPAL-WIYYLYMNSA-N 1 3 376.504 3.779 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000411455430 926408655 /nfs/dbraw/zinc/40/86/55/926408655.db2.gz LRFUMRMKSJTFGV-HSZRJFAPSA-N 1 3 379.548 3.551 20 0 GHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751080481 928018400 /nfs/dbraw/zinc/01/84/00/928018400.db2.gz NOWXTDWVFFJBLV-XPPIMPSXSA-N 1 3 398.595 3.920 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)CC1 ZINC000758263259 929993146 /nfs/dbraw/zinc/99/31/46/929993146.db2.gz HUUQNMQIGRVGQC-UHFFFAOYSA-N 1 3 384.593 3.678 20 0 GHADHO COC(=O)c1ccccc1OCCNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469771277 930151739 /nfs/dbraw/zinc/15/17/39/930151739.db2.gz ZDFBJXHCGUORRQ-OALUTQOASA-N 1 3 396.531 3.598 20 0 GHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000470774041 930901093 /nfs/dbraw/zinc/90/10/93/930901093.db2.gz RBAAXAGJSNDCCL-UHFFFAOYSA-N 1 3 381.511 3.540 20 0 GHADHO COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1OCCO ZINC000547505566 931079625 /nfs/dbraw/zinc/07/96/25/931079625.db2.gz ZLHTXPQRBZNKRT-JQVVWYNYSA-N 1 3 398.547 3.628 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)CC2)CC1 ZINC000557475320 931457735 /nfs/dbraw/zinc/45/77/35/931457735.db2.gz FHDZDIDAMILOTN-HSZRJFAPSA-N 1 3 399.579 3.555 20 0 GHADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000925659418 931867357 /nfs/dbraw/zinc/86/73/57/931867357.db2.gz MTCJCLTUEDDPAX-FSSWDIPSSA-N 1 3 394.563 3.672 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184578 932555614 /nfs/dbraw/zinc/55/56/14/932555614.db2.gz YCOXPODXOGTWIC-SJORKVTESA-N 1 3 377.598 3.815 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000798480536 932664014 /nfs/dbraw/zinc/66/40/14/932664014.db2.gz WBXKOWKPONEMRQ-QHCPKHFHSA-N 1 3 380.536 3.782 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798480536 932664019 /nfs/dbraw/zinc/66/40/19/932664019.db2.gz WBXKOWKPONEMRQ-QHCPKHFHSA-N 1 3 380.536 3.782 20 0 GHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000777935395 934223791 /nfs/dbraw/zinc/22/37/91/934223791.db2.gz MHIUCXRSSYUUMV-HXUWFJFHSA-N 1 3 391.987 3.743 20 0 GHADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC001120469498 934466264 /nfs/dbraw/zinc/46/62/64/934466264.db2.gz YZHRUSBRADUHPQ-BVYCBKJFSA-N 1 3 380.532 3.729 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccccc1O2 ZINC001120559903 934473260 /nfs/dbraw/zinc/47/32/60/934473260.db2.gz YXPFYVMFWAKNQT-VQTJNVASSA-N 1 3 386.923 3.951 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1O2 ZINC001120559903 934473272 /nfs/dbraw/zinc/47/32/72/934473272.db2.gz YXPFYVMFWAKNQT-VQTJNVASSA-N 1 3 386.923 3.951 20 0 GHADHO Cc1cc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000562082634 934680527 /nfs/dbraw/zinc/68/05/27/934680527.db2.gz RPCCZJSTTUUUOF-HSZRJFAPSA-N 1 3 389.547 3.968 20 0 GHADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(CC[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000562191153 934752598 /nfs/dbraw/zinc/75/25/98/934752598.db2.gz CKUQOGJAFWARKT-RTBURBONSA-N 1 3 385.596 3.795 20 0 GHADHO C[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001625797060 1014176322 /nfs/dbraw/zinc/17/63/22/1014176322.db2.gz VZITULILXDUZDC-BHIFYINESA-N 1 3 399.623 3.814 20 0 GHADHO C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001625797060 1014176337 /nfs/dbraw/zinc/17/63/37/1014176337.db2.gz VZITULILXDUZDC-BHIFYINESA-N 1 3 399.623 3.814 20 0 GHADHO C[C@@H]1C[C@@H](CCN[C@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000545473500 1015913181 /nfs/dbraw/zinc/91/31/81/1015913181.db2.gz MICQQFUDTAQABN-NQSCKRDGSA-N 1 3 399.966 3.627 20 0 GHADHO C[C@@H]1C[C@@H](CCN[C@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000545473500 1015913185 /nfs/dbraw/zinc/91/31/85/1015913185.db2.gz MICQQFUDTAQABN-NQSCKRDGSA-N 1 3 399.966 3.627 20 0 GHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(Nc3ccncc3)cc2)c1 ZINC000469106064 1016488120 /nfs/dbraw/zinc/48/81/20/1016488120.db2.gz WNKIJTDUFJXERP-UHFFFAOYSA-N 1 3 388.515 3.760 20 0 GHADHO N[C@@H](CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC001220917166 1032187061 /nfs/dbraw/zinc/18/70/61/1032187061.db2.gz PGJRQUXDNFICSI-OALUTQOASA-N 1 3 397.485 3.866 20 0 GHADHO N[C@@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC001220917166 1032187083 /nfs/dbraw/zinc/18/70/83/1032187083.db2.gz PGJRQUXDNFICSI-OALUTQOASA-N 1 3 397.485 3.866 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)CC1 ZINC001227862742 1032652775 /nfs/dbraw/zinc/65/27/75/1032652775.db2.gz IIYKZLCCBUUJLU-FQEVSTJZSA-N 1 3 398.595 3.544 20 0 GHADHO CN(CCCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)Cc1ccco1 ZINC000562162166 1018057979 /nfs/dbraw/zinc/05/79/79/1018057979.db2.gz QAHYFYVQYJBVCG-JOCHJYFZSA-N 1 3 398.551 3.580 20 0 GHADHO OC[C@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000578102300 1020328037 /nfs/dbraw/zinc/32/80/37/1020328037.db2.gz CBWDPWPSZNXPRN-ARXROMJUSA-N 1 3 376.544 3.938 20 0 GHADHO OC[C@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000578102300 1020328055 /nfs/dbraw/zinc/32/80/55/1020328055.db2.gz CBWDPWPSZNXPRN-ARXROMJUSA-N 1 3 376.544 3.938 20 0 GHADHO C[N@H+](CCOc1cccc(CN[C@H]2CCCc3ncccc32)c1)C1CCOCC1 ZINC000631574523 1020891963 /nfs/dbraw/zinc/89/19/63/1020891963.db2.gz AQQJWKYMKGCHAE-DEOSSOPVSA-N 1 3 395.547 3.738 20 0 GHADHO C[N@@H+](CCOc1cccc(CN[C@H]2CCCc3ncccc32)c1)C1CCOCC1 ZINC000631574523 1020891973 /nfs/dbraw/zinc/89/19/73/1020891973.db2.gz AQQJWKYMKGCHAE-DEOSSOPVSA-N 1 3 395.547 3.738 20 0 GHADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001140297533 1021341864 /nfs/dbraw/zinc/34/18/64/1021341864.db2.gz GSABWZDLHSHMEW-RBUKOAKNSA-N 1 3 390.984 3.674 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4ncccc4CN4CCCC4)[C@H]3C2)cc1 ZINC001156317892 1032981701 /nfs/dbraw/zinc/98/17/01/1032981701.db2.gz NKYOONICPHFAPD-ACIOBRDBSA-N 1 3 376.548 4.000 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4ncccc4CN4CCCC4)[C@H]3C2)cc1 ZINC001156317892 1032981709 /nfs/dbraw/zinc/98/17/09/1032981709.db2.gz NKYOONICPHFAPD-ACIOBRDBSA-N 1 3 376.548 4.000 20 0 GHADHO COC(=O)c1cccc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)c1 ZINC001204652330 1033014901 /nfs/dbraw/zinc/01/49/01/1033014901.db2.gz LGZFDXSJUKYAGM-NRFANRHFSA-N 1 3 382.504 3.943 20 0 GHADHO COC(=O)c1cccc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)c1 ZINC001204652330 1033014905 /nfs/dbraw/zinc/01/49/05/1033014905.db2.gz LGZFDXSJUKYAGM-NRFANRHFSA-N 1 3 382.504 3.943 20 0 GHADHO COC(=O)c1cccc(C[NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)c1 ZINC001204652330 1033014915 /nfs/dbraw/zinc/01/49/15/1033014915.db2.gz LGZFDXSJUKYAGM-NRFANRHFSA-N 1 3 382.504 3.943 20 0 GHADHO COC(=O)c1cccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204685792 1033029953 /nfs/dbraw/zinc/02/99/53/1033029953.db2.gz JWGFOBFMJGMDEB-XZOQPEGZSA-N 1 3 378.516 3.817 20 0 GHADHO COC(=O)c1cccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204685792 1033029961 /nfs/dbraw/zinc/02/99/61/1033029961.db2.gz JWGFOBFMJGMDEB-XZOQPEGZSA-N 1 3 378.516 3.817 20 0 GHADHO Cc1ccc([C@@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000754671871 1022823784 /nfs/dbraw/zinc/82/37/84/1022823784.db2.gz RLYZGMPABBGYMX-GOSISDBHSA-N 1 3 385.577 3.796 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1cnc(C(F)(F)F)nc1)CC2 ZINC001141455522 1025106954 /nfs/dbraw/zinc/10/69/54/1025106954.db2.gz BBZAIFLINFKENP-KRWDZBQOSA-N 1 3 394.441 3.965 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1cnc(C(F)(F)F)nc1)CC2 ZINC001141455522 1025106959 /nfs/dbraw/zinc/10/69/59/1025106959.db2.gz BBZAIFLINFKENP-KRWDZBQOSA-N 1 3 394.441 3.965 20 0 GHADHO Fc1ccccc1-n1cccc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001138631787 1025135837 /nfs/dbraw/zinc/13/58/37/1025135837.db2.gz BWJYFMMHHZCFCZ-UHFFFAOYSA-N 1 3 385.527 3.941 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC3(CC(=O)c4ccccc43)CC2)cc1 ZINC001138772290 1025342088 /nfs/dbraw/zinc/34/20/88/1025342088.db2.gz XZYSDFWKBXHJFJ-UHFFFAOYSA-N 1 3 378.516 3.747 20 0 GHADHO C[C@H](C(=O)NCCNC(c1ccccc1)c1ccccc1)[NH+]1[C@H](C)CC[C@H]1C ZINC001161896645 1025481458 /nfs/dbraw/zinc/48/14/58/1025481458.db2.gz PGMIZAJJUHWHNA-VAMGGRTRSA-N 1 3 379.548 3.743 20 0 GHADHO CCCn1cc(CN2CCC3(CC[N@H+](Cc4cccc(OC)c4)C3)CC2)cn1 ZINC001139040356 1025819970 /nfs/dbraw/zinc/81/99/70/1025819970.db2.gz FEWHKHSHKXHBOA-UHFFFAOYSA-N 1 3 382.552 3.790 20 0 GHADHO CCCn1cc(CN2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)cn1 ZINC001139040356 1025819981 /nfs/dbraw/zinc/81/99/81/1025819981.db2.gz FEWHKHSHKXHBOA-UHFFFAOYSA-N 1 3 382.552 3.790 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3nonc3c1)CC2 ZINC001139220067 1026075734 /nfs/dbraw/zinc/07/57/34/1026075734.db2.gz BRRSTQQZMIYEQF-QGZVFWFLSA-N 1 3 398.532 3.540 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(N(C)C)nc2)CC3)c1 ZINC001139456410 1026322648 /nfs/dbraw/zinc/32/26/48/1026322648.db2.gz FFYQBISPBTWYNL-UHFFFAOYSA-N 1 3 394.563 3.644 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(N(C)C)nc2)CC3)c1 ZINC001139456410 1026322664 /nfs/dbraw/zinc/32/26/64/1026322664.db2.gz FFYQBISPBTWYNL-UHFFFAOYSA-N 1 3 394.563 3.644 20 0 GHADHO c1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2N2CCOCC2)CC3)co1 ZINC001139507517 1026362104 /nfs/dbraw/zinc/36/21/04/1026362104.db2.gz KHBRINGTYVFTFR-UHFFFAOYSA-N 1 3 395.547 3.604 20 0 GHADHO COc1c(C)c(C)c(Br)c(NCC2(N(C)C)CC[NH+](C)CC2)c1C ZINC001164213538 1026455246 /nfs/dbraw/zinc/45/52/46/1026455246.db2.gz VPYOXWMVIWAGAT-UHFFFAOYSA-N 1 3 398.389 3.821 20 0 GHADHO CCN1CCC[C@H](C[NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001461123613 1069402733 /nfs/dbraw/zinc/40/27/33/1069402733.db2.gz WMBQMBBDHZNSJR-GOSISDBHSA-N 1 3 387.568 3.801 20 0 GHADHO c1ccc2c(c1)CC[N@@H+](C1CCN(c3ncccc3CN3CCCC3)CC1)C2 ZINC001165153922 1026637614 /nfs/dbraw/zinc/63/76/14/1026637614.db2.gz HIYOIYURTGRDGH-UHFFFAOYSA-N 1 3 376.548 3.705 20 0 GHADHO c1ccc2c(c1)CC[N@H+](C1CCN(c3ncccc3CN3CCCC3)CC1)C2 ZINC001165153922 1026637621 /nfs/dbraw/zinc/63/76/21/1026637621.db2.gz HIYOIYURTGRDGH-UHFFFAOYSA-N 1 3 376.548 3.705 20 0 GHADHO Cc1nccn1-c1ccccc1CN1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001140021665 1026805078 /nfs/dbraw/zinc/80/50/78/1026805078.db2.gz ORTKOUNSDKWKPU-WOJBJXKFSA-N 1 3 378.545 3.806 20 0 GHADHO COc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)cc1 ZINC001203955387 1027751106 /nfs/dbraw/zinc/75/11/06/1027751106.db2.gz MTJUBKIIDNCJDM-JOCHJYFZSA-N 1 3 380.532 3.951 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1sccc1C)CC2 ZINC001204019852 1027808970 /nfs/dbraw/zinc/80/89/70/1027808970.db2.gz PMOHALATVLAZNM-HXUWFJFHSA-N 1 3 385.577 3.955 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccsc1 ZINC001211237196 1027852023 /nfs/dbraw/zinc/85/20/23/1027852023.db2.gz RRAPUTYYSZNCIO-NSHGMRRFSA-N 1 3 394.629 3.798 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccsc1 ZINC001211237196 1027852046 /nfs/dbraw/zinc/85/20/46/1027852046.db2.gz RRAPUTYYSZNCIO-NSHGMRRFSA-N 1 3 394.629 3.798 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)c1ccco1 ZINC001211244971 1027855442 /nfs/dbraw/zinc/85/54/42/1027855442.db2.gz NJXLEZCQHWAIRY-ZCNNSNEGSA-N 1 3 392.588 3.765 20 0 GHADHO COCc1cc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1OC ZINC000840883963 1027921282 /nfs/dbraw/zinc/92/12/82/1027921282.db2.gz HXAAYUFSWVIPQF-IBGZPJMESA-N 1 3 398.547 3.519 20 0 GHADHO C[C@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC001222211099 1030008767 /nfs/dbraw/zinc/00/87/67/1030008767.db2.gz KQVIDJJPZXKALD-IIZPIQPGSA-N 1 3 388.600 3.735 20 0 GHADHO C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC001222211099 1030008773 /nfs/dbraw/zinc/00/87/73/1030008773.db2.gz KQVIDJJPZXKALD-IIZPIQPGSA-N 1 3 388.600 3.735 20 0 GHADHO FC(F)(F)Oc1cc(Br)ccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222624353 1030247265 /nfs/dbraw/zinc/24/72/65/1030247265.db2.gz YNKDTOMARXJTEI-TXEJJXNPSA-N 1 3 393.247 3.779 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)CC(C)C ZINC001223090520 1030435138 /nfs/dbraw/zinc/43/51/38/1030435138.db2.gz WFIRKKAHGDEYPZ-HJNYFJLDSA-N 1 3 388.600 3.705 20 0 GHADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001223833303 1030773149 /nfs/dbraw/zinc/77/31/49/1030773149.db2.gz UNCPYRIRMCKKHL-JOCHJYFZSA-N 1 3 394.563 3.539 20 0 GHADHO COC(=O)C[C@@H]([NH3+])c1cccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1 ZINC001218342533 1030903411 /nfs/dbraw/zinc/90/34/11/1030903411.db2.gz WTLLMNNVFWPPDX-ADGBJGEGSA-N 1 3 394.515 3.539 20 0 GHADHO [NH3+]C1CCN(Cc2ccc(O[C@H]3CCN(Cc4ccccc4Cl)C3)cc2)CC1 ZINC001218410797 1030926972 /nfs/dbraw/zinc/92/69/72/1030926972.db2.gz NYYSNDVYZZQOCE-QFIPXVFZSA-N 1 3 399.966 3.916 20 0 GHADHO C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC001152023578 1031077395 /nfs/dbraw/zinc/07/73/95/1031077395.db2.gz LDYMWHIBALKSRN-GOTSBHOMSA-N 1 3 379.548 3.850 20 0 GHADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 ZINC001219162326 1031281462 /nfs/dbraw/zinc/28/14/62/1031281462.db2.gz ZLKQXIYBPSQYOS-QHCPKHFHSA-N 1 3 389.499 3.937 20 0 GHADHO O=C(Nc1ccc(-n2c3ccccc3c3ccccc32)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219398646 1031398078 /nfs/dbraw/zinc/39/80/78/1031398078.db2.gz RZHGYWTZEQOUAU-NRFANRHFSA-N 1 3 396.494 3.531 20 0 GHADHO O=C(Nc1ccc2c(c1)N=NC2)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219415553 1031409363 /nfs/dbraw/zinc/40/93/63/1031409363.db2.gz ZMFMCXXOVICSSX-AUSIDOKSSA-N 1 3 389.503 3.724 20 0 GHADHO CC[NH+]1CCC(CNCc2ccc(Cl)cc2I)CC1 ZINC001205567351 1033471389 /nfs/dbraw/zinc/47/13/89/1033471389.db2.gz AHKUBRQYTWALCB-UHFFFAOYSA-N 1 3 392.712 3.766 20 0 GHADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC001205998118 1033678136 /nfs/dbraw/zinc/67/81/36/1033678136.db2.gz JBBLIRPIIDVZDU-GOSISDBHSA-N 1 3 395.385 3.897 20 0 GHADHO Brc1cncc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001206133625 1033733945 /nfs/dbraw/zinc/73/39/45/1033733945.db2.gz YNBNGMJORWDPCS-UHFFFAOYSA-N 1 3 386.337 3.942 20 0 GHADHO COc1cc(CN2CCC(CC[NH3+])CC2)cc(OCc2ccccc2)c1OC ZINC001206506461 1033880473 /nfs/dbraw/zinc/88/04/73/1033880473.db2.gz BERWXJXQGXKAIA-UHFFFAOYSA-N 1 3 384.520 3.844 20 0 GHADHO COc1ccc(CN(c2cc(N3CCCC3)nc(C)n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158156226 1033941361 /nfs/dbraw/zinc/94/13/61/1033941361.db2.gz OECGBMLOULUZFG-MXVIHJGJSA-N 1 3 395.551 3.670 20 0 GHADHO O=C(OCc1ccccc1)N1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207185568 1034154392 /nfs/dbraw/zinc/15/43/92/1034154392.db2.gz PEFNAMACLNGPEI-UNMCSNQZSA-N 1 3 385.552 3.784 20 0 GHADHO O=C(OCc1ccccc1)N1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207185568 1034154402 /nfs/dbraw/zinc/15/44/02/1034154402.db2.gz PEFNAMACLNGPEI-UNMCSNQZSA-N 1 3 385.552 3.784 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207193365 1034163305 /nfs/dbraw/zinc/16/33/05/1034163305.db2.gz ACPLLICHWUAHRB-PMACEKPBSA-N 1 3 379.589 3.972 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207193365 1034163318 /nfs/dbraw/zinc/16/33/18/1034163318.db2.gz ACPLLICHWUAHRB-PMACEKPBSA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@H+](CCCNC(=O)N1CCN(CCC(C)(C)C)CC1)C1CCCCC1 ZINC001230687120 1034180939 /nfs/dbraw/zinc/18/09/39/1034180939.db2.gz VMZZDIULAGSIJL-UHFFFAOYSA-N 1 3 380.621 3.795 20 0 GHADHO CC[N@@H+](CCCNC(=O)N1CCN(CCC(C)(C)C)CC1)C1CCCCC1 ZINC001230687120 1034180941 /nfs/dbraw/zinc/18/09/41/1034180941.db2.gz VMZZDIULAGSIJL-UHFFFAOYSA-N 1 3 380.621 3.795 20 0 GHADHO CC1=CC[C@H](CCN2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)C1(C)C ZINC001207279030 1034233262 /nfs/dbraw/zinc/23/32/62/1034233262.db2.gz KYZKMRFKTMSHRE-HXUWFJFHSA-N 1 3 375.601 3.634 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001231264255 1034492916 /nfs/dbraw/zinc/49/29/16/1034492916.db2.gz VEZJBPBXAWHPOY-RBBKRZOGSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001231264255 1034492924 /nfs/dbraw/zinc/49/29/24/1034492924.db2.gz VEZJBPBXAWHPOY-RBBKRZOGSA-N 1 3 398.595 3.699 20 0 GHADHO [NH3+]C1CCN(c2ccc(Nc3ccc(CN4CCCCC4)c(F)c3)cn2)CC1 ZINC001159323584 1034543846 /nfs/dbraw/zinc/54/38/46/1034543846.db2.gz LOZFPTLBDFVQTH-UHFFFAOYSA-N 1 3 383.515 3.878 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001207770176 1034566890 /nfs/dbraw/zinc/56/68/90/1034566890.db2.gz PXOQDSGBZROOII-UHFFFAOYSA-N 1 3 399.579 3.841 20 0 GHADHO CN(C)c1cccc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC001159516744 1034633054 /nfs/dbraw/zinc/63/30/54/1034633054.db2.gz XZPSPFFMHLVNQL-JOCHJYFZSA-N 1 3 390.531 3.623 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1cccc(F)c1)CC2 ZINC001208198207 1034791299 /nfs/dbraw/zinc/79/12/99/1034791299.db2.gz YAUZSMLLPFWEKO-HSZRJFAPSA-N 1 3 397.538 3.766 20 0 GHADHO COC(=O)[C@H]1CCC[N@@H+](C2CCN(CC[C@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208652 1034800398 /nfs/dbraw/zinc/80/03/98/1034800398.db2.gz DIAKIVQSRNZNBH-UXHICEINSA-N 1 3 396.616 3.957 20 0 GHADHO COC(=O)[C@H]1CCC[N@H+](C2CCN(CC[C@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208652 1034800412 /nfs/dbraw/zinc/80/04/12/1034800412.db2.gz DIAKIVQSRNZNBH-UXHICEINSA-N 1 3 396.616 3.957 20 0 GHADHO COC(=O)[C@H]1CC[C@H](C[NH+]2CCN(c3cc(C)nc4ccccc43)CC2)CC1 ZINC001208625473 1034958750 /nfs/dbraw/zinc/95/87/50/1034958750.db2.gz BELNEXPVRAZUNP-WGSAOQKQSA-N 1 3 381.520 3.645 20 0 GHADHO COC(=O)[C@@H](C)Oc1ccccc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC001461929898 1069894859 /nfs/dbraw/zinc/89/48/59/1069894859.db2.gz WTWYCOIXWDEQLF-LJQANCHMSA-N 1 3 388.552 3.715 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001160663678 1035028398 /nfs/dbraw/zinc/02/83/98/1035028398.db2.gz HYHMMGRFCDQCRN-WMZOPIPTSA-N 1 3 385.474 3.517 20 0 GHADHO CC1(C)[C@H](C(=O)N(Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]1[NH3+] ZINC001160682119 1035034237 /nfs/dbraw/zinc/03/42/37/1035034237.db2.gz DHWJPDHFVBITPC-VABKMULXSA-N 1 3 391.559 3.663 20 0 GHADHO [NH3+][C@@H](CC1CCC1)C(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160684410 1035035252 /nfs/dbraw/zinc/03/52/52/1035035252.db2.gz ULKULGHEXGYWES-RPWUZVMVSA-N 1 3 391.559 3.807 20 0 GHADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)O2)n1 ZINC001208935151 1035100474 /nfs/dbraw/zinc/10/04/74/1035100474.db2.gz JJDBVKGBPYCMCT-GXRSIYKFSA-N 1 3 396.535 3.585 20 0 GHADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)O2)n1 ZINC001208935151 1035100481 /nfs/dbraw/zinc/10/04/81/1035100481.db2.gz JJDBVKGBPYCMCT-GXRSIYKFSA-N 1 3 396.535 3.585 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943903 1035113509 /nfs/dbraw/zinc/11/35/09/1035113509.db2.gz WMIQWBVVSZCVRY-QPPBQGQZSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(CCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943903 1035113518 /nfs/dbraw/zinc/11/35/18/1035113518.db2.gz WMIQWBVVSZCVRY-QPPBQGQZSA-N 1 3 399.579 3.841 20 0 GHADHO O=C1Nc2ccccc2C2(CC[NH+](C[C@H]3CCN(Cc4ccccc4)C3)CC2)N1 ZINC001208951573 1035124490 /nfs/dbraw/zinc/12/44/90/1035124490.db2.gz DCIGUORXAITDGV-HXUWFJFHSA-N 1 3 390.531 3.635 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001232146932 1035125371 /nfs/dbraw/zinc/12/53/71/1035125371.db2.gz AUESSYFYQICDNY-UHFFFAOYSA-N 1 3 393.547 3.966 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001232146932 1035125374 /nfs/dbraw/zinc/12/53/74/1035125374.db2.gz AUESSYFYQICDNY-UHFFFAOYSA-N 1 3 393.547 3.966 20 0 GHADHO CN(C[C@@H]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952551 1035125431 /nfs/dbraw/zinc/12/54/31/1035125431.db2.gz KNIUDCFXPVBNMG-SFTDATJTSA-N 1 3 387.568 3.697 20 0 GHADHO CN(C[C@@H]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952551 1035125436 /nfs/dbraw/zinc/12/54/36/1035125436.db2.gz KNIUDCFXPVBNMG-SFTDATJTSA-N 1 3 387.568 3.697 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952535 1035125580 /nfs/dbraw/zinc/12/55/80/1035125580.db2.gz KDASLHNHYRGYKK-SFTDATJTSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952535 1035125585 /nfs/dbraw/zinc/12/55/85/1035125585.db2.gz KDASLHNHYRGYKK-SFTDATJTSA-N 1 3 387.568 3.888 20 0 GHADHO c1csc(CN2CC[C@H]3CN(C[C@H]4CC[N@H+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953141 1035125984 /nfs/dbraw/zinc/12/59/84/1035125984.db2.gz YSIWXDZVESOBBQ-FDFHNCONSA-N 1 3 396.604 3.561 20 0 GHADHO c1csc(CN2CC[C@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953141 1035125990 /nfs/dbraw/zinc/12/59/90/1035125990.db2.gz YSIWXDZVESOBBQ-FDFHNCONSA-N 1 3 396.604 3.561 20 0 GHADHO CN(CCC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1)C(=O)OC(C)(C)C ZINC001209139237 1035190601 /nfs/dbraw/zinc/19/06/01/1035190601.db2.gz UHNALPUYHGRHII-UHFFFAOYSA-N 1 3 387.568 3.841 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC001248529213 1035934425 /nfs/dbraw/zinc/93/44/25/1035934425.db2.gz ASYVSHMBAFAZII-CTNGQTDRSA-N 1 3 386.584 3.728 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1ccc3n1CCC3)CC2 ZINC001248822505 1036184882 /nfs/dbraw/zinc/18/48/82/1036184882.db2.gz OAFRGIHWYVSSAM-HXUWFJFHSA-N 1 3 385.577 3.751 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1ccc3n1CCC3)CC2 ZINC001248822505 1036184891 /nfs/dbraw/zinc/18/48/91/1036184891.db2.gz OAFRGIHWYVSSAM-HXUWFJFHSA-N 1 3 385.577 3.751 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC001245972435 1037095657 /nfs/dbraw/zinc/09/56/57/1037095657.db2.gz DQWUCHCGUCGXJW-KMDXXIMOSA-N 1 3 396.481 3.769 20 0 GHADHO Cc1ccccc1C1([NH2+]C[C@@H](O)[C@@H](N)Cc2ccccc2)CCC(F)(F)CC1 ZINC001246011061 1037131439 /nfs/dbraw/zinc/13/14/39/1037131439.db2.gz QUTKMWMFPQCEIX-LEWJYISDSA-N 1 3 388.502 3.920 20 0 GHADHO C[N@H+](C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)C(c1ccccc1)c1ccccc1 ZINC001246015169 1037133839 /nfs/dbraw/zinc/13/38/39/1037133839.db2.gz UMYXGNHZQVMGQE-XZOQPEGZSA-N 1 3 396.481 3.917 20 0 GHADHO C[N@@H+](C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)C(c1ccccc1)c1ccccc1 ZINC001246015169 1037133852 /nfs/dbraw/zinc/13/38/52/1037133852.db2.gz UMYXGNHZQVMGQE-XZOQPEGZSA-N 1 3 396.481 3.917 20 0 GHADHO O[C@@H](C[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1)C(c1ccccc1)c1ccccc1 ZINC001246031975 1037149158 /nfs/dbraw/zinc/14/91/58/1037149158.db2.gz XCZAGUOTUSJJCA-DQEYMECFSA-N 1 3 398.550 3.868 20 0 GHADHO O[C@@H](C[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1)C(c1ccccc1)c1ccccc1 ZINC001246031975 1037149171 /nfs/dbraw/zinc/14/91/71/1037149171.db2.gz XCZAGUOTUSJJCA-DQEYMECFSA-N 1 3 398.550 3.868 20 0 GHADHO O[C@@H](CN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC001246031975 1037149181 /nfs/dbraw/zinc/14/91/81/1037149181.db2.gz XCZAGUOTUSJJCA-DQEYMECFSA-N 1 3 398.550 3.868 20 0 GHADHO Fc1cccc2c1C[C@H]([NH2+]C1(c3ccc(Br)cc3)CCNCC1)C2 ZINC001246186217 1037227739 /nfs/dbraw/zinc/22/77/39/1037227739.db2.gz XQIXBEOYXXHDFR-QGZVFWFLSA-N 1 3 389.312 3.924 20 0 GHADHO CC[C@@H]1CC(N[C@@H]2Cc3ccc(I)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246274223 1037271588 /nfs/dbraw/zinc/27/15/88/1037271588.db2.gz XKPABGNEXZOHOF-BRWVUGGUSA-N 1 3 398.332 3.657 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@@H]3CCN[C@H](Cc4ccccc4)C3)CC2)cc1F ZINC001246353813 1037312027 /nfs/dbraw/zinc/31/20/27/1037312027.db2.gz GGDXVNXPWFDAFW-FGZHOGPDSA-N 1 3 399.529 3.882 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)c1 ZINC001246372055 1037328633 /nfs/dbraw/zinc/32/86/33/1037328633.db2.gz BUOGXMYREMMQMC-UNMCSNQZSA-N 1 3 384.495 3.823 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2(c3ccccc3OC)CCNCC2)cc1 ZINC001246375704 1037331682 /nfs/dbraw/zinc/33/16/82/1037331682.db2.gz JHTCIVXKMHWPAV-SFHVURJKSA-N 1 3 396.531 3.671 20 0 GHADHO COc1cccc(C2(N[C@H]3C[C@@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246414876 1037370145 /nfs/dbraw/zinc/37/01/45/1037370145.db2.gz JVRCQYVVTLLTSM-KNQAVFIVSA-N 1 3 379.548 3.527 20 0 GHADHO COc1cccc(C2(NC3CCC(C(=O)OC(C)(C)C)CC3)CC[NH2+]CC2)c1 ZINC001246416663 1037372822 /nfs/dbraw/zinc/37/28/22/1037372822.db2.gz SUXZVNRBVCWLMZ-UHFFFAOYSA-N 1 3 388.552 3.764 20 0 GHADHO CCOC(=O)C1CCC(NC2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246420870 1037377786 /nfs/dbraw/zinc/37/77/86/1037377786.db2.gz IDDGIVUHEFSQOD-UHFFFAOYSA-N 1 3 398.469 3.996 20 0 GHADHO COc1ccc(CC[C@H](C)[NH2+]C2(Cc3ccccc3OC)CCNCC2)cc1 ZINC001246424274 1037381445 /nfs/dbraw/zinc/38/14/45/1037381445.db2.gz FGUQNCUNPOIQIW-IBGZPJMESA-N 1 3 382.548 3.979 20 0 GHADHO Clc1cccc(CC2(N[C@H]3CCN(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246428202 1037387096 /nfs/dbraw/zinc/38/70/96/1037387096.db2.gz KSRSKJIBSXLUAP-QFIPXVFZSA-N 1 3 383.967 3.869 20 0 GHADHO CCOC(=O)C1CCC(NC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246429931 1037389096 /nfs/dbraw/zinc/38/90/96/1037389096.db2.gz KPINEKOCXNYNAK-UHFFFAOYSA-N 1 3 398.469 3.996 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2(c3cccc(F)c3)CCNCC2)cc1 ZINC001246435695 1037397783 /nfs/dbraw/zinc/39/77/83/1037397783.db2.gz HKFNDRFGSQIYND-KRWDZBQOSA-N 1 3 384.495 3.802 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H](NC2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CC1 ZINC001246453543 1037414258 /nfs/dbraw/zinc/41/42/58/1037414258.db2.gz XBCJMCZWHIEVOC-CVEARBPZSA-N 1 3 398.469 3.996 20 0 GHADHO Fc1cccc(CC2([NH2+]C3CCN(c4cccc(F)c4)CC3)CCNCC2)c1 ZINC001246463159 1037418672 /nfs/dbraw/zinc/41/86/72/1037418672.db2.gz PFENSYOBKZRUFB-UHFFFAOYSA-N 1 3 385.502 3.888 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCC[NH2+][C@@H]3CCC(C)(C)C3)ccc12 ZINC001246497537 1037441384 /nfs/dbraw/zinc/44/13/84/1037441384.db2.gz SGIJUGSFXFLFOH-MJGOQNOKSA-N 1 3 399.535 3.706 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCCC23CCNCC3)CC1 ZINC001246646855 1037525816 /nfs/dbraw/zinc/52/58/16/1037525816.db2.gz QPIWFVPWCYZLAI-UHFFFAOYSA-N 1 3 390.955 3.911 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCCC23CCNCC3)CC1 ZINC001246646855 1037525828 /nfs/dbraw/zinc/52/58/28/1037525828.db2.gz QPIWFVPWCYZLAI-UHFFFAOYSA-N 1 3 390.955 3.911 20 0 GHADHO CC[C@@H]1C[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)C[C@H](CC)[NH2+]1 ZINC001246803916 1037637604 /nfs/dbraw/zinc/63/76/04/1037637604.db2.gz DYFLLQGSLIHUOM-FCGDIQPGSA-N 1 3 380.374 3.705 20 0 GHADHO Cc1cccc(N2CCCN([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853304 1037677923 /nfs/dbraw/zinc/67/79/23/1037677923.db2.gz UUGGUPWBKWPICW-IRLDBZIGSA-N 1 3 382.527 3.843 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952819 1037757655 /nfs/dbraw/zinc/75/76/55/1037757655.db2.gz WYPANSNMKMJBFQ-DYESRHJHSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952819 1037757668 /nfs/dbraw/zinc/75/76/68/1037757668.db2.gz WYPANSNMKMJBFQ-DYESRHJHSA-N 1 3 376.516 3.810 20 0 GHADHO C[C@](O)(CNC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC001253118231 1039435533 /nfs/dbraw/zinc/43/55/33/1039435533.db2.gz KPGKUQIKIWXXRT-DEOSSOPVSA-N 1 3 377.532 3.672 20 0 GHADHO CC(C)Oc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001254003805 1039946264 /nfs/dbraw/zinc/94/62/64/1039946264.db2.gz SEZUYLMIMWVIPD-PWRODBHTSA-N 1 3 390.568 3.552 20 0 GHADHO CC(C)Oc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001254003805 1039946269 /nfs/dbraw/zinc/94/62/69/1039946269.db2.gz SEZUYLMIMWVIPD-PWRODBHTSA-N 1 3 390.568 3.552 20 0 GHADHO OC1(C[N@@H+]2CCSC[C@@H]2c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC001254038466 1039968602 /nfs/dbraw/zinc/96/86/02/1039968602.db2.gz ILRCVGRDPOHVSN-JOCHJYFZSA-N 1 3 382.573 3.804 20 0 GHADHO OC1(C[N@H+]2CCSC[C@@H]2c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC001254038466 1039968609 /nfs/dbraw/zinc/96/86/09/1039968609.db2.gz ILRCVGRDPOHVSN-JOCHJYFZSA-N 1 3 382.573 3.804 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763586 1040522727 /nfs/dbraw/zinc/52/27/27/1040522727.db2.gz ALBUJDAQDBIMPF-AZUAARDMSA-N 1 3 387.568 3.873 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763586 1040522747 /nfs/dbraw/zinc/52/27/47/1040522747.db2.gz ALBUJDAQDBIMPF-AZUAARDMSA-N 1 3 387.568 3.873 20 0 GHADHO C[NH+](C)CC[C@@H](N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccccc1 ZINC001254887338 1040637554 /nfs/dbraw/zinc/63/75/54/1040637554.db2.gz PRGPWVZBHOAHLF-IVAOSVALSA-N 1 3 387.568 3.915 20 0 GHADHO Brc1ccnc2[nH]cc(CN3CCC([C@H]4CCCC[NH2+]4)CC3)c21 ZINC001235230191 1040709788 /nfs/dbraw/zinc/70/97/88/1040709788.db2.gz SQTPOOOFXYAKBL-MRXNPFEDSA-N 1 3 377.330 3.680 20 0 GHADHO FC(F)(F)Oc1ccc2nc(CN3CCC([C@@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235238921 1040719819 /nfs/dbraw/zinc/71/98/19/1040719819.db2.gz GOFPPDHMWSLPRJ-HNNXBMFYSA-N 1 3 382.430 3.816 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cccc(OC4COC4)c2)C3)cc1 ZINC001255127500 1040819400 /nfs/dbraw/zinc/81/94/00/1040819400.db2.gz XSTHAVGGTHLZLH-DKUWSORSSA-N 1 3 378.516 3.749 20 0 GHADHO Cc1cncnc1O[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255149234 1040863213 /nfs/dbraw/zinc/86/32/13/1040863213.db2.gz GCHUPTKRBWRHBP-AFXVXQJMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cncnc1O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255149234 1040863226 /nfs/dbraw/zinc/86/32/26/1040863226.db2.gz GCHUPTKRBWRHBP-AFXVXQJMSA-N 1 3 392.547 3.824 20 0 GHADHO CC(C)c1cc(Br)cc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1 ZINC001235380394 1040900950 /nfs/dbraw/zinc/90/09/50/1040900950.db2.gz UOBSLMQWQCERAH-QXAKKESOSA-N 1 3 379.342 3.525 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001255197907 1040902105 /nfs/dbraw/zinc/90/21/05/1040902105.db2.gz BKVLNHBIYQUZFG-WJMWBRGCSA-N 1 3 375.557 3.549 20 0 GHADHO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+]([C@H]4CCCN(Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401078 1040987940 /nfs/dbraw/zinc/98/79/40/1040987940.db2.gz QXCOSPVQEZIKTE-MYGLTJDJSA-N 1 3 396.535 3.585 20 0 GHADHO Cc1noc([C@@H]2C[C@@H]3CC[N@H+]([C@H]4CCCN(Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401078 1040987942 /nfs/dbraw/zinc/98/79/42/1040987942.db2.gz QXCOSPVQEZIKTE-MYGLTJDJSA-N 1 3 396.535 3.585 20 0 GHADHO Cc1ccnc(O[C@H]2CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)n1 ZINC001255408816 1040995894 /nfs/dbraw/zinc/99/58/94/1040995894.db2.gz BZTLDXNXWGROPD-VXKWHMMOSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1ccnc(O[C@H]2CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)n1 ZINC001255408816 1040995896 /nfs/dbraw/zinc/99/58/96/1040995896.db2.gz BZTLDXNXWGROPD-VXKWHMMOSA-N 1 3 380.536 3.683 20 0 GHADHO Fc1cccc(N2CCOC[C@]3(CCCN(Cc4ccc5c(c4)C[NH2+]C5)C3)C2)c1 ZINC001235596433 1041007881 /nfs/dbraw/zinc/00/78/81/1041007881.db2.gz JGAKBURASJYHOK-DEOSSOPVSA-N 1 3 395.522 3.548 20 0 GHADHO c1ccc(-c2nc3n(c2CN2CCC(C4CC[NH2+]CC4)CC2)CCS3)cc1 ZINC001235706329 1041186772 /nfs/dbraw/zinc/18/67/72/1041186772.db2.gz SMUXJFIGHMNUNP-UHFFFAOYSA-N 1 3 382.577 3.867 20 0 GHADHO [NH3+]Cc1cccc(CN2CCC(Oc3ccc(Br)cc3)CC2)c1 ZINC001235711005 1041194464 /nfs/dbraw/zinc/19/44/64/1041194464.db2.gz VFIAKIUKQNRYRQ-UHFFFAOYSA-N 1 3 375.310 3.951 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001255939332 1041428616 /nfs/dbraw/zinc/42/86/16/1041428616.db2.gz BSRFTDWXVGLHEV-UAFMIMERSA-N 1 3 381.605 3.980 20 0 GHADHO CC[NH+](CC)CC[C@H](C)NC[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255945930 1041430628 /nfs/dbraw/zinc/43/06/28/1041430628.db2.gz PQWIAXQNMRHGDN-JKSUJKDBSA-N 1 3 377.520 3.589 20 0 GHADHO CC[NH+](CC)CC[C@H](C)NC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255947205 1041431584 /nfs/dbraw/zinc/43/15/84/1041431584.db2.gz PISYPRLQIOFHFD-OALUTQOASA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255947205 1041431591 /nfs/dbraw/zinc/43/15/91/1041431591.db2.gz PISYPRLQIOFHFD-OALUTQOASA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960021 1041438077 /nfs/dbraw/zinc/43/80/77/1041438077.db2.gz CPOWPHSMDKQJHB-IERDGZPVSA-N 1 3 379.495 3.514 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960021 1041438084 /nfs/dbraw/zinc/43/80/84/1041438084.db2.gz CPOWPHSMDKQJHB-IERDGZPVSA-N 1 3 379.495 3.514 20 0 GHADHO COCCCN(Cc1ccc(-n2cnc3ccccc32)cc1)C1CC[NH2+]CC1 ZINC001235938619 1041445235 /nfs/dbraw/zinc/44/52/35/1041445235.db2.gz YEYLLDYKHUJJHL-UHFFFAOYSA-N 1 3 378.520 3.616 20 0 GHADHO COCCC[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1CCNCC1 ZINC001235938619 1041445246 /nfs/dbraw/zinc/44/52/46/1041445246.db2.gz YEYLLDYKHUJJHL-UHFFFAOYSA-N 1 3 378.520 3.616 20 0 GHADHO COCCC[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1CCNCC1 ZINC001235938619 1041445252 /nfs/dbraw/zinc/44/52/52/1041445252.db2.gz YEYLLDYKHUJJHL-UHFFFAOYSA-N 1 3 378.520 3.616 20 0 GHADHO c1cnc(Oc2cccc(CN3Cc4ccccc4C4(CC[NH2+]CC4)C3)c2)nc1 ZINC001235973522 1041478133 /nfs/dbraw/zinc/47/81/33/1041478133.db2.gz GQORRHJVNYHZAA-UHFFFAOYSA-N 1 3 386.499 3.906 20 0 GHADHO CCOC(=O)[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1c1ccccc1 ZINC001236007968 1041498310 /nfs/dbraw/zinc/49/83/10/1041498310.db2.gz HPBHRRFRHYSARW-GOTSBHOMSA-N 1 3 378.516 3.501 20 0 GHADHO Fc1c(CN2CCCCC2)cccc1-c1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1 ZINC001236013016 1041506567 /nfs/dbraw/zinc/50/65/67/1041506567.db2.gz YCCCXQQZDBKXIC-IBGZPJMESA-N 1 3 379.483 3.946 20 0 GHADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC001236083002 1041525806 /nfs/dbraw/zinc/52/58/06/1041525806.db2.gz KLDLODKKMAXXBT-UHFFFAOYSA-N 1 3 377.454 3.709 20 0 GHADHO Cc1cc(CN2CCC[C@H](N3CC(C[NH3+])C3)C2)c(OCc2ccccc2)cc1C ZINC001236081379 1041525990 /nfs/dbraw/zinc/52/59/90/1041525990.db2.gz DUWCJZREOWOAKU-DEOSSOPVSA-N 1 3 393.575 3.737 20 0 GHADHO Cc1cc(CN2CCC(N3CC[NH2+]CC3)CC2)c(OCc2ccccc2)cc1C ZINC001236133189 1041561362 /nfs/dbraw/zinc/56/13/62/1041561362.db2.gz WSZZPNJYJODQIX-UHFFFAOYSA-N 1 3 393.575 3.752 20 0 GHADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCC(N(C)Cc2ccc(Cl)cc2)CC1 ZINC001236214605 1041624018 /nfs/dbraw/zinc/62/40/18/1041624018.db2.gz SKVIHUDKYZDYDS-DNVCBOLYSA-N 1 3 385.930 3.727 20 0 GHADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214605 1041624022 /nfs/dbraw/zinc/62/40/22/1041624022.db2.gz SKVIHUDKYZDYDS-DNVCBOLYSA-N 1 3 385.930 3.727 20 0 GHADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214605 1041624024 /nfs/dbraw/zinc/62/40/24/1041624024.db2.gz SKVIHUDKYZDYDS-DNVCBOLYSA-N 1 3 385.930 3.727 20 0 GHADHO Fc1cc(-c2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)ccc1CN1CCCCC1 ZINC001236257372 1041643748 /nfs/dbraw/zinc/64/37/48/1041643748.db2.gz CGKLKPJTYKMMMT-QGZVFWFLSA-N 1 3 379.483 3.598 20 0 GHADHO [NH3+]Cc1ccc(CN(Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC001236313869 1041667853 /nfs/dbraw/zinc/66/78/53/1041667853.db2.gz CGMZZMHWWRVARP-RUZDIDTESA-N 1 3 399.538 3.949 20 0 GHADHO COc1ccc(CN(Cc2cc(F)cc(CN(C)C)c2)C2CC[NH2+]CC2)cc1 ZINC001236448009 1041716914 /nfs/dbraw/zinc/71/69/14/1041716914.db2.gz VTISSWIEDBBFOO-UHFFFAOYSA-N 1 3 385.527 3.650 20 0 GHADHO Cc1ccc(OCc2ccccc2)c(CN2CC[C@H](N3CCC([NH3+])CC3)C2)c1 ZINC001236624345 1041790087 /nfs/dbraw/zinc/79/00/87/1041790087.db2.gz YZKHMHOMFKTDFA-QHCPKHFHSA-N 1 3 379.548 3.571 20 0 GHADHO CCOC(=O)c1ccnc(CN(Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236741017 1041868975 /nfs/dbraw/zinc/86/89/75/1041868975.db2.gz NPSUTWMAULNOSP-AQYVVDRMSA-N 1 3 381.520 3.839 20 0 GHADHO [NH3+][C@@H]1CCC12CCN(Cc1c(Br)cccc1OC(F)F)CC2 ZINC001237360194 1042169188 /nfs/dbraw/zinc/16/91/88/1042169188.db2.gz UTBWKVNZNFDDJC-CQSZACIVSA-N 1 3 375.257 3.754 20 0 GHADHO COC(=O)c1ccc(CN2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)cn1 ZINC001237437925 1042207812 /nfs/dbraw/zinc/20/78/12/1042207812.db2.gz UORDZFOPSRKHMH-UHFFFAOYSA-N 1 3 399.560 3.808 20 0 GHADHO CC(C)C1=NCCc2ccc(C[NH+]3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)cc21 ZINC001237878337 1042406350 /nfs/dbraw/zinc/40/63/50/1042406350.db2.gz PUSOASSLUKBINF-WOJBJXKFSA-N 1 3 394.588 3.708 20 0 GHADHO COc1cc(F)ccc1-c1cccc(CN2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC001238632780 1042664243 /nfs/dbraw/zinc/66/42/43/1042664243.db2.gz XUMRSDUUBGZQAN-UHFFFAOYSA-N 1 3 397.538 3.713 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)nc1 ZINC001240397547 1042926197 /nfs/dbraw/zinc/92/61/97/1042926197.db2.gz FCPCGBKCWZZXBM-FQEVSTJZSA-N 1 3 378.564 3.870 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)nc1 ZINC001240397547 1042926199 /nfs/dbraw/zinc/92/61/99/1042926199.db2.gz FCPCGBKCWZZXBM-FQEVSTJZSA-N 1 3 378.564 3.870 20 0 GHADHO CN1CCN(C2(c3ccc(-c4cnccc4C[NH+]4CCCCC4)cc3)CC2)CC1 ZINC001240596384 1042945356 /nfs/dbraw/zinc/94/53/56/1042945356.db2.gz OAFKEEHHEFUKOA-UHFFFAOYSA-N 1 3 390.575 3.971 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001256541800 1043492782 /nfs/dbraw/zinc/49/27/82/1043492782.db2.gz JCFDYNSDDSBWEX-ZKMPZPQNSA-N 1 3 399.623 3.862 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@H+]([C@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001256541800 1043492795 /nfs/dbraw/zinc/49/27/95/1043492795.db2.gz JCFDYNSDDSBWEX-ZKMPZPQNSA-N 1 3 399.623 3.862 20 0 GHADHO C[C@H]1C[C@@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 ZINC001256543207 1043495763 /nfs/dbraw/zinc/49/57/63/1043495763.db2.gz RZXSAYATGGWPKL-FPOVZHCZSA-N 1 3 399.579 3.982 20 0 GHADHO C[C@@H]1C[C@H](n2nc(C(F)(F)F)c3c2CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552541 1043519505 /nfs/dbraw/zinc/51/95/05/1043519505.db2.gz BQXQKRPLZOLCHC-GDBMZVCRSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@@H]1C[C@H](n2nc(C(F)(F)F)c3c2CNCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552541 1043519506 /nfs/dbraw/zinc/51/95/06/1043519506.db2.gz BQXQKRPLZOLCHC-GDBMZVCRSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@@H]1C[C@H]([N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256560670 1043534803 /nfs/dbraw/zinc/53/48/03/1043534803.db2.gz SBYBTJHSUJXKRB-XRODADMRSA-N 1 3 375.560 3.955 20 0 GHADHO C[C@@H]1C[C@H]([N@H+]2CCN3CCc4ccccc4[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256560670 1043534808 /nfs/dbraw/zinc/53/48/08/1043534808.db2.gz SBYBTJHSUJXKRB-XRODADMRSA-N 1 3 375.560 3.955 20 0 GHADHO Cc1ccc(N2C[C@]3(CC[N@@H+](C4CCN(C(C)(C)C)CC4)C3)CC2=O)s1 ZINC001256570226 1043542564 /nfs/dbraw/zinc/54/25/64/1043542564.db2.gz BUMGYDKVCSDEIN-OAQYLSRUSA-N 1 3 375.582 3.748 20 0 GHADHO Cc1ccc(N2C[C@]3(CC[N@H+](C4CCN(C(C)(C)C)CC4)C3)CC2=O)s1 ZINC001256570226 1043542573 /nfs/dbraw/zinc/54/25/73/1043542573.db2.gz BUMGYDKVCSDEIN-OAQYLSRUSA-N 1 3 375.582 3.748 20 0 GHADHO C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685030 1043620843 /nfs/dbraw/zinc/62/08/43/1043620843.db2.gz XDNZPKAFZCCHBX-MNNVXMFVSA-N 1 3 381.358 3.613 20 0 GHADHO Clc1cc(Br)ccc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687974 1043624256 /nfs/dbraw/zinc/62/42/56/1043624256.db2.gz LKFBHRGEVFIBGW-UHFFFAOYSA-N 1 3 387.749 3.836 20 0 GHADHO CNC(=O)N[C@@H]1CC2(CCN(C3CC[NH+](C(C)C)CC3)CC2)c2ccc(C)cc21 ZINC001257215502 1043939811 /nfs/dbraw/zinc/93/98/11/1043939811.db2.gz DWNHOXXHBTYTDV-JOCHJYFZSA-N 1 3 398.595 3.575 20 0 GHADHO CC(C)CN1CCC([NH2+]CCc2ccc(OCC(=O)OC(C)(C)C)cc2)CC1 ZINC001258009258 1044335276 /nfs/dbraw/zinc/33/52/76/1044335276.db2.gz SZBKERHBNFZIOU-UHFFFAOYSA-N 1 3 390.568 3.660 20 0 GHADHO CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](C1CCN(CC(C)C)CC1)CC2 ZINC001258014155 1044341936 /nfs/dbraw/zinc/34/19/36/1044341936.db2.gz DRCVCBUCSDQLNZ-QHCPKHFHSA-N 1 3 397.607 3.977 20 0 GHADHO COC(=O)[C@@H]1CCN(C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC001258142593 1044429636 /nfs/dbraw/zinc/42/96/36/1044429636.db2.gz JUXGHFQUNKGVQL-RPWUZVMVSA-N 1 3 392.543 3.930 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258145187 1044433041 /nfs/dbraw/zinc/43/30/41/1044433041.db2.gz GKPWMDAJWQKYQE-QFIPXVFZSA-N 1 3 377.576 3.900 20 0 GHADHO CC1(C)COC2(CCC(N3CCC([NH3+])(Cc4cccc(F)c4)CC3)CC2)OC1 ZINC001258521680 1044598699 /nfs/dbraw/zinc/59/86/99/1044598699.db2.gz ACVYVSNXTZXRMD-UHFFFAOYSA-N 1 3 390.543 3.873 20 0 GHADHO C[NH+](C)CC[C@@H](N[C@H]1CCC(=O)N(Cc2ccccc2)CC1)c1ccccc1 ZINC001258567974 1044645327 /nfs/dbraw/zinc/64/53/27/1044645327.db2.gz IGLXSMBRLPRCTD-XZOQPEGZSA-N 1 3 379.548 3.850 20 0 GHADHO [NH3+]C1(c2cccc(F)c2)CCN([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258573825 1044650747 /nfs/dbraw/zinc/65/07/47/1044650747.db2.gz DXVIQKUJGOPHAU-JOCHJYFZSA-N 1 3 395.522 3.657 20 0 GHADHO [NH3+]C1(c2ccc(F)cc2)CCN([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258575768 1044651865 /nfs/dbraw/zinc/65/18/65/1044651865.db2.gz YJHSQOPCPZNMEU-JOCHJYFZSA-N 1 3 395.522 3.657 20 0 GHADHO O=C1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC001258577613 1044653218 /nfs/dbraw/zinc/65/32/18/1044653218.db2.gz DTCFHXMFXGFFNY-NRFANRHFSA-N 1 3 383.580 3.954 20 0 GHADHO CCC[C@H](Cc1ccccc1)N1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001258656675 1044693906 /nfs/dbraw/zinc/69/39/06/1044693906.db2.gz QVGORCAMGYDQGJ-JOCHJYFZSA-N 1 3 396.579 3.702 20 0 GHADHO C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001258745959 1044742034 /nfs/dbraw/zinc/74/20/34/1044742034.db2.gz ACVYLDBXJSTBEE-UCNVEGJOSA-N 1 3 376.972 3.951 20 0 GHADHO C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001258745959 1044742049 /nfs/dbraw/zinc/74/20/49/1044742049.db2.gz ACVYLDBXJSTBEE-UCNVEGJOSA-N 1 3 376.972 3.951 20 0 GHADHO CCCN1CCC([NH2+][C@H](C(=O)Nc2ccc3c(C)cc(=O)oc3c2)C(C)C)CC1 ZINC001258771296 1044757385 /nfs/dbraw/zinc/75/73/85/1044757385.db2.gz ZYAQUIZXCJVJSV-QFIPXVFZSA-N 1 3 399.535 3.529 20 0 GHADHO COc1cc(C[C@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC001258855772 1044795081 /nfs/dbraw/zinc/79/50/81/1044795081.db2.gz QZBDKPLLORASEA-KSZLIROESA-N 1 3 378.557 3.601 20 0 GHADHO COc1cc(C[C@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC001258855772 1044795102 /nfs/dbraw/zinc/79/51/02/1044795102.db2.gz QZBDKPLLORASEA-KSZLIROESA-N 1 3 378.557 3.601 20 0 GHADHO CCC(CC)N1CCC([NH2+][C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC001258863210 1044803528 /nfs/dbraw/zinc/80/35/28/1044803528.db2.gz YXORDHDVQQNOKB-INIZCTEOSA-N 1 3 378.557 3.886 20 0 GHADHO COc1cc(C[C@H](C)N[C@H](CC[NH+](C)C)c2ccccc2)cc(OC)c1OC ZINC001258864165 1044804447 /nfs/dbraw/zinc/80/44/47/1044804447.db2.gz ZARYQTKCRVULQS-FXAWDEMLSA-N 1 3 386.536 3.926 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC001296000634 1045218015 /nfs/dbraw/zinc/21/80/15/1045218015.db2.gz ZNUJQKZIOIMEDQ-MOPGFXCFSA-N 1 3 390.620 3.583 20 0 GHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1)[NH+](C)C ZINC001296529386 1045332906 /nfs/dbraw/zinc/33/29/06/1045332906.db2.gz HPCCBBWBAPZZLF-JPYJTQIMSA-N 1 3 388.515 3.977 20 0 GHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001298378656 1045791346 /nfs/dbraw/zinc/79/13/46/1045791346.db2.gz MSZBSPXHKCIZAH-DHIUTWEWSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001298378656 1045791354 /nfs/dbraw/zinc/79/13/54/1045791354.db2.gz MSZBSPXHKCIZAH-DHIUTWEWSA-N 1 3 385.596 3.520 20 0 GHADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCN1C1CCCC1 ZINC001303541117 1047420351 /nfs/dbraw/zinc/42/03/51/1047420351.db2.gz WSGQOGQKZBYXCA-AZUAARDMSA-N 1 3 387.543 3.513 20 0 GHADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCN1C1CCCC1 ZINC001303541117 1047420355 /nfs/dbraw/zinc/42/03/55/1047420355.db2.gz WSGQOGQKZBYXCA-AZUAARDMSA-N 1 3 387.543 3.513 20 0 GHADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304353047 1047656095 /nfs/dbraw/zinc/65/60/95/1047656095.db2.gz VALGQQCNZNSPKD-RBZQAINGSA-N 1 3 391.559 3.645 20 0 GHADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304353047 1047656100 /nfs/dbraw/zinc/65/61/00/1047656100.db2.gz VALGQQCNZNSPKD-RBZQAINGSA-N 1 3 391.559 3.645 20 0 GHADHO CN(C)CC[N@@H+]1CCC2(CN(CC(C)(C)Sc3ccc(Cl)cc3)C2)C1 ZINC001279593288 1047858525 /nfs/dbraw/zinc/85/85/25/1047858525.db2.gz FEDKYLYXFDAQEA-UHFFFAOYSA-N 1 3 382.017 3.780 20 0 GHADHO CN(C)CC[N@H+]1CCC2(CN(CC(C)(C)Sc3ccc(Cl)cc3)C2)C1 ZINC001279593288 1047858540 /nfs/dbraw/zinc/85/85/40/1047858540.db2.gz FEDKYLYXFDAQEA-UHFFFAOYSA-N 1 3 382.017 3.780 20 0 GHADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccc(Br)cc1 ZINC001279600882 1047863038 /nfs/dbraw/zinc/86/30/38/1047863038.db2.gz WPTFQZYKRMHHFQ-IHWFROFDSA-N 1 3 394.401 3.528 20 0 GHADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc(Br)cc1 ZINC001279600882 1047863049 /nfs/dbraw/zinc/86/30/49/1047863049.db2.gz WPTFQZYKRMHHFQ-IHWFROFDSA-N 1 3 394.401 3.528 20 0 GHADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2cc(Cl)ccc2[nH]1 ZINC001279614713 1047869769 /nfs/dbraw/zinc/86/97/69/1047869769.db2.gz ALDCIYZPUZGZBB-JLYLLQBASA-N 1 3 377.916 3.527 20 0 GHADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cc(Cl)ccc2[nH]1 ZINC001279614713 1047869777 /nfs/dbraw/zinc/86/97/77/1047869777.db2.gz ALDCIYZPUZGZBB-JLYLLQBASA-N 1 3 377.916 3.527 20 0 GHADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3c(Cl)ccc(F)c3Cl)C[C@H]2CC1 ZINC001279663100 1047904000 /nfs/dbraw/zinc/90/40/00/1047904000.db2.gz ZRAIFVARRBELSW-GASCZTMLSA-N 1 3 388.358 3.838 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3c(Cl)ccc(F)c3Cl)C[C@H]2CC1 ZINC001279663100 1047904002 /nfs/dbraw/zinc/90/40/02/1047904002.db2.gz ZRAIFVARRBELSW-GASCZTMLSA-N 1 3 388.358 3.838 20 0 GHADHO Cc1cc(CN2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)c(Cl)nc1C ZINC001279945673 1047998544 /nfs/dbraw/zinc/99/85/44/1047998544.db2.gz AJUQPCAKZJAWEA-OAQYLSRUSA-N 1 3 378.992 3.591 20 0 GHADHO CCCC[C@@H](CC)CN1CCC12CN(C(=S)NCCC[NH+](CC)CC)C2 ZINC001279992482 1048030844 /nfs/dbraw/zinc/03/08/44/1048030844.db2.gz CMAJBKPDWITOOR-LJQANCHMSA-N 1 3 382.662 3.569 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@H](CC(C)C)[NH+](C)C ZINC001305417680 1048037438 /nfs/dbraw/zinc/03/74/38/1048037438.db2.gz ZOWQPBRNCHMLDS-HAGHYFMRSA-N 1 3 392.636 3.687 20 0 GHADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3cc(Cl)ccc3Cl)(C1)C2 ZINC001280339299 1048193913 /nfs/dbraw/zinc/19/39/13/1048193913.db2.gz QIQSJTNRWVEASM-UHFFFAOYSA-N 1 3 398.378 3.806 20 0 GHADHO Cc1ccc(F)cc1NC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307495886 1049334234 /nfs/dbraw/zinc/33/42/34/1049334234.db2.gz HKPRXCCAKFAKRN-HXUWFJFHSA-N 1 3 383.511 3.917 20 0 GHADHO Cc1ccc(F)cc1NC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307495886 1049334245 /nfs/dbraw/zinc/33/42/45/1049334245.db2.gz HKPRXCCAKFAKRN-HXUWFJFHSA-N 1 3 383.511 3.917 20 0 GHADHO CN(CC(F)F)C1CC[NH+](CCCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001307547720 1049390108 /nfs/dbraw/zinc/39/01/08/1049390108.db2.gz IUBHCLLJMMVXPL-UHFFFAOYSA-N 1 3 393.566 3.993 20 0 GHADHO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC001307626062 1049459492 /nfs/dbraw/zinc/45/94/92/1049459492.db2.gz VFLHCVVQBYNOFF-INIZCTEOSA-N 1 3 385.939 3.868 20 0 GHADHO COC(=O)c1ccc(OCCN(C)Cc2ccc(C[NH+](C)C)cc2)c(Cl)c1 ZINC001307644825 1049471166 /nfs/dbraw/zinc/47/11/66/1049471166.db2.gz UFVMITBVTPRIPT-UHFFFAOYSA-N 1 3 390.911 3.699 20 0 GHADHO C/C=C/C[C@H]1CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001307973930 1049733101 /nfs/dbraw/zinc/73/31/01/1049733101.db2.gz LMVXLXLINRZGQV-SHTLVRLNSA-N 1 3 383.580 3.754 20 0 GHADHO CC(C)CN(Cc1ccn(-c2c(F)cccc2F)n1)CC1CC[NH+](C)CC1 ZINC001308025183 1049776667 /nfs/dbraw/zinc/77/66/67/1049776667.db2.gz QPXRGJSDGOKCMH-UHFFFAOYSA-N 1 3 376.495 3.950 20 0 GHADHO C[C@H]1CN(C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308039098 1049789811 /nfs/dbraw/zinc/78/98/11/1049789811.db2.gz CVAYOBCPBLTDTQ-RBUKOAKNSA-N 1 3 388.556 3.629 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)CCN(Cc2ccccc2)C1 ZINC001308565840 1050011792 /nfs/dbraw/zinc/01/17/92/1050011792.db2.gz UHCXPKWBBAGUMF-NOZRDPDXSA-N 1 3 399.623 3.579 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@H](CN3CCOCC3)C2)CCN(Cc2ccccc2)C1 ZINC001308565840 1050011796 /nfs/dbraw/zinc/01/17/96/1050011796.db2.gz UHCXPKWBBAGUMF-NOZRDPDXSA-N 1 3 399.623 3.579 20 0 GHADHO CC(C)(C)[C@]1(C[NH+]2CCC(Cn3ccnn3)CC2)CCN(Cc2ccccc2)C1 ZINC001308603406 1050028391 /nfs/dbraw/zinc/02/83/91/1050028391.db2.gz KOCRJSBOHYICOE-DEOSSOPVSA-N 1 3 395.595 3.929 20 0 GHADHO c1ccc([C@@H](CN2CC[C@@H]3OCCC[C@@H]3C2)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001333019095 1051633420 /nfs/dbraw/zinc/63/34/20/1051633420.db2.gz LELQTTMOSFSCHA-QVXKZJQXSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@@H](CN2CC[C@@H]3OCCC[C@@H]3C2)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001333019095 1051633428 /nfs/dbraw/zinc/63/34/28/1051633428.db2.gz LELQTTMOSFSCHA-QVXKZJQXSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@H](CN2CC[C@@H]3OCCC[C@H]3C2)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019095 1051633446 /nfs/dbraw/zinc/63/34/46/1051633446.db2.gz LELQTTMOSFSCHA-QVXKZJQXSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@H](CN2CC[C@@H]3OCCC[C@H]3C2)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019095 1051633454 /nfs/dbraw/zinc/63/34/54/1051633454.db2.gz LELQTTMOSFSCHA-QVXKZJQXSA-N 1 3 398.591 3.772 20 0 GHADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CN1Cc1ccccc1 ZINC001311436183 1052145676 /nfs/dbraw/zinc/14/56/76/1052145676.db2.gz KWIDUPFJMNEXPR-FPOVZHCZSA-N 1 3 386.584 3.603 20 0 GHADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC001311571299 1052253811 /nfs/dbraw/zinc/25/38/11/1052253811.db2.gz KHKOWALOZUXLKR-MOPGFXCFSA-N 1 3 392.613 3.647 20 0 GHADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC001311571299 1052253822 /nfs/dbraw/zinc/25/38/22/1052253822.db2.gz KHKOWALOZUXLKR-MOPGFXCFSA-N 1 3 392.613 3.647 20 0 GHADHO CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC001311645573 1052296678 /nfs/dbraw/zinc/29/66/78/1052296678.db2.gz BSLFCHZAWJKWGP-JOCHJYFZSA-N 1 3 386.584 3.687 20 0 GHADHO CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC001311645573 1052296684 /nfs/dbraw/zinc/29/66/84/1052296684.db2.gz BSLFCHZAWJKWGP-JOCHJYFZSA-N 1 3 386.584 3.687 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(c2cccs2)CCCCC1 ZINC001312048902 1052546131 /nfs/dbraw/zinc/54/61/31/1052546131.db2.gz QOKWRIIZRGCKDG-SFHVURJKSA-N 1 3 394.629 3.521 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(c2cccs2)CCCCC1 ZINC001312048902 1052546142 /nfs/dbraw/zinc/54/61/42/1052546142.db2.gz QOKWRIIZRGCKDG-SFHVURJKSA-N 1 3 394.629 3.521 20 0 GHADHO Cn1cc(-c2ccc(CNCc3ccc(OC4CC[NH+](C)CC4)cc3)cc2)cn1 ZINC001322316258 1056624230 /nfs/dbraw/zinc/62/42/30/1056624230.db2.gz WENWEMDJCLPESF-UHFFFAOYSA-N 1 3 390.531 3.850 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001300646915 1056763376 /nfs/dbraw/zinc/76/33/76/1056763376.db2.gz NCWGXBQWOFXBQY-BVSLBCMMSA-N 1 3 387.612 3.985 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001300646915 1056763383 /nfs/dbraw/zinc/76/33/83/1056763383.db2.gz NCWGXBQWOFXBQY-BVSLBCMMSA-N 1 3 387.612 3.985 20 0 GHADHO CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001325221413 1057292466 /nfs/dbraw/zinc/29/24/66/1057292466.db2.gz BBJKRSMUDBDNRW-OAQYLSRUSA-N 1 3 395.551 3.734 20 0 GHADHO COC(=O)/C=C/c1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000848886459 1057396272 /nfs/dbraw/zinc/39/62/72/1057396272.db2.gz UFBZKDINGOJDBG-ZHACJKMWSA-N 1 3 382.504 3.810 20 0 GHADHO COC(=O)/C=C/c1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000848886459 1057396277 /nfs/dbraw/zinc/39/62/77/1057396277.db2.gz UFBZKDINGOJDBG-ZHACJKMWSA-N 1 3 382.504 3.810 20 0 GHADHO COC(=O)/C=C\c1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000848886456 1057396961 /nfs/dbraw/zinc/39/69/61/1057396961.db2.gz UFBZKDINGOJDBG-KHPPLWFESA-N 1 3 382.504 3.810 20 0 GHADHO COC(=O)/C=C\c1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000848886456 1057396965 /nfs/dbraw/zinc/39/69/65/1057396965.db2.gz UFBZKDINGOJDBG-KHPPLWFESA-N 1 3 382.504 3.810 20 0 GHADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000849063750 1057574020 /nfs/dbraw/zinc/57/40/20/1057574020.db2.gz NWQYZUALMPQFAK-INIZCTEOSA-N 1 3 391.972 3.870 20 0 GHADHO [NH2+]=C(NCc1ccccc1N1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849069796 1057580041 /nfs/dbraw/zinc/58/00/41/1057580041.db2.gz WIVLUHUCEWHWIY-UHFFFAOYSA-N 1 3 391.563 3.565 20 0 GHADHO Cc1[nH]c2ccccc2c1CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849072717 1057581790 /nfs/dbraw/zinc/58/17/90/1057581790.db2.gz AARIRHVVPMPULV-UHFFFAOYSA-N 1 3 389.547 3.797 20 0 GHADHO C[C@@H](NC1(CNC(=[NH2+])Nc2cc(F)ccc2F)CCOCC1)c1ccccc1 ZINC000849082184 1057585932 /nfs/dbraw/zinc/58/59/32/1057585932.db2.gz ZCYIBTMJVKFBCE-OAHLLOKOSA-N 1 3 388.462 3.801 20 0 GHADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000849092593 1057591599 /nfs/dbraw/zinc/59/15/99/1057591599.db2.gz RZTCFYLETKWYNJ-HNNXBMFYSA-N 1 3 383.521 3.655 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(Nc3ccccc3Cl)CC2)CC1 ZINC001339931424 1059565162 /nfs/dbraw/zinc/56/51/62/1059565162.db2.gz FDIXJPBQRHYLHB-UHFFFAOYSA-N 1 3 378.992 3.632 20 0 GHADHO CCCN(C)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC001449261987 1060364298 /nfs/dbraw/zinc/36/42/98/1060364298.db2.gz DLOUNASFFTXEQY-YSIASYRMSA-N 1 3 379.976 3.960 20 0 GHADHO CC[NH+]1CCC(C(=O)N2CCN(C3CCCC3)[C@H](C)C2)(c2ccccc2)CC1 ZINC001455689196 1062263338 /nfs/dbraw/zinc/26/33/38/1062263338.db2.gz NNCBMPAEQLWJTP-HXUWFJFHSA-N 1 3 383.580 3.515 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@H](C(C)C)CC2)CC1 ZINC001459513557 1064117129 /nfs/dbraw/zinc/11/71/29/1064117129.db2.gz IRSXBBZEZNMZSK-QFIPXVFZSA-N 1 3 385.596 3.787 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@H](C(C)C)CC2)CC1 ZINC001459513557 1064117134 /nfs/dbraw/zinc/11/71/34/1064117134.db2.gz IRSXBBZEZNMZSK-QFIPXVFZSA-N 1 3 385.596 3.787 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc4ccccc4c3)CC2)CC1 ZINC000847312883 1065037151 /nfs/dbraw/zinc/03/71/51/1065037151.db2.gz SXTXFRVNAOANJZ-UHFFFAOYSA-N 1 3 379.548 3.999 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)Cc3ccccc3Cl)CC2)CC1 ZINC000847346472 1065102224 /nfs/dbraw/zinc/10/22/24/1065102224.db2.gz RHWYLCLZRICSPS-KRWDZBQOSA-N 1 3 391.987 3.584 20 0 GHADHO CC(C)[NH+](CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(C)C ZINC001467714816 1067434392 /nfs/dbraw/zinc/43/43/92/1067434392.db2.gz OAKTWBFFIIHMHE-LJQANCHMSA-N 1 3 394.629 3.939 20 0 GHADHO COc1ccc(OC)c(NC(=[NH2+])NC[C@@]2(C)CCCN2Cc2ccccc2)c1 ZINC000849098272 1067726448 /nfs/dbraw/zinc/72/64/48/1067726448.db2.gz UNAOPZFOHQFFOD-JOCHJYFZSA-N 1 3 382.508 3.695 20 0 GHADHO CSc1ccc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849106373 1067731454 /nfs/dbraw/zinc/73/14/54/1067731454.db2.gz KOYYKQUWLXIGME-UHFFFAOYSA-N 1 3 382.577 3.730 20 0 GHADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001469706617 1068325883 /nfs/dbraw/zinc/32/58/83/1068325883.db2.gz JEIXGTMFSDFWEP-IFMALSPDSA-N 1 3 388.600 3.516 20 0 GHADHO CCc1ccc([C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001460550292 1068993297 /nfs/dbraw/zinc/99/32/97/1068993297.db2.gz CMUDXUBNFJFEGP-REWPJTCUSA-N 1 3 391.575 3.961 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC001470653958 1072672438 /nfs/dbraw/zinc/67/24/38/1072672438.db2.gz PLPCABNANFOMJO-UJKMTWAASA-N 1 3 390.616 3.545 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC001470653958 1072672440 /nfs/dbraw/zinc/67/24/40/1072672440.db2.gz PLPCABNANFOMJO-UJKMTWAASA-N 1 3 390.616 3.545 20 0 GHADHO OC1CC[NH+](Cc2ccc(CNCc3ccc(OCC(F)F)cc3)cc2)CC1 ZINC001473981808 1074225630 /nfs/dbraw/zinc/22/56/30/1074225630.db2.gz OCWZPUVXXKGUQZ-UHFFFAOYSA-N 1 3 390.474 3.577 20 0 GHADHO COc1cc(C)c(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1OC ZINC001474000561 1074231628 /nfs/dbraw/zinc/23/16/28/1074231628.db2.gz IORDSRJVXLANNL-UHFFFAOYSA-N 1 3 384.520 3.777 20 0 GHADHO C/C(=C/c1ccccc1C(F)(F)F)CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC001474098974 1074263583 /nfs/dbraw/zinc/26/35/83/1074263583.db2.gz XWDUAHBDCIOCEK-AGWAZZAUSA-N 1 3 399.501 3.791 20 0 GHADHO Cc1nn(C)c2nc(Cl)c(CNCC3(c4ccccc4)CC[NH+](C)CC3)cc12 ZINC001474237518 1074304265 /nfs/dbraw/zinc/30/42/65/1074304265.db2.gz QAZTWMFHWAUBDD-UHFFFAOYSA-N 1 3 397.954 3.683 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC001474317474 1074338701 /nfs/dbraw/zinc/33/87/01/1074338701.db2.gz GWHQRQFRTYHXDK-FXAWDEMLSA-N 1 3 375.557 3.873 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC001474317474 1074338704 /nfs/dbraw/zinc/33/87/04/1074338704.db2.gz GWHQRQFRTYHXDK-FXAWDEMLSA-N 1 3 375.557 3.873 20 0 GHADHO CC(C)CCN1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC001474439523 1074406904 /nfs/dbraw/zinc/40/69/04/1074406904.db2.gz XYDHIAZTCXGKER-QGZVFWFLSA-N 1 3 397.401 3.700 20 0 GHADHO CC(C)CC[NH+]1CCC(NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC001474439523 1074406911 /nfs/dbraw/zinc/40/69/11/1074406911.db2.gz XYDHIAZTCXGKER-QGZVFWFLSA-N 1 3 397.401 3.700 20 0 GHADHO COC(=O)c1ccc(CNC2CCC(C)([NH+]3CCC3)CC2)c(Br)c1 ZINC001474737318 1074539817 /nfs/dbraw/zinc/53/98/17/1074539817.db2.gz QFIIPWKWGMHABF-UHFFFAOYSA-N 1 3 395.341 3.732 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)cc(C)n1)CC2 ZINC001164712980 720095738 /nfs/dbraw/zinc/09/57/38/720095738.db2.gz ZKVWZQPWCLLWTC-OAQYLSRUSA-N 1 3 380.536 3.601 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)cc(C)n1)CC2 ZINC001164712980 720095743 /nfs/dbraw/zinc/09/57/43/720095743.db2.gz ZKVWZQPWCLLWTC-OAQYLSRUSA-N 1 3 380.536 3.601 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431795813 837570823 /nfs/dbraw/zinc/57/08/23/837570823.db2.gz QSCZBADENDAMAV-REWPJTCUSA-N 1 3 379.548 3.802 20 0 GHADHO CCCN(CC(F)(F)F)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000625327510 837740024 /nfs/dbraw/zinc/74/00/24/837740024.db2.gz YNTCCJCCDHOMCD-IAGOWNOFSA-N 1 3 399.501 3.534 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCc1ccc(C[NH3+])cc1F ZINC000650718042 834648823 /nfs/dbraw/zinc/64/88/23/834648823.db2.gz VWPIPIPVBUROCK-LBPRGKRZSA-N 1 3 399.388 3.690 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccc(C[NH3+])cc1F ZINC000650718155 834662541 /nfs/dbraw/zinc/66/25/41/834662541.db2.gz ZTHSBWHRIJFAMZ-GFCCVEGCSA-N 1 3 394.288 3.554 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCC4)c4ccccc43)CC2)CC1 ZINC000583880879 835189732 /nfs/dbraw/zinc/18/97/32/835189732.db2.gz LSPSAQKLZFQRGN-UHFFFAOYSA-N 1 3 381.564 3.651 20 0 GHADHO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000683229769 835325257 /nfs/dbraw/zinc/32/52/57/835325257.db2.gz WENLMUUAUYZIEJ-ZKZIVCHGSA-N 1 3 382.523 3.792 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCS2 ZINC000658142923 835453005 /nfs/dbraw/zinc/45/30/05/835453005.db2.gz ZVSDTBWWNLGLFS-WIYYLYMNSA-N 1 3 384.545 3.589 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCS2 ZINC000658142923 835453012 /nfs/dbraw/zinc/45/30/12/835453012.db2.gz ZVSDTBWWNLGLFS-WIYYLYMNSA-N 1 3 384.545 3.589 20 0 GHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658139473 835465715 /nfs/dbraw/zinc/46/57/15/835465715.db2.gz LUAXWGRDXXUNBK-FYYLOGMGSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658139473 835465720 /nfs/dbraw/zinc/46/57/20/835465720.db2.gz LUAXWGRDXXUNBK-FYYLOGMGSA-N 1 3 380.532 3.874 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000154317462 835539764 /nfs/dbraw/zinc/53/97/64/835539764.db2.gz MWXVHIHKJBEEFW-HNNXBMFYSA-N 1 3 387.540 3.688 20 0 GHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179584239 835674601 /nfs/dbraw/zinc/67/46/01/835674601.db2.gz SACXSQMACWQMIE-AATRIKPKSA-N 1 3 391.987 3.769 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000513006209 844088793 /nfs/dbraw/zinc/08/87/93/844088793.db2.gz VOFQKAQJCORBEU-OAHLLOKOSA-N 1 3 388.474 3.589 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000513006209 844088802 /nfs/dbraw/zinc/08/88/02/844088802.db2.gz VOFQKAQJCORBEU-OAHLLOKOSA-N 1 3 388.474 3.589 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000500863850 844184437 /nfs/dbraw/zinc/18/44/37/844184437.db2.gz HDXJYCLONBPQNW-RTBURBONSA-N 1 3 380.602 3.695 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000500863850 844184443 /nfs/dbraw/zinc/18/44/43/844184443.db2.gz HDXJYCLONBPQNW-RTBURBONSA-N 1 3 380.602 3.695 20 0 GHADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476562 837002456 /nfs/dbraw/zinc/00/24/56/837002456.db2.gz JIQWRXYBZXMXOF-RTWAWAEBSA-N 1 3 391.559 3.819 20 0 GHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476562 837002463 /nfs/dbraw/zinc/00/24/63/837002463.db2.gz JIQWRXYBZXMXOF-RTWAWAEBSA-N 1 3 391.559 3.819 20 0 GHADHO CCc1nncn1CCN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000579981449 838244998 /nfs/dbraw/zinc/24/49/98/838244998.db2.gz PEHKOBFSEYJOGY-NRFANRHFSA-N 1 3 387.547 3.823 20 0 GHADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000415904536 838258571 /nfs/dbraw/zinc/25/85/71/838258571.db2.gz RWXNJPGXKZWUBL-OAQYLSRUSA-N 1 3 384.524 3.618 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)c1 ZINC000415933868 838282221 /nfs/dbraw/zinc/28/22/21/838282221.db2.gz OXKZSRJYWLEUFV-HXUWFJFHSA-N 1 3 386.565 3.942 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000415947052 838301330 /nfs/dbraw/zinc/30/13/30/838301330.db2.gz VNENIKCNRGPSNN-NRFANRHFSA-N 1 3 380.536 3.755 20 0 GHADHO C[C@@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H](c1ccccc1)N(C)C ZINC000415947881 838301947 /nfs/dbraw/zinc/30/19/47/838301947.db2.gz BJTGDTMRYYSETC-ACJLOTCBSA-N 1 3 394.441 3.977 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CCN(C4CC4)C3)cc2)C1 ZINC000601242284 838648915 /nfs/dbraw/zinc/64/89/15/838648915.db2.gz LBIQLPVCABQLEO-DNVFCKCGSA-N 1 3 398.595 3.543 20 0 GHADHO CCC[NH+](CCC)CCCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000377052062 838949875 /nfs/dbraw/zinc/94/98/75/838949875.db2.gz MWQDSQBSHXHVBW-UHFFFAOYSA-N 1 3 391.522 3.810 20 0 GHADHO FC(F)(F)c1ccn(-c2ccc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)n1 ZINC000415059081 839129936 /nfs/dbraw/zinc/12/99/36/839129936.db2.gz WNGCSGOGUQUSCC-WMZOPIPTSA-N 1 3 378.442 3.855 20 0 GHADHO [NH3+]C1(CNCc2sccc2Br)CCN(Cc2ccccc2)CC1 ZINC000415137271 839261818 /nfs/dbraw/zinc/26/18/18/839261818.db2.gz SSTSIZAJNYXGBI-UHFFFAOYSA-N 1 3 394.382 3.594 20 0 GHADHO C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000378572620 839350628 /nfs/dbraw/zinc/35/06/28/839350628.db2.gz PLBPSYLLXZSUQE-WIYYLYMNSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@@H](NCCc1nnc(-c2ccccc2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378572620 839350644 /nfs/dbraw/zinc/35/06/44/839350644.db2.gz PLBPSYLLXZSUQE-WIYYLYMNSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@@H](NCCc1nnc(-c2ccccc2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378572620 839350657 /nfs/dbraw/zinc/35/06/57/839350657.db2.gz PLBPSYLLXZSUQE-WIYYLYMNSA-N 1 3 376.504 3.779 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000510330420 839672848 /nfs/dbraw/zinc/67/28/48/839672848.db2.gz XGEJEYKTIPJNNX-UHFFFAOYSA-N 1 3 379.504 3.746 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000510330420 839672855 /nfs/dbraw/zinc/67/28/55/839672855.db2.gz XGEJEYKTIPJNNX-UHFFFAOYSA-N 1 3 379.504 3.746 20 0 GHADHO [NH3+]CCC[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000416784196 840156148 /nfs/dbraw/zinc/15/61/48/840156148.db2.gz IUSMREQTCJXXFQ-VXKWHMMOSA-N 1 3 380.536 3.603 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000416839142 840218142 /nfs/dbraw/zinc/21/81/42/840218142.db2.gz JKPOWJKGMKVXIY-MOPGFXCFSA-N 1 3 386.565 3.520 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000511681638 840507651 /nfs/dbraw/zinc/50/76/51/840507651.db2.gz IPBSANTVIWLMOB-UHFFFAOYSA-N 1 3 389.559 3.949 20 0 GHADHO CC(C)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N1CCc2ccccc2C1 ZINC000511772125 840712299 /nfs/dbraw/zinc/71/22/99/840712299.db2.gz XXQYZEMLFRRLJS-HSZRJFAPSA-N 1 3 379.548 3.561 20 0 GHADHO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000194859292 840881300 /nfs/dbraw/zinc/88/13/00/840881300.db2.gz BHGAJTQKPWJELK-QHCPKHFHSA-N 1 3 379.548 3.610 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cc4cnccc4o3)CC2)c1 ZINC000651672580 841297269 /nfs/dbraw/zinc/29/72/69/841297269.db2.gz FFNOJEBOQVVWOC-UHFFFAOYSA-N 1 3 378.520 3.828 20 0 GHADHO Cc1ccc2c(C3=CC[N@H+](CCCN4CCN(C(C)C)CC4)CC3)c[nH]c2c1 ZINC000500123376 841478747 /nfs/dbraw/zinc/47/87/47/841478747.db2.gz LCLUHSMPPHLNJS-UHFFFAOYSA-N 1 3 380.580 3.982 20 0 GHADHO Cc1ccc2c(C3=CC[N@@H+](CCCN4CCN(C(C)C)CC4)CC3)c[nH]c2c1 ZINC000500123376 841478752 /nfs/dbraw/zinc/47/87/52/841478752.db2.gz LCLUHSMPPHLNJS-UHFFFAOYSA-N 1 3 380.580 3.982 20 0 GHADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000651817713 841649822 /nfs/dbraw/zinc/64/98/22/841649822.db2.gz XVZLORFROVVNPP-YADHBBJMSA-N 1 3 388.596 3.956 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662824317 841705966 /nfs/dbraw/zinc/70/59/66/841705966.db2.gz BRBHEWPNGBTDFM-INIZCTEOSA-N 1 3 375.582 3.511 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662824317 841705972 /nfs/dbraw/zinc/70/59/72/841705972.db2.gz BRBHEWPNGBTDFM-INIZCTEOSA-N 1 3 375.582 3.511 20 0 GHADHO CN(C)Cc1ccc(-c2noc(CC3(c4ccc(F)cc4)CC[NH2+]CC3)n2)cc1 ZINC001211516385 841856653 /nfs/dbraw/zinc/85/66/53/841856653.db2.gz LXRLWKIBVIZGDJ-UHFFFAOYSA-N 1 3 394.494 3.801 20 0 GHADHO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295183 843086836 /nfs/dbraw/zinc/08/68/36/843086836.db2.gz FTTIURXALJASOL-HOCLYGCPSA-N 1 3 383.458 3.744 20 0 GHADHO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc2c1CNC2 ZINC000662505149 843349204 /nfs/dbraw/zinc/34/92/04/843349204.db2.gz OVVJGHMTXHEBNT-UHFFFAOYSA-N 1 3 391.437 3.513 20 0 GHADHO CCCN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418730578 843578573 /nfs/dbraw/zinc/57/85/73/843578573.db2.gz SNGRXNVQJONXFE-VSKRKVRLSA-N 1 3 386.584 3.590 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458281054 844788150 /nfs/dbraw/zinc/78/81/50/844788150.db2.gz HBELQLLEINLGKB-UHFFFAOYSA-N 1 3 399.466 3.826 20 0 GHADHO CC[C@H]1CCCCN1C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433069742 845161805 /nfs/dbraw/zinc/16/18/05/845161805.db2.gz DPSORJUZUKPNLI-QFIPXVFZSA-N 1 3 383.580 3.766 20 0 GHADHO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000512740213 845291428 /nfs/dbraw/zinc/29/14/28/845291428.db2.gz NSNYILOWIQAVEJ-RDPSFJRHSA-N 1 3 393.575 3.820 20 0 GHADHO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000512740213 845291442 /nfs/dbraw/zinc/29/14/42/845291442.db2.gz NSNYILOWIQAVEJ-RDPSFJRHSA-N 1 3 393.575 3.820 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2cccc(Cl)c2)C2CCCC2)CC1 ZINC000411472919 845490212 /nfs/dbraw/zinc/49/02/12/845490212.db2.gz IZFISSVFOSEIMB-OAQYLSRUSA-N 1 3 377.960 3.761 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000513560143 845666784 /nfs/dbraw/zinc/66/67/84/845666784.db2.gz LKOLMZKUHDOYTI-QHCPKHFHSA-N 1 3 377.532 3.677 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000513560143 845666790 /nfs/dbraw/zinc/66/67/90/845666790.db2.gz LKOLMZKUHDOYTI-QHCPKHFHSA-N 1 3 377.532 3.677 20 0 GHADHO CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000731466425 861639200 /nfs/dbraw/zinc/63/92/00/861639200.db2.gz QSIUPUGJQGULLA-QFIPXVFZSA-N 1 3 377.532 3.806 20 0 GHADHO OC1(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CCN(Cc2ccccc2)CC1 ZINC000414545207 846472520 /nfs/dbraw/zinc/47/25/20/846472520.db2.gz DUQJVGXRRWKOFQ-UHFFFAOYSA-N 1 3 394.437 3.702 20 0 GHADHO Cc1cc(Cl)cc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414552059 846557330 /nfs/dbraw/zinc/55/73/30/846557330.db2.gz GNYGFSUITLLHEC-UHFFFAOYSA-N 1 3 385.939 3.636 20 0 GHADHO Cc1ccc(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000501056994 846588102 /nfs/dbraw/zinc/58/81/02/846588102.db2.gz YBQZNMKCKFCUOW-QGZVFWFLSA-N 1 3 384.499 3.705 20 0 GHADHO CCC[C@@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501068498 846600126 /nfs/dbraw/zinc/60/01/26/846600126.db2.gz MBCMWMIFOQUQIJ-HSZRJFAPSA-N 1 3 394.563 3.887 20 0 GHADHO CSc1ccc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501080647 846623010 /nfs/dbraw/zinc/62/30/10/846623010.db2.gz ODSNIYKBBMVPHS-UHFFFAOYSA-N 1 3 384.549 3.590 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657386697 846800800 /nfs/dbraw/zinc/80/08/00/846800800.db2.gz JJZJJQZTGQMRIK-CTUHWIOQSA-N 1 3 380.532 3.855 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657386697 846800813 /nfs/dbraw/zinc/80/08/13/846800813.db2.gz JJZJJQZTGQMRIK-CTUHWIOQSA-N 1 3 380.532 3.855 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000503130748 846834107 /nfs/dbraw/zinc/83/41/07/846834107.db2.gz JCZJFRIZWMTQDK-DENIHFKCSA-N 1 3 396.579 3.588 20 0 GHADHO CCc1cc(OC)ccc1C[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000501427131 846921047 /nfs/dbraw/zinc/92/10/47/846921047.db2.gz VVQLKJUJYMTZPE-UHFFFAOYSA-N 1 3 381.564 3.685 20 0 GHADHO Cc1nn2c(C[NH2+]C[C@@H]3CN(C)C[C@H]3c3ccccc3)c(C(C)C)nc2s1 ZINC000647249398 846956121 /nfs/dbraw/zinc/95/61/21/846956121.db2.gz XNWNWICQTQUELP-MSOLQXFVSA-N 1 3 383.565 3.658 20 0 GHADHO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272682514 847144217 /nfs/dbraw/zinc/14/42/17/847144217.db2.gz SUBMGSYAMSLVPK-WIYYLYMNSA-N 1 3 381.520 3.524 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272682514 847144225 /nfs/dbraw/zinc/14/42/25/847144225.db2.gz SUBMGSYAMSLVPK-WIYYLYMNSA-N 1 3 381.520 3.524 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272682514 847144235 /nfs/dbraw/zinc/14/42/35/847144235.db2.gz SUBMGSYAMSLVPK-WIYYLYMNSA-N 1 3 381.520 3.524 20 0 GHADHO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272682510 847144553 /nfs/dbraw/zinc/14/45/53/847144553.db2.gz SUBMGSYAMSLVPK-NQIIRXRSSA-N 1 3 381.520 3.524 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272682510 847144557 /nfs/dbraw/zinc/14/45/57/847144557.db2.gz SUBMGSYAMSLVPK-NQIIRXRSSA-N 1 3 381.520 3.524 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272682510 847144561 /nfs/dbraw/zinc/14/45/61/847144561.db2.gz SUBMGSYAMSLVPK-NQIIRXRSSA-N 1 3 381.520 3.524 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000501810904 847193548 /nfs/dbraw/zinc/19/35/48/847193548.db2.gz TYOXKMQUGOHHKX-JOCHJYFZSA-N 1 3 386.584 3.587 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc(O[C@H]4CCOC4)cc3)cc2)CC1 ZINC000657459805 847564629 /nfs/dbraw/zinc/56/46/29/847564629.db2.gz GTIPUXWDJUJNEO-DEOSSOPVSA-N 1 3 396.531 3.617 20 0 GHADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3nc(-c4ccccc4C)no3)CC2)CC1 ZINC000420981687 847589413 /nfs/dbraw/zinc/58/94/13/847589413.db2.gz NLUDSRKQBNRTDT-IBGZPJMESA-N 1 3 397.567 3.598 20 0 GHADHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3nc(-c4ccccc4C)no3)CC2)CC1 ZINC000420981687 847589423 /nfs/dbraw/zinc/58/94/23/847589423.db2.gz NLUDSRKQBNRTDT-IBGZPJMESA-N 1 3 397.567 3.598 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719320 847795127 /nfs/dbraw/zinc/79/51/27/847795127.db2.gz YMHMZNPNHCWEFO-PBHICJAKSA-N 1 3 389.341 3.541 20 0 GHADHO FC(F)(F)COc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800952 847828689 /nfs/dbraw/zinc/82/86/89/847828689.db2.gz DINCUBBIASBQHZ-ICSRJNTNSA-N 1 3 392.421 3.973 20 0 GHADHO c1ccc([C@H](CN2CCCC2)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800262 847828842 /nfs/dbraw/zinc/82/88/42/847828842.db2.gz AZXXTNTYQZCFQE-AOHZBQACSA-N 1 3 377.532 3.669 20 0 GHADHO CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000611663163 847835607 /nfs/dbraw/zinc/83/56/07/847835607.db2.gz PCAHWCSAHVXNLA-LJQANCHMSA-N 1 3 394.629 3.750 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422869185 847859468 /nfs/dbraw/zinc/85/94/68/847859468.db2.gz WWEMHXYLGCROJH-QUZZAMIASA-N 1 3 382.504 3.919 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422910118 847882397 /nfs/dbraw/zinc/88/23/97/847882397.db2.gz PUNVDCNGGPISRJ-HNAYVOBHSA-N 1 3 390.934 3.956 20 0 GHADHO COc1cc(Br)ccc1CCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423038278 847950581 /nfs/dbraw/zinc/95/05/81/847950581.db2.gz YEONQSHFDTYVQS-CYBMUJFWSA-N 1 3 392.341 3.903 20 0 GHADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423068740 847960868 /nfs/dbraw/zinc/96/08/68/847960868.db2.gz KWKAKXCZVOITOM-DETPVDSQSA-N 1 3 376.850 3.732 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596175 848289842 /nfs/dbraw/zinc/28/98/42/848289842.db2.gz MAUTVPLUYNMXCB-CJNGLKHVSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596175 848289851 /nfs/dbraw/zinc/28/98/51/848289851.db2.gz MAUTVPLUYNMXCB-CJNGLKHVSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000162541783 849158648 /nfs/dbraw/zinc/15/86/48/849158648.db2.gz VEUXFFDLHJGXBV-KRWDZBQOSA-N 1 3 396.535 3.762 20 0 GHADHO Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc(OCC[NH+](C)C)cc3)cn2)n1 ZINC000162762162 849440455 /nfs/dbraw/zinc/44/04/55/849440455.db2.gz SGTICXXETAPNFX-LJQANCHMSA-N 1 3 393.535 3.675 20 0 GHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(I)c1 ZINC000423397479 849901071 /nfs/dbraw/zinc/90/10/71/849901071.db2.gz SZNXXVCBHVEVEJ-NSHDSACASA-N 1 3 396.247 3.884 20 0 GHADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)C1 ZINC000414746934 849939906 /nfs/dbraw/zinc/93/99/06/849939906.db2.gz MIALAVIVGUNCTD-INIZCTEOSA-N 1 3 397.485 3.647 20 0 GHADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)C1 ZINC000414746934 849939911 /nfs/dbraw/zinc/93/99/11/849939911.db2.gz MIALAVIVGUNCTD-INIZCTEOSA-N 1 3 397.485 3.647 20 0 GHADHO CC[C@H](C)[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000518784375 850147577 /nfs/dbraw/zinc/14/75/77/850147577.db2.gz YFUQDLVQFGDQMH-YCRPNKLZSA-N 1 3 377.960 3.760 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743184 850225729 /nfs/dbraw/zinc/22/57/29/850225729.db2.gz UHUIBKHHBNVZAP-PKTZIBPZSA-N 1 3 396.531 3.671 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743184 850225739 /nfs/dbraw/zinc/22/57/39/850225739.db2.gz UHUIBKHHBNVZAP-PKTZIBPZSA-N 1 3 396.531 3.671 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000518978812 850447439 /nfs/dbraw/zinc/44/74/39/850447439.db2.gz DPHNKUAEXMMQKF-RBBKRZOGSA-N 1 3 386.584 3.777 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1 ZINC000513835289 850929143 /nfs/dbraw/zinc/92/91/43/850929143.db2.gz KOMJJDQUJGONJN-UHFFFAOYSA-N 1 3 395.547 3.737 20 0 GHADHO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000569979429 851150136 /nfs/dbraw/zinc/15/01/36/851150136.db2.gz SZLCOFOFJPWASH-GOTSBHOMSA-N 1 3 387.531 3.530 20 0 GHADHO Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000569979429 851150137 /nfs/dbraw/zinc/15/01/37/851150137.db2.gz SZLCOFOFJPWASH-GOTSBHOMSA-N 1 3 387.531 3.530 20 0 GHADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000111240853 851578492 /nfs/dbraw/zinc/57/84/92/851578492.db2.gz WCQSAMWJYSVEQB-HNNXBMFYSA-N 1 3 375.340 3.539 20 0 GHADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000111240853 851578500 /nfs/dbraw/zinc/57/85/00/851578500.db2.gz WCQSAMWJYSVEQB-HNNXBMFYSA-N 1 3 375.340 3.539 20 0 GHADHO C[C@H]1C[NH+](CCC2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)C[C@H](C)O1 ZINC000438119483 852026805 /nfs/dbraw/zinc/02/68/05/852026805.db2.gz SXTAQOKDCGLMPL-IRXDYDNUSA-N 1 3 388.581 3.850 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000536261122 852257827 /nfs/dbraw/zinc/25/78/27/852257827.db2.gz ALSRTUUCDFCGEM-DHIUTWEWSA-N 1 3 377.532 3.846 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000536261122 852257835 /nfs/dbraw/zinc/25/78/35/852257835.db2.gz ALSRTUUCDFCGEM-DHIUTWEWSA-N 1 3 377.532 3.846 20 0 GHADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894332427 853015768 /nfs/dbraw/zinc/01/57/68/853015768.db2.gz PTFOGYVVYNFYQN-IRXDYDNUSA-N 1 3 379.957 3.807 20 0 GHADHO CC[NH+]1CCC(N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000426288538 853342044 /nfs/dbraw/zinc/34/20/44/853342044.db2.gz JKJGCXQIYJCMRH-OFNKIYASSA-N 1 3 384.495 3.651 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)N(C)C)cc1 ZINC000520108720 853851877 /nfs/dbraw/zinc/85/18/77/853851877.db2.gz TXENBHPEDWVNAY-GGAORHGYSA-N 1 3 397.538 3.765 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)N(C)C)cc1 ZINC000520108720 853851883 /nfs/dbraw/zinc/85/18/83/853851883.db2.gz TXENBHPEDWVNAY-GGAORHGYSA-N 1 3 397.538 3.765 20 0 GHADHO CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H]1c1ccccc1 ZINC000536263655 854165069 /nfs/dbraw/zinc/16/50/69/854165069.db2.gz LKZKTJKKSWRSMC-AKIFATBCSA-N 1 3 395.522 3.599 20 0 GHADHO CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H]1c1ccccc1 ZINC000536263655 854165077 /nfs/dbraw/zinc/16/50/77/854165077.db2.gz LKZKTJKKSWRSMC-AKIFATBCSA-N 1 3 395.522 3.599 20 0 GHADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2ccccc2c1 ZINC000112542250 854246355 /nfs/dbraw/zinc/24/63/55/854246355.db2.gz JLOQBQVZJQOOEO-SFHVURJKSA-N 1 3 375.516 3.982 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000588710273 854368667 /nfs/dbraw/zinc/36/86/67/854368667.db2.gz JAUUSZKGGCLPCQ-HDICACEKSA-N 1 3 380.960 3.930 20 0 GHADHO COc1ccc([C@H]2C[C@H](N3CCC([NH3+])(c4cccc(OC)c4)CC3)CCO2)cc1 ZINC001168616936 855064889 /nfs/dbraw/zinc/06/48/89/855064889.db2.gz OHBFWJHMSHIWEZ-NFBKMPQASA-N 1 3 396.531 3.874 20 0 GHADHO CCCN1CCC([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000624106282 862659908 /nfs/dbraw/zinc/65/99/08/862659908.db2.gz VOQZZZVXSYVXBF-HSZRJFAPSA-N 1 3 377.532 3.848 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000590147020 855298029 /nfs/dbraw/zinc/29/80/29/855298029.db2.gz CUKPFCFJSSBFSZ-RBBKRZOGSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000590147020 855298034 /nfs/dbraw/zinc/29/80/34/855298034.db2.gz CUKPFCFJSSBFSZ-RBBKRZOGSA-N 1 3 386.584 3.777 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCN(C4CCCC4)CC3)c2)CC1 ZINC000590354478 855379574 /nfs/dbraw/zinc/37/95/74/855379574.db2.gz CHIOVBXYVZYEPM-UHFFFAOYSA-N 1 3 398.595 3.688 20 0 GHADHO CSc1nnc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)n1CC(C)C ZINC000165624216 855508689 /nfs/dbraw/zinc/50/86/89/855508689.db2.gz FEKLWTABGHCSMZ-UHFFFAOYSA-N 1 3 393.645 3.975 20 0 GHADHO CSc1nnc(CCCNC2CC[NH+](C3CCCCC3)CC2)n1CC(C)C ZINC000165624216 855508694 /nfs/dbraw/zinc/50/86/94/855508694.db2.gz FEKLWTABGHCSMZ-UHFFFAOYSA-N 1 3 393.645 3.975 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168001877 855530388 /nfs/dbraw/zinc/53/03/88/855530388.db2.gz JXTNJUSRUYHSNV-RBGXYZBUSA-N 1 3 389.584 3.627 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168001877 855530391 /nfs/dbraw/zinc/53/03/91/855530391.db2.gz JXTNJUSRUYHSNV-RBGXYZBUSA-N 1 3 389.584 3.627 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573079042 855856532 /nfs/dbraw/zinc/85/65/32/855856532.db2.gz PNUPGXDGDKZSQW-JTHBVZDNSA-N 1 3 387.531 3.530 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573079042 855856542 /nfs/dbraw/zinc/85/65/42/855856542.db2.gz PNUPGXDGDKZSQW-JTHBVZDNSA-N 1 3 387.531 3.530 20 0 GHADHO COc1cc(C[NH2+]C[C@H]2CCCN(C)C2)cc(OC)c1OCc1ccccc1 ZINC000108428498 855871622 /nfs/dbraw/zinc/87/16/22/855871622.db2.gz XBPFRLMZFGHTHI-LJQANCHMSA-N 1 3 384.520 3.714 20 0 GHADHO COc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc(OC)c1OCc1ccccc1 ZINC000108428500 855872046 /nfs/dbraw/zinc/87/20/46/855872046.db2.gz XBPFRLMZFGHTHI-IBGZPJMESA-N 1 3 384.520 3.714 20 0 GHADHO C[C@@H]1C[NH+](CCCCNCc2csc(-c3ccc(F)cc3)n2)C[C@@H](C)O1 ZINC000067452735 856266986 /nfs/dbraw/zinc/26/69/86/856266986.db2.gz XWOPBZPWPNUHMJ-HZPDHXFCSA-N 1 3 377.529 3.928 20 0 GHADHO C[C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000520751413 856339927 /nfs/dbraw/zinc/33/99/27/856339927.db2.gz BBRNQYTXWRPSNT-FGTMMUONSA-N 1 3 391.987 3.930 20 0 GHADHO C[C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000520751413 856339937 /nfs/dbraw/zinc/33/99/37/856339937.db2.gz BBRNQYTXWRPSNT-FGTMMUONSA-N 1 3 391.987 3.930 20 0 GHADHO COC[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1F ZINC000658070154 856383997 /nfs/dbraw/zinc/38/39/97/856383997.db2.gz MYJSWADPWQQVTP-LJQANCHMSA-N 1 3 384.923 3.647 20 0 GHADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485474833 856638058 /nfs/dbraw/zinc/63/80/58/856638058.db2.gz DLMAEIIFDVSADS-QHCPKHFHSA-N 1 3 389.543 3.928 20 0 GHADHO CC[C@@H]1Cc2ccccc2CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000574171954 857315766 /nfs/dbraw/zinc/31/57/66/857315766.db2.gz WUIRNWTVTFKWKB-JOCHJYFZSA-N 1 3 383.580 3.546 20 0 GHADHO C[N@H+](CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000060061311 857405072 /nfs/dbraw/zinc/40/50/72/857405072.db2.gz FGZMEGBQAAULTH-QFIPXVFZSA-N 1 3 397.538 3.676 20 0 GHADHO C[N@@H+](CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000060061311 857405080 /nfs/dbraw/zinc/40/50/80/857405080.db2.gz FGZMEGBQAAULTH-QFIPXVFZSA-N 1 3 397.538 3.676 20 0 GHADHO O[C@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391797 857444992 /nfs/dbraw/zinc/44/49/92/857444992.db2.gz CWMMGRZZBDTQQC-WOJBJXKFSA-N 1 3 388.939 3.582 20 0 GHADHO O[C@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391797 857444997 /nfs/dbraw/zinc/44/49/97/857444997.db2.gz CWMMGRZZBDTQQC-WOJBJXKFSA-N 1 3 388.939 3.582 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000486225184 857553464 /nfs/dbraw/zinc/55/34/64/857553464.db2.gz BQGOWEDTFORRML-IRLDBZIGSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000486225184 857553473 /nfs/dbraw/zinc/55/34/73/857553473.db2.gz BQGOWEDTFORRML-IRLDBZIGSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H](CNC(=O)OC(C)(C)C)NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013689 857707527 /nfs/dbraw/zinc/70/75/27/857707527.db2.gz IMYBYJZTGDZFPK-SQNIBIBYSA-N 1 3 375.557 3.931 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000065469830 857802079 /nfs/dbraw/zinc/80/20/79/857802079.db2.gz BVDFMZRRXQEJPL-QHCPKHFHSA-N 1 3 396.579 3.939 20 0 GHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000442859583 858180525 /nfs/dbraw/zinc/18/05/25/858180525.db2.gz ANWRGXCAWUSLLO-CABCVRRESA-N 1 3 388.383 3.765 20 0 GHADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)cc(Br)c1 ZINC000442872551 858189722 /nfs/dbraw/zinc/18/97/22/858189722.db2.gz JSIGGQYPGHFZSM-KRWDZBQOSA-N 1 3 386.353 3.655 20 0 GHADHO COCCC[NH+]1CCC(N[C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079296 858217571 /nfs/dbraw/zinc/21/75/71/858217571.db2.gz JHTOIWFBUHIBCL-LJQANCHMSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000443107816 858365327 /nfs/dbraw/zinc/36/53/27/858365327.db2.gz ZMCDHNUUPZRTTC-GCJKJVERSA-N 1 3 387.568 3.601 20 0 GHADHO CC(C)[C@H](CC1CCCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000115351972 858505544 /nfs/dbraw/zinc/50/55/44/858505544.db2.gz VMQUMXWPARZKHI-QFIPXVFZSA-N 1 3 377.617 3.904 20 0 GHADHO CC(C)CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000115675736 858614064 /nfs/dbraw/zinc/61/40/64/858614064.db2.gz RRRVYPJISYXDFS-HXUWFJFHSA-N 1 3 380.621 3.695 20 0 GHADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000482875671 858934008 /nfs/dbraw/zinc/93/40/08/858934008.db2.gz MCLJSTPHQOLTTF-IBGZPJMESA-N 1 3 379.548 3.947 20 0 GHADHO c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146496 858936031 /nfs/dbraw/zinc/93/60/31/858936031.db2.gz IIWBCAQNNJWBPE-LOSJGSFVSA-N 1 3 392.543 3.952 20 0 GHADHO c1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146496 858936039 /nfs/dbraw/zinc/93/60/39/858936039.db2.gz IIWBCAQNNJWBPE-LOSJGSFVSA-N 1 3 392.543 3.952 20 0 GHADHO COc1ccc(C[C@H](CO)NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168022591 859024569 /nfs/dbraw/zinc/02/45/69/859024569.db2.gz TYOCDVCWUFNAII-SFYKDHMMSA-N 1 3 382.548 3.630 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000483133844 859171457 /nfs/dbraw/zinc/17/14/57/859171457.db2.gz JXORRTSHPZYFLW-HFMPRLQTSA-N 1 3 387.612 3.939 20 0 GHADHO CN(CCNC(=O)C1CC[NH+](CCCC2CCCC2)CC1)Cc1ccccc1 ZINC000483237156 859233257 /nfs/dbraw/zinc/23/32/57/859233257.db2.gz ASRQHIGDYXQACR-UHFFFAOYSA-N 1 3 385.596 3.917 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2cccc3ccccc32)CC1 ZINC000114455642 859614035 /nfs/dbraw/zinc/61/40/35/859614035.db2.gz ICJHBZBQBPJEPG-HSZRJFAPSA-N 1 3 379.548 3.966 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(OC4CCCCC4)cc3)CC2)CC1 ZINC000117774911 859617836 /nfs/dbraw/zinc/61/78/36/859617836.db2.gz CBKFAVBEBVZFOB-UHFFFAOYSA-N 1 3 399.579 3.687 20 0 GHADHO COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)n2c1CCCC2 ZINC000598639536 860467655 /nfs/dbraw/zinc/46/76/55/860467655.db2.gz TWNITSFHOKLCDC-QUCCMNQESA-N 1 3 395.547 3.611 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000904515885 860486080 /nfs/dbraw/zinc/48/60/80/860486080.db2.gz PMXIHECMGNJMNG-UHFFFAOYSA-N 1 3 390.531 3.909 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000102559565 860773405 /nfs/dbraw/zinc/77/34/05/860773405.db2.gz AUGBSYRJVOBRJO-INIZCTEOSA-N 1 3 381.948 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000102559565 860773412 /nfs/dbraw/zinc/77/34/12/860773412.db2.gz AUGBSYRJVOBRJO-INIZCTEOSA-N 1 3 381.948 3.777 20 0 GHADHO CO[C@@H](C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606116 881582090 /nfs/dbraw/zinc/58/20/90/881582090.db2.gz IKEFLOYOWDDRPK-GOTSBHOMSA-N 1 3 389.584 3.970 20 0 GHADHO CO[C@@H](C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606116 881582098 /nfs/dbraw/zinc/58/20/98/881582098.db2.gz IKEFLOYOWDDRPK-GOTSBHOMSA-N 1 3 389.584 3.970 20 0 GHADHO Cn1c2ccc(CNC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000192590807 860882428 /nfs/dbraw/zinc/88/24/28/860882428.db2.gz FAYRPRPXFZFBLL-BEFAXECRSA-N 1 3 387.574 3.834 20 0 GHADHO Cn1c2ccc(CNC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000192590807 860882437 /nfs/dbraw/zinc/88/24/37/860882437.db2.gz FAYRPRPXFZFBLL-BEFAXECRSA-N 1 3 387.574 3.834 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000126026108 860908904 /nfs/dbraw/zinc/90/89/04/860908904.db2.gz MSAMOHOOSUYAFR-IBGZPJMESA-N 1 3 386.584 3.555 20 0 GHADHO Cc1nc2ccc(C[NH2+]Cc3ccc(CN4CCN(C)CC4)cc3)cc2s1 ZINC000494363013 881593784 /nfs/dbraw/zinc/59/37/84/881593784.db2.gz CEVYJJIXOWCBFS-UHFFFAOYSA-N 1 3 380.561 3.642 20 0 GHADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000429063358 860934092 /nfs/dbraw/zinc/93/40/92/860934092.db2.gz HMOFHSVBKBAMDH-HSZRJFAPSA-N 1 3 377.532 3.658 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000532269942 881641108 /nfs/dbraw/zinc/64/11/08/881641108.db2.gz IJQKNKRTLKBKFG-OALUTQOASA-N 1 3 397.346 3.737 20 0 GHADHO c1ccc([C@H](CN2CCC[C@H]3COCC[C@H]32)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516319 863602558 /nfs/dbraw/zinc/60/25/58/863602558.db2.gz QVVIPRJITMFSSM-TWNZBZMVSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@H](CN2CCC[C@H]3COCC[C@H]32)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516319 863602560 /nfs/dbraw/zinc/60/25/60/863602560.db2.gz QVVIPRJITMFSSM-TWNZBZMVSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@@H](CN2CCC[C@@H]3COCC[C@@H]32)C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000639516319 863602566 /nfs/dbraw/zinc/60/25/66/863602566.db2.gz QVVIPRJITMFSSM-TWNZBZMVSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@@H](CN2CCC[C@@H]3COCC[C@@H]32)C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000639516319 863602572 /nfs/dbraw/zinc/60/25/72/863602572.db2.gz QVVIPRJITMFSSM-TWNZBZMVSA-N 1 3 398.591 3.772 20 0 GHADHO C[NH+](C)CCOC1CCN(Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667617698 864022038 /nfs/dbraw/zinc/02/20/38/864022038.db2.gz ZNQDUATUTAIQRD-UHFFFAOYSA-N 1 3 381.314 3.738 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000734510739 864269446 /nfs/dbraw/zinc/26/94/46/864269446.db2.gz YWZGYJVALZTBEM-KSSFIOAISA-N 1 3 390.597 3.843 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000734510739 864269461 /nfs/dbraw/zinc/26/94/61/864269461.db2.gz YWZGYJVALZTBEM-KSSFIOAISA-N 1 3 390.597 3.843 20 0 GHADHO Cc1ccc(-c2ccc(C[NH2+]Cc3ccc(N4CCN(C)CC4)nc3)o2)cc1 ZINC000128398936 864455800 /nfs/dbraw/zinc/45/58/00/864455800.db2.gz FZPPEJUCGPKDKB-UHFFFAOYSA-N 1 3 376.504 3.692 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)N(C)C)cc1 ZINC000182563701 864612857 /nfs/dbraw/zinc/61/28/57/864612857.db2.gz HXOHZMLZGBWYFS-DWLFOUALSA-N 1 3 386.584 3.550 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)N(C)C)cc1 ZINC000182563701 864612859 /nfs/dbraw/zinc/61/28/59/864612859.db2.gz HXOHZMLZGBWYFS-DWLFOUALSA-N 1 3 386.584 3.550 20 0 GHADHO COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc(OC)c1OCc1ccccc1 ZINC000030907301 864806923 /nfs/dbraw/zinc/80/69/23/864806923.db2.gz HHLMHQPYBPBWKV-LJQANCHMSA-N 1 3 396.531 3.857 20 0 GHADHO Brc1ccccc1CCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000554738611 864808792 /nfs/dbraw/zinc/80/87/92/864808792.db2.gz PJYGFYVFVMNRAR-UHFFFAOYSA-N 1 3 395.385 3.959 20 0 GHADHO COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184700271 864863732 /nfs/dbraw/zinc/86/37/32/864863732.db2.gz MXYVSSSDYDLYSX-UHFFFAOYSA-N 1 3 384.948 3.625 20 0 GHADHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184700271 864863740 /nfs/dbraw/zinc/86/37/40/864863740.db2.gz MXYVSSSDYDLYSX-UHFFFAOYSA-N 1 3 384.948 3.625 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@@H](C)C1 ZINC000480691356 865097521 /nfs/dbraw/zinc/09/75/21/865097521.db2.gz FRTBDPRQXGZDDH-UNMCSNQZSA-N 1 3 388.600 3.689 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001170423374 881837141 /nfs/dbraw/zinc/83/71/41/881837141.db2.gz DXTIEURHGWLTGE-OAQYLSRUSA-N 1 3 381.520 3.633 20 0 GHADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000567642484 865987162 /nfs/dbraw/zinc/98/71/62/865987162.db2.gz JBLAUOWBXSUWJW-KNQAVFIVSA-N 1 3 399.922 3.823 20 0 GHADHO CSc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000481197014 865989083 /nfs/dbraw/zinc/98/90/83/865989083.db2.gz ZPDIKBPWBAVNIF-DYESRHJHSA-N 1 3 383.561 3.847 20 0 GHADHO CN(C)C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000478738730 866569061 /nfs/dbraw/zinc/56/90/61/866569061.db2.gz KUGOQALBGFIWTO-JOCHJYFZSA-N 1 3 398.526 3.524 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000523203071 866853648 /nfs/dbraw/zinc/85/36/48/866853648.db2.gz JMLJDXHEUQHCPU-SBHAEUEKSA-N 1 3 386.584 3.632 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000523203071 866853668 /nfs/dbraw/zinc/85/36/68/866853668.db2.gz JMLJDXHEUQHCPU-SBHAEUEKSA-N 1 3 386.584 3.632 20 0 GHADHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154397873 867390206 /nfs/dbraw/zinc/39/02/06/867390206.db2.gz WRTVJQRXJRUNHU-GOSISDBHSA-N 1 3 386.609 3.721 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000523784374 867958651 /nfs/dbraw/zinc/95/86/51/867958651.db2.gz SUXLHDAPPRLYRL-OALUTQOASA-N 1 3 392.613 3.504 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000523784374 867958660 /nfs/dbraw/zinc/95/86/60/867958660.db2.gz SUXLHDAPPRLYRL-OALUTQOASA-N 1 3 392.613 3.504 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)c1ccco1 ZINC000857256468 882148141 /nfs/dbraw/zinc/14/81/41/882148141.db2.gz JBJFBAHOUAMUAG-IOMROCGXSA-N 1 3 383.536 3.948 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857256468 882148153 /nfs/dbraw/zinc/14/81/53/882148153.db2.gz JBJFBAHOUAMUAG-IOMROCGXSA-N 1 3 383.536 3.948 20 0 GHADHO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272271678 868476021 /nfs/dbraw/zinc/47/60/21/868476021.db2.gz BMRMYXVNRGIUDF-UEXGIBASSA-N 1 3 386.561 3.651 20 0 GHADHO CCc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156968150 868515841 /nfs/dbraw/zinc/51/58/41/868515841.db2.gz BGHSVQBIXKXFQL-APWZRJJASA-N 1 3 385.577 3.859 20 0 GHADHO CCc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156968150 868515850 /nfs/dbraw/zinc/51/58/50/868515850.db2.gz BGHSVQBIXKXFQL-APWZRJJASA-N 1 3 385.577 3.859 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)N2CCCC2)cc1 ZINC000158120564 868865903 /nfs/dbraw/zinc/86/59/03/868865903.db2.gz XNENWPJHCQRENQ-XZOQPEGZSA-N 1 3 398.595 3.792 20 0 GHADHO COCCN(C)c1ccc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)cn1 ZINC000190720624 882253505 /nfs/dbraw/zinc/25/35/05/882253505.db2.gz QNPKUAVGTLHSNU-UHFFFAOYSA-N 1 3 396.579 3.686 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)cc2)CC1 ZINC000190802604 882275157 /nfs/dbraw/zinc/27/51/57/882275157.db2.gz LSXCUJMMHNCTHC-UHFFFAOYSA-N 1 3 379.548 3.513 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc(Br)o2)C[C@@H](C)O1 ZINC000190834180 882282819 /nfs/dbraw/zinc/28/28/19/882282819.db2.gz OJYMGBGOQYVVGZ-HUUCEWRRSA-N 1 3 393.325 3.941 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CN1Cc1ccccc1 ZINC000446592405 870041920 /nfs/dbraw/zinc/04/19/20/870041920.db2.gz WSFSKROHKOAQPJ-GHTZIAJQSA-N 1 3 380.536 3.575 20 0 GHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000248139583 870298029 /nfs/dbraw/zinc/29/80/29/870298029.db2.gz PMYWTWSVEBVNGB-AGILITTLSA-N 1 3 384.612 3.926 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000248433972 870413079 /nfs/dbraw/zinc/41/30/79/870413079.db2.gz DNVSRVRCJVCKOO-DNVCBOLYSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000248433972 870413100 /nfs/dbraw/zinc/41/31/00/870413100.db2.gz DNVSRVRCJVCKOO-DNVCBOLYSA-N 1 3 376.447 3.705 20 0 GHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248574469 870505278 /nfs/dbraw/zinc/50/52/78/870505278.db2.gz SPPOWGWEGQIVET-IPELMVKDSA-N 1 3 383.374 3.859 20 0 GHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248574469 870505297 /nfs/dbraw/zinc/50/52/97/870505297.db2.gz SPPOWGWEGQIVET-IPELMVKDSA-N 1 3 383.374 3.859 20 0 GHADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248601474 870527434 /nfs/dbraw/zinc/52/74/34/870527434.db2.gz VGDZKLMLBUBUDA-ZIFCJYIRSA-N 1 3 380.960 3.631 20 0 GHADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248601474 870527450 /nfs/dbraw/zinc/52/74/50/870527450.db2.gz VGDZKLMLBUBUDA-ZIFCJYIRSA-N 1 3 380.960 3.631 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000540158817 870619538 /nfs/dbraw/zinc/61/95/38/870619538.db2.gz ZNAHZHXVUVYMSQ-IGNZVWTISA-N 1 3 385.321 3.617 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000540159232 870620810 /nfs/dbraw/zinc/62/08/10/870620810.db2.gz XDQNNYTVYQVRKW-JPYJTQIMSA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000540159232 870620819 /nfs/dbraw/zinc/62/08/19/870620819.db2.gz XDQNNYTVYQVRKW-JPYJTQIMSA-N 1 3 384.520 3.583 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000525448093 870704512 /nfs/dbraw/zinc/70/45/12/870704512.db2.gz MZQREAKMEYWEJB-NZQKXSOJSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000525448093 870704516 /nfs/dbraw/zinc/70/45/16/870704516.db2.gz MZQREAKMEYWEJB-NZQKXSOJSA-N 1 3 394.563 3.595 20 0 GHADHO O[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC[C@H](C(F)(F)F)C1 ZINC000249178322 870780446 /nfs/dbraw/zinc/78/04/46/870780446.db2.gz GMSYOALLPRZNEH-FDKIHUSFSA-N 1 3 396.497 3.970 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@H]3O)CC1)CCCS2 ZINC000249215783 870791336 /nfs/dbraw/zinc/79/13/36/870791336.db2.gz ZXMSZUIJKBWRSN-QHAWAJNXSA-N 1 3 390.593 3.980 20 0 GHADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168872419 870956009 /nfs/dbraw/zinc/95/60/09/870956009.db2.gz MGYWDBRJKIFAEZ-TZIWHRDSSA-N 1 3 399.579 3.982 20 0 GHADHO COC(=O)[C@@](C)(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000447092270 870979105 /nfs/dbraw/zinc/97/91/05/870979105.db2.gz AIJMOLIWJKJIFR-DEOSSOPVSA-N 1 3 398.522 3.553 20 0 GHADHO C[C@@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000163576645 870998588 /nfs/dbraw/zinc/99/85/88/870998588.db2.gz OZKIIQQMYXOAOP-IPMKNSEASA-N 1 3 377.598 3.663 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000897351852 871012599 /nfs/dbraw/zinc/01/25/99/871012599.db2.gz BAIGAFKDOFAJQT-JUXOCIIHSA-N 1 3 387.568 3.504 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000897351852 871012634 /nfs/dbraw/zinc/01/26/34/871012634.db2.gz BAIGAFKDOFAJQT-JUXOCIIHSA-N 1 3 387.568 3.504 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000539071138 871258786 /nfs/dbraw/zinc/25/87/86/871258786.db2.gz UTBOTGWORRFNNS-XHSDSOJGSA-N 1 3 399.373 3.998 20 0 GHADHO CCN(CC)C(=O)C[C@H](C)N1CCC([NH3+])(Cc2ccccc2C(F)(F)F)CC1 ZINC001169451477 871512241 /nfs/dbraw/zinc/51/22/41/871512241.db2.gz HMLMVBIVBJWNQU-INIZCTEOSA-N 1 3 399.501 3.688 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCN1CCc3sccc3C1)c1ccccc1O2 ZINC000539375833 871818447 /nfs/dbraw/zinc/81/84/47/871818447.db2.gz LQBQXGQYVICMHO-HXUWFJFHSA-N 1 3 397.588 3.684 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NCCOc1ccc(Cl)cn1)c1ccccc1O2 ZINC000539395693 871849453 /nfs/dbraw/zinc/84/94/53/871849453.db2.gz YHWPZWNKHYAHCD-SFHVURJKSA-N 1 3 387.911 3.692 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H](C)O1 ZINC000478185990 872643279 /nfs/dbraw/zinc/64/32/79/872643279.db2.gz XSZDYUYEVCZKGE-ROUUACIJSA-N 1 3 376.541 3.621 20 0 GHADHO COc1cc(NCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000552580738 872850254 /nfs/dbraw/zinc/85/02/54/872850254.db2.gz ASPVBXSXELOERI-ICSRJNTNSA-N 1 3 383.536 3.758 20 0 GHADHO COc1cc(NCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000552580738 872850268 /nfs/dbraw/zinc/85/02/68/872850268.db2.gz ASPVBXSXELOERI-ICSRJNTNSA-N 1 3 383.536 3.758 20 0 GHADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@@H]1c1ccccc1 ZINC000541239845 873203493 /nfs/dbraw/zinc/20/34/93/873203493.db2.gz PIGQEKXVCDDYBF-WDJPJFJCSA-N 1 3 391.559 3.794 20 0 GHADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882233 882762732 /nfs/dbraw/zinc/76/27/32/882762732.db2.gz IYOSEKLAYQQXII-GOTSBHOMSA-N 1 3 392.543 3.509 20 0 GHADHO c1ccc(C[N@H+]2C[C@H](CN[C@@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882233 882762744 /nfs/dbraw/zinc/76/27/44/882762744.db2.gz IYOSEKLAYQQXII-GOTSBHOMSA-N 1 3 392.543 3.509 20 0 GHADHO c1ccc(C[N@@H+]2C[C@H](CN[C@@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882233 882762748 /nfs/dbraw/zinc/76/27/48/882762748.db2.gz IYOSEKLAYQQXII-GOTSBHOMSA-N 1 3 392.543 3.509 20 0 GHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769196260 873878411 /nfs/dbraw/zinc/87/84/11/873878411.db2.gz UGAZQZGKCCNTCL-HXUWFJFHSA-N 1 3 389.584 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769196260 873878429 /nfs/dbraw/zinc/87/84/29/873878429.db2.gz UGAZQZGKCCNTCL-HXUWFJFHSA-N 1 3 389.584 3.991 20 0 GHADHO CC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000537648680 882834473 /nfs/dbraw/zinc/83/44/73/882834473.db2.gz RZEVQJPYNUETAM-DEOSSOPVSA-N 1 3 395.591 3.990 20 0 GHADHO Cc1ccoc1C(=O)NCCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449163316 874560425 /nfs/dbraw/zinc/56/04/25/874560425.db2.gz LTULVQFVBGRPSO-UHFFFAOYSA-N 1 3 377.573 3.977 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cccc3ccoc32)cc1 ZINC000449226346 874615863 /nfs/dbraw/zinc/61/58/63/874615863.db2.gz RDXJPQAUPURVGF-UHFFFAOYSA-N 1 3 377.488 3.548 20 0 GHADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C3(C2)CCOCC3)cc1 ZINC000449346114 874740201 /nfs/dbraw/zinc/74/02/01/874740201.db2.gz YJUJDFRLTVYXMP-FCHUYYIVSA-N 1 3 384.564 3.607 20 0 GHADHO CC1CC[NH+](Cc2ccc(CN[C@@H]3CCC4(C[C@@H]3F)OCCO4)cc2)CC1 ZINC001199109770 874823403 /nfs/dbraw/zinc/82/34/03/874823403.db2.gz IZLLYXIUZFNOLN-LEWJYISDSA-N 1 3 376.516 3.642 20 0 GHADHO CN(CCNC(=O)C1CC[NH+](CCCc2ccsc2)CC1)Cc1ccccc1 ZINC000542102109 874960451 /nfs/dbraw/zinc/96/04/51/874960451.db2.gz HKSOVUJQLGCDQF-UHFFFAOYSA-N 1 3 399.604 3.641 20 0 GHADHO CC(=O)Nc1ccc(C[NH+]2CCC(NCC3=Cc4ccccc4OC3)CC2)cc1 ZINC000449520866 874993653 /nfs/dbraw/zinc/99/36/53/874993653.db2.gz FNNNCJJODJWTLI-UHFFFAOYSA-N 1 3 391.515 3.675 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000105441992 875297339 /nfs/dbraw/zinc/29/73/39/875297339.db2.gz QYAKQRVKVCTDLD-KRWDZBQOSA-N 1 3 375.944 3.963 20 0 GHADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451327 875596661 /nfs/dbraw/zinc/59/66/61/875596661.db2.gz SVPIVDUSGHZLTO-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO CC(C)(O)[C@H]1CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000450596430 876661538 /nfs/dbraw/zinc/66/15/38/876661538.db2.gz GEXPXDCWFTXDGJ-BGYRXZFFSA-N 1 3 394.987 3.811 20 0 GHADHO CC(C)(O)[C@H]1CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000450596430 876661541 /nfs/dbraw/zinc/66/15/41/876661541.db2.gz GEXPXDCWFTXDGJ-BGYRXZFFSA-N 1 3 394.987 3.811 20 0 GHADHO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(CN2CCC[C@H]2C(C)(C)O)c1 ZINC000450596430 876661547 /nfs/dbraw/zinc/66/15/47/876661547.db2.gz GEXPXDCWFTXDGJ-BGYRXZFFSA-N 1 3 394.987 3.811 20 0 GHADHO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(CN2CCC[C@H]2C(C)(C)O)c1 ZINC000450596430 876661558 /nfs/dbraw/zinc/66/15/58/876661558.db2.gz GEXPXDCWFTXDGJ-BGYRXZFFSA-N 1 3 394.987 3.811 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc(C)c1OC(F)F ZINC000850357284 876848512 /nfs/dbraw/zinc/84/85/12/876848512.db2.gz DODJLIYGIUFQIB-FQEVSTJZSA-N 1 3 390.474 3.761 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc(C)c1OC(F)F ZINC000850357284 876848516 /nfs/dbraw/zinc/84/85/16/876848516.db2.gz DODJLIYGIUFQIB-FQEVSTJZSA-N 1 3 390.474 3.761 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458454 876940457 /nfs/dbraw/zinc/94/04/57/876940457.db2.gz SNOSTCITTRQMTF-WZONZLPQSA-N 1 3 380.532 3.819 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458454 876940467 /nfs/dbraw/zinc/94/04/67/876940467.db2.gz SNOSTCITTRQMTF-WZONZLPQSA-N 1 3 380.532 3.819 20 0 GHADHO C[C@H](NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccc(=O)[nH]n1 ZINC000285463313 912299127 /nfs/dbraw/zinc/29/91/27/912299127.db2.gz AJLBVVZIISGQTF-SFHVURJKSA-N 1 3 388.515 3.884 20 0 GHADHO COC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)[C@H]1CCCO1 ZINC000788620224 878215805 /nfs/dbraw/zinc/21/58/05/878215805.db2.gz VQXGIPWQLVMSMZ-RBDMOPTHSA-N 1 3 376.541 3.526 20 0 GHADHO COc1ccc(COCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000245661995 878314791 /nfs/dbraw/zinc/31/47/91/878314791.db2.gz FVHYHFGUMSTOMP-WBDAEOGXSA-N 1 3 380.532 3.997 20 0 GHADHO COc1ccc(COCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245661995 878314800 /nfs/dbraw/zinc/31/48/00/878314800.db2.gz FVHYHFGUMSTOMP-WBDAEOGXSA-N 1 3 380.532 3.997 20 0 GHADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000616014231 878423471 /nfs/dbraw/zinc/42/34/71/878423471.db2.gz VNLCREHIVOTBRZ-UHFFFAOYSA-N 1 3 392.563 3.554 20 0 GHADHO C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000537969723 878641494 /nfs/dbraw/zinc/64/14/94/878641494.db2.gz NMMNGRVKAQYMRT-LJQANCHMSA-N 1 3 397.538 3.762 20 0 GHADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000177343651 878656251 /nfs/dbraw/zinc/65/62/51/878656251.db2.gz NKUIUKNYPFKQSD-UHFFFAOYSA-N 1 3 394.563 3.839 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000530901470 878712348 /nfs/dbraw/zinc/71/23/48/878712348.db2.gz BZFVDFIBQRZXLG-YOEHRIQHSA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000530901470 878712364 /nfs/dbraw/zinc/71/23/64/878712364.db2.gz BZFVDFIBQRZXLG-YOEHRIQHSA-N 1 3 382.346 3.582 20 0 GHADHO CN(C)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000616267797 878733082 /nfs/dbraw/zinc/73/30/82/878733082.db2.gz VIVKUSGKOCEFFD-HXUWFJFHSA-N 1 3 383.511 3.781 20 0 GHADHO CN(C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000616267797 878733100 /nfs/dbraw/zinc/73/31/00/878733100.db2.gz VIVKUSGKOCEFFD-HXUWFJFHSA-N 1 3 383.511 3.781 20 0 GHADHO CC(C)c1ccc(CN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C(C)C)c1 ZINC000643085342 912453660 /nfs/dbraw/zinc/45/36/60/912453660.db2.gz MZKDIIQNLJPXPH-DHIUTWEWSA-N 1 3 398.595 3.654 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000246351703 879445702 /nfs/dbraw/zinc/44/57/02/879445702.db2.gz HSNZFJTXIXMWQD-DNVJHFABSA-N 1 3 384.564 3.747 20 0 GHADHO CC1(C)CN(C[C@H]2CN(C3CC3)C(=O)O2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045491 879472208 /nfs/dbraw/zinc/47/22/08/879472208.db2.gz ZHIRSAQXWFAUIF-VXKWHMMOSA-N 1 3 397.563 3.592 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000246543023 879665770 /nfs/dbraw/zinc/66/57/70/879665770.db2.gz WSBVZZKEPOWAJL-YTQUADARSA-N 1 3 380.602 3.503 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000246543023 879665775 /nfs/dbraw/zinc/66/57/75/879665775.db2.gz WSBVZZKEPOWAJL-YTQUADARSA-N 1 3 380.602 3.503 20 0 GHADHO C[C@H]1[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CCN1Cc1ccccc1 ZINC000494027653 879838711 /nfs/dbraw/zinc/83/87/11/879838711.db2.gz NNIVYYUZQVFALT-WMZHIEFXSA-N 1 3 377.532 3.675 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000247042224 879897057 /nfs/dbraw/zinc/89/70/57/879897057.db2.gz MUCQXJHVVNSYNM-KBXCAEBGSA-N 1 3 387.337 3.815 20 0 GHADHO CCOC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000790749342 879980243 /nfs/dbraw/zinc/98/02/43/879980243.db2.gz ZAHFLPLFLXPKCM-TTWXDQCFSA-N 1 3 399.579 3.934 20 0 GHADHO Cn1c(CN2CCC(CCC[NH+]3CCOCC3)CC2)nc2cc(Cl)ccc21 ZINC000182977414 880046895 /nfs/dbraw/zinc/04/68/95/880046895.db2.gz BICAHEKEQQAYAO-UHFFFAOYSA-N 1 3 390.959 3.551 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000531683031 880314960 /nfs/dbraw/zinc/31/49/60/880314960.db2.gz QBTTTYVPQQUNAV-VWLOTQADSA-N 1 3 393.575 4.000 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531705585 880333397 /nfs/dbraw/zinc/33/33/97/880333397.db2.gz PGGYYVUATCEGOJ-AZUAARDMSA-N 1 3 377.532 3.787 20 0 GHADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3c(Cl)cccc3Cl)CC2)C1=O ZINC001275207251 912619206 /nfs/dbraw/zinc/61/92/06/912619206.db2.gz PSTPPIAKUBSHRK-FQEVSTJZSA-N 1 3 398.378 3.760 20 0 GHADHO CCCCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OCC ZINC000532015855 880926142 /nfs/dbraw/zinc/92/61/42/880926142.db2.gz APHFHKREFVCHFS-RTWAWAEBSA-N 1 3 390.568 3.732 20 0 GHADHO CCC(CC)(CNC(=O)OC(C)(C)C)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001183533373 912640847 /nfs/dbraw/zinc/64/08/47/912640847.db2.gz KMCUIPGARUNKLX-GOSISDBHSA-N 1 3 390.572 3.923 20 0 GHADHO C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184095107 883317281 /nfs/dbraw/zinc/31/72/81/883317281.db2.gz ZIHQIGOMFYWVKN-MBSDFSHPSA-N 1 3 398.595 3.558 20 0 GHADHO Cc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)ccc1Cl ZINC001211910508 883328248 /nfs/dbraw/zinc/32/82/48/883328248.db2.gz FIVQXIPHAANLTL-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)ccc1Cl ZINC001211910508 883328266 /nfs/dbraw/zinc/32/82/66/883328266.db2.gz FIVQXIPHAANLTL-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001168157999 883410538 /nfs/dbraw/zinc/41/05/38/883410538.db2.gz BNBBWWQGBPFEAR-KAGYGMCKSA-N 1 3 389.559 3.617 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000477012494 883553670 /nfs/dbraw/zinc/55/36/70/883553670.db2.gz SJJLTSZODHNPSW-RXVVDRJESA-N 1 3 398.551 3.804 20 0 GHADHO CC1CC[NH+](C[C@H]2CCCN(CCC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000859106312 883591785 /nfs/dbraw/zinc/59/17/85/883591785.db2.gz JZQBTSRAQQLCSP-IBGZPJMESA-N 1 3 379.589 3.687 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000508880081 884083400 /nfs/dbraw/zinc/08/34/00/884083400.db2.gz KSTVIASZCKMNHG-SIKLNZKXSA-N 1 3 388.600 3.831 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000508880081 884083407 /nfs/dbraw/zinc/08/34/07/884083407.db2.gz KSTVIASZCKMNHG-SIKLNZKXSA-N 1 3 388.600 3.831 20 0 GHADHO Clc1ccc2c(n1)CC[C@H]2[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000806132199 884351775 /nfs/dbraw/zinc/35/17/75/884351775.db2.gz UADUTAMPXLEUHO-OAQYLSRUSA-N 1 3 398.982 3.910 20 0 GHADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000498608731 885043687 /nfs/dbraw/zinc/04/36/87/885043687.db2.gz ZNJBADZVNGOCIX-WMZHIEFXSA-N 1 3 398.595 3.746 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000795863068 912899800 /nfs/dbraw/zinc/89/98/00/912899800.db2.gz ACPSRMGFRLCZHE-NRFANRHFSA-N 1 3 391.987 3.887 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C[C@@H](C)O1 ZINC000623424923 885380500 /nfs/dbraw/zinc/38/05/00/885380500.db2.gz KRERXNUVSNZIIE-HUUCEWRRSA-N 1 3 392.437 3.746 20 0 GHADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000302980897 885409859 /nfs/dbraw/zinc/40/98/59/885409859.db2.gz JOYGFFMJTVTPQZ-FCGDIQPGSA-N 1 3 392.613 3.551 20 0 GHADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000302980897 885409868 /nfs/dbraw/zinc/40/98/68/885409868.db2.gz JOYGFFMJTVTPQZ-FCGDIQPGSA-N 1 3 392.613 3.551 20 0 GHADHO CC(C)C[NH+]1CCC(N[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000131154036 885600708 /nfs/dbraw/zinc/60/07/08/885600708.db2.gz OYMYKJWRTIKUFU-KRWDZBQOSA-N 1 3 379.976 3.787 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000108706254 885826464 /nfs/dbraw/zinc/82/64/64/885826464.db2.gz NBFUQXFKODWLRC-RPWUZVMVSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000108706254 885826480 /nfs/dbraw/zinc/82/64/80/885826480.db2.gz NBFUQXFKODWLRC-RPWUZVMVSA-N 1 3 391.559 3.852 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000125336415 886856687 /nfs/dbraw/zinc/85/66/87/886856687.db2.gz MJSXGZRBLXGEFH-UHFFFAOYSA-N 1 3 398.378 3.601 20 0 GHADHO CCN1CCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000236836512 886888603 /nfs/dbraw/zinc/88/86/03/886888603.db2.gz MSZPZPSAVRQCJA-NRFANRHFSA-N 1 3 389.547 3.815 20 0 GHADHO CN(C)Cc1cccc(NC(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c1 ZINC000126489192 886973348 /nfs/dbraw/zinc/97/33/48/886973348.db2.gz DBGARHYKIGXFMN-UHFFFAOYSA-N 1 3 395.551 3.923 20 0 GHADHO C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915493047 887097286 /nfs/dbraw/zinc/09/72/86/887097286.db2.gz NFOBLRSLVAVUBU-WMZHIEFXSA-N 1 3 398.595 3.523 20 0 GHADHO CN1CCC2(CCC[N@@H+]2CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000809647785 887654683 /nfs/dbraw/zinc/65/46/83/887654683.db2.gz GNBNBNSWNPXTIY-UHFFFAOYSA-N 1 3 385.552 3.595 20 0 GHADHO CN1CCC2(CCC[N@H+]2CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000809647785 887654692 /nfs/dbraw/zinc/65/46/92/887654692.db2.gz GNBNBNSWNPXTIY-UHFFFAOYSA-N 1 3 385.552 3.595 20 0 GHADHO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777831 887782406 /nfs/dbraw/zinc/78/24/06/887782406.db2.gz MWYYOVAOFUHQJT-INIZCTEOSA-N 1 3 392.975 3.601 20 0 GHADHO C[N@@H+]1C[C@@]23CN(C[C@]4(C)CCCN(C(=O)OC(C)(C)C)C4)C[C@]2(C1)CCCC3 ZINC001184399622 913180863 /nfs/dbraw/zinc/18/08/63/913180863.db2.gz ZELKPZUHLVWTOA-RJGXRXQPSA-N 1 3 391.600 3.831 20 0 GHADHO C[N@H+]1C[C@@]23CN(C[C@]4(C)CCCN(C(=O)OC(C)(C)C)C4)C[C@]2(C1)CCCC3 ZINC001184399622 913180870 /nfs/dbraw/zinc/18/08/70/913180870.db2.gz ZELKPZUHLVWTOA-RJGXRXQPSA-N 1 3 391.600 3.831 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403195 913186588 /nfs/dbraw/zinc/18/65/88/913186588.db2.gz AHGXRDZQWMOUTM-AZUAARDMSA-N 1 3 391.987 3.933 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403195 913186593 /nfs/dbraw/zinc/18/65/93/913186593.db2.gz AHGXRDZQWMOUTM-AZUAARDMSA-N 1 3 391.987 3.933 20 0 GHADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404344 913191447 /nfs/dbraw/zinc/19/14/47/913191447.db2.gz GODPDJLVQPXRGY-QFUCXCTJSA-N 1 3 391.987 3.787 20 0 GHADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404344 913191451 /nfs/dbraw/zinc/19/14/51/913191451.db2.gz GODPDJLVQPXRGY-QFUCXCTJSA-N 1 3 391.987 3.787 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810413194 888478689 /nfs/dbraw/zinc/47/86/89/888478689.db2.gz QXFSNTWZMJPBTP-HTAPYJJXSA-N 1 3 375.532 3.541 20 0 GHADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)N(C)C ZINC000123306964 888599393 /nfs/dbraw/zinc/59/93/93/888599393.db2.gz PMUQEWXOWJNCTC-IBGZPJMESA-N 1 3 399.501 3.714 20 0 GHADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)N(C)C ZINC000123306964 888599408 /nfs/dbraw/zinc/59/94/08/888599408.db2.gz PMUQEWXOWJNCTC-IBGZPJMESA-N 1 3 399.501 3.714 20 0 GHADHO Cc1ccc(OC[C@@H](O)CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530886 913344935 /nfs/dbraw/zinc/34/49/35/913344935.db2.gz RRBGGXSTNCRGNZ-GOTSBHOMSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(OC[C@@H](O)CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530886 913344950 /nfs/dbraw/zinc/34/49/50/913344950.db2.gz RRBGGXSTNCRGNZ-GOTSBHOMSA-N 1 3 382.548 3.545 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)c(C(F)F)c3)CC2)CC1 ZINC000871274396 890721462 /nfs/dbraw/zinc/72/14/62/890721462.db2.gz VGNGRWIRLWPSGN-UHFFFAOYSA-N 1 3 383.458 3.898 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249086988 891493715 /nfs/dbraw/zinc/49/37/15/891493715.db2.gz UCEBRUNTANDEPV-LEWJYISDSA-N 1 3 393.641 3.832 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249086988 891493721 /nfs/dbraw/zinc/49/37/21/891493721.db2.gz UCEBRUNTANDEPV-LEWJYISDSA-N 1 3 393.641 3.832 20 0 GHADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(N2CCOCC2)c1 ZINC000508716903 892842142 /nfs/dbraw/zinc/84/21/42/892842142.db2.gz GVNRBEVWGNEDSC-URXFXBBRSA-N 1 3 393.575 3.832 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@H](C)C1 ZINC000162627994 892894682 /nfs/dbraw/zinc/89/46/82/892894682.db2.gz RPVYMTBYHWVQHP-NQIIRXRSSA-N 1 3 375.557 3.630 20 0 GHADHO CN1CCN(c2ccc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)cc2)CC1 ZINC001170752981 892912355 /nfs/dbraw/zinc/91/23/55/892912355.db2.gz WLEFPWQQTUBVCQ-QHCPKHFHSA-N 1 3 378.564 3.557 20 0 GHADHO CCC(CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508721170 892971510 /nfs/dbraw/zinc/97/15/10/892971510.db2.gz UCDMQYUWGZVXFQ-HUVFLSCGSA-N 1 3 387.612 3.624 20 0 GHADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000562980101 893241683 /nfs/dbraw/zinc/24/16/83/893241683.db2.gz NFYNZHOANDWNKX-HXUWFJFHSA-N 1 3 389.421 3.683 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000533892470 893382227 /nfs/dbraw/zinc/38/22/27/893382227.db2.gz PFTGKIZCKNNCAL-PKTZIBPZSA-N 1 3 394.563 3.771 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000533892470 893382246 /nfs/dbraw/zinc/38/22/46/893382246.db2.gz PFTGKIZCKNNCAL-PKTZIBPZSA-N 1 3 394.563 3.771 20 0 GHADHO Fc1ccc(CC[NH+]2CCC(NCc3cccc(Cn4cccn4)c3)CC2)cc1 ZINC000129426485 893391780 /nfs/dbraw/zinc/39/17/80/893391780.db2.gz BLOYXDZYSSJHKA-UHFFFAOYSA-N 1 3 392.522 3.867 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000536666361 893481867 /nfs/dbraw/zinc/48/18/67/893481867.db2.gz IVMFMVTWJNZZAP-JXFKEZNVSA-N 1 3 389.490 3.683 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000536666361 893481875 /nfs/dbraw/zinc/48/18/75/893481875.db2.gz IVMFMVTWJNZZAP-JXFKEZNVSA-N 1 3 389.490 3.683 20 0 GHADHO COC(=O)c1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1Br ZINC000877143792 893507010 /nfs/dbraw/zinc/50/70/10/893507010.db2.gz BYRWBDVZTLCHQI-UHFFFAOYSA-N 1 3 391.309 3.587 20 0 GHADHO Cc1ncc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439154 893725896 /nfs/dbraw/zinc/72/58/96/893725896.db2.gz FTOPRXHEOGXKPF-VQIMIIECSA-N 1 3 380.458 3.920 20 0 GHADHO Cc1ncc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439154 893725904 /nfs/dbraw/zinc/72/59/04/893725904.db2.gz FTOPRXHEOGXKPF-VQIMIIECSA-N 1 3 380.458 3.920 20 0 GHADHO C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459530370 893741214 /nfs/dbraw/zinc/74/12/14/893741214.db2.gz PKYLIHUZHPXTHL-UNMCSNQZSA-N 1 3 379.548 3.523 20 0 GHADHO CC(C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537016631 894195954 /nfs/dbraw/zinc/19/59/54/894195954.db2.gz QYZMMNIZRWMVJN-QINHECLXSA-N 1 3 375.513 3.710 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)[C@H](O)Cc1ccccc1 ZINC000537192619 894516523 /nfs/dbraw/zinc/51/65/23/894516523.db2.gz PMEBQLRKYGSJSX-VLCRHTCISA-N 1 3 380.532 3.556 20 0 GHADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000564060226 894534862 /nfs/dbraw/zinc/53/48/62/894534862.db2.gz KPMWCTNLPBXZQG-ZLNRFVROSA-N 1 3 386.580 3.708 20 0 GHADHO CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@@H]1c1ccccc1 ZINC000455850938 894679293 /nfs/dbraw/zinc/67/92/93/894679293.db2.gz KWKJWYMPILQSSG-VSKRKVRLSA-N 1 3 378.520 3.802 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293174 894716267 /nfs/dbraw/zinc/71/62/67/894716267.db2.gz XPRMVPSKVKLOPI-AEFFLSMTSA-N 1 3 379.504 3.824 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293175 894716558 /nfs/dbraw/zinc/71/65/58/894716558.db2.gz XPRMVPSKVKLOPI-FUHWJXTLSA-N 1 3 379.504 3.824 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1c1ccccc1 ZINC000645454298 913907866 /nfs/dbraw/zinc/90/78/66/913907866.db2.gz YUJHNLPTCSFCML-ISJGIBHGSA-N 1 3 393.575 3.703 20 0 GHADHO CC(C)CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)CC1CC[NH+](C)CC1 ZINC000879702940 895242340 /nfs/dbraw/zinc/24/23/40/895242340.db2.gz AGMQTZCLXJMFQJ-UHFFFAOYSA-N 1 3 376.932 3.789 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)CC2)CC1 ZINC000565193259 895451980 /nfs/dbraw/zinc/45/19/80/895451980.db2.gz XLCRKGHHEVHECJ-GGAORHGYSA-N 1 3 397.607 3.710 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000565198500 895456359 /nfs/dbraw/zinc/45/63/59/895456359.db2.gz GVNWPFRODJYYJT-QFIPXVFZSA-N 1 3 387.543 3.516 20 0 GHADHO Cc1nccnc1[C@@H](C)NCc1cccc(C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000880107324 895518801 /nfs/dbraw/zinc/51/88/01/895518801.db2.gz AMDZNOPIVFCROT-HDICACEKSA-N 1 3 376.508 3.585 20 0 GHADHO Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(CN[C@@H](C)c2nccnc2C)c1 ZINC000880107324 895518813 /nfs/dbraw/zinc/51/88/13/895518813.db2.gz AMDZNOPIVFCROT-HDICACEKSA-N 1 3 376.508 3.585 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000565491692 895672822 /nfs/dbraw/zinc/67/28/22/895672822.db2.gz MRUUFRZHUTVWNU-LEWJYISDSA-N 1 3 377.617 3.856 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](c4ccc(C)cc4)C[C@H]3C)CC2)CC1 ZINC000565548548 895715410 /nfs/dbraw/zinc/71/54/10/895715410.db2.gz JBDXIUHWNUMGIR-OFNKIYASSA-N 1 3 397.607 3.896 20 0 GHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(F)c(I)c1 ZINC000817949754 895973273 /nfs/dbraw/zinc/97/32/73/895973273.db2.gz UVURQLIAOODMBB-GFCCVEGCSA-N 1 3 398.263 3.782 20 0 GHADHO C[C@@](O)(CNC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1Cl ZINC000818945649 896287249 /nfs/dbraw/zinc/28/72/49/896287249.db2.gz NEACTYLAUPCQAU-QGZVFWFLSA-N 1 3 387.749 3.526 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000818959480 896297611 /nfs/dbraw/zinc/29/76/11/896297611.db2.gz LKHFXRWKGCLNIN-MBSDFSHPSA-N 1 3 398.547 3.759 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000818959480 896297622 /nfs/dbraw/zinc/29/76/22/896297622.db2.gz LKHFXRWKGCLNIN-MBSDFSHPSA-N 1 3 398.547 3.759 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274874 896561291 /nfs/dbraw/zinc/56/12/91/896561291.db2.gz NHKVMTRYLVEHQT-XLIONFOSSA-N 1 3 389.337 3.594 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274874 896561299 /nfs/dbraw/zinc/56/12/99/896561299.db2.gz NHKVMTRYLVEHQT-XLIONFOSSA-N 1 3 389.337 3.594 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)C[C@@H](O)c2cccs2)CC1 ZINC000131272465 897390291 /nfs/dbraw/zinc/39/02/91/897390291.db2.gz GBPYKKSDVDOZAK-WIYYLYMNSA-N 1 3 387.593 3.882 20 0 GHADHO C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000568200833 897669628 /nfs/dbraw/zinc/66/96/28/897669628.db2.gz ARTKOTIWFVGOKU-HXUWFJFHSA-N 1 3 379.548 3.527 20 0 GHADHO C[C@]1(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)OCCc2sccc21 ZINC000568687865 898035894 /nfs/dbraw/zinc/03/58/94/898035894.db2.gz SSZCERDQWLMYAP-JOCHJYFZSA-N 1 3 388.552 3.972 20 0 GHADHO C[C@@H]1C[C@@H](CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476912 899049762 /nfs/dbraw/zinc/04/97/62/899049762.db2.gz CZDSRPRZOHAFMF-HOJAQTOUSA-N 1 3 379.589 3.686 20 0 GHADHO C[C@@H]1C[C@@H](CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476912 899049773 /nfs/dbraw/zinc/04/97/73/899049773.db2.gz CZDSRPRZOHAFMF-HOJAQTOUSA-N 1 3 379.589 3.686 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cn1 ZINC000570303616 899251425 /nfs/dbraw/zinc/25/14/25/899251425.db2.gz KEFWYJIHTLHYEU-GMAHTHKFSA-N 1 3 380.536 3.568 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584960 899726199 /nfs/dbraw/zinc/72/61/99/899726199.db2.gz KLBRGOBITCQEBJ-HBFSDRIKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584960 899726208 /nfs/dbraw/zinc/72/62/08/899726208.db2.gz KLBRGOBITCQEBJ-HBFSDRIKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584960 899726214 /nfs/dbraw/zinc/72/62/14/899726214.db2.gz KLBRGOBITCQEBJ-HBFSDRIKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584960 899726226 /nfs/dbraw/zinc/72/62/26/899726226.db2.gz KLBRGOBITCQEBJ-HBFSDRIKSA-N 1 3 390.535 3.818 20 0 GHADHO COc1cc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2n1 ZINC000571431577 899863525 /nfs/dbraw/zinc/86/35/25/899863525.db2.gz UFUIJYSLOVAEND-NFBKMPQASA-N 1 3 375.472 3.589 20 0 GHADHO O=C(c1ccco1)N1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886500534 901084465 /nfs/dbraw/zinc/08/44/65/901084465.db2.gz ZSDQPRQTGUNYTO-BVSLBCMMSA-N 1 3 393.531 3.527 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000575248962 901181257 /nfs/dbraw/zinc/18/12/57/901181257.db2.gz ZDAMOQNZZLZYNK-LAUBAEHRSA-N 1 3 388.939 3.895 20 0 GHADHO CCC[C@@H]1CCCC[C@H]1CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000576001913 901576696 /nfs/dbraw/zinc/57/66/96/901576696.db2.gz MGLMSHOUHCAWQW-CTNGQTDRSA-N 1 3 377.617 3.905 20 0 GHADHO C[C@@H](CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000576651426 902160943 /nfs/dbraw/zinc/16/09/43/902160943.db2.gz KYQIQWQKCBJFGP-QFBILLFUSA-N 1 3 380.964 3.506 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CC(C)(C)CC(C)(C)C3)CC2)CC1 ZINC000576714419 902212787 /nfs/dbraw/zinc/21/27/87/902212787.db2.gz CLLOJXGFBJMVJQ-UHFFFAOYSA-N 1 3 377.617 3.904 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000600900055 903071158 /nfs/dbraw/zinc/07/11/58/903071158.db2.gz PVLVDIYOUCYDLX-JOCHJYFZSA-N 1 3 386.584 3.779 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646575704 914686747 /nfs/dbraw/zinc/68/67/47/914686747.db2.gz ZETKPHCOMGZVGM-NHCUHLMSSA-N 1 3 397.588 3.881 20 0 GHADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000601213856 903469686 /nfs/dbraw/zinc/46/96/86/903469686.db2.gz RLFJEGIBGVQHEL-MOPGFXCFSA-N 1 3 392.613 3.693 20 0 GHADHO CC(C)[NH+]1CCC(C(=O)NCCNC(c2ccccc2)c2ccccc2)CC1 ZINC000779045908 903480671 /nfs/dbraw/zinc/48/06/71/903480671.db2.gz RFJXDVKVDUBZKB-UHFFFAOYSA-N 1 3 379.548 3.602 20 0 GHADHO Cc1ccc(C)c([C@@H]2CCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000134732506 903562878 /nfs/dbraw/zinc/56/28/78/903562878.db2.gz WNWNLVHECPXYMO-QHCPKHFHSA-N 1 3 398.595 3.709 20 0 GHADHO CCOc1cc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)ccc1OC ZINC000150908478 904040611 /nfs/dbraw/zinc/04/06/11/904040611.db2.gz OOLBFFNLRBFIRE-UHFFFAOYSA-N 1 3 397.563 3.914 20 0 GHADHO CSc1ccc(OC[C@H](O)CNCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000578979681 904275158 /nfs/dbraw/zinc/27/51/58/904275158.db2.gz JHRHOEWLMPEIHZ-HXUWFJFHSA-N 1 3 386.561 3.534 20 0 GHADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000578985364 904277166 /nfs/dbraw/zinc/27/71/66/904277166.db2.gz UEICZSWOOZLTLX-FUHWJXTLSA-N 1 3 399.501 3.621 20 0 GHADHO Cc1cc2ncn(C[C@H](O)CNC3CC[NH+](CC4CCCCC4)CC3)c2cc1C ZINC000773006241 904361131 /nfs/dbraw/zinc/36/11/31/904361131.db2.gz CUVIQRIVMNBKOD-JOCHJYFZSA-N 1 3 398.595 3.648 20 0 GHADHO CC1(C)C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CCN1Cc1ccccc1 ZINC001171965924 905174027 /nfs/dbraw/zinc/17/40/27/905174027.db2.gz KCPLSWOJXPSXRM-FQEVSTJZSA-N 1 3 386.561 3.623 20 0 GHADHO COc1ccc(C[C@@H](CO)N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977375 905222458 /nfs/dbraw/zinc/22/24/58/905222458.db2.gz AYGQCCMKZZMFMS-YADHBBJMSA-N 1 3 382.548 3.631 20 0 GHADHO COc1ccc(C[C@@H](CO)N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977375 905222464 /nfs/dbraw/zinc/22/24/64/905222464.db2.gz AYGQCCMKZZMFMS-YADHBBJMSA-N 1 3 382.548 3.631 20 0 GHADHO CC1(C)C[C@H](N[C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979064 905227874 /nfs/dbraw/zinc/22/78/74/905227874.db2.gz KZBUMVVGUNAJDM-DHIUTWEWSA-N 1 3 391.559 3.934 20 0 GHADHO CC1(C)C[C@H](N[C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979064 905227889 /nfs/dbraw/zinc/22/78/89/905227889.db2.gz KZBUMVVGUNAJDM-DHIUTWEWSA-N 1 3 391.559 3.934 20 0 GHADHO CCN1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1=O ZINC001172029457 905264727 /nfs/dbraw/zinc/26/47/27/905264727.db2.gz BKSLMRDZWQADAC-HJOGWXRNSA-N 1 3 391.559 3.645 20 0 GHADHO CCN1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1=O ZINC001172029457 905264738 /nfs/dbraw/zinc/26/47/38/905264738.db2.gz BKSLMRDZWQADAC-HJOGWXRNSA-N 1 3 391.559 3.645 20 0 GHADHO COc1cccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172063281 905326099 /nfs/dbraw/zinc/32/60/99/905326099.db2.gz BPLIBSXPBYNSPH-JTOYRKQZSA-N 1 3 380.532 3.904 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110467 905356571 /nfs/dbraw/zinc/35/65/71/905356571.db2.gz NJVRAMSHCCUCRT-YUMYIRISSA-N 1 3 399.579 3.953 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110467 905356588 /nfs/dbraw/zinc/35/65/88/905356588.db2.gz NJVRAMSHCCUCRT-YUMYIRISSA-N 1 3 399.579 3.953 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3nnc(-c4ccc(F)cc4)n3c1)C2 ZINC001172111021 905358495 /nfs/dbraw/zinc/35/84/95/905358495.db2.gz OHXRTHXXCDJNLW-OWZKRDHZSA-N 1 3 379.483 3.640 20 0 GHADHO CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001172342425 905505454 /nfs/dbraw/zinc/50/54/54/905505454.db2.gz YXBLLHTXJSWKEQ-NHCUHLMSSA-N 1 3 389.584 3.590 20 0 GHADHO CN(C1CC1)C1CC[NH+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172535476 905639697 /nfs/dbraw/zinc/63/96/97/905639697.db2.gz KATPWIUEFAZOQD-HFMPRLQTSA-N 1 3 395.591 3.876 20 0 GHADHO C[C@@H](Cc1c(F)cccc1Cl)NC1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001172843323 905899249 /nfs/dbraw/zinc/89/92/49/905899249.db2.gz VWDPSIQTXLNYGU-AWEZNQCLSA-N 1 3 399.938 3.728 20 0 GHADHO N[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@@H]1F ZINC001206200136 906468715 /nfs/dbraw/zinc/46/87/15/906468715.db2.gz QLWCKVLWPWBQTA-IRXDYDNUSA-N 1 3 383.389 3.908 20 0 GHADHO N[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@@H]1F ZINC001206200136 906468718 /nfs/dbraw/zinc/46/87/18/906468718.db2.gz QLWCKVLWPWBQTA-IRXDYDNUSA-N 1 3 383.389 3.908 20 0 GHADHO Fc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1C(F)(F)F ZINC000629532944 906858864 /nfs/dbraw/zinc/85/88/64/906858864.db2.gz ZPYHBZZCZNEBJB-OKILXGFUSA-N 1 3 383.389 3.931 20 0 GHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC000180999354 906893209 /nfs/dbraw/zinc/89/32/09/906893209.db2.gz IDZHCKXMWYKSLG-OAHLLOKOSA-N 1 3 393.453 3.848 20 0 GHADHO CC(C)(C)OC(=O)NCCCCCCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC001175070784 907366018 /nfs/dbraw/zinc/36/60/18/907366018.db2.gz XYYASTWQIOBNFL-UHFFFAOYSA-N 1 3 397.604 3.648 20 0 GHADHO CC(C)(C)OC(=O)NCCCCCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC001175070784 907366033 /nfs/dbraw/zinc/36/60/33/907366033.db2.gz XYYASTWQIOBNFL-UHFFFAOYSA-N 1 3 397.604 3.648 20 0 GHADHO CC(C)C[NH+]1CCC(C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001175267168 907478063 /nfs/dbraw/zinc/47/80/63/907478063.db2.gz VZDTUGAIGJAZFK-HSZRJFAPSA-N 1 3 385.596 3.868 20 0 GHADHO CN1c2ccc(CNCc3ccc(C[NH+]4CCCCC4)cc3)cc2CCC1=O ZINC000187104498 908037308 /nfs/dbraw/zinc/03/73/08/908037308.db2.gz QWQZSCSOCUQYRZ-UHFFFAOYSA-N 1 3 377.532 3.871 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H]1CCc2cccc3cccc1c32)c1ccccc1 ZINC001176336758 908039989 /nfs/dbraw/zinc/03/99/89/908039989.db2.gz UWQZICAHMDNNJR-GOTSBHOMSA-N 1 3 387.527 3.836 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CC[C@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002912 908357901 /nfs/dbraw/zinc/35/79/01/908357901.db2.gz PBDDXVGZISVHMQ-UPVQGACJSA-N 1 3 378.516 3.541 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](CN1CC[C@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002912 908357913 /nfs/dbraw/zinc/35/79/13/908357913.db2.gz PBDDXVGZISVHMQ-UPVQGACJSA-N 1 3 378.516 3.541 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CC[C@@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002911 908358195 /nfs/dbraw/zinc/35/81/95/908358195.db2.gz PBDDXVGZISVHMQ-LADGPHEKSA-N 1 3 378.516 3.541 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](CN1CC[C@@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002911 908358207 /nfs/dbraw/zinc/35/82/07/908358207.db2.gz PBDDXVGZISVHMQ-LADGPHEKSA-N 1 3 378.516 3.541 20 0 GHADHO CCn1c2ccccc2nc1[C@@H]1CCCN1CCCN1CC[NH+](C(C)C)CC1 ZINC000191542441 908640851 /nfs/dbraw/zinc/64/08/51/908640851.db2.gz IDHLDEMHCYKMTQ-QFIPXVFZSA-N 1 3 383.584 3.609 20 0 GHADHO Cc1cc(Br)cn2c(C[NH2+]CC3(CN(C)C)CCCC3)cnc12 ZINC001178449933 909043937 /nfs/dbraw/zinc/04/39/37/909043937.db2.gz ZQOLVVPQWXEIGH-UHFFFAOYSA-N 1 3 379.346 3.617 20 0 GHADHO Cc1cc(Br)c(CN[C@@H](C)CN(C)CCC[NH+](C)C)cc1Cl ZINC001179129622 909394249 /nfs/dbraw/zinc/39/42/49/909394249.db2.gz VNXYBXAYFXSHDA-AWEZNQCLSA-N 1 3 390.797 3.773 20 0 GHADHO C[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000284421574 911858947 /nfs/dbraw/zinc/85/89/47/911858947.db2.gz RHACTJUDPGBYHG-XGCWNURASA-N 1 3 386.561 3.748 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(NC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000291103331 914978333 /nfs/dbraw/zinc/97/83/33/914978333.db2.gz JOJVEJWKARACRE-PGRDOPGGSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000291103331 914978342 /nfs/dbraw/zinc/97/83/42/914978342.db2.gz JOJVEJWKARACRE-PGRDOPGGSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000648483493 915714971 /nfs/dbraw/zinc/71/49/71/915714971.db2.gz DQIVUECPTHIJIE-WMZHIEFXSA-N 1 3 383.580 3.605 20 0 GHADHO CC[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000293849965 916421832 /nfs/dbraw/zinc/42/18/32/916421832.db2.gz UCIVTXFVSOEFKY-HSZRJFAPSA-N 1 3 396.531 3.671 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1CN1CCCCC1 ZINC000775379422 917308914 /nfs/dbraw/zinc/30/89/14/917308914.db2.gz CXMBVZFBJIWGSD-LPHOPBHVSA-N 1 3 399.501 3.968 20 0 GHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362702418 917376225 /nfs/dbraw/zinc/37/62/25/917376225.db2.gz MTLRCKSTYIYRJG-GJYPPUQNSA-N 1 3 385.474 3.604 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445333 917379396 /nfs/dbraw/zinc/37/93/96/917379396.db2.gz TVZJHLHNKDTNSO-QPPBQGQZSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445333 917379402 /nfs/dbraw/zinc/37/94/02/917379402.db2.gz TVZJHLHNKDTNSO-QPPBQGQZSA-N 1 3 399.579 3.841 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)ccc1OC ZINC000775393601 917382350 /nfs/dbraw/zinc/38/23/50/917382350.db2.gz HLGNMIITJNMZJB-FBBABVLZSA-N 1 3 389.584 3.835 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)cc1CN1CCCCC1 ZINC000775393410 917383781 /nfs/dbraw/zinc/38/37/81/917383781.db2.gz LWPVYNGRCPAOGU-IBGZPJMESA-N 1 3 394.559 3.862 20 0 GHADHO C[NH+]1CCC(Nc2ccccc2NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)CC1 ZINC000651234191 917536056 /nfs/dbraw/zinc/53/60/56/917536056.db2.gz PVQLBNFLEIFSPY-JKSUJKDBSA-N 1 3 399.457 3.879 20 0 GHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC001191453530 917984721 /nfs/dbraw/zinc/98/47/21/917984721.db2.gz HCSWFIJBUBPUHL-HXUWFJFHSA-N 1 3 391.556 3.966 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363548162 918398290 /nfs/dbraw/zinc/39/82/90/918398290.db2.gz WTQWAZMZGRLUBO-VNQPRFMTSA-N 1 3 385.430 3.519 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363548162 918398304 /nfs/dbraw/zinc/39/83/04/918398304.db2.gz WTQWAZMZGRLUBO-VNQPRFMTSA-N 1 3 385.430 3.519 20 0 GHADHO COc1cc(C)nc(CN(C)[C@H]2CCC[N@H+](Cc3cc(OC)cc(C)n3)CC2)c1 ZINC000411399227 926365840 /nfs/dbraw/zinc/36/58/40/926365840.db2.gz FKSYGNUWPSFHFM-NRFANRHFSA-N 1 3 398.551 3.597 20 0 GHADHO COc1cc(C)nc(CN(C)[C@H]2CCC[N@@H+](Cc3cc(OC)cc(C)n3)CC2)c1 ZINC000411399227 926365850 /nfs/dbraw/zinc/36/58/50/926365850.db2.gz FKSYGNUWPSFHFM-NRFANRHFSA-N 1 3 398.551 3.597 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)CC1 ZINC000411473133 926436068 /nfs/dbraw/zinc/43/60/68/926436068.db2.gz JGKJLAWUXCJLFM-IBGZPJMESA-N 1 3 385.474 3.593 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411521140 926483512 /nfs/dbraw/zinc/48/35/12/926483512.db2.gz XZDGYXBOYBWNDO-HZPDHXFCSA-N 1 3 393.959 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411521140 926483523 /nfs/dbraw/zinc/48/35/23/926483523.db2.gz XZDGYXBOYBWNDO-HZPDHXFCSA-N 1 3 393.959 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411521138 926483707 /nfs/dbraw/zinc/48/37/07/926483707.db2.gz XZDGYXBOYBWNDO-HOTGVXAUSA-N 1 3 393.959 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411521138 926483712 /nfs/dbraw/zinc/48/37/12/926483712.db2.gz XZDGYXBOYBWNDO-HOTGVXAUSA-N 1 3 393.959 3.920 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](Cc2ccccc2)c2cccs2)CC1 ZINC000411518119 926485712 /nfs/dbraw/zinc/48/57/12/926485712.db2.gz OIJHUXGEKITTGM-FQEVSTJZSA-N 1 3 385.577 3.611 20 0 GHADHO C(N1CCSC2(CCC2)CC1)C1(C[N@@H+]2CCSC3(CCC3)CC2)COC1 ZINC000411863302 926852864 /nfs/dbraw/zinc/85/28/64/926852864.db2.gz BYRDGWIROWBXFN-UHFFFAOYSA-N 1 3 396.666 3.726 20 0 GHADHO C(N1CCSC2(CCC2)CC1)C1(C[N@H+]2CCSC3(CCC3)CC2)COC1 ZINC000411863302 926852876 /nfs/dbraw/zinc/85/28/76/926852876.db2.gz BYRDGWIROWBXFN-UHFFFAOYSA-N 1 3 396.666 3.726 20 0 GHADHO COC1([C@H](C)NCc2cc(C[NH2+][C@@H](C)C3(OC)CCC3)ccc2F)CCC1 ZINC000412017537 927008898 /nfs/dbraw/zinc/00/88/98/927008898.db2.gz AATYKJQGIXOFGH-IRXDYDNUSA-N 1 3 378.532 3.920 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000749587278 927204019 /nfs/dbraw/zinc/20/40/19/927204019.db2.gz HENFLHZGKNIVQR-DSKINZAPSA-N 1 3 387.568 3.585 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000749587278 927204029 /nfs/dbraw/zinc/20/40/29/927204029.db2.gz HENFLHZGKNIVQR-DSKINZAPSA-N 1 3 387.568 3.585 20 0 GHADHO CN1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H]1c1ccccc1 ZINC000412223100 927224635 /nfs/dbraw/zinc/22/46/35/927224635.db2.gz TUOWWZYUFYYLOI-DHIUTWEWSA-N 1 3 377.532 3.848 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)ccc1OC ZINC000374989723 927783016 /nfs/dbraw/zinc/78/30/16/927783016.db2.gz KRIYLBKCQXYNJQ-RBDMOPTHSA-N 1 3 376.541 3.526 20 0 GHADHO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000753547762 929406661 /nfs/dbraw/zinc/40/66/61/929406661.db2.gz VRLSSJIQAQIKAP-JXFKEZNVSA-N 1 3 399.539 3.701 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1C ZINC000753662227 929467897 /nfs/dbraw/zinc/46/78/97/929467897.db2.gz QWHMOXQDDRHRQT-XKCSPQBFSA-N 1 3 382.548 3.846 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C ZINC000753662227 929467922 /nfs/dbraw/zinc/46/79/22/929467922.db2.gz QWHMOXQDDRHRQT-XKCSPQBFSA-N 1 3 382.548 3.846 20 0 GHADHO C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000780880556 930624937 /nfs/dbraw/zinc/62/49/37/930624937.db2.gz XYHLNAAZHRFFTN-QUCCMNQESA-N 1 3 387.568 3.886 20 0 GHADHO CC(C)[NH+](CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C(C)C ZINC000470464239 930637360 /nfs/dbraw/zinc/63/73/60/930637360.db2.gz GUCCRSMVKAMUAW-GOSISDBHSA-N 1 3 380.602 3.693 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)cc2)CC1 ZINC000782761009 931328134 /nfs/dbraw/zinc/32/81/34/931328134.db2.gz XAUYXIKFUBMNTM-RUZDIDTESA-N 1 3 393.575 3.692 20 0 GHADHO CC(C)N1CCC([NH2+]C[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000797021853 932149692 /nfs/dbraw/zinc/14/96/92/932149692.db2.gz KZVRUUQZCODKFQ-OAQYLSRUSA-N 1 3 387.568 3.983 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCOC2CCOCC2)cc1CN1CCCCC1 ZINC000927076092 932402310 /nfs/dbraw/zinc/40/23/10/932402310.db2.gz QKRGCVRXZHCYQS-SFHVURJKSA-N 1 3 376.541 3.527 20 0 GHADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)N[C@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312245 932591450 /nfs/dbraw/zinc/59/14/50/932591450.db2.gz RGTUGTVHSMOBGZ-GOTSBHOMSA-N 1 3 397.588 3.762 20 0 GHADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)N[C@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312245 932591457 /nfs/dbraw/zinc/59/14/57/932591457.db2.gz RGTUGTVHSMOBGZ-GOTSBHOMSA-N 1 3 397.588 3.762 20 0 GHADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)N[C@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312256 932592145 /nfs/dbraw/zinc/59/21/45/932592145.db2.gz RGTUGTVHSMOBGZ-XZOQPEGZSA-N 1 3 397.588 3.762 20 0 GHADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)N[C@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312256 932592151 /nfs/dbraw/zinc/59/21/51/932592151.db2.gz RGTUGTVHSMOBGZ-XZOQPEGZSA-N 1 3 397.588 3.762 20 0 GHADHO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000559894649 932927523 /nfs/dbraw/zinc/92/75/23/932927523.db2.gz SSYBIIJRXJSHLV-IFMALSPDSA-N 1 3 379.548 3.969 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cccc(OC)n4)CC3)CC2)c1 ZINC001137529925 935564443 /nfs/dbraw/zinc/56/44/43/935564443.db2.gz TYEXOTLEDPKPKQ-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001220704156 1032074333 /nfs/dbraw/zinc/07/43/33/1032074333.db2.gz IKRXXZYCBJGUPL-UNMCSNQZSA-N 1 3 386.584 3.523 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001220704156 1032074348 /nfs/dbraw/zinc/07/43/48/1032074348.db2.gz IKRXXZYCBJGUPL-UNMCSNQZSA-N 1 3 386.584 3.523 20 0 GHADHO Cc1nc2ccc(Br)cc2c(N2CCC[N@@H+]([C@@H](C)CO)CC2)c1C ZINC000468747248 1015989871 /nfs/dbraw/zinc/98/98/71/1015989871.db2.gz VAVINBWDDOGPHW-ZDUSSCGKSA-N 1 3 392.341 3.507 20 0 GHADHO Cc1nc2ccc(Br)cc2c(N2CCC[N@H+]([C@@H](C)CO)CC2)c1C ZINC000468747248 1015989875 /nfs/dbraw/zinc/98/98/75/1015989875.db2.gz VAVINBWDDOGPHW-ZDUSSCGKSA-N 1 3 392.341 3.507 20 0 GHADHO N[C@H](CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001220916885 1032187978 /nfs/dbraw/zinc/18/79/78/1032187978.db2.gz DXOUBIPQOLTOOP-RBUKOAKNSA-N 1 3 397.485 3.866 20 0 GHADHO N[C@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001220916885 1032188002 /nfs/dbraw/zinc/18/80/02/1032188002.db2.gz DXOUBIPQOLTOOP-RBUKOAKNSA-N 1 3 397.485 3.866 20 0 GHADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001221071151 1032266668 /nfs/dbraw/zinc/26/66/68/1032266668.db2.gz KHPIGPDYFDWFIQ-RBUKOAKNSA-N 1 3 392.613 3.645 20 0 GHADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001221071151 1032266678 /nfs/dbraw/zinc/26/66/78/1032266678.db2.gz KHPIGPDYFDWFIQ-RBUKOAKNSA-N 1 3 392.613 3.645 20 0 GHADHO CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001227447852 1032424210 /nfs/dbraw/zinc/42/42/10/1032424210.db2.gz WIPNAQIAXPRQSN-LEWJYISDSA-N 1 3 388.600 3.659 20 0 GHADHO CC(C)(C)OC(=O)c1ccc(CNc2cccc(N3CCC([NH3+])CC3)n2)cc1 ZINC001155296326 1032489617 /nfs/dbraw/zinc/48/96/17/1032489617.db2.gz PQSSIIUDIJFKEW-UHFFFAOYSA-N 1 3 382.508 3.577 20 0 GHADHO CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CCOCC1 ZINC000925837581 1017158279 /nfs/dbraw/zinc/15/82/79/1017158279.db2.gz QYPHFTSGFAVKNA-ZEQRLZLVSA-N 1 3 393.575 3.751 20 0 GHADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1SC(C)(C)C ZINC000925851235 1017161257 /nfs/dbraw/zinc/16/12/57/1017161257.db2.gz QTHWQYFHQSPXNN-JKSUJKDBSA-N 1 3 376.566 3.913 20 0 GHADHO C[C@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC001227962949 1032717590 /nfs/dbraw/zinc/71/75/90/1032717590.db2.gz RYMFTOXWJJNAMF-YOMNLENKSA-N 1 3 386.584 3.584 20 0 GHADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4cccc(Cl)c4)s3)C2)nn1 ZINC000562750696 1018602045 /nfs/dbraw/zinc/60/20/45/1018602045.db2.gz SCSVAYAANVMLNO-QGZVFWFLSA-N 1 3 387.940 3.956 20 0 GHADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccc(Cl)c4)s3)C2)nn1 ZINC000562750696 1018602048 /nfs/dbraw/zinc/60/20/48/1018602048.db2.gz SCSVAYAANVMLNO-QGZVFWFLSA-N 1 3 387.940 3.956 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1)c1ccco1 ZINC001228188705 1032829431 /nfs/dbraw/zinc/82/94/31/1032829431.db2.gz DNDBZSCRXWXYAE-SLFFLAALSA-N 1 3 392.588 3.909 20 0 GHADHO COc1cc(Br)c(CNCCCCC[NH+]2CCCC2)cc1OC ZINC000574773115 1019908869 /nfs/dbraw/zinc/90/88/69/1019908869.db2.gz JCLDMJSCZIBMQD-UHFFFAOYSA-N 1 3 385.346 3.822 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNCc3cccn(C(F)F)c3=O)cc2)CC1 ZINC000638329085 1021040272 /nfs/dbraw/zinc/04/02/72/1021040272.db2.gz MLDPOEXCOOHOCL-UHFFFAOYSA-N 1 3 375.463 3.765 20 0 GHADHO CN(Cc1ccccc1-c1cnc(N)nc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140327892 1021412544 /nfs/dbraw/zinc/41/25/44/1021412544.db2.gz KQBRZNSDASUKFE-UHFFFAOYSA-N 1 3 379.552 3.955 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001140385320 1021538895 /nfs/dbraw/zinc/53/88/95/1021538895.db2.gz BWRBLZHGSZBRPA-IBGZPJMESA-N 1 3 396.560 3.880 20 0 GHADHO c1csc([C@@H](N[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455020 1021603677 /nfs/dbraw/zinc/60/36/77/1021603677.db2.gz HBZFRXMDJGFMAK-YOUFYPILSA-N 1 3 393.560 3.846 20 0 GHADHO c1csc([C@@H](N[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455020 1021603696 /nfs/dbraw/zinc/60/36/96/1021603696.db2.gz HBZFRXMDJGFMAK-YOUFYPILSA-N 1 3 393.560 3.846 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000834890792 1021627690 /nfs/dbraw/zinc/62/76/90/1021627690.db2.gz FNPSRVOWZJHVHX-BPIHKTFHSA-N 1 3 388.556 3.691 20 0 GHADHO Cc1c(C[C@H](CN)C[NH2+]CC[C@H](C)c2cccc(C(F)(F)F)c2)cnn1C ZINC000903922571 1021653721 /nfs/dbraw/zinc/65/37/21/1021653721.db2.gz ZTKOAJZUTZGFKH-GOEBONIOSA-N 1 3 382.474 3.648 20 0 GHADHO COC(=O)c1cccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204685788 1033030240 /nfs/dbraw/zinc/03/02/40/1033030240.db2.gz JWGFOBFMJGMDEB-DHIUTWEWSA-N 1 3 378.516 3.817 20 0 GHADHO COC(=O)c1cccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204685788 1033030252 /nfs/dbraw/zinc/03/02/52/1033030252.db2.gz JWGFOBFMJGMDEB-DHIUTWEWSA-N 1 3 378.516 3.817 20 0 GHADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001228808026 1033109578 /nfs/dbraw/zinc/10/95/78/1033109578.db2.gz XMWXNLUDQNWRET-VQTJNVASSA-N 1 3 394.991 3.752 20 0 GHADHO Cc1cc([C@H]([NH3+])CC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc(Cl)n1 ZINC000830987465 1024289158 /nfs/dbraw/zinc/28/91/58/1024289158.db2.gz DRDAUGMSTCJNLZ-IAGOWNOFSA-N 1 3 395.334 3.506 20 0 GHADHO CCCn1ncc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138635764 1025142073 /nfs/dbraw/zinc/14/20/73/1025142073.db2.gz JYFZBJPQGNCGHJ-HSZRJFAPSA-N 1 3 396.579 3.857 20 0 GHADHO CCCn1ncc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138635764 1025142074 /nfs/dbraw/zinc/14/20/74/1025142074.db2.gz JYFZBJPQGNCGHJ-HSZRJFAPSA-N 1 3 396.579 3.857 20 0 GHADHO NCc1nn(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)c2ccccc12 ZINC001156864983 1033288448 /nfs/dbraw/zinc/28/84/48/1033288448.db2.gz PADNGTWHAFPDIX-UHFFFAOYSA-N 1 3 389.837 3.518 20 0 GHADHO CC(C)Oc1ccc(Cl)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001138963155 1025668049 /nfs/dbraw/zinc/66/80/49/1025668049.db2.gz WITARSKBOPQIOA-UHFFFAOYSA-N 1 3 379.976 3.587 20 0 GHADHO CC(C)COc1ccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138968162 1025680196 /nfs/dbraw/zinc/68/01/96/1025680196.db2.gz KZGWNPLGXOPIDF-ISKFKSNPSA-N 1 3 386.580 3.902 20 0 GHADHO CC(C)COc1ccc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138968162 1025680205 /nfs/dbraw/zinc/68/02/05/1025680205.db2.gz KZGWNPLGXOPIDF-ISKFKSNPSA-N 1 3 386.580 3.902 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3nonc3c1)CC2 ZINC001139220066 1026076195 /nfs/dbraw/zinc/07/61/95/1026076195.db2.gz BRRSTQQZMIYEQF-KRWDZBQOSA-N 1 3 398.532 3.540 20 0 GHADHO COc1cccc(-c2ncc(CN3CCC(C4CC[NH+](C)CC4)CC3)cn2)c1 ZINC001140194354 1026967304 /nfs/dbraw/zinc/96/73/04/1026967304.db2.gz CCNKCDRCXPYGAE-UHFFFAOYSA-N 1 3 380.536 3.706 20 0 GHADHO c1c([C@@H]2CNCCO2)cn2c1cccc2NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166911642 1027150710 /nfs/dbraw/zinc/15/07/10/1027150710.db2.gz WZGQGKXTNKTSDB-GOTSBHOMSA-N 1 3 390.531 3.849 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnc(-c3ccc(C)o3)s2)[C@@H](C)C1 ZINC001461204759 1069442040 /nfs/dbraw/zinc/44/20/40/1069442040.db2.gz DRIMUMMEJYTUAY-YJBOKZPZSA-N 1 3 377.554 3.938 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cccc(C)c1)CC2 ZINC001203891607 1027685986 /nfs/dbraw/zinc/68/59/86/1027685986.db2.gz WHYHUVNOHFXZIK-QHCPKHFHSA-N 1 3 379.548 3.893 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001203963550 1027761174 /nfs/dbraw/zinc/76/11/74/1027761174.db2.gz HWFUMGYXPQQNHV-UHFFFAOYSA-N 1 3 393.575 3.725 20 0 GHADHO CC1CCN([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c2ccccc2)CC1 ZINC001142069868 1028024717 /nfs/dbraw/zinc/02/47/17/1028024717.db2.gz VKIWSRIEUURRHO-PKTZIBPZSA-N 1 3 383.580 3.983 20 0 GHADHO CC1CCN([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c2ccccc2)CC1 ZINC001142069868 1028024733 /nfs/dbraw/zinc/02/47/33/1028024733.db2.gz VKIWSRIEUURRHO-PKTZIBPZSA-N 1 3 383.580 3.983 20 0 GHADHO CCc1cnccc1[C@@H](C)NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001461377715 1069524825 /nfs/dbraw/zinc/52/48/25/1069524825.db2.gz OLTLKWHIVGVDNJ-CYBMUJFWSA-N 1 3 377.435 3.878 20 0 GHADHO CCOC(=O)c1ccc(C[NH+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@@H]3C2)cc1 ZINC001142587682 1029111906 /nfs/dbraw/zinc/11/19/06/1029111906.db2.gz YZRWJWRANRICJQ-DHIUTWEWSA-N 1 3 378.516 3.736 20 0 GHADHO Cc1ccc(CN2CCOC3(CC[NH+](Cc4cccc5nc[nH]c54)CC3)C2)cc1 ZINC001142684396 1029265339 /nfs/dbraw/zinc/26/53/39/1029265339.db2.gz WXBXTKWJBNTDDQ-UHFFFAOYSA-N 1 3 390.531 3.738 20 0 GHADHO C[C@H](CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)N(C)Cc1ccccc1 ZINC001221968655 1029910620 /nfs/dbraw/zinc/91/06/20/1029910620.db2.gz ZZWKHMKUROMCGW-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO Cc1c([C@@H](C)NCCCCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000843342324 1029927333 /nfs/dbraw/zinc/92/73/33/1029927333.db2.gz KELWYGZULJOFGX-CYBMUJFWSA-N 1 3 380.334 3.508 20 0 GHADHO CC1(C)CCC[N@H+](CCNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009144 1029929326 /nfs/dbraw/zinc/92/93/26/1029929326.db2.gz BRRSBEGPFBBLOT-NRFANRHFSA-N 1 3 386.584 3.635 20 0 GHADHO CC1(C)CCC[N@@H+](CCNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009144 1029929328 /nfs/dbraw/zinc/92/93/28/1029929328.db2.gz BRRSBEGPFBBLOT-NRFANRHFSA-N 1 3 386.584 3.635 20 0 GHADHO CC(C)(C)OC(=O)NC/C=C\CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407632 1029980858 /nfs/dbraw/zinc/98/08/58/1029980858.db2.gz VMWYKBOZCZPQQG-WHXUGTBJSA-N 1 3 385.552 3.854 20 0 GHADHO CC(C)(C)OC(=O)NC/C=C\CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407632 1029980864 /nfs/dbraw/zinc/98/08/64/1029980864.db2.gz VMWYKBOZCZPQQG-WHXUGTBJSA-N 1 3 385.552 3.854 20 0 GHADHO Cc1cc(CN2CCC3(CC2)C[NH2+]CCO3)c(OCc2ccccc2)cc1C ZINC001222212174 1030009480 /nfs/dbraw/zinc/00/94/80/1030009480.db2.gz WWKSKCZGQFRYHK-UHFFFAOYSA-N 1 3 380.532 3.837 20 0 GHADHO [NH3+]C1CC2(C1)CCN(Cc1c(Br)cccc1OC(F)F)CC2 ZINC001222215497 1030012127 /nfs/dbraw/zinc/01/21/27/1030012127.db2.gz GISZSRMLZVSNBL-UHFFFAOYSA-N 1 3 375.257 3.754 20 0 GHADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)Nc2ccc(C(C)(C)C[NH3+])cc2)cc1 ZINC001218896937 1031137335 /nfs/dbraw/zinc/13/73/35/1031137335.db2.gz CNEOTKNASVLHJA-FQEVSTJZSA-N 1 3 383.536 3.609 20 0 GHADHO C[NH2+]C1CCC(C(=O)Nc2cccc3c2CN(C)C[C@H]3c2ccccc2)CC1 ZINC001219047164 1031230396 /nfs/dbraw/zinc/23/03/96/1031230396.db2.gz REIROJWIRDPLQA-GRERDSQWSA-N 1 3 377.532 3.981 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001229931910 1033798518 /nfs/dbraw/zinc/79/85/18/1033798518.db2.gz XFWYHLDVFUWMHK-XKGZKEIXSA-N 1 3 394.991 3.547 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001229931910 1033798531 /nfs/dbraw/zinc/79/85/31/1033798531.db2.gz XFWYHLDVFUWMHK-XKGZKEIXSA-N 1 3 394.991 3.547 20 0 GHADHO C[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@H](C)CN1Cc1ccccc1 ZINC001158521685 1034125683 /nfs/dbraw/zinc/12/56/83/1034125683.db2.gz KYVTXEYCXWGDMT-WOJBJXKFSA-N 1 3 394.563 3.559 20 0 GHADHO Cc1cccc(Sc2cncc(N(C3CC[NH2+]CC3)C3CCN(C)CC3)n2)c1 ZINC001158589475 1034181511 /nfs/dbraw/zinc/18/15/11/1034181511.db2.gz SBXQOUCZQAAPRF-UHFFFAOYSA-N 1 3 397.592 3.589 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001207215714 1034182384 /nfs/dbraw/zinc/18/23/84/1034182384.db2.gz KUYGRNWAVVFRSF-OAQYLSRUSA-N 1 3 399.579 3.841 20 0 GHADHO Fc1ccccc1CN1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207291518 1034242116 /nfs/dbraw/zinc/24/21/16/1034242116.db2.gz QYKCSQJGXVGWMY-UHFFFAOYSA-N 1 3 381.539 3.856 20 0 GHADHO O=C([C@H]1CCC[C@@H](c2ccccc2)N1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158977023 1034367052 /nfs/dbraw/zinc/36/70/52/1034367052.db2.gz PZHPADBBFFTZKF-FCHUYYIVSA-N 1 3 381.564 3.737 20 0 GHADHO O=C([C@H]1CCC[C@@H](c2ccccc2)N1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158977023 1034367073 /nfs/dbraw/zinc/36/70/73/1034367073.db2.gz PZHPADBBFFTZKF-FCHUYYIVSA-N 1 3 381.564 3.737 20 0 GHADHO Brc1ccccc1CCN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001207528385 1034430634 /nfs/dbraw/zinc/43/06/34/1034430634.db2.gz VTFULWZALCOUGW-UHFFFAOYSA-N 1 3 395.385 3.816 20 0 GHADHO COc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)CC3 ZINC001207614013 1034489908 /nfs/dbraw/zinc/48/99/08/1034489908.db2.gz WIFOKTRDPBHBEN-UWJYYQICSA-N 1 3 378.520 3.711 20 0 GHADHO Cc1nc(C(C)C)cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159459774 1034603969 /nfs/dbraw/zinc/60/39/69/1034603969.db2.gz DWWUEHXTJBFEMM-UHFFFAOYSA-N 1 3 377.536 3.818 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4ccc(F)cc43)c3ccccc23)CC1 ZINC001159460727 1034606470 /nfs/dbraw/zinc/60/64/70/1034606470.db2.gz ZMAAGLFCHFTEAZ-UHFFFAOYSA-N 1 3 389.478 3.678 20 0 GHADHO C[NH+]1CCC(C)(CN2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208115721 1034742580 /nfs/dbraw/zinc/74/25/80/1034742580.db2.gz LGSCBJXSMDOSJH-FQEVSTJZSA-N 1 3 387.568 3.670 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001231639969 1034796174 /nfs/dbraw/zinc/79/61/74/1034796174.db2.gz DAPOGKONVZXCBO-QHCPKHFHSA-N 1 3 394.563 3.542 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001231639969 1034796186 /nfs/dbraw/zinc/79/61/86/1034796186.db2.gz DAPOGKONVZXCBO-QHCPKHFHSA-N 1 3 394.563 3.542 20 0 GHADHO CC[NH+]1CCC(CN2CCN(c3ccc(Br)cc3C)CC2)CC1 ZINC001208602793 1034952303 /nfs/dbraw/zinc/95/23/03/1034952303.db2.gz NIMHHXQXGVXNNF-UHFFFAOYSA-N 1 3 380.374 3.611 20 0 GHADHO CC(C)(CC[N@@H+]1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)c1ccccc1 ZINC001208664812 1034974101 /nfs/dbraw/zinc/97/41/01/1034974101.db2.gz ASFJINRGLVEELU-ISKFKSNPSA-N 1 3 393.575 3.972 20 0 GHADHO CC(C)(CC[N@H+]1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)c1ccccc1 ZINC001208664812 1034974106 /nfs/dbraw/zinc/97/41/06/1034974106.db2.gz ASFJINRGLVEELU-ISKFKSNPSA-N 1 3 393.575 3.972 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001231906312 1034982481 /nfs/dbraw/zinc/98/24/81/1034982481.db2.gz QGWJVJBPTNLZMC-JOCHJYFZSA-N 1 3 390.531 3.818 20 0 GHADHO COC(=O)[C@H]1CCC[N@@H+](C2CCN(CC3(c4ccccc4)CCCC3)CC2)C1 ZINC001208776978 1035015973 /nfs/dbraw/zinc/01/59/73/1035015973.db2.gz AFOVQFBDPKPLQH-FQEVSTJZSA-N 1 3 384.564 3.848 20 0 GHADHO COC(=O)[C@H]1CCC[N@H+](C2CCN(CC3(c4ccccc4)CCCC3)CC2)C1 ZINC001208776978 1035015981 /nfs/dbraw/zinc/01/59/81/1035015981.db2.gz AFOVQFBDPKPLQH-FQEVSTJZSA-N 1 3 384.564 3.848 20 0 GHADHO C[C@@]1(CC(=O)N(Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC001160680556 1035033771 /nfs/dbraw/zinc/03/37/71/1035033771.db2.gz UNQNZAVTGIOYJT-ZCYQVOJMSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(C[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160681976 1035034741 /nfs/dbraw/zinc/03/47/41/1035034741.db2.gz BCPMJLQPLBYZDM-BJKOFHAPSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(C[C@H]1CCCC[NH2+]1)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160683551 1035035160 /nfs/dbraw/zinc/03/51/60/1035035160.db2.gz NMIGXRMWRWEXEC-RPWUZVMVSA-N 1 3 391.559 3.822 20 0 GHADHO CC(C)(C)OC(=O)c1ccc(CN2CCC(C[N@@H+]3CC[C@H](F)C3)CC2)cc1 ZINC001208815227 1035035738 /nfs/dbraw/zinc/03/57/38/1035035738.db2.gz LHAQFRFFYDXYIH-FQEVSTJZSA-N 1 3 376.516 3.898 20 0 GHADHO CC(C)(C)OC(=O)c1ccc(CN2CCC(C[N@H+]3CC[C@H](F)C3)CC2)cc1 ZINC001208815227 1035035748 /nfs/dbraw/zinc/03/57/48/1035035748.db2.gz LHAQFRFFYDXYIH-FQEVSTJZSA-N 1 3 376.516 3.898 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001232147589 1035125242 /nfs/dbraw/zinc/12/52/42/1035125242.db2.gz CVIMVILBVKMUGS-NRFANRHFSA-N 1 3 387.524 3.578 20 0 GHADHO c1csc(CN2CC[C@@H]3CN(C[C@H]4CC[N@H+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953138 1035125792 /nfs/dbraw/zinc/12/57/92/1035125792.db2.gz YSIWXDZVESOBBQ-BDTNDASRSA-N 1 3 396.604 3.561 20 0 GHADHO c1csc(CN2CC[C@@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953138 1035125794 /nfs/dbraw/zinc/12/57/94/1035125794.db2.gz YSIWXDZVESOBBQ-BDTNDASRSA-N 1 3 396.604 3.561 20 0 GHADHO CN(C[C@H]1CCN(Cc2cc(F)cc(C[NH+](C)C)c2)C1)C(=O)OC(C)(C)C ZINC001232150174 1035128635 /nfs/dbraw/zinc/12/86/35/1035128635.db2.gz UGCAWOBGKDQKLB-MRXNPFEDSA-N 1 3 379.520 3.576 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1 ZINC001232150768 1035128866 /nfs/dbraw/zinc/12/88/66/1035128866.db2.gz UOODUQKXZDRERK-QHCPKHFHSA-N 1 3 399.485 3.655 20 0 GHADHO CC(C)(C)OC(=O)N1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC001208956358 1035129803 /nfs/dbraw/zinc/12/98/03/1035129803.db2.gz HMJVNKCNDZXMLW-NRFANRHFSA-N 1 3 387.568 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001208956358 1035129805 /nfs/dbraw/zinc/12/98/05/1035129805.db2.gz HMJVNKCNDZXMLW-NRFANRHFSA-N 1 3 387.568 3.841 20 0 GHADHO Cc1ccc(CN(C(=O)[C@@H](N)Cc2ccc(C)cc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161396259 1035222042 /nfs/dbraw/zinc/22/20/42/1035222042.db2.gz LMWQUFIKBSQKKQ-HJOGWXRNSA-N 1 3 393.575 3.780 20 0 GHADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001161453356 1035234020 /nfs/dbraw/zinc/23/40/20/1035234020.db2.gz DXRFUYMFMWFUGJ-QZTJIDSGSA-N 1 3 395.469 3.633 20 0 GHADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001161453356 1035234022 /nfs/dbraw/zinc/23/40/22/1035234022.db2.gz DXRFUYMFMWFUGJ-QZTJIDSGSA-N 1 3 395.469 3.633 20 0 GHADHO O=C1N(CC2CC2)c2ccccc2C12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209451979 1035278053 /nfs/dbraw/zinc/27/80/53/1035278053.db2.gz YLMSCIUPDKPIKK-UHFFFAOYSA-N 1 3 381.564 3.653 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc3c(cn1)OCCC3)CC2 ZINC001209500815 1035294136 /nfs/dbraw/zinc/29/41/36/1035294136.db2.gz DZPFAADLRDVIPW-UHFFFAOYSA-N 1 3 392.547 3.678 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc3c(cn1)OCCC3)CC2 ZINC001209500815 1035294139 /nfs/dbraw/zinc/29/41/39/1035294139.db2.gz DZPFAADLRDVIPW-UHFFFAOYSA-N 1 3 392.547 3.678 20 0 GHADHO c1[nH]c([C@@H]2CCC[NH2+]2)nc1-c1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001245423273 1036917803 /nfs/dbraw/zinc/91/78/03/1036917803.db2.gz ATNIYRGKPPSTAL-SFTDATJTSA-N 1 3 378.520 3.769 20 0 GHADHO O[C@@H](CN[C@H](c1ccccc1F)C1CC[NH2+]CC1)COc1ccc(Cl)cc1 ZINC001245996640 1037115950 /nfs/dbraw/zinc/11/59/50/1037115950.db2.gz ATBFSHUGTPBLJU-UWJYYQICSA-N 1 3 392.902 3.549 20 0 GHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246007618 1037127672 /nfs/dbraw/zinc/12/76/72/1037127672.db2.gz XYUYUMLJQIASAE-YZGWKJHDSA-N 1 3 381.347 3.835 20 0 GHADHO COc1ccc2cc(CC[C@H](C)[NH2+]C[C@@]34CCCO[C@@H]3CCNC4)ccc2c1 ZINC001246144791 1037214498 /nfs/dbraw/zinc/21/44/98/1037214498.db2.gz LXBAKNXDUVMONV-GLYQVZKVSA-N 1 3 382.548 3.918 20 0 GHADHO COc1ccc(CC[C@H](C)[NH2+]C2(Cc3ccc(OC)cc3)CCNCC2)cc1 ZINC001246377250 1037335100 /nfs/dbraw/zinc/33/51/00/1037335100.db2.gz IMWDBPGAOWWJKT-IBGZPJMESA-N 1 3 382.548 3.979 20 0 GHADHO COc1cccc(CC2([NH2+][C@@H]3CCc4c(F)cc(F)cc4C3)CCNCC2)c1 ZINC001246378813 1037336176 /nfs/dbraw/zinc/33/61/76/1037336176.db2.gz UGRHQPMCQDCNTL-LJQANCHMSA-N 1 3 386.486 3.785 20 0 GHADHO Clc1ccc(CC2(N[C@H]3CCN(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246391735 1037352208 /nfs/dbraw/zinc/35/22/08/1037352208.db2.gz OMDIXSSAONGCIZ-QFIPXVFZSA-N 1 3 383.967 3.869 20 0 GHADHO COc1ccccc1CC1([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CCNCC1 ZINC001246427798 1037386546 /nfs/dbraw/zinc/38/65/46/1037386546.db2.gz WDPFFNVLGYDFGW-LJQANCHMSA-N 1 3 386.486 3.785 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CCN1 ZINC001246442825 1037405924 /nfs/dbraw/zinc/40/59/24/1037405924.db2.gz UUGBGAMNGLQOKW-WBVHZDCISA-N 1 3 381.358 3.519 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCC[NH2+][C@H]3CCC[C@@H](C)C3)ccc12 ZINC001246498233 1037441425 /nfs/dbraw/zinc/44/14/25/1037441425.db2.gz VQQNLENHHGTVCY-SYNHAJSKSA-N 1 3 399.535 3.706 20 0 GHADHO [NH3+]C[C@@H](N[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001246506382 1037446451 /nfs/dbraw/zinc/44/64/51/1037446451.db2.gz HACIKYJDVHRDEP-MYDTUXCISA-N 1 3 377.532 3.607 20 0 GHADHO N[C@H]1CN([C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246537392 1037471015 /nfs/dbraw/zinc/47/10/15/1037471015.db2.gz WGFWZEGMQHJWMT-ZLOLNMDISA-N 1 3 393.550 3.732 20 0 GHADHO N[C@H]1CN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246537392 1037471045 /nfs/dbraw/zinc/47/10/45/1037471045.db2.gz WGFWZEGMQHJWMT-ZLOLNMDISA-N 1 3 393.550 3.732 20 0 GHADHO CCOC(=O)[C@@]12CN([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001246600944 1037497026 /nfs/dbraw/zinc/49/70/26/1037497026.db2.gz FGIUAXZRDVZJAA-QSFXBCCZSA-N 1 3 398.469 3.501 20 0 GHADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]1CNCCC2 ZINC001246600944 1037497049 /nfs/dbraw/zinc/49/70/49/1037497049.db2.gz FGIUAXZRDVZJAA-QSFXBCCZSA-N 1 3 398.469 3.501 20 0 GHADHO CCOC(=O)[C@@]12C[N@H+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]1CNCCC2 ZINC001246600944 1037497059 /nfs/dbraw/zinc/49/70/59/1037497059.db2.gz FGIUAXZRDVZJAA-QSFXBCCZSA-N 1 3 398.469 3.501 20 0 GHADHO COc1ccc2cc(CC[C@H](C)N3CC[NH2+]C[C@@]4(CCCCN4)C3)ccc2c1 ZINC001246621008 1037513353 /nfs/dbraw/zinc/51/33/53/1037513353.db2.gz ALPSRQZOCIFSTR-CYFREDJKSA-N 1 3 381.564 3.587 20 0 GHADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CCN1 ZINC001246664439 1037535854 /nfs/dbraw/zinc/53/58/54/1037535854.db2.gz XJRTXOFINAXXMK-LPHRJVMESA-N 1 3 379.548 3.672 20 0 GHADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CCN1 ZINC001246664439 1037535870 /nfs/dbraw/zinc/53/58/70/1037535870.db2.gz XJRTXOFINAXXMK-LPHRJVMESA-N 1 3 379.548 3.672 20 0 GHADHO C[C@@H]1C[C@H](N2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246664439 1037535886 /nfs/dbraw/zinc/53/58/86/1037535886.db2.gz XJRTXOFINAXXMK-LPHRJVMESA-N 1 3 379.548 3.672 20 0 GHADHO COc1cccc2c1CC[C@H]([N@@H+]1CC[C@]3(c4ccccc4)CCNC[C@H]3C1)C2 ZINC001246674480 1037540722 /nfs/dbraw/zinc/54/07/22/1037540722.db2.gz UIGURAWIZPPZPR-HWBMXIPRSA-N 1 3 376.544 3.806 20 0 GHADHO COc1cccc2c1CC[C@H]([N@H+]1CC[C@]3(c4ccccc4)CCNC[C@H]3C1)C2 ZINC001246674480 1037540731 /nfs/dbraw/zinc/54/07/31/1037540731.db2.gz UIGURAWIZPPZPR-HWBMXIPRSA-N 1 3 376.544 3.806 20 0 GHADHO CCOC(=O)C1(C)CCC([N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246684651 1037547224 /nfs/dbraw/zinc/54/72/24/1037547224.db2.gz MTQGPVJCWQJURY-QGQLOYOPSA-N 1 3 384.564 3.752 20 0 GHADHO CCOC(=O)C1(C)CCC([N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246684651 1037547248 /nfs/dbraw/zinc/54/72/48/1037547248.db2.gz MTQGPVJCWQJURY-QGQLOYOPSA-N 1 3 384.564 3.752 20 0 GHADHO CC[C@@H]1C[C@@H](N2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246707523 1037561610 /nfs/dbraw/zinc/56/16/10/1037561610.db2.gz BHLYSBJAWULHOE-AIDNLNPPSA-N 1 3 387.568 3.641 20 0 GHADHO c1ccc(OC[C@]23CCCO[C@H]2CCN([C@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246710796 1037563354 /nfs/dbraw/zinc/56/33/54/1037563354.db2.gz RLTMTOHDFANAAK-QNWVGRARSA-N 1 3 399.579 3.786 20 0 GHADHO CCN(CC)C(=O)C[C@H]1CC2(CCN(C3CC[NH2+]CC3)CC2)c2ccccc21 ZINC001246753391 1037593836 /nfs/dbraw/zinc/59/38/36/1037593836.db2.gz LEQNMSZFFSQPHN-IBGZPJMESA-N 1 3 383.580 3.518 20 0 GHADHO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](C3CCNCC3)CC2)c2ccccc21 ZINC001246753391 1037593848 /nfs/dbraw/zinc/59/38/48/1037593848.db2.gz LEQNMSZFFSQPHN-IBGZPJMESA-N 1 3 383.580 3.518 20 0 GHADHO CC(=O)N1CC2(CCN([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)c2cc(C)ccc21 ZINC001246773707 1037616335 /nfs/dbraw/zinc/61/63/35/1037616335.db2.gz GOYWBJLERLPOLP-UGKGYDQZSA-N 1 3 383.580 3.862 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN(CCc3ccccc3)CC2)CC[NH2+]1 ZINC001246790683 1037630879 /nfs/dbraw/zinc/63/08/79/1037630879.db2.gz LWGWFZOIFFKELN-LADGPHEKSA-N 1 3 381.539 3.788 20 0 GHADHO O=C1N(CC2CC2)c2ccccc2[C@]12CCN([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246808172 1037641844 /nfs/dbraw/zinc/64/18/44/1037641844.db2.gz RLPLFYUUXMVLAD-NBGIEHNGSA-N 1 3 393.575 3.842 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1 ZINC001246809048 1037643122 /nfs/dbraw/zinc/64/31/22/1037643122.db2.gz ZWBZUAMGAJMIBF-BEZYRKKYSA-N 1 3 393.550 3.991 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1 ZINC001246809048 1037643131 /nfs/dbraw/zinc/64/31/31/1037643131.db2.gz ZWBZUAMGAJMIBF-BEZYRKKYSA-N 1 3 393.550 3.991 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246812659 1037644852 /nfs/dbraw/zinc/64/48/52/1037644852.db2.gz VPGYHHGSXPCFEF-XZOYJPPVSA-N 1 3 381.564 3.553 20 0 GHADHO Cc1cccc(N2CCCN([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853303 1037678343 /nfs/dbraw/zinc/67/83/43/1037678343.db2.gz UUGGUPWBKWPICW-IFMALSPDSA-N 1 3 382.527 3.843 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246964715 1037786668 /nfs/dbraw/zinc/78/66/68/1037786668.db2.gz MSZCSRNOXREELN-YLJYHZDGSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246964715 1037786690 /nfs/dbraw/zinc/78/66/90/1037786690.db2.gz MSZCSRNOXREELN-YLJYHZDGSA-N 1 3 376.516 3.810 20 0 GHADHO O[C@H](CNC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)c1ccc(F)cc1 ZINC001252864303 1039217628 /nfs/dbraw/zinc/21/76/28/1039217628.db2.gz BFAXMIAFMAXATB-HSZRJFAPSA-N 1 3 381.495 3.637 20 0 GHADHO Brc1cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c[nH]1 ZINC001233436343 1039314611 /nfs/dbraw/zinc/31/46/11/1039314611.db2.gz IHAWMRBILXEZCH-UHFFFAOYSA-N 1 3 389.341 3.660 20 0 GHADHO Brc1cc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c[nH]1 ZINC001233436343 1039314624 /nfs/dbraw/zinc/31/46/24/1039314624.db2.gz IHAWMRBILXEZCH-UHFFFAOYSA-N 1 3 389.341 3.660 20 0 GHADHO CCC(CC)[N@H+](C[C@@H](O)CN(CC)CC)C1CCN(Cc2ccccc2)CC1 ZINC001253188483 1039466771 /nfs/dbraw/zinc/46/67/71/1039466771.db2.gz ZNHRMEBVUULECX-DEOSSOPVSA-N 1 3 389.628 3.844 20 0 GHADHO CCC(CC)[N@@H+](C[C@@H](O)CN(CC)CC)C1CCN(Cc2ccccc2)CC1 ZINC001253188483 1039466782 /nfs/dbraw/zinc/46/67/82/1039466782.db2.gz ZNHRMEBVUULECX-DEOSSOPVSA-N 1 3 389.628 3.844 20 0 GHADHO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001253830819 1039839431 /nfs/dbraw/zinc/83/94/31/1039839431.db2.gz RGAKBWKMWWCZES-ILBGXUMGSA-N 1 3 394.559 3.723 20 0 GHADHO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001253830819 1039839458 /nfs/dbraw/zinc/83/94/58/1039839458.db2.gz RGAKBWKMWWCZES-ILBGXUMGSA-N 1 3 394.559 3.723 20 0 GHADHO COc1ccccc1[C@H]1CCC[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038415 1039968629 /nfs/dbraw/zinc/96/86/29/1039968629.db2.gz HGZWVCUGJYGOGR-JOCHJYFZSA-N 1 3 380.532 3.859 20 0 GHADHO COc1ccccc1[C@H]1CCC[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038415 1039968631 /nfs/dbraw/zinc/96/86/31/1039968631.db2.gz HGZWVCUGJYGOGR-JOCHJYFZSA-N 1 3 380.532 3.859 20 0 GHADHO OC1(C[NH2+]Cc2cccc(OCC3CCC3)c2)CCN(Cc2ccccc2)CC1 ZINC001254051707 1039976858 /nfs/dbraw/zinc/97/68/58/1039976858.db2.gz WIYNQFSPEIOWQD-UHFFFAOYSA-N 1 3 394.559 3.982 20 0 GHADHO FC(F)(F)c1ccccc1-c1ccc(CN2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)o1 ZINC001235036820 1040529495 /nfs/dbraw/zinc/52/94/95/1040529495.db2.gz NUEFVZLTOUXFCX-AUUYWEPGSA-N 1 3 380.410 3.776 20 0 GHADHO Cn1cc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)c2c1ccnc2Cl ZINC001235089260 1040577573 /nfs/dbraw/zinc/57/75/73/1040577573.db2.gz NQHSIDMWQHHCLI-UHFFFAOYSA-N 1 3 380.923 3.864 20 0 GHADHO FC1(F)CCNC[C@@]12CC[N@H+](Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC001235088727 1040577872 /nfs/dbraw/zinc/57/78/72/1040577872.db2.gz OOUYZLGGYRUNNU-OAQYLSRUSA-N 1 3 382.458 3.846 20 0 GHADHO FC1(F)CCNC[C@@]12CC[N@@H+](Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC001235088727 1040577886 /nfs/dbraw/zinc/57/78/86/1040577886.db2.gz OOUYZLGGYRUNNU-OAQYLSRUSA-N 1 3 382.458 3.846 20 0 GHADHO COC(=O)c1cccc2[nH]cc(CN3CCC4(CC3)C[NH2+]Cc3ccccc34)c21 ZINC001235092026 1040581817 /nfs/dbraw/zinc/58/18/17/1040581817.db2.gz CEUYOFVHXJBOFJ-UHFFFAOYSA-N 1 3 389.499 3.592 20 0 GHADHO COc1cc(Br)c(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC001235152584 1040645346 /nfs/dbraw/zinc/64/53/46/1040645346.db2.gz HICCZJHVOGTVNM-GOSISDBHSA-N 1 3 397.357 3.820 20 0 GHADHO [NH3+]C1(Cc2ccccc2C(F)(F)F)CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254940111 1040680267 /nfs/dbraw/zinc/68/02/67/1040680267.db2.gz JVODBMXEOZFZNN-FVQHAEBGSA-N 1 3 380.454 3.799 20 0 GHADHO Clc1ccc(-c2ccccc2CN2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235200646 1040687509 /nfs/dbraw/zinc/68/75/09/1040687509.db2.gz ODVMEYBFFYHAFR-QFIPXVFZSA-N 1 3 386.923 3.588 20 0 GHADHO c1ccc(C2(C[N@@H+]3CC[C@]4(c5ccccc5)CCNC[C@H]4C3)CCOCC2)cc1 ZINC001235364082 1040851508 /nfs/dbraw/zinc/85/15/08/1040851508.db2.gz KUTKANWNSLRLPS-AHWVRZQESA-N 1 3 390.571 3.988 20 0 GHADHO c1ccc(C2(C[N@H+]3CC[C@]4(c5ccccc5)CCNC[C@H]4C3)CCOCC2)cc1 ZINC001235364082 1040851534 /nfs/dbraw/zinc/85/15/34/1040851534.db2.gz KUTKANWNSLRLPS-AHWVRZQESA-N 1 3 390.571 3.988 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235364089 1040853069 /nfs/dbraw/zinc/85/30/69/1040853069.db2.gz KYLZIRRJZRROEI-CGCKEFBRSA-N 1 3 384.564 3.609 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235364089 1040853112 /nfs/dbraw/zinc/85/31/12/1040853112.db2.gz KYLZIRRJZRROEI-CGCKEFBRSA-N 1 3 384.564 3.609 20 0 GHADHO Fc1cnc(OC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)nc1 ZINC001255150058 1040867736 /nfs/dbraw/zinc/86/77/36/1040867736.db2.gz LEHDCNIVUGWIKE-WKCHPHFGSA-N 1 3 396.510 3.655 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC3(CC(N(C)Cc4ccncc4)C3)CC2)C1 ZINC001255359412 1040961814 /nfs/dbraw/zinc/96/18/14/1040961814.db2.gz BMBACBPKYUQKBC-NHCUHLMSSA-N 1 3 399.579 3.880 20 0 GHADHO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001255376966 1040969005 /nfs/dbraw/zinc/96/90/05/1040969005.db2.gz DFWOZYQXUYMLAM-GHTZIAJQSA-N 1 3 386.561 3.795 20 0 GHADHO c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)cc1 ZINC001255390347 1040978520 /nfs/dbraw/zinc/97/85/20/1040978520.db2.gz BBQAKTFUHHVBSJ-NGSHPTGOSA-N 1 3 375.560 3.761 20 0 GHADHO COC(=O)CCc1ccc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255391542 1040979464 /nfs/dbraw/zinc/97/94/64/1040979464.db2.gz RIDGCVFFXZKTEA-HSZRJFAPSA-N 1 3 380.532 3.937 20 0 GHADHO COC(=O)CCc1ccc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255391542 1040979467 /nfs/dbraw/zinc/97/94/67/1040979467.db2.gz RIDGCVFFXZKTEA-HSZRJFAPSA-N 1 3 380.532 3.937 20 0 GHADHO O=C(NC1CC[NH2+]CC1)c1ccc(-c2cccc(CN3CCCCC3)c2F)cc1 ZINC001236019921 1041510310 /nfs/dbraw/zinc/51/03/10/1041510310.db2.gz XDBJEQBEGISPHB-UHFFFAOYSA-N 1 3 395.522 3.960 20 0 GHADHO COCCCOc1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1OC ZINC001236374938 1041687279 /nfs/dbraw/zinc/68/72/79/1041687279.db2.gz GRZUHCGYZRSZQA-HXUWFJFHSA-N 1 3 390.568 3.855 20 0 GHADHO COC(=O)c1cccc(C[N@H+](CC2CCC(F)(F)CC2)C2CCNCC2)c1 ZINC001236465244 1041727107 /nfs/dbraw/zinc/72/71/07/1041727107.db2.gz QPVGXMBSDSFGEI-UHFFFAOYSA-N 1 3 380.479 3.853 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](CC2CCC(F)(F)CC2)C2CCNCC2)c1 ZINC001236465244 1041727115 /nfs/dbraw/zinc/72/71/15/1041727115.db2.gz QPVGXMBSDSFGEI-UHFFFAOYSA-N 1 3 380.479 3.853 20 0 GHADHO COC(=O)c1cccc(CN(CC2CCC(F)(F)CC2)C2CC[NH2+]CC2)c1 ZINC001236465244 1041727123 /nfs/dbraw/zinc/72/71/23/1041727123.db2.gz QPVGXMBSDSFGEI-UHFFFAOYSA-N 1 3 380.479 3.853 20 0 GHADHO [NH3+]C1CCN([C@H]2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)C2)CC1 ZINC001236622522 1041788433 /nfs/dbraw/zinc/78/84/33/1041788433.db2.gz PIAYSUVQWUGILK-NRFANRHFSA-N 1 3 399.966 3.916 20 0 GHADHO CCCN(Cc1ccc(-c2cc(C(F)(F)F)nn2C)s1)C[C@H]1CC[NH2+]C1 ZINC001236835604 1041922639 /nfs/dbraw/zinc/92/26/39/1041922639.db2.gz NVEGPRKUKZTWIW-ZDUSSCGKSA-N 1 3 386.487 3.989 20 0 GHADHO Clc1ccc2c(c1)[C@H]1CN(Cc3ccccc3N3CC[NH2+]CC3)CC[C@@H]1N2 ZINC001237250151 1042107223 /nfs/dbraw/zinc/10/72/23/1042107223.db2.gz SQFAKQHDVAHZMP-CTNGQTDRSA-N 1 3 382.939 3.533 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC2(Cc3ccccc3N2)CC1 ZINC001237347065 1042158704 /nfs/dbraw/zinc/15/87/04/1042158704.db2.gz ZJTPQYNYQXUYIU-UHFFFAOYSA-N 1 3 382.577 3.921 20 0 GHADHO CCOC(=O)[C@@H]1CN(Cc2ccc(-c3cccc(Cl)c3)o2)CCC12C[NH2+]C2 ZINC001237430738 1042205740 /nfs/dbraw/zinc/20/57/40/1042205740.db2.gz MSCSPOFWVPTINA-SFHVURJKSA-N 1 3 388.895 3.575 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccn3nccc3c1)CC2 ZINC001237537279 1042255201 /nfs/dbraw/zinc/25/52/01/1042255201.db2.gz FTPSJDSVUFNQKB-HXUWFJFHSA-N 1 3 396.560 3.651 20 0 GHADHO CC(C)c1cc(Br)cc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001238416249 1042588681 /nfs/dbraw/zinc/58/86/81/1042588681.db2.gz QSVBYFYOHGQVTF-VQTJNVASSA-N 1 3 394.401 3.783 20 0 GHADHO C[C@@H]1C[C@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256528872 1043458800 /nfs/dbraw/zinc/45/88/00/1043458800.db2.gz NDCTXUFYXQQNFG-MWIHYIROSA-N 1 3 377.532 3.649 20 0 GHADHO C[C@@H]1C[C@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256528872 1043458803 /nfs/dbraw/zinc/45/88/03/1043458803.db2.gz NDCTXUFYXQQNFG-MWIHYIROSA-N 1 3 377.532 3.649 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](C3CCN(C(C)(C)C)CC3)C2)C1 ZINC001256569458 1043541844 /nfs/dbraw/zinc/54/18/44/1043541844.db2.gz GFRZECUKOUUEBR-XMSQKQJNSA-N 1 3 397.579 3.920 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](C3CCN(C(C)(C)C)CC3)C2)C1 ZINC001256569458 1043541850 /nfs/dbraw/zinc/54/18/50/1043541850.db2.gz GFRZECUKOUUEBR-XMSQKQJNSA-N 1 3 397.579 3.920 20 0 GHADHO COC(=O)[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC001256613773 1043577575 /nfs/dbraw/zinc/57/75/75/1043577575.db2.gz UXCLKIADVHJASX-PKTZIBPZSA-N 1 3 396.506 3.679 20 0 GHADHO Clc1ccc(CC2([NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)cc1 ZINC001256680953 1043619374 /nfs/dbraw/zinc/61/93/74/1043619374.db2.gz GEBGXZUXNGOFEW-UHFFFAOYSA-N 1 3 392.971 3.665 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687153 1043622330 /nfs/dbraw/zinc/62/23/30/1043622330.db2.gz OLJKYWPMDQPSSQ-VNXZQDSDSA-N 1 3 385.596 3.520 20 0 GHADHO COc1ccccc1CC1([NH3+])CCN([C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256798632 1043657909 /nfs/dbraw/zinc/65/79/09/1043657909.db2.gz BDCCRJAGPAKTFE-GMAHTHKFSA-N 1 3 380.532 3.951 20 0 GHADHO COc1ccc2cc(CC[C@@H](C)[NH2+]CCN3CCN(C(C)C)CC3)ccc2c1 ZINC001257276756 1043953316 /nfs/dbraw/zinc/95/33/16/1043953316.db2.gz YXSITZHFJOMKON-HXUWFJFHSA-N 1 3 383.580 3.785 20 0 GHADHO CN(C1CC1)C1CC[NH+](C2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001257761743 1044150205 /nfs/dbraw/zinc/15/02/05/1044150205.db2.gz LEGDYPZOGAJGNV-UHFFFAOYSA-N 1 3 377.573 3.725 20 0 GHADHO C[N@H+](C1CC1)C1CCN(C2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001257761743 1044150207 /nfs/dbraw/zinc/15/02/07/1044150207.db2.gz LEGDYPZOGAJGNV-UHFFFAOYSA-N 1 3 377.573 3.725 20 0 GHADHO C[N@@H+](C1CC1)C1CCN(C2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001257761743 1044150212 /nfs/dbraw/zinc/15/02/12/1044150212.db2.gz LEGDYPZOGAJGNV-UHFFFAOYSA-N 1 3 377.573 3.725 20 0 GHADHO CC(C)C[NH+]1CCC(N2CCC3(CC[C@@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC001258020026 1044345288 /nfs/dbraw/zinc/34/52/88/1044345288.db2.gz LUFKJSJGUBUHOR-IBGZPJMESA-N 1 3 379.589 3.876 20 0 GHADHO CSCC[C@@H](C)N1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001258228759 1044478951 /nfs/dbraw/zinc/47/89/51/1044478951.db2.gz KGLOSSFNRYZDJP-MRXNPFEDSA-N 1 3 385.618 3.582 20 0 GHADHO [NH3+]C1(c2ccccc2)CCN([C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258576359 1044651682 /nfs/dbraw/zinc/65/16/82/1044651682.db2.gz JWRSTKQCLKYECT-QFIPXVFZSA-N 1 3 377.532 3.518 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578062 1044652857 /nfs/dbraw/zinc/65/28/57/1044652857.db2.gz MCXDPPJEXOFYIS-NFBKMPQASA-N 1 3 379.548 3.665 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578062 1044652860 /nfs/dbraw/zinc/65/28/60/1044652860.db2.gz MCXDPPJEXOFYIS-NFBKMPQASA-N 1 3 379.548 3.665 20 0 GHADHO CCCN1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001297605263 1045586307 /nfs/dbraw/zinc/58/63/07/1045586307.db2.gz HQGWDIKASGLITD-QUCCMNQESA-N 1 3 377.598 3.601 20 0 GHADHO CCCN1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001297605263 1045586314 /nfs/dbraw/zinc/58/63/14/1045586314.db2.gz HQGWDIKASGLITD-QUCCMNQESA-N 1 3 377.598 3.601 20 0 GHADHO COc1cccc(Cl)c1CN1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279309592 1047762615 /nfs/dbraw/zinc/76/26/15/1047762615.db2.gz ZZSSXDDJCDZHIW-NRFANRHFSA-N 1 3 379.976 3.588 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](CNC2CC[NH+](C(C)(C)C)CC2)C(F)(F)C1 ZINC000824853454 1049158536 /nfs/dbraw/zinc/15/85/36/1049158536.db2.gz FTRFWFWPMJFCGZ-HNNXBMFYSA-N 1 3 389.531 3.731 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C(F)(F)C1 ZINC000824853454 1049158547 /nfs/dbraw/zinc/15/85/47/1049158547.db2.gz FTRFWFWPMJFCGZ-HNNXBMFYSA-N 1 3 389.531 3.731 20 0 GHADHO C[NH+](C)Cc1ccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1C(F)(F)F ZINC001288762205 1049221135 /nfs/dbraw/zinc/22/11/35/1049221135.db2.gz NMAXTCZMODEWAQ-SFHVURJKSA-N 1 3 389.437 3.918 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954637 1049720728 /nfs/dbraw/zinc/72/07/28/1049720728.db2.gz MTROVESAZXDPKM-FGZHOGPDSA-N 1 3 387.568 3.867 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954637 1049720736 /nfs/dbraw/zinc/72/07/36/1049720736.db2.gz MTROVESAZXDPKM-FGZHOGPDSA-N 1 3 387.568 3.867 20 0 GHADHO CCOc1c(OC)cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC001308187167 1049905029 /nfs/dbraw/zinc/90/50/29/1049905029.db2.gz VKTQSOBEUQVTFU-UHFFFAOYSA-N 1 3 384.520 3.988 20 0 GHADHO C[C@H](CN1CCOCC1)[N@H+](C)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308730069 1050073312 /nfs/dbraw/zinc/07/33/12/1050073312.db2.gz ONKBMZZSSSYRDE-ZJSXRUAMSA-N 1 3 387.612 3.577 20 0 GHADHO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308730069 1050073317 /nfs/dbraw/zinc/07/33/17/1050073317.db2.gz ONKBMZZSSSYRDE-ZJSXRUAMSA-N 1 3 387.612 3.577 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(n4cc(Br)cn4)CC3)CC2)C1 ZINC001308930549 1050187454 /nfs/dbraw/zinc/18/74/54/1050187454.db2.gz DKHANIMSOSAPPR-CRAIPNDOSA-N 1 3 395.389 3.767 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC001311487216 1052194716 /nfs/dbraw/zinc/19/47/16/1052194716.db2.gz OVSZXQHOVQJEFZ-SLFFLAALSA-N 1 3 392.975 3.649 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC001311487216 1052194722 /nfs/dbraw/zinc/19/47/22/1052194722.db2.gz OVSZXQHOVQJEFZ-SLFFLAALSA-N 1 3 392.975 3.649 20 0 GHADHO CN(CCC(F)(F)F)[C@@H](CNc1nccnc1C[NH3+])c1ccc(Cl)cc1 ZINC001337157503 1052411935 /nfs/dbraw/zinc/41/19/35/1052411935.db2.gz KFRUDQCNVAKOHI-HNNXBMFYSA-N 1 3 387.837 3.626 20 0 GHADHO CCCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCN(Cc2ccccc2)CC1 ZINC001343036861 1053510385 /nfs/dbraw/zinc/51/03/85/1053510385.db2.gz KHZRGFBGPULSPQ-FRIKZZABSA-N 1 3 383.580 3.810 20 0 GHADHO Cc1nc2sc3c(c2c(NCC[N@@H+](C)CCCN(C)C)n1)CCCCC3 ZINC001472828773 1056927071 /nfs/dbraw/zinc/92/70/71/1056927071.db2.gz ONKFKBQVXBFEGU-UHFFFAOYSA-N 1 3 375.586 3.564 20 0 GHADHO Cc1nc2sc3c(c2c(NCC[N@H+](C)CCCN(C)C)n1)CCCCC3 ZINC001472828773 1056927075 /nfs/dbraw/zinc/92/70/75/1056927075.db2.gz ONKFKBQVXBFEGU-UHFFFAOYSA-N 1 3 375.586 3.564 20 0 GHADHO Cc1cc(C)cc(NC(=[NH2+])NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000849058896 1057570250 /nfs/dbraw/zinc/57/02/50/1057570250.db2.gz ZUTZLGXZOYUQFV-JOCHJYFZSA-N 1 3 379.552 3.619 20 0 GHADHO [NH2+]=C(NCCc1c[nH]c2cc(F)ccc12)NC1CCN(Cc2ccccc2)CC1 ZINC000849059860 1057571047 /nfs/dbraw/zinc/57/10/47/1057571047.db2.gz SMBISINEEQXJOD-UHFFFAOYSA-N 1 3 393.510 3.628 20 0 GHADHO [NH2+]=C(NCCc1ccc(Cl)s1)NC1CCN(Cc2ccccc2)CC1 ZINC000849070919 1057580276 /nfs/dbraw/zinc/58/02/76/1057580276.db2.gz PQKCMDSHPGEGDL-UHFFFAOYSA-N 1 3 376.957 3.723 20 0 GHADHO CN(C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586853 1058540962 /nfs/dbraw/zinc/54/09/62/1058540962.db2.gz JWIKOFOLGHIKRX-XZOQPEGZSA-N 1 3 391.559 3.708 20 0 GHADHO CN(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586853 1058540984 /nfs/dbraw/zinc/54/09/84/1058540984.db2.gz JWIKOFOLGHIKRX-XZOQPEGZSA-N 1 3 391.559 3.708 20 0 GHADHO CCCN(C)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC001449261983 1060363717 /nfs/dbraw/zinc/36/37/17/1060363717.db2.gz DLOUNASFFTXEQY-DFQSSKMNSA-N 1 3 379.976 3.960 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006308 1061974146 /nfs/dbraw/zinc/97/41/46/1061974146.db2.gz BPPKELJVWWKZRS-RPWUZVMVSA-N 1 3 391.559 3.598 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006308 1061974150 /nfs/dbraw/zinc/97/41/50/1061974150.db2.gz BPPKELJVWWKZRS-RPWUZVMVSA-N 1 3 391.559 3.598 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@@H](C)C1 ZINC001200459981 1066291252 /nfs/dbraw/zinc/29/12/52/1066291252.db2.gz RDZFTVSYIGJSCR-PKOBYXMFSA-N 1 3 394.629 3.668 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)N(C)C)cc1 ZINC001477786859 1078565827 /nfs/dbraw/zinc/56/58/27/1078565827.db2.gz GTCQVRJAJNVVCI-BDTNDASRSA-N 1 3 388.600 3.660 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CCN(Cc5ccncc5)CC4)[C@@H]3C2)cc1 ZINC000872025877 1067700740 /nfs/dbraw/zinc/70/07/40/1067700740.db2.gz VHHVZDNEMZROPV-ICDZXHCJSA-N 1 3 390.575 3.546 20 0 GHADHO Cc1cccc2c(CCNC(=[NH2+])NC3CCN(Cc4ccccc4)CC3)c[nH]c21 ZINC000849102145 1067728887 /nfs/dbraw/zinc/72/88/87/1067728887.db2.gz AOQKFUHNLOHZEY-UHFFFAOYSA-N 1 3 389.547 3.797 20 0 GHADHO CC(C)[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000849104979 1067730106 /nfs/dbraw/zinc/73/01/06/1067730106.db2.gz JOTKVYXGWWHYCK-JOCHJYFZSA-N 1 3 379.552 3.600 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001468978410 1067942882 /nfs/dbraw/zinc/94/28/82/1067942882.db2.gz TVOOFBFDSFYECB-PKOBYXMFSA-N 1 3 392.613 3.647 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001468978410 1067942889 /nfs/dbraw/zinc/94/28/89/1067942889.db2.gz TVOOFBFDSFYECB-PKOBYXMFSA-N 1 3 392.613 3.647 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001478590802 1078927952 /nfs/dbraw/zinc/92/79/52/1078927952.db2.gz JRWLRUMDDBDQAD-WTIAFYNJSA-N 1 3 398.595 3.870 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001478590802 1078927957 /nfs/dbraw/zinc/92/79/57/1078927957.db2.gz JRWLRUMDDBDQAD-WTIAFYNJSA-N 1 3 398.595 3.870 20 0 GHADHO C[C@H]1CN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC001479135456 1079117080 /nfs/dbraw/zinc/11/70/80/1079117080.db2.gz FPTJCVGXQDERBE-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1CN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC001479135456 1079117084 /nfs/dbraw/zinc/11/70/84/1079117084.db2.gz FPTJCVGXQDERBE-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1)c1ccccc1 ZINC001473111494 1073785340 /nfs/dbraw/zinc/78/53/40/1073785340.db2.gz HHODWNTYLKIZCG-GOTSBHOMSA-N 1 3 379.548 3.503 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1)c1ccccc1 ZINC001473111494 1073785345 /nfs/dbraw/zinc/78/53/45/1073785345.db2.gz HHODWNTYLKIZCG-GOTSBHOMSA-N 1 3 379.548 3.503 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](CN1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145180 1073807614 /nfs/dbraw/zinc/80/76/14/1073807614.db2.gz DWIZLLRBRZDAFR-LADGPHEKSA-N 1 3 393.575 3.880 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](CN1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145180 1073807618 /nfs/dbraw/zinc/80/76/18/1073807618.db2.gz DWIZLLRBRZDAFR-LADGPHEKSA-N 1 3 393.575 3.880 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCC1CCCCC1 ZINC001473358512 1073935019 /nfs/dbraw/zinc/93/50/19/1073935019.db2.gz YDZJSUPXXWQODD-GZOXUSKESA-N 1 3 385.596 3.819 20 0 GHADHO C[C@H](CN1CCN(c2ccccc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001474017543 1074236702 /nfs/dbraw/zinc/23/67/02/1074236702.db2.gz GXYKQYVYAUQFEA-OAQYLSRUSA-N 1 3 384.612 3.584 20 0 GHADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1Oc1cccnc1 ZINC001474068065 1074253105 /nfs/dbraw/zinc/25/31/05/1074253105.db2.gz OBZPSFITNQQCOB-FGZHOGPDSA-N 1 3 381.520 3.650 20 0 GHADHO CCOc1cc(C[NH+]2CCC(CCCN3CCOCC3)CC2)c(F)cc1OC ZINC001474392905 1074382108 /nfs/dbraw/zinc/38/21/08/1074382108.db2.gz ZVMLJEGJDPUKCX-UHFFFAOYSA-N 1 3 394.531 3.557 20 0 GHADHO Cn1ccc2c1cc[nH+]c2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906099 721694214 /nfs/dbraw/zinc/69/42/14/721694214.db2.gz LEGFFKIJXAESOB-OAQYLSRUSA-N 1 3 397.473 3.706 20 0 GHADHO COc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079453 837403577 /nfs/dbraw/zinc/40/35/77/837403577.db2.gz CFQORBBIPQEWRK-WIYYLYMNSA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079453 837403581 /nfs/dbraw/zinc/40/35/81/837403581.db2.gz CFQORBBIPQEWRK-WIYYLYMNSA-N 1 3 395.547 3.552 20 0 GHADHO Clc1ccccc1[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCCC1 ZINC000655692333 837673144 /nfs/dbraw/zinc/67/31/44/837673144.db2.gz UNSPKGUCDZACHZ-DENIHFKCSA-N 1 3 391.987 3.710 20 0 GHADHO c1ccc(OCc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000655724857 837747528 /nfs/dbraw/zinc/74/75/28/837747528.db2.gz IPIKMOTZBHRTJL-DEOSSOPVSA-N 1 3 380.532 3.999 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000141552855 834781665 /nfs/dbraw/zinc/78/16/65/834781665.db2.gz KXLSFMJPDGFDBP-UHFFFAOYSA-N 1 3 394.563 3.556 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000141552855 834781676 /nfs/dbraw/zinc/78/16/76/834781676.db2.gz KXLSFMJPDGFDBP-UHFFFAOYSA-N 1 3 394.563 3.556 20 0 GHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1cccc(Cl)c1 ZINC000583702590 834898503 /nfs/dbraw/zinc/89/85/03/834898503.db2.gz YFUBKVUVGIWMAN-UHFFFAOYSA-N 1 3 377.960 3.889 20 0 GHADHO CCCN(CCc1cccs1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655001353 834945119 /nfs/dbraw/zinc/94/51/19/834945119.db2.gz YIPJXDLZJDIJBK-UHFFFAOYSA-N 1 3 391.625 3.726 20 0 GHADHO C[C@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511286078 834994373 /nfs/dbraw/zinc/99/43/73/834994373.db2.gz LCEHQYDZHMVXIE-KBNVZVJVSA-N 1 3 390.616 3.545 20 0 GHADHO C[C@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511286078 834994384 /nfs/dbraw/zinc/99/43/84/834994384.db2.gz LCEHQYDZHMVXIE-KBNVZVJVSA-N 1 3 390.616 3.545 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274758074 835037377 /nfs/dbraw/zinc/03/73/77/835037377.db2.gz JHIVADQJINZHCX-GHTZIAJQSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(-n2ccnc2)c1 ZINC000583886754 835196699 /nfs/dbraw/zinc/19/66/99/835196699.db2.gz ALVKUJQTRFODKD-RDPSFJRHSA-N 1 3 390.531 3.814 20 0 GHADHO C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(-n2ccnc2)c1 ZINC000583886754 835196705 /nfs/dbraw/zinc/19/67/05/835196705.db2.gz ALVKUJQTRFODKD-RDPSFJRHSA-N 1 3 390.531 3.814 20 0 GHADHO Cn1cc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000685632367 835240531 /nfs/dbraw/zinc/24/05/31/835240531.db2.gz HRBYCSKUGDFXAS-NRFANRHFSA-N 1 3 389.547 3.874 20 0 GHADHO COc1cc2ccc([C@H](C)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2cc1OC ZINC000657924920 835250205 /nfs/dbraw/zinc/25/02/05/835250205.db2.gz JNOBWELFNNEKNI-SSKFGXFMSA-N 1 3 398.547 3.885 20 0 GHADHO COc1cc2ccc([C@H](C)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2cc1OC ZINC000657924919 835250390 /nfs/dbraw/zinc/25/03/90/835250390.db2.gz JNOBWELFNNEKNI-KNXBSLHKSA-N 1 3 398.547 3.885 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665250 835285942 /nfs/dbraw/zinc/28/59/42/835285942.db2.gz YXFAIMWZGUHPDB-PZJWPPBQSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665250 835285950 /nfs/dbraw/zinc/28/59/50/835285950.db2.gz YXFAIMWZGUHPDB-PZJWPPBQSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665250 835285956 /nfs/dbraw/zinc/28/59/56/835285956.db2.gz YXFAIMWZGUHPDB-PZJWPPBQSA-N 1 3 390.535 3.615 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]([C@@H]4CCCC4(C)C)C3)CC2)CC1 ZINC000655160292 835316587 /nfs/dbraw/zinc/31/65/87/835316587.db2.gz OQKZLGLNTRJWGC-IRLDBZIGSA-N 1 3 389.628 3.858 20 0 GHADHO Fc1ccc([C@H](NCC2CC[NH+](C3CCOCC3)CC2)c2cccnc2)cc1 ZINC000658069827 835410022 /nfs/dbraw/zinc/41/00/22/835410022.db2.gz JAIZFMIRSFJHTF-QHCPKHFHSA-N 1 3 383.511 3.791 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142670 835454043 /nfs/dbraw/zinc/45/40/43/835454043.db2.gz VZLBLFNSUGQRDQ-RBBKRZOGSA-N 1 3 378.516 3.789 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142670 835454046 /nfs/dbraw/zinc/45/40/46/835454046.db2.gz VZLBLFNSUGQRDQ-RBBKRZOGSA-N 1 3 378.516 3.789 20 0 GHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658140726 835467376 /nfs/dbraw/zinc/46/73/76/835467376.db2.gz QUYWMRLIFINCLD-GGAORHGYSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658140726 835467383 /nfs/dbraw/zinc/46/73/83/835467383.db2.gz QUYWMRLIFINCLD-GGAORHGYSA-N 1 3 380.532 3.874 20 0 GHADHO COc1cc2c(cc1OC)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000658168470 835483745 /nfs/dbraw/zinc/48/37/45/835483745.db2.gz XIYRBEQFPQQXNC-OAQYLSRUSA-N 1 3 381.520 3.588 20 0 GHADHO CN(CC1CC[NH+](C)CC1)Cn1ncc2ccc(OCc3ccccc3)cc21 ZINC000748086660 835783003 /nfs/dbraw/zinc/78/30/03/835783003.db2.gz PBDVVLWLXNDBDG-UHFFFAOYSA-N 1 3 378.520 3.846 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(Cc3ccccc3)C3CC3)CC2)CC1 ZINC000584360934 835909811 /nfs/dbraw/zinc/90/98/11/835909811.db2.gz WAFIUXQBKYVMNQ-RUZDIDTESA-N 1 3 397.607 3.710 20 0 GHADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3cnc(C4CC4)o3)cc2)C[C@H]1C ZINC000628231917 835929659 /nfs/dbraw/zinc/92/96/59/835929659.db2.gz GKCPBPQJLVTEAS-QZTJIDSGSA-N 1 3 383.536 3.851 20 0 GHADHO Cc1nn(C)c2ncc(CNCc3ccc(C[NH+]4CCC(C)CC4)cc3)cc12 ZINC000236722956 837006646 /nfs/dbraw/zinc/00/66/46/837006646.db2.gz PZLJXFSCCPZAIZ-UHFFFAOYSA-N 1 3 377.536 3.798 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(OC(F)F)c1 ZINC000414311758 837044823 /nfs/dbraw/zinc/04/48/23/837044823.db2.gz VGIOUJNIZQPOBH-KRWDZBQOSA-N 1 3 390.474 3.966 20 0 GHADHO Cc1cc(OCCC[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1Cl ZINC000510951837 844238015 /nfs/dbraw/zinc/23/80/15/844238015.db2.gz PYPOQUDBBZJRSO-SFHVURJKSA-N 1 3 381.992 3.812 20 0 GHADHO COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCc1ccncc1 ZINC000892616156 837139743 /nfs/dbraw/zinc/13/97/43/837139743.db2.gz XWDKEQLHVRHGBL-ZNDGOPKYSA-N 1 3 381.520 3.945 20 0 GHADHO CCC[C@@](C)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000892522273 837258356 /nfs/dbraw/zinc/25/83/56/837258356.db2.gz VTMJXZICHKDDSC-HSZRJFAPSA-N 1 3 386.584 3.560 20 0 GHADHO CC(C)[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533706979 838154420 /nfs/dbraw/zinc/15/44/20/838154420.db2.gz FYTZYIPLPJWIJR-NRFANRHFSA-N 1 3 389.559 3.632 20 0 GHADHO CN1CC[C@@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000415973080 838331247 /nfs/dbraw/zinc/33/12/47/838331247.db2.gz PZYYYVFIVZWQAM-QZTJIDSGSA-N 1 3 392.425 3.731 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccsc1 ZINC000659433338 838384824 /nfs/dbraw/zinc/38/48/24/838384824.db2.gz AHBUXNLAXIQYGR-UYAOXDASSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000415999807 838390022 /nfs/dbraw/zinc/39/00/22/838390022.db2.gz VZZPJIUDRLFBHE-VGSWGCGISA-N 1 3 378.520 3.807 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000415999807 838390031 /nfs/dbraw/zinc/39/00/31/838390031.db2.gz VZZPJIUDRLFBHE-VGSWGCGISA-N 1 3 378.520 3.807 20 0 GHADHO Cc1oc2ccccc2c1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414554461 838622763 /nfs/dbraw/zinc/62/27/63/838622763.db2.gz KVSRQRCXPRDJGD-UHFFFAOYSA-N 1 3 391.515 3.728 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000580128657 838926038 /nfs/dbraw/zinc/92/60/38/838926038.db2.gz QQHMQZGCRYLLOU-FNORWQNLSA-N 1 3 393.522 3.538 20 0 GHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccccc3OCc3ccccc3)CC2)C1 ZINC000415117915 839229758 /nfs/dbraw/zinc/22/97/58/839229758.db2.gz CPHHPCFICKXHJD-LADGPHEKSA-N 1 3 380.532 3.984 20 0 GHADHO CCCOc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415118292 839230422 /nfs/dbraw/zinc/23/04/22/839230422.db2.gz CYWOFSWVFVCTGJ-CTNGQTDRSA-N 1 3 376.541 3.592 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)N(CCOCC[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)C1 ZINC000580425056 839545479 /nfs/dbraw/zinc/54/54/79/839545479.db2.gz DSQPYJVOVGOHQZ-GKIBHXGMSA-N 1 3 394.563 3.959 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)N(CCOCC[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)C1 ZINC000580425056 839545487 /nfs/dbraw/zinc/54/54/87/839545487.db2.gz DSQPYJVOVGOHQZ-GKIBHXGMSA-N 1 3 394.563 3.959 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCOCCN2C[C@@H](C)C[C@H]2c2cccnc2)C1 ZINC000580425056 839545501 /nfs/dbraw/zinc/54/55/01/839545501.db2.gz DSQPYJVOVGOHQZ-GKIBHXGMSA-N 1 3 394.563 3.959 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCOCCN2C[C@@H](C)C[C@H]2c2cccnc2)C1 ZINC000580425056 839545514 /nfs/dbraw/zinc/54/55/14/839545514.db2.gz DSQPYJVOVGOHQZ-GKIBHXGMSA-N 1 3 394.563 3.959 20 0 GHADHO O=C(CC1(N2CCOCC2)CCCC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000580496317 839677291 /nfs/dbraw/zinc/67/72/91/839677291.db2.gz FRLBFKFUDDOVMK-UHFFFAOYSA-N 1 3 399.579 3.689 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000644530791 839778780 /nfs/dbraw/zinc/77/87/80/839778780.db2.gz OXHGRCLBZOHIIY-DHIUTWEWSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644530791 839778790 /nfs/dbraw/zinc/77/87/90/839778790.db2.gz OXHGRCLBZOHIIY-DHIUTWEWSA-N 1 3 382.548 3.545 20 0 GHADHO C[NH+](C)CCc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000580594809 839867264 /nfs/dbraw/zinc/86/72/64/839867264.db2.gz YIVODNGOVGZNNY-UHFFFAOYSA-N 1 3 393.575 3.571 20 0 GHADHO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972467 839909173 /nfs/dbraw/zinc/90/91/73/839909173.db2.gz NBPQLXFCSUEKPR-QGZVFWFLSA-N 1 3 387.351 3.541 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000418461725 840261893 /nfs/dbraw/zinc/26/18/93/840261893.db2.gz MGYXEKOUHRBOBP-RTBURBONSA-N 1 3 380.536 3.512 20 0 GHADHO CN1CCN(CC[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1(C)C ZINC000500369173 840285687 /nfs/dbraw/zinc/28/56/87/840285687.db2.gz NLVXGXFAWUBKBF-UHFFFAOYSA-N 1 3 387.518 3.712 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(OC)c1 ZINC000416928356 840286861 /nfs/dbraw/zinc/28/68/61/840286861.db2.gz UTRLJPSZKOIZHE-JTSKRJEESA-N 1 3 398.551 3.597 20 0 GHADHO CCN(C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418482370 840301535 /nfs/dbraw/zinc/30/15/35/840301535.db2.gz FAUSMHDWYZAISS-GCJKJVERSA-N 1 3 380.536 3.512 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000417351506 840748257 /nfs/dbraw/zinc/74/82/57/840748257.db2.gz CXDRQVMANYBWMX-DHIUTWEWSA-N 1 3 394.563 3.911 20 0 GHADHO c1ccc(C[NH2+]C2CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC2)cc1 ZINC000660678101 841091887 /nfs/dbraw/zinc/09/18/87/841091887.db2.gz RCFQMOCGSJHOAF-VWLOTQADSA-N 1 3 393.575 3.532 20 0 GHADHO COc1ccc(OCc2ccccn2)c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784331 841920593 /nfs/dbraw/zinc/92/05/93/841920593.db2.gz AMVJZVOMTRIXRO-FQEVSTJZSA-N 1 3 395.547 3.881 20 0 GHADHO CN1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000623657611 861302426 /nfs/dbraw/zinc/30/24/26/861302426.db2.gz VKTYJEUWTDLCBK-KRWDZBQOSA-N 1 3 394.401 3.735 20 0 GHADHO C[C@H]1C[C@H](N(C)C[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000430839563 843056244 /nfs/dbraw/zinc/05/62/44/843056244.db2.gz OVLAQNFWIPWFMP-TUACAJSNSA-N 1 3 382.548 3.549 20 0 GHADHO C[C@H]1C[C@H](N(C)C[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430839563 843056251 /nfs/dbraw/zinc/05/62/51/843056251.db2.gz OVLAQNFWIPWFMP-TUACAJSNSA-N 1 3 382.548 3.549 20 0 GHADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc21 ZINC000662348091 843154859 /nfs/dbraw/zinc/15/48/59/843154859.db2.gz NPLQSVFTNTXUAG-UYAOXDASSA-N 1 3 383.561 3.694 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3cccc4c3CNC4)cc2)C1 ZINC000662386442 843183378 /nfs/dbraw/zinc/18/33/78/843183378.db2.gz IQXFSKSBSODJGV-ROUUACIJSA-N 1 3 377.532 3.698 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H]3NCc4ccccc43)c2)CC1 ZINC000662436037 843238765 /nfs/dbraw/zinc/23/87/65/843238765.db2.gz LUIGVMDBXZDZSY-QHCPKHFHSA-N 1 3 377.532 3.769 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000662488203 843328115 /nfs/dbraw/zinc/32/81/15/843328115.db2.gz RIVRHYLHMWWWSI-QHCPKHFHSA-N 1 3 395.572 3.522 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000662488203 843328124 /nfs/dbraw/zinc/32/81/24/843328124.db2.gz RIVRHYLHMWWWSI-QHCPKHFHSA-N 1 3 395.572 3.522 20 0 GHADHO CN(C)C(=O)Nc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000684538575 843402519 /nfs/dbraw/zinc/40/25/19/843402519.db2.gz VOUFDNXCEMPXNX-UHFFFAOYSA-N 1 3 396.535 3.545 20 0 GHADHO FC(F)Cn1cc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000510800218 843506028 /nfs/dbraw/zinc/50/60/28/843506028.db2.gz YHRJLCDLQGDRTJ-UHFFFAOYSA-N 1 3 382.886 3.803 20 0 GHADHO COc1cc(C[NH2+]C[C@H](O)CN2CCC(C)CC2)c(-c2ccccc2)cc1OC ZINC000237455704 843944143 /nfs/dbraw/zinc/94/41/43/843944143.db2.gz KZGFSORFXZOROC-NRFANRHFSA-N 1 3 398.547 3.553 20 0 GHADHO CC1CC[NH+]([C@H](CNC(=O)c2ccccc2CN(C)C)c2ccccc2)CC1 ZINC000433308807 844006302 /nfs/dbraw/zinc/00/63/02/844006302.db2.gz VOHLCSAKFAHXBA-HSZRJFAPSA-N 1 3 379.548 3.951 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000236828185 845237220 /nfs/dbraw/zinc/23/72/20/845237220.db2.gz QYQONHFOOHLAHW-ROUUACIJSA-N 1 3 397.485 3.594 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000498590600 861548389 /nfs/dbraw/zinc/54/83/89/861548389.db2.gz IKNDIRYJOUHSNQ-XLIONFOSSA-N 1 3 390.572 3.805 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433948976 845648267 /nfs/dbraw/zinc/64/82/67/845648267.db2.gz HYDDUMXDSRIKCN-QHCPKHFHSA-N 1 3 398.595 3.557 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433948976 845648271 /nfs/dbraw/zinc/64/82/71/845648271.db2.gz HYDDUMXDSRIKCN-QHCPKHFHSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2ccnn2-c2ccncc2)C1 ZINC000657311799 846041028 /nfs/dbraw/zinc/04/10/28/846041028.db2.gz VNAZPQSWNVFTAO-IBGZPJMESA-N 1 3 375.520 3.789 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccnn2-c2ccncc2)C1 ZINC000657311799 846041037 /nfs/dbraw/zinc/04/10/37/846041037.db2.gz VNAZPQSWNVFTAO-IBGZPJMESA-N 1 3 375.520 3.789 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472144162 846159592 /nfs/dbraw/zinc/15/95/92/846159592.db2.gz MZYFVNIMDVWDOM-MOPGFXCFSA-N 1 3 385.552 3.551 20 0 GHADHO Cc1ccc(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000501051188 846603347 /nfs/dbraw/zinc/60/33/47/846603347.db2.gz XZFHHXOEVXVMGF-KRWDZBQOSA-N 1 3 384.499 3.705 20 0 GHADHO Cc1ccc(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000501051189 846603605 /nfs/dbraw/zinc/60/36/05/846603605.db2.gz XZFHHXOEVXVMGF-QGZVFWFLSA-N 1 3 384.499 3.705 20 0 GHADHO OC1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccccc2)CC1 ZINC000414556017 846635416 /nfs/dbraw/zinc/63/54/16/846635416.db2.gz XYHFHGBRCBOZAH-UHFFFAOYSA-N 1 3 387.527 3.865 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(O[C@@H]3CCOC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000657389189 846819400 /nfs/dbraw/zinc/81/94/00/846819400.db2.gz SVJZJKLKMQPQLM-WNOPAQSVSA-N 1 3 380.532 3.997 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(O[C@@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000657389189 846819404 /nfs/dbraw/zinc/81/94/04/846819404.db2.gz SVJZJKLKMQPQLM-WNOPAQSVSA-N 1 3 380.532 3.997 20 0 GHADHO CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000501381070 846892502 /nfs/dbraw/zinc/89/25/02/846892502.db2.gz IWGBKPDUGUJNJZ-OAQYLSRUSA-N 1 3 381.564 3.912 20 0 GHADHO C[C@H]1CC([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168044710 861756863 /nfs/dbraw/zinc/75/68/63/861756863.db2.gz GRGOHDGKIJQDCX-ROUUACIJSA-N 1 3 387.568 3.885 20 0 GHADHO COc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000272902225 847203451 /nfs/dbraw/zinc/20/34/51/847203451.db2.gz KKJJUKZYGWUUNK-XMSQKQJNSA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000272902225 847203459 /nfs/dbraw/zinc/20/34/59/847203459.db2.gz KKJJUKZYGWUUNK-XMSQKQJNSA-N 1 3 395.547 3.552 20 0 GHADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000501827662 847216765 /nfs/dbraw/zinc/21/67/65/847216765.db2.gz QIQVJYCFWAENLG-LEWJYISDSA-N 1 3 397.567 3.744 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000657429743 847244277 /nfs/dbraw/zinc/24/42/77/847244277.db2.gz KAFPPSVIBVRJCC-KWOQKUFVSA-N 1 3 380.532 3.855 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000421016284 847638981 /nfs/dbraw/zinc/63/89/81/847638981.db2.gz UMTYOWHWKCRQNP-UHFFFAOYSA-N 1 3 385.474 3.577 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000421016284 847638984 /nfs/dbraw/zinc/63/89/84/847638984.db2.gz UMTYOWHWKCRQNP-UHFFFAOYSA-N 1 3 385.474 3.577 20 0 GHADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422818323 847852185 /nfs/dbraw/zinc/85/21/85/847852185.db2.gz GDEJEECUKXKNNM-CGTJXYLNSA-N 1 3 393.959 3.886 20 0 GHADHO COc1ccc([C@H](NC2CCN([C@H](C)c3ccncc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422963936 847904810 /nfs/dbraw/zinc/90/48/10/847904810.db2.gz HJHSVBIUWFPTNY-QFWMQHCXSA-N 1 3 394.563 3.699 20 0 GHADHO CCOC(=O)C1([C@H](C)N[C@H](c2ccccc2)c2ccccc2OC)CC[NH2+]CC1 ZINC000422961362 847916442 /nfs/dbraw/zinc/91/64/42/847916442.db2.gz YYIZLAOGJIZBKK-PGRDOPGGSA-N 1 3 396.531 3.696 20 0 GHADHO Cc1ccc(-c2ncc(CNCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)s2)cc1 ZINC000657594340 848283878 /nfs/dbraw/zinc/28/38/78/848283878.db2.gz IPQVLZKGRWXPDD-NRFANRHFSA-N 1 3 393.556 3.975 20 0 GHADHO Cc1ccc(-c2ncc(CNCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)s2)cc1 ZINC000657594340 848283884 /nfs/dbraw/zinc/28/38/84/848283884.db2.gz IPQVLZKGRWXPDD-NRFANRHFSA-N 1 3 393.556 3.975 20 0 GHADHO Cc1c(Br)cncc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612893 848338852 /nfs/dbraw/zinc/33/88/52/848338852.db2.gz DNAWEFQYKCRHSZ-UHFFFAOYSA-N 1 3 389.341 3.549 20 0 GHADHO C[C@@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000604171036 861922840 /nfs/dbraw/zinc/92/28/40/861922840.db2.gz JOGZKVSUBFPAAH-RZUBCFFCSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000604171036 861922860 /nfs/dbraw/zinc/92/28/60/861922860.db2.gz JOGZKVSUBFPAAH-RZUBCFFCSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604179989 861936996 /nfs/dbraw/zinc/93/69/96/861936996.db2.gz YPAKVPGHNWVBAH-RZUBCFFCSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604179989 861937013 /nfs/dbraw/zinc/93/70/13/861937013.db2.gz YPAKVPGHNWVBAH-RZUBCFFCSA-N 1 3 386.584 3.633 20 0 GHADHO CN1CCC(O)(C[NH2+][C@H]2CCC(C)(C)c3ccc(Br)cc32)CC1 ZINC000481653032 861952279 /nfs/dbraw/zinc/95/22/79/861952279.db2.gz AYSPDGLLAIRBCM-KRWDZBQOSA-N 1 3 381.358 3.608 20 0 GHADHO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000685073675 848993823 /nfs/dbraw/zinc/99/38/23/848993823.db2.gz CBWCWWBSPMVEIS-SFHVURJKSA-N 1 3 392.613 3.520 20 0 GHADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000685073675 848993835 /nfs/dbraw/zinc/99/38/35/848993835.db2.gz CBWCWWBSPMVEIS-SFHVURJKSA-N 1 3 392.613 3.520 20 0 GHADHO COc1cccc(-c2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)c1OC ZINC000583087642 849036433 /nfs/dbraw/zinc/03/64/33/849036433.db2.gz ZBCXJQDRMLOOJJ-JKSUJKDBSA-N 1 3 387.549 3.649 20 0 GHADHO C[C@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1cccc(-n2cnnn2)c1 ZINC000126414475 849385469 /nfs/dbraw/zinc/38/54/69/849385469.db2.gz AVZSRSJGTYKZKC-IBGZPJMESA-N 1 3 390.535 3.745 20 0 GHADHO CCSc1ccc([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000535988465 849558907 /nfs/dbraw/zinc/55/89/07/849558907.db2.gz FNTPJSBRJPVGJI-QGZVFWFLSA-N 1 3 385.577 3.941 20 0 GHADHO Fc1ccccc1CN1CCC(C[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000155708651 849611126 /nfs/dbraw/zinc/61/11/26/849611126.db2.gz IYJWKFGMOLNYPR-UHFFFAOYSA-N 1 3 387.465 3.654 20 0 GHADHO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@@H]1CCCCN1 ZINC000423187407 849795261 /nfs/dbraw/zinc/79/52/61/849795261.db2.gz PHDYOZHDKBINTO-BEFAXECRSA-N 1 3 380.374 3.534 20 0 GHADHO C[C@@H](NC1CCN(Cc2cccc(Br)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423187407 849795270 /nfs/dbraw/zinc/79/52/70/849795270.db2.gz PHDYOZHDKBINTO-BEFAXECRSA-N 1 3 380.374 3.534 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC000423361911 849885797 /nfs/dbraw/zinc/88/57/97/849885797.db2.gz SQDGGGBPNFFQFI-WCQYABFASA-N 1 3 377.838 3.808 20 0 GHADHO C[C@@H]1CC2(CN1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424294398 850338286 /nfs/dbraw/zinc/33/82/86/850338286.db2.gz QCLHCKKIJOJYPC-OFNKIYASSA-N 1 3 391.559 3.551 20 0 GHADHO CC1CCN([C@@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c2cccs2)CC1 ZINC000514934613 850503828 /nfs/dbraw/zinc/50/38/28/850503828.db2.gz UZVIZRGSMMKRRJ-UXHICEINSA-N 1 3 383.561 3.524 20 0 GHADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000519081387 850605698 /nfs/dbraw/zinc/60/56/98/850605698.db2.gz YLDWSBFNBIFUGT-QHCPKHFHSA-N 1 3 379.548 3.906 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000519141901 850662349 /nfs/dbraw/zinc/66/23/49/850662349.db2.gz SNGKSDIATSNFLA-NFBKMPQASA-N 1 3 382.548 3.858 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167966127 850823702 /nfs/dbraw/zinc/82/37/02/850823702.db2.gz QTVMSFZPPCLMIH-MNIJEXPFSA-N 1 3 377.573 3.627 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414832417 850869774 /nfs/dbraw/zinc/86/97/74/850869774.db2.gz DMEIZYDVTJZNOR-CXAGYDPISA-N 1 3 382.346 3.663 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)C[C@H](C)O1 ZINC000425412769 850961288 /nfs/dbraw/zinc/96/12/88/850961288.db2.gz CCJCCVVHZOPCMG-BGYRXZFFSA-N 1 3 394.563 3.855 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000434355029 851025570 /nfs/dbraw/zinc/02/55/70/851025570.db2.gz LQYSLUFIBPWVQX-PTUXOGIPSA-N 1 3 398.595 3.698 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000434355029 851025584 /nfs/dbraw/zinc/02/55/84/851025584.db2.gz LQYSLUFIBPWVQX-PTUXOGIPSA-N 1 3 398.595 3.698 20 0 GHADHO CC[NH+](CC)CCOc1ccc(-c2noc(C3CCN(C4CC4)CC3)n2)cc1 ZINC000515477814 851075526 /nfs/dbraw/zinc/07/55/26/851075526.db2.gz DTQISPISEHZFDR-UHFFFAOYSA-N 1 3 384.524 3.799 20 0 GHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000514214402 851397113 /nfs/dbraw/zinc/39/71/13/851397113.db2.gz MYMMQPGMNDRKNP-TZIWHRDSSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000514214402 851397120 /nfs/dbraw/zinc/39/71/20/851397120.db2.gz MYMMQPGMNDRKNP-TZIWHRDSSA-N 1 3 386.584 3.633 20 0 GHADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1)N1CCCCC1 ZINC000436313359 851447956 /nfs/dbraw/zinc/44/79/56/851447956.db2.gz LQPUGKUJWIZODC-OYTPZHDJSA-N 1 3 395.591 3.668 20 0 GHADHO CC(C)(C)OC(=O)N1CC([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C2CC2)C1 ZINC001167981631 852043329 /nfs/dbraw/zinc/04/33/29/852043329.db2.gz CGXZXUKHTDHQMP-OTYNDTSQSA-N 1 3 389.584 3.627 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C2(CC2)C1 ZINC001167982080 852056722 /nfs/dbraw/zinc/05/67/22/852056722.db2.gz VRKVYKHGSZYILZ-NXEWRWPSSA-N 1 3 389.584 3.771 20 0 GHADHO CC[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)N1CCc2ccccc2C1 ZINC000516384797 852498860 /nfs/dbraw/zinc/49/88/60/852498860.db2.gz HRDRSNIDFWSELR-DEOSSOPVSA-N 1 3 391.559 3.849 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)c2ccccc2C[NH+](C)C)N(C)C)cc1 ZINC000489944957 852687779 /nfs/dbraw/zinc/68/77/79/852687779.db2.gz HHASYZQCKCSMIJ-QFIPXVFZSA-N 1 3 383.536 3.568 20 0 GHADHO CCc1cccnc1[C@@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000507490844 852971832 /nfs/dbraw/zinc/97/18/32/852971832.db2.gz AOOPSLAYPZNZOQ-OAQYLSRUSA-N 1 3 380.580 3.893 20 0 GHADHO CN(c1ccccc1CN1CCC(Oc2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000507673565 853155039 /nfs/dbraw/zinc/15/50/39/853155039.db2.gz OVOPSFORFKYSHD-UHFFFAOYSA-N 1 3 394.563 3.655 20 0 GHADHO CC(C)c1cccc(NC(=O)CN2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506051732 853157990 /nfs/dbraw/zinc/15/79/90/853157990.db2.gz NKYOGDYYQOYLEN-UHFFFAOYSA-N 1 3 387.568 3.573 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000517103402 853381820 /nfs/dbraw/zinc/38/18/20/853381820.db2.gz BTBFOLAYYFGPJG-OALUTQOASA-N 1 3 390.597 3.545 20 0 GHADHO O=C(c1ccsc1)N1CCC[C@]2(CCN(C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168377051 853407036 /nfs/dbraw/zinc/40/70/36/853407036.db2.gz AKHPBYINEAQOHZ-JOCHJYFZSA-N 1 3 387.593 3.551 20 0 GHADHO CCC1(CC)CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000506527598 853455895 /nfs/dbraw/zinc/45/58/95/853455895.db2.gz ZLTNGKJBARNGQP-UHFFFAOYSA-N 1 3 398.595 3.833 20 0 GHADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCN(C2CCCC2)CC1 ZINC000519925853 853626429 /nfs/dbraw/zinc/62/64/29/853626429.db2.gz YKHANGHXICYNPY-UHFFFAOYSA-N 1 3 398.595 3.832 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520177972 853936100 /nfs/dbraw/zinc/93/61/00/853936100.db2.gz STUHCSMWHYZNHT-FQEVSTJZSA-N 1 3 381.520 3.608 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520177972 853936109 /nfs/dbraw/zinc/93/61/09/853936109.db2.gz STUHCSMWHYZNHT-FQEVSTJZSA-N 1 3 381.520 3.608 20 0 GHADHO CC(C)c1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc2n1 ZINC000050800885 854359424 /nfs/dbraw/zinc/35/94/24/854359424.db2.gz VREQAIYDOSORBB-UHFFFAOYSA-N 1 3 394.563 3.647 20 0 GHADHO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C1CCN(CC2CC2)CC1 ZINC001168390024 854839230 /nfs/dbraw/zinc/83/92/30/854839230.db2.gz DOVADJXDQUYREB-ZVDOUQERSA-N 1 3 375.601 3.656 20 0 GHADHO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C1CCN(CC2CC2)CC1 ZINC001168390024 854839233 /nfs/dbraw/zinc/83/92/33/854839233.db2.gz DOVADJXDQUYREB-ZVDOUQERSA-N 1 3 375.601 3.656 20 0 GHADHO COc1ccc([C@H]2C[C@H](N3CCC([NH3+])(c4ccc(OC)cc4)CC3)CCO2)cc1 ZINC001168621886 855150528 /nfs/dbraw/zinc/15/05/28/855150528.db2.gz AIRHHWHZSMHAHO-NFBKMPQASA-N 1 3 396.531 3.874 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120741 862669019 /nfs/dbraw/zinc/66/90/19/862669019.db2.gz FZULSTIVJQMBGP-LSDHHAIUSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120741 862669023 /nfs/dbraw/zinc/66/90/23/862669023.db2.gz FZULSTIVJQMBGP-LSDHHAIUSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120741 862669029 /nfs/dbraw/zinc/66/90/29/862669029.db2.gz FZULSTIVJQMBGP-LSDHHAIUSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120739 862669150 /nfs/dbraw/zinc/66/91/50/862669150.db2.gz FZULSTIVJQMBGP-GJZGRUSLSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120739 862669155 /nfs/dbraw/zinc/66/91/55/862669155.db2.gz FZULSTIVJQMBGP-GJZGRUSLSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120739 862669159 /nfs/dbraw/zinc/66/91/59/862669159.db2.gz FZULSTIVJQMBGP-GJZGRUSLSA-N 1 3 387.446 3.624 20 0 GHADHO CN(C)[C@@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000107834153 855564523 /nfs/dbraw/zinc/56/45/23/855564523.db2.gz IWVAYXFNNKECMI-QFIPXVFZSA-N 1 3 386.584 3.587 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121809 862732523 /nfs/dbraw/zinc/73/25/23/862732523.db2.gz LYUFFTGQUVOVSJ-ONTIZHBOSA-N 1 3 393.641 3.687 20 0 GHADHO CC(C)(C)N1CCC([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000181128223 862762455 /nfs/dbraw/zinc/76/24/55/862762455.db2.gz KGOCTARWVKIITI-UHFFFAOYSA-N 1 3 379.854 3.985 20 0 GHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(C(=O)OC(C)(C)C)CCOCC2)CC1 ZINC000592394448 856804222 /nfs/dbraw/zinc/80/42/22/856804222.db2.gz OLUZIJPWZXNJEN-ICSRJNTNSA-N 1 3 394.600 3.758 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCCCC(F)(F)C3)CC2)CC1 ZINC000573979616 856838600 /nfs/dbraw/zinc/83/86/00/856838600.db2.gz JUSXBPVGBMXQBG-QGZVFWFLSA-N 1 3 385.543 3.515 20 0 GHADHO Cn1nc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000674046668 862861934 /nfs/dbraw/zinc/86/19/34/862861934.db2.gz YOHJTXQEYHVSFO-UHFFFAOYSA-N 1 3 392.547 3.734 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccc(C)cc4C)C3)CC2)CC1 ZINC000574169317 857311566 /nfs/dbraw/zinc/31/15/66/857311566.db2.gz CHRRZNIFRKMCSC-QFIPXVFZSA-N 1 3 397.607 3.816 20 0 GHADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1Br ZINC000656678057 857480949 /nfs/dbraw/zinc/48/09/49/857480949.db2.gz QXBSWMXUBBAAIA-HNNXBMFYSA-N 1 3 381.358 3.991 20 0 GHADHO [NH3+]CCC[C@@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)c1ccccc1 ZINC000669483766 857504865 /nfs/dbraw/zinc/50/48/65/857504865.db2.gz LZLGWAOXIFQNKC-DHIUTWEWSA-N 1 3 394.563 3.993 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000675750158 857586763 /nfs/dbraw/zinc/58/67/63/857586763.db2.gz RQFHMAKENXYYNT-RTBURBONSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000675750158 857586768 /nfs/dbraw/zinc/58/67/68/857586768.db2.gz RQFHMAKENXYYNT-RTBURBONSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786985 857613355 /nfs/dbraw/zinc/61/33/55/857613355.db2.gz PEGHMNNOBWSPRI-PZJWPPBQSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786985 857613356 /nfs/dbraw/zinc/61/33/56/857613356.db2.gz PEGHMNNOBWSPRI-PZJWPPBQSA-N 1 3 375.520 3.830 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000486708508 858012669 /nfs/dbraw/zinc/01/26/69/858012669.db2.gz JZPCPSAMUFXBBF-LADGPHEKSA-N 1 3 391.559 3.875 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000486708508 858012678 /nfs/dbraw/zinc/01/26/78/858012678.db2.gz JZPCPSAMUFXBBF-LADGPHEKSA-N 1 3 391.559 3.875 20 0 GHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000442859584 858180491 /nfs/dbraw/zinc/18/04/91/858180491.db2.gz ANWRGXCAWUSLLO-GJZGRUSLSA-N 1 3 388.383 3.765 20 0 GHADHO CN1CCN(CC[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1(C)C ZINC000442869561 858186979 /nfs/dbraw/zinc/18/69/79/858186979.db2.gz DPVOLEWPUVUCJG-JOCHJYFZSA-N 1 3 387.518 3.864 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1(C)C ZINC000442876150 858191200 /nfs/dbraw/zinc/19/12/00/858191200.db2.gz PIKQUHVNUPHMPV-MJGOQNOKSA-N 1 3 383.502 3.957 20 0 GHADHO COc1cc(Cl)ccc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000482714112 858786912 /nfs/dbraw/zinc/78/69/12/858786912.db2.gz BZJIWAUKOGWXRM-UHFFFAOYSA-N 1 3 394.003 3.977 20 0 GHADHO CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001126943866 858922029 /nfs/dbraw/zinc/92/20/29/858922029.db2.gz IVVUSTBCTKKCPK-BJKOFHAPSA-N 1 3 391.559 3.632 20 0 GHADHO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001126943866 858922033 /nfs/dbraw/zinc/92/20/33/858922033.db2.gz IVVUSTBCTKKCPK-BJKOFHAPSA-N 1 3 391.559 3.632 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCN1Cc1ccccc1 ZINC000466301953 859058451 /nfs/dbraw/zinc/05/84/51/859058451.db2.gz ZIXZUIRTUNSBJL-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCN1Cc1ccccc1 ZINC000466301953 859058460 /nfs/dbraw/zinc/05/84/60/859058460.db2.gz ZIXZUIRTUNSBJL-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO CC(C)N(C)c1ccc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000483297470 859278220 /nfs/dbraw/zinc/27/82/20/859278220.db2.gz PQPWGEDJIQIGCK-WOJBJXKFSA-N 1 3 388.600 3.638 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735922 859575328 /nfs/dbraw/zinc/57/53/28/859575328.db2.gz YXHKACWOMRZXOZ-RDPSFJRHSA-N 1 3 377.576 3.586 20 0 GHADHO O=C(C1CC[NH+](C2CC2)CC1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000194694143 859644648 /nfs/dbraw/zinc/64/46/48/859644648.db2.gz WSSZMCPLFODETM-UHFFFAOYSA-N 1 3 395.591 3.908 20 0 GHADHO CC[C@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)c1ccc2c(c1)CCO2 ZINC000765010704 859735917 /nfs/dbraw/zinc/73/59/17/859735917.db2.gz QTYNQMZCYMDXSP-DEOSSOPVSA-N 1 3 393.575 4.000 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000466501840 859759600 /nfs/dbraw/zinc/75/96/00/859759600.db2.gz GIAWLRSNKRONHR-IFMALSPDSA-N 1 3 386.584 3.605 20 0 GHADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390509 859887009 /nfs/dbraw/zinc/88/70/09/859887009.db2.gz NJQNSFPUUNBERD-YXPKMTABSA-N 1 3 399.510 3.582 20 0 GHADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390509 859887019 /nfs/dbraw/zinc/88/70/19/859887019.db2.gz NJQNSFPUUNBERD-YXPKMTABSA-N 1 3 399.510 3.582 20 0 GHADHO CC1CCN([C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)c2cccs2)CC1 ZINC000727067150 859914240 /nfs/dbraw/zinc/91/42/40/859914240.db2.gz WMSQDWGVWHMBDM-KRWDZBQOSA-N 1 3 396.670 3.573 20 0 GHADHO C[C@@H]1CC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168033718 859982718 /nfs/dbraw/zinc/98/27/18/859982718.db2.gz NIFHXASIJGTCTL-QVHJCDIPSA-N 1 3 385.596 3.661 20 0 GHADHO C[C@H]1CC([NH2+]Cc2ccc3c(c2)N(C)C(=O)CO3)C[C@H](C)N1Cc1ccccc1 ZINC001168034921 860066085 /nfs/dbraw/zinc/06/60/85/860066085.db2.gz RNXMWJIABSDENF-ROUUACIJSA-N 1 3 393.531 3.573 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CNCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000727465761 860104067 /nfs/dbraw/zinc/10/40/67/860104067.db2.gz RQDHQZAADAXOEY-QFIPXVFZSA-N 1 3 384.520 3.513 20 0 GHADHO CC(C)[NH+]1CCC(N(C)C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000097099908 860143961 /nfs/dbraw/zinc/14/39/61/860143961.db2.gz CVTGWQYMFLXRTI-FQEVSTJZSA-N 1 3 379.548 3.960 20 0 GHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000474468071 860149666 /nfs/dbraw/zinc/14/96/66/860149666.db2.gz HBIFMOXQCHIVQE-VQTJNVASSA-N 1 3 381.564 3.724 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698905 860418896 /nfs/dbraw/zinc/41/88/96/860418896.db2.gz VEQJFFJWYWQIMV-FGSXEWAUSA-N 1 3 377.532 3.909 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698905 860418899 /nfs/dbraw/zinc/41/88/99/860418899.db2.gz VEQJFFJWYWQIMV-FGSXEWAUSA-N 1 3 377.532 3.909 20 0 GHADHO COC[C@H](CC1CCOCC1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000657882299 860455834 /nfs/dbraw/zinc/45/58/34/860455834.db2.gz SHKXTWJELMLCNV-NRFANRHFSA-N 1 3 394.987 3.973 20 0 GHADHO Clc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c(-n2cncn2)c1 ZINC000474734403 860692171 /nfs/dbraw/zinc/69/21/71/860692171.db2.gz SOPSUUSXXHQBKQ-LJQANCHMSA-N 1 3 395.938 3.575 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869217 860803551 /nfs/dbraw/zinc/80/35/51/860803551.db2.gz LIJDBBVTIRWWPS-CNNODRBYSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869217 860803554 /nfs/dbraw/zinc/80/35/54/860803554.db2.gz LIJDBBVTIRWWPS-CNNODRBYSA-N 1 3 375.520 3.971 20 0 GHADHO Cc1ccc(C)c([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000532231484 881583077 /nfs/dbraw/zinc/58/30/77/881583077.db2.gz VVCSYZAXKRMXQZ-SIKLNZKXSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1ccc(C)c([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000532231484 881583097 /nfs/dbraw/zinc/58/30/97/881583097.db2.gz VVCSYZAXKRMXQZ-SIKLNZKXSA-N 1 3 379.548 3.852 20 0 GHADHO Cn1c2ccc(CNC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000192590794 860883189 /nfs/dbraw/zinc/88/31/89/860883189.db2.gz FAYRPRPXFZFBLL-KXBFYZLASA-N 1 3 387.574 3.834 20 0 GHADHO Cn1c2ccc(CNC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000192590794 860883204 /nfs/dbraw/zinc/88/32/04/860883204.db2.gz FAYRPRPXFZFBLL-KXBFYZLASA-N 1 3 387.574 3.834 20 0 GHADHO C[NH+](C)CCOC1CCN(Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000537628777 881605878 /nfs/dbraw/zinc/60/58/78/881605878.db2.gz AFQKSPYNWRZCLA-UHFFFAOYSA-N 1 3 378.463 3.984 20 0 GHADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446046 861076658 /nfs/dbraw/zinc/07/66/58/861076658.db2.gz OIXLOVBQEXJQMJ-KGLIPLIRSA-N 1 3 390.881 3.795 20 0 GHADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446046 861076667 /nfs/dbraw/zinc/07/66/67/861076667.db2.gz OIXLOVBQEXJQMJ-KGLIPLIRSA-N 1 3 390.881 3.795 20 0 GHADHO C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000158526726 863860446 /nfs/dbraw/zinc/86/04/46/863860446.db2.gz RCZNRXMZHLWBLP-AWEZNQCLSA-N 1 3 379.335 3.991 20 0 GHADHO OC1CC[NH+](Cc2ccc(CN[C@H]3CSCCc4ccccc43)cc2)CC1 ZINC000132779378 881715904 /nfs/dbraw/zinc/71/59/04/881715904.db2.gz MILDLVOFOZCBQD-QHCPKHFHSA-N 1 3 382.573 3.764 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480150675 864150233 /nfs/dbraw/zinc/15/02/33/864150233.db2.gz RXQUQMLFCFQHNH-QGZVFWFLSA-N 1 3 387.549 3.505 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475133772 864268392 /nfs/dbraw/zinc/26/83/92/864268392.db2.gz AWMDOFFNBXOGLA-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475133772 864268407 /nfs/dbraw/zinc/26/84/07/864268407.db2.gz AWMDOFFNBXOGLA-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000554443921 864356648 /nfs/dbraw/zinc/35/66/48/864356648.db2.gz VNRDMKILFJHVEC-YADHBBJMSA-N 1 3 398.526 3.565 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414926205 864541333 /nfs/dbraw/zinc/54/13/33/864541333.db2.gz MYTRSLWPNSPMPV-GRYCIOLGSA-N 1 3 377.838 3.935 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)CC1 ZINC000480462693 864698844 /nfs/dbraw/zinc/69/88/44/864698844.db2.gz CVNJJOQEDSUGAL-BWKNWUBXSA-N 1 3 395.591 3.548 20 0 GHADHO FC(F)(F)c1ccc(CN2CC[C@H]([NH2+]C3CCN(CC4CC4)CC3)C2)cc1 ZINC000169097686 865057882 /nfs/dbraw/zinc/05/78/82/865057882.db2.gz RBPRHWWELLJFQN-FQEVSTJZSA-N 1 3 381.486 3.744 20 0 GHADHO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000738312777 865528651 /nfs/dbraw/zinc/52/86/51/865528651.db2.gz CBAUIOUKPSIPCV-UGKGYDQZSA-N 1 3 386.584 3.668 20 0 GHADHO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000738312777 865528657 /nfs/dbraw/zinc/52/86/57/865528657.db2.gz CBAUIOUKPSIPCV-UGKGYDQZSA-N 1 3 386.584 3.668 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)N(C)C)cc1 ZINC000608656184 865561812 /nfs/dbraw/zinc/56/18/12/865561812.db2.gz PQUFNFGUNUOPNI-DHIUTWEWSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)N(C)C)cc1 ZINC000608656184 865561823 /nfs/dbraw/zinc/56/18/23/865561823.db2.gz PQUFNFGUNUOPNI-DHIUTWEWSA-N 1 3 394.563 3.514 20 0 GHADHO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCN(C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000533984868 865700741 /nfs/dbraw/zinc/70/07/41/865700741.db2.gz AKIFSAMSWDFTBQ-ZSTXGWIISA-N 1 3 398.595 3.774 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001170424433 881898450 /nfs/dbraw/zinc/89/84/50/881898450.db2.gz KQYVZCJNNFRDAG-NRFANRHFSA-N 1 3 381.520 3.633 20 0 GHADHO CCN1CCN(c2ccc(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)cc2)CC1 ZINC000456272762 866341377 /nfs/dbraw/zinc/34/13/77/866341377.db2.gz LKNARUYDNPUJMH-QHCPKHFHSA-N 1 3 392.547 3.630 20 0 GHADHO CC[C@@H](C(=O)Nc1cc(NC(=O)[C@H](CC)[NH+](C)C)cc(C(C)(C)C)c1)N(C)C ZINC000456306383 866354465 /nfs/dbraw/zinc/35/44/65/866354465.db2.gz MUFBLCMWNLZQAM-OALUTQOASA-N 1 3 390.572 3.542 20 0 GHADHO C[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000153647849 867002429 /nfs/dbraw/zinc/00/24/29/867002429.db2.gz GFAJZBNXHBBCPO-QGZVFWFLSA-N 1 3 382.483 3.803 20 0 GHADHO CN1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@@H]1c1ccccc1 ZINC000857165784 882071966 /nfs/dbraw/zinc/07/19/66/882071966.db2.gz ZKYQKOJNRIZBHV-ZRBLBEILSA-N 1 3 377.532 3.671 20 0 GHADHO CN1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@@H]1c1ccccc1 ZINC000857165784 882071985 /nfs/dbraw/zinc/07/19/85/882071985.db2.gz ZKYQKOJNRIZBHV-ZRBLBEILSA-N 1 3 377.532 3.671 20 0 GHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000534721392 867366969 /nfs/dbraw/zinc/36/69/69/867366969.db2.gz GJKUOWSQXHZOQV-DHIUTWEWSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000534721398 867367015 /nfs/dbraw/zinc/36/70/15/867367015.db2.gz GJKUOWSQXHZOQV-GOTSBHOMSA-N 1 3 394.563 3.514 20 0 GHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000479266600 867460653 /nfs/dbraw/zinc/46/06/53/867460653.db2.gz OYVDPZHNOFXEMB-ZACQAIPSSA-N 1 3 383.374 3.859 20 0 GHADHO C[C@H](NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@H](c1ccccc1)N(C)C ZINC000857182792 882094380 /nfs/dbraw/zinc/09/43/80/882094380.db2.gz OWDAXMHAKCNUEG-OFAXGOBFSA-N 1 3 379.548 3.917 20 0 GHADHO C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@H](c1ccccc1)N(C)C ZINC000857182792 882094398 /nfs/dbraw/zinc/09/43/98/882094398.db2.gz OWDAXMHAKCNUEG-OFAXGOBFSA-N 1 3 379.548 3.917 20 0 GHADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000479342224 867625800 /nfs/dbraw/zinc/62/58/00/867625800.db2.gz AKTYVKPEJBLZRL-QHCPKHFHSA-N 1 3 390.531 3.980 20 0 GHADHO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000479451744 867781570 /nfs/dbraw/zinc/78/15/70/867781570.db2.gz XUZBOFGZGQZTCS-YLJYHZDGSA-N 1 3 381.520 3.826 20 0 GHADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000479465751 867810358 /nfs/dbraw/zinc/81/03/58/867810358.db2.gz PLQSTKSFEBJEOD-QQKQFIJSSA-N 1 3 393.575 3.560 20 0 GHADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000479465751 867810369 /nfs/dbraw/zinc/81/03/69/867810369.db2.gz PLQSTKSFEBJEOD-QQKQFIJSSA-N 1 3 393.575 3.560 20 0 GHADHO CC(=O)NCCc1ccc([C@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444948 867813544 /nfs/dbraw/zinc/81/35/44/867813544.db2.gz KNFHDBFVWQWWJQ-CVDCTZTESA-N 1 3 379.548 3.538 20 0 GHADHO CC(=O)NCCc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444948 867813559 /nfs/dbraw/zinc/81/35/59/867813559.db2.gz KNFHDBFVWQWWJQ-CVDCTZTESA-N 1 3 379.548 3.538 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000155566925 867950025 /nfs/dbraw/zinc/95/00/25/867950025.db2.gz HQYYGIQJHRSKOI-IAGOWNOFSA-N 1 3 389.975 3.511 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)c1ccco1 ZINC000857256470 882147649 /nfs/dbraw/zinc/14/76/49/882147649.db2.gz JBJFBAHOUAMUAG-YYWHXJBOSA-N 1 3 383.536 3.948 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857256470 882147652 /nfs/dbraw/zinc/14/76/52/882147652.db2.gz JBJFBAHOUAMUAG-YYWHXJBOSA-N 1 3 383.536 3.948 20 0 GHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCC2 ZINC000156905621 868497547 /nfs/dbraw/zinc/49/75/47/868497547.db2.gz PRZDRFJFDVAGGD-UUOWRZLLSA-N 1 3 391.559 3.723 20 0 GHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCC2 ZINC000156905621 868497552 /nfs/dbraw/zinc/49/75/52/868497552.db2.gz PRZDRFJFDVAGGD-UUOWRZLLSA-N 1 3 391.559 3.723 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccco1 ZINC000479790045 868528676 /nfs/dbraw/zinc/52/86/76/868528676.db2.gz QNOWVJPBDTVABP-JBACZVJFSA-N 1 3 398.551 3.845 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000479886392 868683617 /nfs/dbraw/zinc/68/36/17/868683617.db2.gz GXFOXAIKSLIBDB-OFVILXPXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000479886392 868683619 /nfs/dbraw/zinc/68/36/19/868683619.db2.gz GXFOXAIKSLIBDB-OFVILXPXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000479886392 868683621 /nfs/dbraw/zinc/68/36/21/868683621.db2.gz GXFOXAIKSLIBDB-OFVILXPXSA-N 1 3 393.575 3.519 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000524515256 869193525 /nfs/dbraw/zinc/19/35/25/869193525.db2.gz MOIRDWSAYZROBH-OAQYLSRUSA-N 1 3 388.600 3.723 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000524515256 869193530 /nfs/dbraw/zinc/19/35/30/869193530.db2.gz MOIRDWSAYZROBH-OAQYLSRUSA-N 1 3 388.600 3.723 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446573302 870024823 /nfs/dbraw/zinc/02/48/23/870024823.db2.gz VYSTXARERKEUHQ-RXVVDRJESA-N 1 3 380.536 3.748 20 0 GHADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043232 870291511 /nfs/dbraw/zinc/29/15/11/870291511.db2.gz SBRWQNRADNEVIJ-WOIUINJBSA-N 1 3 386.584 3.703 20 0 GHADHO C[C@@H](NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000248393078 870363350 /nfs/dbraw/zinc/36/33/50/870363350.db2.gz GEODHGKCLBBAIM-ZSTWQFLISA-N 1 3 379.548 3.610 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1N(C)C ZINC000248434011 870413865 /nfs/dbraw/zinc/41/38/65/870413865.db2.gz DPSXHSLUIMJRME-UWJYYQICSA-N 1 3 385.527 3.699 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1N(C)C ZINC000248434011 870413872 /nfs/dbraw/zinc/41/38/72/870413872.db2.gz DPSXHSLUIMJRME-UWJYYQICSA-N 1 3 385.527 3.699 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248462748 870440588 /nfs/dbraw/zinc/44/05/88/870440588.db2.gz YMBPVGNTGDTJPY-FCHUYYIVSA-N 1 3 396.531 3.655 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248462748 870440594 /nfs/dbraw/zinc/44/05/94/870440594.db2.gz YMBPVGNTGDTJPY-FCHUYYIVSA-N 1 3 396.531 3.655 20 0 GHADHO O[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC[C@@H](C(F)(F)F)C1 ZINC000249178326 870780470 /nfs/dbraw/zinc/78/04/70/870780470.db2.gz GMSYOALLPRZNEH-PFAUGDHASA-N 1 3 396.497 3.970 20 0 GHADHO Cc1ccc(C)c([C@H](C)N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000508579947 870799332 /nfs/dbraw/zinc/79/93/32/870799332.db2.gz DBQCCYNJSXJKEY-IBGZPJMESA-N 1 3 386.584 3.564 20 0 GHADHO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC000090028206 871087962 /nfs/dbraw/zinc/08/79/62/871087962.db2.gz IMZDQFFRWZHWKF-FQEVSTJZSA-N 1 3 379.548 3.980 20 0 GHADHO C[C@@H](c1cccc(Cl)c1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130700443 871104010 /nfs/dbraw/zinc/10/40/10/871104010.db2.gz UGPBKYRAWQVNQA-INIZCTEOSA-N 1 3 379.976 3.817 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000539073565 871262780 /nfs/dbraw/zinc/26/27/80/871262780.db2.gz NWIICWNLBBEOLY-JOCHJYFZSA-N 1 3 397.950 3.943 20 0 GHADHO CN(C)[C@@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccccc1 ZINC000540466636 871331695 /nfs/dbraw/zinc/33/16/95/871331695.db2.gz MCLUDCTWMVDBES-YADHBBJMSA-N 1 3 379.548 3.867 20 0 GHADHO CCN(CC)C(=O)C[C@H](C)N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001169450704 871512070 /nfs/dbraw/zinc/51/20/70/871512070.db2.gz BNVYZGJNQFTILP-INIZCTEOSA-N 1 3 399.501 3.688 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001169508783 871574247 /nfs/dbraw/zinc/57/42/47/871574247.db2.gz RMZGWSYHFMYRSB-NHTMILBNSA-N 1 3 383.580 3.622 20 0 GHADHO COC(=O)c1coc([C@@H](C)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000447541381 871810892 /nfs/dbraw/zinc/81/08/92/871810892.db2.gz GEUKSOXORJNYJG-LJQANCHMSA-N 1 3 399.535 3.628 20 0 GHADHO COC(=O)c1coc([C@@H](C)[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000447541381 871810905 /nfs/dbraw/zinc/81/09/05/871810905.db2.gz GEUKSOXORJNYJG-LJQANCHMSA-N 1 3 399.535 3.628 20 0 GHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627072 872084909 /nfs/dbraw/zinc/08/49/09/872084909.db2.gz KYZBIHDCOIIMMU-UWJYYQICSA-N 1 3 390.531 3.716 20 0 GHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627072 872084933 /nfs/dbraw/zinc/08/49/33/872084933.db2.gz KYZBIHDCOIIMMU-UWJYYQICSA-N 1 3 390.531 3.716 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000477924778 872154172 /nfs/dbraw/zinc/15/41/72/872154172.db2.gz GYPFBOLQCPXCIE-RADWXHQJSA-N 1 3 380.523 3.749 20 0 GHADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477919989 872181885 /nfs/dbraw/zinc/18/18/85/872181885.db2.gz SDJLWLBLBUIOAY-GOSISDBHSA-N 1 3 385.552 3.553 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(C2CCCC2)nc1C ZINC000463618060 872192273 /nfs/dbraw/zinc/19/22/73/872192273.db2.gz KIKMAMVVMXZLEO-SFHVURJKSA-N 1 3 392.613 3.597 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000526985835 872419805 /nfs/dbraw/zinc/41/98/05/872419805.db2.gz DDMJEYLZFYPATI-APWZRJJASA-N 1 3 381.545 3.600 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000619363354 872577283 /nfs/dbraw/zinc/57/72/83/872577283.db2.gz ZWXZHEYTJNGAJO-YQVWRLOYSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000619363354 872577287 /nfs/dbraw/zinc/57/72/87/872577287.db2.gz ZWXZHEYTJNGAJO-YQVWRLOYSA-N 1 3 380.602 3.551 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2)cc1CN1CCCCC1 ZINC000182664670 872655070 /nfs/dbraw/zinc/65/50/70/872655070.db2.gz IYMRIVZBUFHKSB-IBGZPJMESA-N 1 3 395.547 3.762 20 0 GHADHO OC1(CNCc2ccsc2C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000527720224 873528132 /nfs/dbraw/zinc/52/81/32/873528132.db2.gz ICGCPJRHNNUVLO-UHFFFAOYSA-N 1 3 384.467 3.884 20 0 GHADHO CC[NH+](CC)Cc1cccc(CN[C@@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000541545833 873807557 /nfs/dbraw/zinc/80/75/57/873807557.db2.gz LWGUYKFVIAYPDJ-VWLOTQADSA-N 1 3 395.591 4.000 20 0 GHADHO Cc1cccc(C2(O)CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)c1C ZINC000769496861 874102681 /nfs/dbraw/zinc/10/26/81/874102681.db2.gz NLMABKSFEZZFNV-UHFFFAOYSA-N 1 3 382.548 3.727 20 0 GHADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464650980 874235424 /nfs/dbraw/zinc/23/54/24/874235424.db2.gz PKMXWNKYJJPOJI-NFBKMPQASA-N 1 3 385.596 3.520 20 0 GHADHO CC[C@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541768458 874261790 /nfs/dbraw/zinc/26/17/90/874261790.db2.gz PWHCVRVKZZMHJA-JQVVWYNYSA-N 1 3 384.568 3.670 20 0 GHADHO CC[C@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541768458 874261800 /nfs/dbraw/zinc/26/18/00/874261800.db2.gz PWHCVRVKZZMHJA-JQVVWYNYSA-N 1 3 384.568 3.670 20 0 GHADHO Cn1cc(CNC2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc(F)cc2)n1 ZINC000449061054 874398985 /nfs/dbraw/zinc/39/89/85/874398985.db2.gz HLDNAIANCUVOJF-UHFFFAOYSA-N 1 3 378.495 3.980 20 0 GHADHO C[C@@H](CNCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449093583 874495761 /nfs/dbraw/zinc/49/57/61/874495761.db2.gz PCUKQHYJXHGXRO-KURKYZTESA-N 1 3 380.598 3.540 20 0 GHADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839160 874578349 /nfs/dbraw/zinc/57/83/49/874578349.db2.gz PEQWCPJHLHGDLE-GOSISDBHSA-N 1 3 387.474 3.747 20 0 GHADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464839160 874578358 /nfs/dbraw/zinc/57/83/58/874578358.db2.gz PEQWCPJHLHGDLE-GOSISDBHSA-N 1 3 387.474 3.747 20 0 GHADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502770 874965780 /nfs/dbraw/zinc/96/57/80/874965780.db2.gz PAPNFJCLUQKXRD-QFIPXVFZSA-N 1 3 379.548 3.606 20 0 GHADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502770 874965786 /nfs/dbraw/zinc/96/57/86/874965786.db2.gz PAPNFJCLUQKXRD-QFIPXVFZSA-N 1 3 379.548 3.606 20 0 GHADHO CCc1oc2ccccc2c1CN1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449511093 874976627 /nfs/dbraw/zinc/97/66/27/874976627.db2.gz YGUWXUKKDSRFLJ-HXUWFJFHSA-N 1 3 397.563 3.761 20 0 GHADHO CCc1oc2ccccc2c1CN1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449511093 874976640 /nfs/dbraw/zinc/97/66/40/874976640.db2.gz YGUWXUKKDSRFLJ-HXUWFJFHSA-N 1 3 397.563 3.761 20 0 GHADHO Cc1ccc(N2CC[C@@H](N(C)CCC3CCN(c4cc[nH+]cc4)CC3)C2=O)cc1 ZINC000771451364 875252865 /nfs/dbraw/zinc/25/28/65/875252865.db2.gz CGZRDLXLMQAUGM-HSZRJFAPSA-N 1 3 392.547 3.734 20 0 GHADHO Cc1cc(CNCC2CC[NH+](C3CCOCC3)CC2)c(Br)cc1F ZINC000858186941 882920399 /nfs/dbraw/zinc/92/03/99/882920399.db2.gz FXCUTJAEABRSTR-UHFFFAOYSA-N 1 3 399.348 3.877 20 0 GHADHO C[C@H]1C[C@H](CCNCc2cnnn2Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000491345790 875622964 /nfs/dbraw/zinc/62/29/64/875622964.db2.gz JKWAMEPERHISFU-REWPJTCUSA-N 1 3 389.547 3.717 20 0 GHADHO C[C@H]1C[C@H](CCNCc2cnnn2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000491345790 875622971 /nfs/dbraw/zinc/62/29/71/875622971.db2.gz JKWAMEPERHISFU-REWPJTCUSA-N 1 3 389.547 3.717 20 0 GHADHO CC(C)N1CCN(CCC[NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000192765377 883012255 /nfs/dbraw/zinc/01/22/55/883012255.db2.gz YLUFGZZNLGSCDA-UHFFFAOYSA-N 1 3 394.401 3.834 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3cccc4ccccc43)c2)C1 ZINC000108420992 876466577 /nfs/dbraw/zinc/46/65/77/876466577.db2.gz MLQDRZOVJQKBCL-HSZRJFAPSA-N 1 3 387.527 3.827 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc4ccccc43)c2)C1 ZINC000108420992 876466586 /nfs/dbraw/zinc/46/65/86/876466586.db2.gz MLQDRZOVJQKBCL-HSZRJFAPSA-N 1 3 387.527 3.827 20 0 GHADHO Clc1cc(CN2CC[C@@]3(CCOC3)C2)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000450488571 876514301 /nfs/dbraw/zinc/51/43/01/876514301.db2.gz XYMCBTHJBPGKSU-FGZHOGPDSA-N 1 3 390.955 3.565 20 0 GHADHO Clc1cc(CN2CC[C@@]3(CCOC3)C2)cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000450488571 876514313 /nfs/dbraw/zinc/51/43/13/876514313.db2.gz XYMCBTHJBPGKSU-FGZHOGPDSA-N 1 3 390.955 3.565 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)ccc1OC ZINC000850561930 877028284 /nfs/dbraw/zinc/02/82/84/877028284.db2.gz LROXQAHJWIIAAJ-FDDCHVKYSA-N 1 3 392.584 3.755 20 0 GHADHO Cc1cccc(N2CCN(CCC(=O)Nc3ccc(C)cc3C[NH+](C)C)CC2)c1 ZINC000174721383 877203509 /nfs/dbraw/zinc/20/35/09/877203509.db2.gz SDSCGHBMLNCQQZ-UHFFFAOYSA-N 1 3 394.563 3.516 20 0 GHADHO COc1cc(OC)c(C2CCN([C@H](C)c3ccc(C[NH3+])nc3C)CC2)c(OC)c1 ZINC000530210336 877300965 /nfs/dbraw/zinc/30/09/65/877300965.db2.gz JSMFLEBBYOXSOY-MRXNPFEDSA-N 1 3 399.535 3.815 20 0 GHADHO CC[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)c1 ZINC000451276213 877698403 /nfs/dbraw/zinc/69/84/03/877698403.db2.gz ZWSAFZGXVWTHIF-BLKABHOGSA-N 1 3 394.987 3.526 20 0 GHADHO CC[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](CO)[C@@H]2CC)c1 ZINC000451276213 877698406 /nfs/dbraw/zinc/69/84/06/877698406.db2.gz ZWSAFZGXVWTHIF-BLKABHOGSA-N 1 3 394.987 3.526 20 0 GHADHO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(CN2CC[C@@H](CO)[C@@H]2CC)c1 ZINC000451276213 877698409 /nfs/dbraw/zinc/69/84/09/877698409.db2.gz ZWSAFZGXVWTHIF-BLKABHOGSA-N 1 3 394.987 3.526 20 0 GHADHO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(CN2CC[C@@H](CO)[C@@H]2CC)c1 ZINC000451276213 877698413 /nfs/dbraw/zinc/69/84/13/877698413.db2.gz ZWSAFZGXVWTHIF-BLKABHOGSA-N 1 3 394.987 3.526 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000551778896 877794834 /nfs/dbraw/zinc/79/48/34/877794834.db2.gz JJRNXRUKUCYEPP-RTBURBONSA-N 1 3 383.502 3.957 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000615621124 877928393 /nfs/dbraw/zinc/92/83/93/877928393.db2.gz KBLTYZUEVTYAPI-QFIPXVFZSA-N 1 3 388.600 3.614 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000615621124 877928395 /nfs/dbraw/zinc/92/83/95/877928395.db2.gz KBLTYZUEVTYAPI-QFIPXVFZSA-N 1 3 388.600 3.614 20 0 GHADHO Clc1ccc2c(n1)[C@@H]([NH2+]CCCCN1CCN(Cc3ccccc3)CC1)CC2 ZINC000788544431 878140299 /nfs/dbraw/zinc/14/02/99/878140299.db2.gz DKMGXEZLAZKRFX-NRFANRHFSA-N 1 3 398.982 3.910 20 0 GHADHO COC[C@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)[C@@H]1CCCO1 ZINC000788620217 878214977 /nfs/dbraw/zinc/21/49/77/878214977.db2.gz VQXGIPWQLVMSMZ-AGHHOFFYSA-N 1 3 376.541 3.526 20 0 GHADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000177449054 878708065 /nfs/dbraw/zinc/70/80/65/878708065.db2.gz FPOOHNFILMLDRT-IBGZPJMESA-N 1 3 387.543 3.561 20 0 GHADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1cccc(C[NH+](C)C)c1 ZINC000530904389 878721177 /nfs/dbraw/zinc/72/11/77/878721177.db2.gz VCKQOUYSWWQETD-UHFFFAOYSA-N 1 3 382.460 3.579 20 0 GHADHO O[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1c(F)cccc1F ZINC000853120252 878827808 /nfs/dbraw/zinc/82/78/08/878827808.db2.gz JBOBUOLLEPZCHP-GHTZIAJQSA-N 1 3 386.486 3.890 20 0 GHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000667054183 878955374 /nfs/dbraw/zinc/95/53/74/878955374.db2.gz UCRRZDAAIARPNB-UNMCSNQZSA-N 1 3 396.579 3.888 20 0 GHADHO C[NH+]1CCC(CCNCc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000111384073 879080194 /nfs/dbraw/zinc/08/01/94/879080194.db2.gz JUJQDQHRRCWMOH-UHFFFAOYSA-N 1 3 377.330 3.661 20 0 GHADHO CC(C)c1ccc(CN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C(C)C)c1 ZINC000643085345 912453804 /nfs/dbraw/zinc/45/38/04/912453804.db2.gz MZKDIIQNLJPXPH-XZOQPEGZSA-N 1 3 398.595 3.654 20 0 GHADHO O[C@H](Cc1ccccc1C(F)(F)F)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246529236 879659233 /nfs/dbraw/zinc/65/92/33/879659233.db2.gz CMHBTXRGZRXHQG-POAQFYNOSA-N 1 3 382.470 3.558 20 0 GHADHO O[C@H](Cc1ccccc1C(F)(F)F)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246529236 879659242 /nfs/dbraw/zinc/65/92/42/879659242.db2.gz CMHBTXRGZRXHQG-POAQFYNOSA-N 1 3 382.470 3.558 20 0 GHADHO Cc1cccc(C)c1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000531406066 879772121 /nfs/dbraw/zinc/77/21/21/879772121.db2.gz DIIQLEMOMVOHRZ-UHFFFAOYSA-N 1 3 393.575 3.764 20 0 GHADHO O[C@H](COc1cccc2ccccc21)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246823245 879816785 /nfs/dbraw/zinc/81/67/85/879816785.db2.gz NUZSFZAKEHMJLG-NWSQWKLXSA-N 1 3 380.532 3.528 20 0 GHADHO O[C@H](COc1cccc2ccccc21)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246823245 879816793 /nfs/dbraw/zinc/81/67/93/879816793.db2.gz NUZSFZAKEHMJLG-NWSQWKLXSA-N 1 3 380.532 3.528 20 0 GHADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c2c(F)cccc2Cl)CCO1 ZINC000246982120 879871828 /nfs/dbraw/zinc/87/18/28/879871828.db2.gz JTQVFMMHSYZXAC-KMJHBWPFSA-N 1 3 397.966 3.559 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000247006956 879881616 /nfs/dbraw/zinc/88/16/16/879881616.db2.gz LXNMDFJQESTDGB-HZPDHXFCSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000247006956 879881629 /nfs/dbraw/zinc/88/16/29/879881629.db2.gz LXNMDFJQESTDGB-HZPDHXFCSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000247006956 879881639 /nfs/dbraw/zinc/88/16/39/879881639.db2.gz LXNMDFJQESTDGB-HZPDHXFCSA-N 1 3 396.373 3.876 20 0 GHADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182911185 880036081 /nfs/dbraw/zinc/03/60/81/880036081.db2.gz MMDSDPLKZBJRLW-IRLDBZIGSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182911185 880036098 /nfs/dbraw/zinc/03/60/98/880036098.db2.gz MMDSDPLKZBJRLW-IRLDBZIGSA-N 1 3 398.595 3.557 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000183155465 880064176 /nfs/dbraw/zinc/06/41/76/880064176.db2.gz GOZVEDZKEIETSS-AFXVXQJMSA-N 1 3 376.548 3.551 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000183155465 880064184 /nfs/dbraw/zinc/06/41/84/880064184.db2.gz GOZVEDZKEIETSS-AFXVXQJMSA-N 1 3 376.548 3.551 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000183155465 880064194 /nfs/dbraw/zinc/06/41/94/880064194.db2.gz GOZVEDZKEIETSS-AFXVXQJMSA-N 1 3 376.548 3.551 20 0 GHADHO C[C@H](NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000184750589 880373084 /nfs/dbraw/zinc/37/30/84/880373084.db2.gz GEODHGKCLBBAIM-UFYCRDLUSA-N 1 3 379.548 3.610 20 0 GHADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000186103106 880788031 /nfs/dbraw/zinc/78/80/31/880788031.db2.gz LYYHHNJXDICKHH-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(N4CCOCC4)CCCCC3)CC2)C1 ZINC000531947949 880807582 /nfs/dbraw/zinc/80/75/82/880807582.db2.gz SGBZOKGPXFDKKX-RBBKRZOGSA-N 1 3 377.617 3.654 20 0 GHADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000531964834 880829126 /nfs/dbraw/zinc/82/91/26/880829126.db2.gz VVHMCRXRIRDTAS-JQHSSLGASA-N 1 3 385.474 3.545 20 0 GHADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000531964834 880829133 /nfs/dbraw/zinc/82/91/33/880829133.db2.gz VVHMCRXRIRDTAS-JQHSSLGASA-N 1 3 385.474 3.545 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CCCN1CCCCC1)CC2 ZINC000792334476 881065639 /nfs/dbraw/zinc/06/56/39/881065639.db2.gz XQOGKYCTTNFGDX-UHFFFAOYSA-N 1 3 379.589 3.976 20 0 GHADHO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000537622336 881098660 /nfs/dbraw/zinc/09/86/60/881098660.db2.gz WNFMEUNLIUAUFF-YKSBVNFPSA-N 1 3 393.575 3.820 20 0 GHADHO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000537622336 881098678 /nfs/dbraw/zinc/09/86/78/881098678.db2.gz WNFMEUNLIUAUFF-YKSBVNFPSA-N 1 3 393.575 3.820 20 0 GHADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000429533470 881274098 /nfs/dbraw/zinc/27/40/98/881274098.db2.gz WTAGOTFAMUVDIE-UGKGYDQZSA-N 1 3 385.577 3.760 20 0 GHADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000429533470 881274115 /nfs/dbraw/zinc/27/41/15/881274115.db2.gz WTAGOTFAMUVDIE-UGKGYDQZSA-N 1 3 385.577 3.760 20 0 GHADHO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000476993462 883531739 /nfs/dbraw/zinc/53/17/39/883531739.db2.gz VJWFPNRUXOSMFM-XXBNENTESA-N 1 3 394.563 3.773 20 0 GHADHO Clc1ccccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911316 883671915 /nfs/dbraw/zinc/67/19/15/883671915.db2.gz QQHZBBFJHSLCML-QGZVFWFLSA-N 1 3 380.879 3.579 20 0 GHADHO Clc1ccccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911316 883671919 /nfs/dbraw/zinc/67/19/19/883671919.db2.gz QQHZBBFJHSLCML-QGZVFWFLSA-N 1 3 380.879 3.579 20 0 GHADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000477107091 883724291 /nfs/dbraw/zinc/72/42/91/883724291.db2.gz BXKDPKBZQGBXJN-ICSRJNTNSA-N 1 3 397.567 3.744 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)N(C)C)cc1 ZINC000465433749 883745653 /nfs/dbraw/zinc/74/56/53/883745653.db2.gz OCJSCYBTPOKWSP-FSSWDIPSSA-N 1 3 386.584 3.508 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)N(C)C)cc1 ZINC000465433749 883745667 /nfs/dbraw/zinc/74/56/67/883745667.db2.gz OCJSCYBTPOKWSP-FSSWDIPSSA-N 1 3 386.584 3.508 20 0 GHADHO Cc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c(F)c1F ZINC001211911930 883983852 /nfs/dbraw/zinc/98/38/52/883983852.db2.gz VKXPBXNUCGNTLC-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c(F)c1F ZINC001211911930 883983862 /nfs/dbraw/zinc/98/38/62/883983862.db2.gz VKXPBXNUCGNTLC-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)[C@@H](C)C1 ZINC000249463830 912846281 /nfs/dbraw/zinc/84/62/81/912846281.db2.gz RQVOOWSFPSEKTK-GHTZIAJQSA-N 1 3 386.536 3.636 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncc4ccc(F)cc4n3)c3ccccc23)CC1 ZINC001170523664 885422845 /nfs/dbraw/zinc/42/28/45/885422845.db2.gz ASFKMFSDNNIOIL-UHFFFAOYSA-N 1 3 389.478 3.678 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000807440850 885473238 /nfs/dbraw/zinc/47/32/38/885473238.db2.gz RTSVSZFINPDEJT-PXNSSMCTSA-N 1 3 386.540 3.612 20 0 GHADHO Cc1nc2ccccc2nc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170529164 885600992 /nfs/dbraw/zinc/60/09/92/885600992.db2.gz XGELLCXANXWLPN-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO CC(C)Oc1cccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000130179521 887572305 /nfs/dbraw/zinc/57/23/05/887572305.db2.gz YQOKQGVSVNPJLB-UHFFFAOYSA-N 1 3 395.547 3.589 20 0 GHADHO CCN(CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168500977 887580268 /nfs/dbraw/zinc/58/02/68/887580268.db2.gz LMMFRDCBYYKNKJ-HUUCEWRRSA-N 1 3 381.483 3.638 20 0 GHADHO [NH3+]CCc1ccccc1NC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001170595222 888121585 /nfs/dbraw/zinc/12/15/85/888121585.db2.gz IFTIYFYRPAIUGJ-XMMPIXPASA-N 1 3 389.543 3.663 20 0 GHADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(CCC[NH+](C)C)CC1 ZINC000123537562 889323622 /nfs/dbraw/zinc/32/36/22/889323622.db2.gz IADBXPGYRGAGJA-SZYSYYJISA-N 1 3 375.601 3.514 20 0 GHADHO C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCN1Cc1ccccc1 ZINC000868184309 889340417 /nfs/dbraw/zinc/34/04/17/889340417.db2.gz MNDRQJIOLRRVSJ-BULFRSBZSA-N 1 3 378.520 3.630 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)N2CCCC2)cc1 ZINC000125275351 889934843 /nfs/dbraw/zinc/93/48/43/889934843.db2.gz UUTYWRAGHUJUFL-KITAHSCOSA-N 1 3 386.584 3.552 20 0 GHADHO Fc1cccc2c(CN3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c[nH]c21 ZINC001137054192 890561080 /nfs/dbraw/zinc/56/10/80/890561080.db2.gz OKFPPVUFXCZEOX-UHFFFAOYSA-N 1 3 381.499 3.548 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000065891116 890742010 /nfs/dbraw/zinc/74/20/10/890742010.db2.gz UEZGURWCAFQCGK-KRWDZBQOSA-N 1 3 389.490 3.873 20 0 GHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001170681533 890791023 /nfs/dbraw/zinc/79/10/23/890791023.db2.gz HOEVQROWFDGCKN-KRWDZBQOSA-N 1 3 376.504 3.828 20 0 GHADHO C[C@H](C[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)CN1CCCCC1 ZINC000533549579 890863422 /nfs/dbraw/zinc/86/34/22/890863422.db2.gz RYFJPNWGOPMRGQ-AABGKKOBSA-N 1 3 397.563 3.696 20 0 GHADHO N[C@H](CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)Cc1ccccc1 ZINC000873236080 891538718 /nfs/dbraw/zinc/53/87/18/891538718.db2.gz XATJCRTXYHYERX-NHCUHLMSSA-N 1 3 381.520 3.590 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000128494933 892016341 /nfs/dbraw/zinc/01/63/41/892016341.db2.gz UVLCINNIIIPWBM-HNNXBMFYSA-N 1 3 381.948 3.776 20 0 GHADHO CN(Cc1cnc(-c2ccccc2F)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648586006 892333695 /nfs/dbraw/zinc/33/36/95/892333695.db2.gz KQJLWIACFKQGSI-KRWDZBQOSA-N 1 3 388.556 3.550 20 0 GHADHO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508712606 892829190 /nfs/dbraw/zinc/82/91/90/892829190.db2.gz DEYJIBQJRHNVMG-FXAWDEMLSA-N 1 3 385.939 3.570 20 0 GHADHO COc1cc(NCC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1 ZINC000508723507 892989701 /nfs/dbraw/zinc/98/97/01/892989701.db2.gz XJYYCSDFUGGTQG-UYAOXDASSA-N 1 3 383.536 3.616 20 0 GHADHO C[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[NH+]1CCCCC1 ZINC000918121482 893197321 /nfs/dbraw/zinc/19/73/21/893197321.db2.gz OMERAKCZEALJES-RTBURBONSA-N 1 3 392.613 3.695 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000563382989 893683823 /nfs/dbraw/zinc/68/38/23/893683823.db2.gz AEKSOUDQRYYLBZ-UHFFFAOYSA-N 1 3 389.971 3.642 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@H]4CC5(CO4)CCOCC5)CC[C@@H]32)cc1 ZINC000878198123 894086843 /nfs/dbraw/zinc/08/68/43/894086843.db2.gz SPQUDXZTGBZPQO-ZLNRFVROSA-N 1 3 384.564 3.559 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@H]4CC5(CO4)CCOCC5)CC[C@@H]32)cc1 ZINC000878198123 894086862 /nfs/dbraw/zinc/08/68/62/894086862.db2.gz SPQUDXZTGBZPQO-ZLNRFVROSA-N 1 3 384.564 3.559 20 0 GHADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)C[N@@H+]2C1 ZINC001135296054 894331803 /nfs/dbraw/zinc/33/18/03/894331803.db2.gz LFNCNQDLXYFASS-YSTOQKLRSA-N 1 3 389.609 3.758 20 0 GHADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)C[N@H+]2C1 ZINC001135296054 894331813 /nfs/dbraw/zinc/33/18/13/894331813.db2.gz LFNCNQDLXYFASS-YSTOQKLRSA-N 1 3 389.609 3.758 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001135296572 894334776 /nfs/dbraw/zinc/33/47/76/894334776.db2.gz YAMYFUBBRKOREO-OALUTQOASA-N 1 3 377.598 3.758 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001135296572 894334790 /nfs/dbraw/zinc/33/47/90/894334790.db2.gz YAMYFUBBRKOREO-OALUTQOASA-N 1 3 377.598 3.758 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CNC(C)(C)c2cccs2)CC1 ZINC000564006792 894444893 /nfs/dbraw/zinc/44/48/93/894444893.db2.gz PJWZECHDYJJLPZ-UHFFFAOYSA-N 1 3 385.577 3.662 20 0 GHADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000455847664 894592758 /nfs/dbraw/zinc/59/27/58/894592758.db2.gz JAFOEMPZZOHVOC-FGZHOGPDSA-N 1 3 396.535 3.669 20 0 GHADHO COc1cc(C)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000564538450 895063996 /nfs/dbraw/zinc/06/39/96/895063996.db2.gz WIYBSESAZHAKIL-UNMCSNQZSA-N 1 3 380.532 3.966 20 0 GHADHO COc1cc(C)c(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000564538450 895064011 /nfs/dbraw/zinc/06/40/11/895064011.db2.gz WIYBSESAZHAKIL-UNMCSNQZSA-N 1 3 380.532 3.966 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3cc4ccccc4c(Cl)n3)CC2)CC1 ZINC000817285235 895437158 /nfs/dbraw/zinc/43/71/58/895437158.db2.gz HVNKBWPOOFKAFX-UHFFFAOYSA-N 1 3 386.971 3.880 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](Cc4ccccc4)[C@H]3C)CC2)CC1 ZINC000565187423 895448547 /nfs/dbraw/zinc/44/85/47/895448547.db2.gz CLIXMPAFDUPCFR-NFBKMPQASA-N 1 3 397.607 3.662 20 0 GHADHO CCc1ccc([C@@H]2CCN(C(=O)C3CCN(C4CC[NH+](CC)CC4)CC3)C2)cc1 ZINC000565202335 895458296 /nfs/dbraw/zinc/45/82/96/895458296.db2.gz AFCDLOHZPWJFNS-HSZRJFAPSA-N 1 3 397.607 3.761 20 0 GHADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000817892916 895951565 /nfs/dbraw/zinc/95/15/65/895951565.db2.gz WWFNGYFZTBMAEP-GRWTVWFQSA-N 1 3 393.487 3.550 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@@H]3CC4CCC3CC4)CC2)CC1 ZINC000566463518 896326935 /nfs/dbraw/zinc/32/69/35/896326935.db2.gz GAEIQFXQIXHIQR-HXTDOEILSA-N 1 3 375.601 3.514 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC000819327555 896572423 /nfs/dbraw/zinc/57/24/23/896572423.db2.gz FRJFVCPDKXQIRQ-WVUPVLJSSA-N 1 3 380.532 3.602 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC000819327555 896572432 /nfs/dbraw/zinc/57/24/32/896572432.db2.gz FRJFVCPDKXQIRQ-WVUPVLJSSA-N 1 3 380.532 3.602 20 0 GHADHO O[C@@H](CNC1CC[NH+](C2CCC2)CC1)COC(c1ccccc1)c1ccccc1 ZINC000567345500 897080932 /nfs/dbraw/zinc/08/09/32/897080932.db2.gz KCDSZIPSLQQSPY-DEOSSOPVSA-N 1 3 394.559 3.760 20 0 GHADHO C/C(=C\c1cccc(C(F)(F)F)c1)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000567390120 897109975 /nfs/dbraw/zinc/10/99/75/897109975.db2.gz DKUOGSLMQFRPIG-DTQAZKPQSA-N 1 3 397.485 3.641 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c(OC(F)F)c3)CC2)CC1 ZINC000567625229 897300959 /nfs/dbraw/zinc/30/09/59/897300959.db2.gz JDNPTCBXJMFXHR-UHFFFAOYSA-N 1 3 395.494 3.731 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)CC1 ZINC000131272276 897390716 /nfs/dbraw/zinc/39/07/16/897390716.db2.gz GBPYKKSDVDOZAK-GHTZIAJQSA-N 1 3 387.593 3.882 20 0 GHADHO CCCOc1c(Cl)cc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1OC ZINC000567794568 897401602 /nfs/dbraw/zinc/40/16/02/897401602.db2.gz ATGQVISCSDGYBY-UHFFFAOYSA-N 1 3 397.991 3.595 20 0 GHADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(NC2=NCCC2)cc1 ZINC001136643851 898706340 /nfs/dbraw/zinc/70/63/40/898706340.db2.gz YXXFDSBAMURMNH-FQEVSTJZSA-N 1 3 390.531 3.585 20 0 GHADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(NC2=NCCC2)cc1 ZINC001136643851 898706351 /nfs/dbraw/zinc/70/63/51/898706351.db2.gz YXXFDSBAMURMNH-FQEVSTJZSA-N 1 3 390.531 3.585 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3N3CCCCC3)CC2)CC1 ZINC000569986055 899055609 /nfs/dbraw/zinc/05/56/09/899055609.db2.gz NKNPQFVAPWMRPP-UHFFFAOYSA-N 1 3 398.595 3.812 20 0 GHADHO Cc1c(Cl)cccc1N1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000570648418 899470197 /nfs/dbraw/zinc/47/01/97/899470197.db2.gz JUZXKGMDUDHVDX-UHFFFAOYSA-N 1 3 393.019 3.577 20 0 GHADHO Cc1c(Cl)cccc1N1CCC[N@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000570648418 899470203 /nfs/dbraw/zinc/47/02/03/899470203.db2.gz JUZXKGMDUDHVDX-UHFFFAOYSA-N 1 3 393.019 3.577 20 0 GHADHO Cc1ccn2c(CN3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)cnc2c1 ZINC001136888180 899677682 /nfs/dbraw/zinc/67/76/82/899677682.db2.gz UZCUTTXYIXFAGC-UHFFFAOYSA-N 1 3 389.547 3.914 20 0 GHADHO Cc1ccn2c(CN3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cnc2c1 ZINC001136888180 899677688 /nfs/dbraw/zinc/67/76/88/899677688.db2.gz UZCUTTXYIXFAGC-UHFFFAOYSA-N 1 3 389.547 3.914 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2cnc(N3CCOCC3)s2)CC1)CC(C)C ZINC000571925829 900010213 /nfs/dbraw/zinc/01/02/13/900010213.db2.gz PEODCANSDJXRGB-UHFFFAOYSA-N 1 3 394.629 3.560 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2cnc(N3CCOCC3)s2)CC1)CC(C)C ZINC000571925829 900010225 /nfs/dbraw/zinc/01/02/25/900010225.db2.gz PEODCANSDJXRGB-UHFFFAOYSA-N 1 3 394.629 3.560 20 0 GHADHO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000573847099 900662439 /nfs/dbraw/zinc/66/24/39/900662439.db2.gz AMIKRQULXYFBTO-HSZRJFAPSA-N 1 3 381.564 3.595 20 0 GHADHO O=C(NCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1cccs1 ZINC000886547362 901146529 /nfs/dbraw/zinc/14/65/29/901146529.db2.gz KIEHDJAKBJLMCV-UFYCRDLUSA-N 1 3 383.561 3.511 20 0 GHADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc(N4CCN(C(C)C)CC4)nc3)c2c1 ZINC001171166301 901820710 /nfs/dbraw/zinc/82/07/10/901820710.db2.gz CTAGJCHNEBGSBA-LJQANCHMSA-N 1 3 391.563 3.754 20 0 GHADHO C[C@@H]1[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CCN1Cc1ccccc1 ZINC000576667044 902173007 /nfs/dbraw/zinc/17/30/07/902173007.db2.gz ARKXCSADPAKYHB-WIYYLYMNSA-N 1 3 380.536 3.575 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000125729801 902243385 /nfs/dbraw/zinc/24/33/85/902243385.db2.gz PDOFWRIJGQURAD-KRWDZBQOSA-N 1 3 377.960 3.655 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)[C@H]3CCC[C@@H](C)C3)cc2)CC1 ZINC001171191189 902246573 /nfs/dbraw/zinc/24/65/73/902246573.db2.gz YDXYJIRTFWGUSW-AABGKKOBSA-N 1 3 386.584 3.571 20 0 GHADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000577363498 902714363 /nfs/dbraw/zinc/71/43/63/902714363.db2.gz LSSDMLWUUMHWCE-IFMALSPDSA-N 1 3 382.552 3.714 20 0 GHADHO CN(c1ccccc1CNCc1ccc2c(c1)OCCCO2)C1CC[NH+](C)CC1 ZINC000133760718 903418213 /nfs/dbraw/zinc/41/82/13/903418213.db2.gz VQHSWEMCLABSBS-UHFFFAOYSA-N 1 3 395.547 3.668 20 0 GHADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000601270260 903520599 /nfs/dbraw/zinc/52/05/99/903520599.db2.gz OLVFOHGSQPMQNV-VXKWHMMOSA-N 1 3 386.584 3.632 20 0 GHADHO c1ccc(CN2C[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C3(C2)CCOCC3)cc1 ZINC000578148468 903560142 /nfs/dbraw/zinc/56/01/42/903560142.db2.gz LIQVISAGMFHRHZ-DHIUTWEWSA-N 1 3 398.591 3.854 20 0 GHADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C3(C2)CCOCC3)cc1 ZINC000578148471 903561556 /nfs/dbraw/zinc/56/15/56/903561556.db2.gz LIQVISAGMFHRHZ-XZOQPEGZSA-N 1 3 398.591 3.854 20 0 GHADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000151355633 904112199 /nfs/dbraw/zinc/11/21/99/904112199.db2.gz YJJSPZIBLGHGRA-AWEZNQCLSA-N 1 3 376.488 3.838 20 0 GHADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000579574322 904714664 /nfs/dbraw/zinc/71/46/64/904714664.db2.gz TWQHBVZEYDVHFW-QUCCMNQESA-N 1 3 375.900 3.713 20 0 GHADHO C[NH+]1C(C)(C)CC(N[C@H]2CCCN(c3ncnc4ccccc43)C2)CC1(C)C ZINC001171630303 904851686 /nfs/dbraw/zinc/85/16/86/904851686.db2.gz LWGMTFSTHDWFCZ-KRWDZBQOSA-N 1 3 381.568 3.840 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@H]2CCCN(c3ncnc4ccccc43)C2)CC1(C)C ZINC001171630303 904851699 /nfs/dbraw/zinc/85/16/99/904851699.db2.gz LWGMTFSTHDWFCZ-KRWDZBQOSA-N 1 3 381.568 3.840 20 0 GHADHO CN1C(C)(C)CC([NH2+]CC2CCN(C(=O)c3ccc(F)cc3)CC2)CC1(C)C ZINC001171626935 904889787 /nfs/dbraw/zinc/88/97/87/904889787.db2.gz HWFFDNBEJKPQEY-UHFFFAOYSA-N 1 3 389.559 3.919 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)CC1(C)C ZINC001171638398 904928119 /nfs/dbraw/zinc/92/81/19/904928119.db2.gz VIIIEFVLHYEDPM-FQEVSTJZSA-N 1 3 383.580 3.776 20 0 GHADHO C[C@@H]1C[C@@H](N[C@@H](C[NH3+])c2ccc(Br)cc2)CN1Cc1ccccc1 ZINC001171731621 904959655 /nfs/dbraw/zinc/95/96/55/904959655.db2.gz CHJDBDYNDSCZBC-YSGRDPCXSA-N 1 3 388.353 3.702 20 0 GHADHO CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001171875113 905078923 /nfs/dbraw/zinc/07/89/23/905078923.db2.gz CBECIBIAOHEWLR-UKILVPOCSA-N 1 3 393.575 3.893 20 0 GHADHO CC[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001171875113 905078940 /nfs/dbraw/zinc/07/89/40/905078940.db2.gz CBECIBIAOHEWLR-UKILVPOCSA-N 1 3 393.575 3.893 20 0 GHADHO CN(C1CC1)C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC1 ZINC001171854614 905101062 /nfs/dbraw/zinc/10/10/62/905101062.db2.gz FWDWNIKLFZQFQZ-IBGZPJMESA-N 1 3 377.573 3.867 20 0 GHADHO COc1cccc(C[C@@H](CO)N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984610 905240479 /nfs/dbraw/zinc/24/04/79/905240479.db2.gz WKMGNUZKUGFLLG-VXKWHMMOSA-N 1 3 382.548 3.631 20 0 GHADHO COc1cccc(C[C@@H](CO)N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984610 905240493 /nfs/dbraw/zinc/24/04/93/905240493.db2.gz WKMGNUZKUGFLLG-VXKWHMMOSA-N 1 3 382.548 3.631 20 0 GHADHO C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1)C1CCCCC1 ZINC000174526378 905290027 /nfs/dbraw/zinc/29/00/27/905290027.db2.gz OVHGOPRAHQPZKS-OAQYLSRUSA-N 1 3 382.552 3.929 20 0 GHADHO C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1)C1CCCCC1 ZINC000174526378 905290046 /nfs/dbraw/zinc/29/00/46/905290046.db2.gz OVHGOPRAHQPZKS-OAQYLSRUSA-N 1 3 382.552 3.929 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@]1(F)CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172100130 905323126 /nfs/dbraw/zinc/32/31/26/905323126.db2.gz PHJMIEYWCMHNKU-UGNRZPKXSA-N 1 3 383.552 3.721 20 0 GHADHO COc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172063283 905323712 /nfs/dbraw/zinc/32/37/12/905323712.db2.gz BPLIBSXPBYNSPH-PIATZUFCSA-N 1 3 380.532 3.904 20 0 GHADHO O[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063349 905327236 /nfs/dbraw/zinc/32/72/36/905327236.db2.gz YONCUKOSRCWGBO-JBXUNAHCSA-N 1 3 394.559 3.739 20 0 GHADHO O[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063349 905327251 /nfs/dbraw/zinc/32/72/51/905327251.db2.gz YONCUKOSRCWGBO-JBXUNAHCSA-N 1 3 394.559 3.739 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@@H]2CCN(Cc4ccccn4)C2)C3)cc1 ZINC001172068748 905337271 /nfs/dbraw/zinc/33/72/71/905337271.db2.gz XFWRQKFSXDUFPU-ZKGSSEMHSA-N 1 3 390.575 3.831 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@@H]2CCN(Cc4ccccn4)C2)C3)cc1 ZINC001172068748 905337284 /nfs/dbraw/zinc/33/72/84/905337284.db2.gz XFWRQKFSXDUFPU-ZKGSSEMHSA-N 1 3 390.575 3.831 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132840 905344842 /nfs/dbraw/zinc/34/48/42/905344842.db2.gz ORGMJDYSZFNPMN-CBPXPLCBSA-N 1 3 399.579 3.953 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132840 905344856 /nfs/dbraw/zinc/34/48/56/905344856.db2.gz ORGMJDYSZFNPMN-CBPXPLCBSA-N 1 3 399.579 3.953 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OCC3CCOCC3)c(F)c1)C2 ZINC001172112378 905360102 /nfs/dbraw/zinc/36/01/02/905360102.db2.gz VXXYZOQERYYXNR-OWZKRDHZSA-N 1 3 376.516 3.736 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C2 ZINC001172112760 905361154 /nfs/dbraw/zinc/36/11/54/905361154.db2.gz ZYMXDSIVNDHTAJ-BURNTYAHSA-N 1 3 387.568 3.727 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C2 ZINC001172112760 905361167 /nfs/dbraw/zinc/36/11/67/905361167.db2.gz ZYMXDSIVNDHTAJ-BURNTYAHSA-N 1 3 387.568 3.727 20 0 GHADHO CCCC[C@H]1C[C@@H](N2CCC([NH3+])(CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001172629712 905691657 /nfs/dbraw/zinc/69/16/57/905691657.db2.gz BLEHOPIDSMZWAU-OALUTQOASA-N 1 3 397.604 3.775 20 0 GHADHO C[NH+](C)CC[C@H](NC1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 ZINC001172801208 905873837 /nfs/dbraw/zinc/87/38/37/905873837.db2.gz WVWXLYJNJIXHTP-VTHDOGFWSA-N 1 3 385.552 3.976 20 0 GHADHO C[C@H](CSc1ccc(Cl)cc1)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172878740 905960052 /nfs/dbraw/zinc/96/00/52/905960052.db2.gz KBWZTYXZXXHSFE-CJNGLKHVSA-N 1 3 387.977 4.000 20 0 GHADHO O=C(c1ccc(F)cc1)N1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001172998537 906072686 /nfs/dbraw/zinc/07/26/86/906072686.db2.gz JUBJYAIUKIGESZ-UHFFFAOYSA-N 1 3 387.543 3.675 20 0 GHADHO CCCC[C@@H](CC(C)C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001173245459 906334642 /nfs/dbraw/zinc/33/46/42/906334642.db2.gz GIZNDJMMEDWLGR-FCHUYYIVSA-N 1 3 387.612 3.996 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180024442 906666410 /nfs/dbraw/zinc/66/64/10/906666410.db2.gz UFNJGJBFMKCKGN-UHFFFAOYSA-N 1 3 395.551 3.914 20 0 GHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001173773852 906700678 /nfs/dbraw/zinc/70/06/78/906700678.db2.gz PFMYICONOJMLIF-SJORKVTESA-N 1 3 381.923 3.546 20 0 GHADHO C[NH+]1CCN(Cc2ccc(Nc3ccc4nccn4c3)cc2C(F)(F)F)CC1 ZINC001174278180 906970084 /nfs/dbraw/zinc/97/00/84/906970084.db2.gz RXDBENNBYLHCRE-UHFFFAOYSA-N 1 3 389.425 3.844 20 0 GHADHO Cc1cncc([C@@H](C)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000184340769 907565294 /nfs/dbraw/zinc/56/52/94/907565294.db2.gz QJYVMYKZBYMQPQ-LJQANCHMSA-N 1 3 383.536 3.730 20 0 GHADHO Cc1cncc([C@@H](C)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000184340769 907565308 /nfs/dbraw/zinc/56/53/08/907565308.db2.gz QJYVMYKZBYMQPQ-LJQANCHMSA-N 1 3 383.536 3.730 20 0 GHADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135411 908971458 /nfs/dbraw/zinc/97/14/58/908971458.db2.gz BHHAMJFUFNEHQU-TZIWHRDSSA-N 1 3 377.532 3.986 20 0 GHADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135411 908971465 /nfs/dbraw/zinc/97/14/65/908971465.db2.gz BHHAMJFUFNEHQU-TZIWHRDSSA-N 1 3 377.532 3.986 20 0 GHADHO CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268756586 910000003 /nfs/dbraw/zinc/00/00/03/910000003.db2.gz FJVVPHMRXQOEOU-SFHVURJKSA-N 1 3 383.536 3.618 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268826377 910034945 /nfs/dbraw/zinc/03/49/45/910034945.db2.gz ZEYCBFWEHUTMST-PGRDOPGGSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268826377 910034946 /nfs/dbraw/zinc/03/49/46/910034946.db2.gz ZEYCBFWEHUTMST-PGRDOPGGSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268826377 910034958 /nfs/dbraw/zinc/03/49/58/910034958.db2.gz ZEYCBFWEHUTMST-PGRDOPGGSA-N 1 3 375.520 3.576 20 0 GHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000269624115 910321712 /nfs/dbraw/zinc/32/17/12/910321712.db2.gz RUIJYGISJGYOMW-IBGZPJMESA-N 1 3 392.547 3.633 20 0 GHADHO C[C@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000270058366 910422286 /nfs/dbraw/zinc/42/22/86/910422286.db2.gz FXYDWKXNIVNKQA-JMQGSBJISA-N 1 3 399.604 3.805 20 0 GHADHO COc1ccc2ccccc2c1C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000271181897 910806308 /nfs/dbraw/zinc/80/63/08/910806308.db2.gz CRMHBQNJTMLUCP-UHFFFAOYSA-N 1 3 381.564 3.839 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CCC[C@H](n3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182471468 911790184 /nfs/dbraw/zinc/79/01/84/911790184.db2.gz XZZLKOLNAYVUKO-JTHBVZDNSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CCC[C@H](n3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182471468 911790190 /nfs/dbraw/zinc/79/01/90/911790190.db2.gz XZZLKOLNAYVUKO-JTHBVZDNSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@@]1(CN2CCC[C@H](n3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001182471468 911790199 /nfs/dbraw/zinc/79/01/99/911790199.db2.gz XZZLKOLNAYVUKO-JTHBVZDNSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@@]1(CN2CCC[C@H](n3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182471468 911790207 /nfs/dbraw/zinc/79/02/07/911790207.db2.gz XZZLKOLNAYVUKO-JTHBVZDNSA-N 1 3 381.568 3.853 20 0 GHADHO C[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000284421571 911859545 /nfs/dbraw/zinc/85/95/45/911859545.db2.gz RHACTJUDPGBYHG-SOKVYYICSA-N 1 3 386.561 3.748 20 0 GHADHO CC(C)C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000647293720 915139390 /nfs/dbraw/zinc/13/93/90/915139390.db2.gz YFJJGRYWUXITBR-HSZRJFAPSA-N 1 3 394.563 3.784 20 0 GHADHO C[NH+]1CCC(N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c2ccccc2)CC1 ZINC000649625296 916271316 /nfs/dbraw/zinc/27/13/16/916271316.db2.gz URUUOBBAQYTYPK-ROUUACIJSA-N 1 3 384.442 3.861 20 0 GHADHO C[NH+](C)CCCOc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000649722605 916358376 /nfs/dbraw/zinc/35/83/76/916358376.db2.gz QKHUHRBGAWCCMO-IAGOWNOFSA-N 1 3 388.430 3.703 20 0 GHADHO CCCN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CCN(C)C1 ZINC000650414241 916958532 /nfs/dbraw/zinc/95/85/32/916958532.db2.gz SCTZIIWIKCTAGI-LJQANCHMSA-N 1 3 390.597 3.823 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)cc1CN1CCCCC1 ZINC000775392742 917379641 /nfs/dbraw/zinc/37/96/41/917379641.db2.gz APZRUTZDARRXAF-PGRDOPGGSA-N 1 3 391.625 3.769 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC3CCCCC3)C3CC3)CC2)CC1 ZINC000654554539 919200345 /nfs/dbraw/zinc/20/03/45/919200345.db2.gz IBQDNMROFPGQRD-UHFFFAOYSA-N 1 3 375.601 3.754 20 0 GHADHO COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1OCc1ccc(F)cc1 ZINC000119409565 919629145 /nfs/dbraw/zinc/62/91/45/919629145.db2.gz HZXBSTJHZWNVPE-IBGZPJMESA-N 1 3 384.495 3.987 20 0 GHADHO [NH3+]CCCC[C@H](NC[C@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1F ZINC000902403928 922166956 /nfs/dbraw/zinc/16/69/56/922166956.db2.gz VMHZNWGITXIRNN-XLIONFOSSA-N 1 3 382.495 3.700 20 0 GHADHO c1ccc(CC[C@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2cccnc2)cc1 ZINC000902803786 922505665 /nfs/dbraw/zinc/50/56/65/922505665.db2.gz ZBEGEHJXPTWNAD-ZEQRLZLVSA-N 1 3 379.548 3.989 20 0 GHADHO CC(=O)OCc1cccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000903107427 922778259 /nfs/dbraw/zinc/77/82/59/922778259.db2.gz UHQIRISYAFJUIT-SFHVURJKSA-N 1 3 396.531 3.557 20 0 GHADHO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495934 923074038 /nfs/dbraw/zinc/07/40/38/923074038.db2.gz CJLYTGJZFXLMPM-IJLUTSLNSA-N 1 3 377.838 3.603 20 0 GHADHO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC2CCN(CCC(F)(F)F)CC2)C1 ZINC000371811758 924877824 /nfs/dbraw/zinc/87/78/24/924877824.db2.gz XJDVEWFIZSXQAS-UHFFFAOYSA-N 1 3 399.501 3.644 20 0 GHADHO CC(C)(O)C[N@H+]1CCc2c(cccc2NC2CCN(CCC(F)(F)F)CC2)C1 ZINC000371811758 924877830 /nfs/dbraw/zinc/87/78/30/924877830.db2.gz XJDVEWFIZSXQAS-UHFFFAOYSA-N 1 3 399.501 3.644 20 0 GHADHO COC(=O)c1ccc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC001137453830 925844338 /nfs/dbraw/zinc/84/43/38/925844338.db2.gz HYTUECHVVLAJRY-UHFFFAOYSA-N 1 3 396.531 3.826 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000373141206 925884407 /nfs/dbraw/zinc/88/44/07/925884407.db2.gz UMFLXHPJGPMPAL-RXVVDRJESA-N 1 3 376.504 3.779 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000373141206 925884417 /nfs/dbraw/zinc/88/44/17/925884417.db2.gz UMFLXHPJGPMPAL-RXVVDRJESA-N 1 3 376.504 3.779 20 0 GHADHO CN1CC[C@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)[C@@H]1c1ccccc1 ZINC000682654939 926198097 /nfs/dbraw/zinc/19/80/97/926198097.db2.gz VQPDUDSLYXQRAT-VXKWHMMOSA-N 1 3 396.535 3.584 20 0 GHADHO COc1cc(C)nc(CN(C)[C@@H]2CCC[N@H+](Cc3cc(OC)cc(C)n3)CC2)c1 ZINC000411399228 926365646 /nfs/dbraw/zinc/36/56/46/926365646.db2.gz FKSYGNUWPSFHFM-OAQYLSRUSA-N 1 3 398.551 3.597 20 0 GHADHO COc1cc(C)nc(CN(C)[C@@H]2CCC[N@@H+](Cc3cc(OC)cc(C)n3)CC2)c1 ZINC000411399228 926365654 /nfs/dbraw/zinc/36/56/54/926365654.db2.gz FKSYGNUWPSFHFM-OAQYLSRUSA-N 1 3 398.551 3.597 20 0 GHADHO CN1C[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H](c2ccccc2)C1 ZINC000412226529 927228195 /nfs/dbraw/zinc/22/81/95/927228195.db2.gz YBXONSVCCHRHMA-GOTSBHOMSA-N 1 3 377.532 3.500 20 0 GHADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000467353105 928990042 /nfs/dbraw/zinc/99/00/42/928990042.db2.gz JQOJQFBYWLZPKP-QFIPXVFZSA-N 1 3 384.495 3.568 20 0 GHADHO C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000780880553 930625369 /nfs/dbraw/zinc/62/53/69/930625369.db2.gz XYHLNAAZHRFFTN-ICSRJNTNSA-N 1 3 387.568 3.886 20 0 GHADHO C[C@](O)(CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000781422884 930838420 /nfs/dbraw/zinc/83/84/20/930838420.db2.gz QDMAWCSGVDWEFU-GOUWZUTHSA-N 1 3 382.523 3.924 20 0 GHADHO C[C@](O)(CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000781422884 930838428 /nfs/dbraw/zinc/83/84/28/930838428.db2.gz QDMAWCSGVDWEFU-GOUWZUTHSA-N 1 3 382.523 3.924 20 0 GHADHO O=C1c2ccccc2C(=O)N1CCCCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000782930682 931367425 /nfs/dbraw/zinc/36/74/25/931367425.db2.gz DHRDJIOXPJWNST-HXUWFJFHSA-N 1 3 397.563 3.793 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000777610872 932354188 /nfs/dbraw/zinc/35/41/88/932354188.db2.gz PQMPAMNCUQQFDE-YKSBVNFPSA-N 1 3 378.564 3.761 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000777610872 932354196 /nfs/dbraw/zinc/35/41/96/932354196.db2.gz PQMPAMNCUQQFDE-YKSBVNFPSA-N 1 3 378.564 3.761 20 0 GHADHO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)n1 ZINC000927051397 932391342 /nfs/dbraw/zinc/39/13/42/932391342.db2.gz FCTSAOLGANWOPB-LUYSREMJSA-N 1 3 380.536 3.911 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000798480534 932664158 /nfs/dbraw/zinc/66/41/58/932664158.db2.gz WBXKOWKPONEMRQ-HSZRJFAPSA-N 1 3 380.536 3.782 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798480534 932664162 /nfs/dbraw/zinc/66/41/62/932664162.db2.gz WBXKOWKPONEMRQ-HSZRJFAPSA-N 1 3 380.536 3.782 20 0 GHADHO COc1cc(NC(=O)CCNC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)cc1Cl ZINC000559684241 932793485 /nfs/dbraw/zinc/79/34/85/932793485.db2.gz AORNSGNNESUYFU-UHFFFAOYSA-N 1 3 397.947 3.585 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936085 932824414 /nfs/dbraw/zinc/82/44/14/932824414.db2.gz XJHFNESKWLOOQX-LOSJGSFVSA-N 1 3 391.559 3.982 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936085 932824419 /nfs/dbraw/zinc/82/44/19/932824419.db2.gz XJHFNESKWLOOQX-LOSJGSFVSA-N 1 3 391.559 3.982 20 0 GHADHO C[NH+]1CCC2(CCCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)C2)CC1 ZINC000799177514 932898001 /nfs/dbraw/zinc/89/80/01/932898001.db2.gz TVMLNBQXFIDZEU-HSZRJFAPSA-N 1 3 391.559 3.852 20 0 GHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000559890378 932925035 /nfs/dbraw/zinc/92/50/35/932925035.db2.gz FLFIGAYZKFJWGM-YTFSRNRJSA-N 1 3 398.591 3.853 20 0 GHADHO CN1CCN(CC[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1(C)C ZINC000799346874 932960779 /nfs/dbraw/zinc/96/07/79/932960779.db2.gz RZBMBUCBYMOFDB-UHFFFAOYSA-N 1 3 385.527 3.520 20 0 GHADHO NC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000560537909 933323092 /nfs/dbraw/zinc/32/30/92/933323092.db2.gz VBPKXSRGCFRDGI-TZRRMPRUSA-N 1 3 391.559 3.608 20 0 GHADHO Cc1cc(CN2CCC[N@@H+](CC(C)(C)CN(C)Cc3ccccc3)CC2)no1 ZINC001116443435 933560760 /nfs/dbraw/zinc/56/07/60/933560760.db2.gz VODXOMHGVZZDNP-UHFFFAOYSA-N 1 3 384.568 3.649 20 0 GHADHO Cc1cc(CN2CCC[N@H+](CC(C)(C)CN(C)Cc3ccccc3)CC2)no1 ZINC001116443435 933560766 /nfs/dbraw/zinc/56/07/66/933560766.db2.gz VODXOMHGVZZDNP-UHFFFAOYSA-N 1 3 384.568 3.649 20 0 GHADHO C[NH+]1CCN(Cc2cccc(CN[C@@H](c3ccccc3)c3ccccn3)c2)CC1 ZINC001116505975 933598169 /nfs/dbraw/zinc/59/81/69/933598169.db2.gz XLKKOFFRXGNIRZ-VWLOTQADSA-N 1 3 386.543 3.708 20 0 GHADHO Cc1c(Cl)cccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910523 1014572878 /nfs/dbraw/zinc/57/28/78/1014572878.db2.gz FOZHCAXPKTYWOK-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1c(Cl)cccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910523 1014572888 /nfs/dbraw/zinc/57/28/88/1014572888.db2.gz FOZHCAXPKTYWOK-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468020496 1015153564 /nfs/dbraw/zinc/15/35/64/1015153564.db2.gz FVEKADAEHVHKMR-SYYKKAFVSA-N 1 3 386.584 3.630 20 0 GHADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@@]12CCCO2 ZINC000546163850 1016570692 /nfs/dbraw/zinc/57/06/92/1016570692.db2.gz SGHGBGIUQRHOQV-YWIRWFRESA-N 1 3 384.564 3.603 20 0 GHADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[C@@]12CCCO2 ZINC000546163850 1016570706 /nfs/dbraw/zinc/57/07/06/1016570706.db2.gz SGHGBGIUQRHOQV-YWIRWFRESA-N 1 3 384.564 3.603 20 0 GHADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[C@@]12CCCO2 ZINC000546163850 1016570721 /nfs/dbraw/zinc/57/07/21/1016570721.db2.gz SGHGBGIUQRHOQV-YWIRWFRESA-N 1 3 384.564 3.603 20 0 GHADHO CC(C)[NH+](CCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000470492095 1016798037 /nfs/dbraw/zinc/79/80/37/1016798037.db2.gz LMQAXNADVPEKGQ-QFIPXVFZSA-N 1 3 388.600 3.801 20 0 GHADHO CC(C)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(Cl)cc1 ZINC001220929251 1032194665 /nfs/dbraw/zinc/19/46/65/1032194665.db2.gz BWWPFGFSNIYTNR-QFBILLFUSA-N 1 3 382.980 3.608 20 0 GHADHO CC(C)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(Cl)cc1 ZINC001220929251 1032194674 /nfs/dbraw/zinc/19/46/74/1032194674.db2.gz BWWPFGFSNIYTNR-QFBILLFUSA-N 1 3 382.980 3.608 20 0 GHADHO Cc1cccc([C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)(C)C)c1 ZINC001221280341 1032358443 /nfs/dbraw/zinc/35/84/43/1032358443.db2.gz SCHSGIVYSVZXCX-AZUAARDMSA-N 1 3 376.589 3.653 20 0 GHADHO Cc1cccc([C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)(C)C)c1 ZINC001221280341 1032358452 /nfs/dbraw/zinc/35/84/52/1032358452.db2.gz SCHSGIVYSVZXCX-AZUAARDMSA-N 1 3 376.589 3.653 20 0 GHADHO Cc1ccc2c(c1)[C@H](Nc1cc(N3CCCC3)nc(C)n1)CC21CC[NH2+]CC1 ZINC001155431099 1032539225 /nfs/dbraw/zinc/53/92/25/1032539225.db2.gz PIVLFGOIBKAFIJ-HXUWFJFHSA-N 1 3 377.536 3.872 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001204180981 1032632632 /nfs/dbraw/zinc/63/26/32/1032632632.db2.gz YHAYTXUXTFCVBQ-XMMPIXPASA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001204180981 1032632640 /nfs/dbraw/zinc/63/26/40/1032632640.db2.gz YHAYTXUXTFCVBQ-XMMPIXPASA-N 1 3 399.579 3.841 20 0 GHADHO COc1ccc(C[C@@H]([NH2+]C[C@H]2CNCCC2(F)F)c2ccc(OC)cc2)cc1 ZINC000925786145 1017148032 /nfs/dbraw/zinc/14/80/32/1017148032.db2.gz VZTPCHRKTOEJPC-WIYYLYMNSA-N 1 3 390.474 3.822 20 0 GHADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2c(ccc3ccccc23)o1 ZINC000925852001 1017162714 /nfs/dbraw/zinc/16/27/14/1017162714.db2.gz BOHMWUANKZFYQI-RDJZCZTQSA-N 1 3 378.472 3.922 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN(Cc2cccnc2)C2CCOCC2)cc1 ZINC001204268655 1032711691 /nfs/dbraw/zinc/71/16/91/1032711691.db2.gz MDGIJNACRVTING-UHFFFAOYSA-N 1 3 383.536 3.593 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccccc3SC)CC2)CC1 ZINC000563400760 1018911157 /nfs/dbraw/zinc/91/11/57/1018911157.db2.gz VHOVFLVOQQLXFS-QGZVFWFLSA-N 1 3 389.609 3.782 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000569352589 1019479800 /nfs/dbraw/zinc/47/98/00/1019479800.db2.gz WASVATHCEYJYIX-SFHLNBCPSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000569352589 1019479817 /nfs/dbraw/zinc/47/98/17/1019479817.db2.gz WASVATHCEYJYIX-SFHLNBCPSA-N 1 3 388.577 3.777 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000575333273 1019933448 /nfs/dbraw/zinc/93/34/48/1019933448.db2.gz FLJNCRZWPMXVBE-CVDCTZTESA-N 1 3 377.532 3.848 20 0 GHADHO Cn1c2ccccc2cc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1=O ZINC000579138867 1020388931 /nfs/dbraw/zinc/38/89/31/1020388931.db2.gz YRAQETQHPHTGDM-RUZDIDTESA-N 1 3 387.527 3.637 20 0 GHADHO Cn1c2ccccc2cc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1=O ZINC000579138867 1020388944 /nfs/dbraw/zinc/38/89/44/1020388944.db2.gz YRAQETQHPHTGDM-RUZDIDTESA-N 1 3 387.527 3.637 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000579593378 1020426311 /nfs/dbraw/zinc/42/63/11/1020426311.db2.gz GDRZCJMPJNFDQU-BBTUJRGHSA-N 1 3 379.548 3.727 20 0 GHADHO Cc1c(F)cccc1CN1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001204508603 1032938293 /nfs/dbraw/zinc/93/82/93/1032938293.db2.gz HSOSKLKMBGGLGA-YMPZKCBVSA-N 1 3 390.543 3.614 20 0 GHADHO Cc1ccc(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)c(OCC[NH+](C)C)c1 ZINC000678891757 1021937243 /nfs/dbraw/zinc/93/72/43/1021937243.db2.gz WUXIXKWRJLIGCM-LJQANCHMSA-N 1 3 398.551 3.577 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000679327302 1021986110 /nfs/dbraw/zinc/98/61/10/1021986110.db2.gz HHAOPEWMOKDEAC-ACIOBRDBSA-N 1 3 382.548 3.543 20 0 GHADHO c1ccc(CN2C[C@@H]3C[NH+](Cc4ccc(OC5CCOCC5)cc4)C[C@H]3C2)cc1 ZINC001141413266 1024933310 /nfs/dbraw/zinc/93/33/10/1024933310.db2.gz MMADMMGILHPDOE-DHIUTWEWSA-N 1 3 392.543 3.808 20 0 GHADHO COC(=O)c1cccc2[nH]cc(C[NH+]3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)c21 ZINC001139721956 1026564416 /nfs/dbraw/zinc/56/44/16/1026564416.db2.gz OJGQSNBHBPSQMH-PMACEKPBSA-N 1 3 389.499 3.518 20 0 GHADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccccc2C(F)F)CC1 ZINC001139798590 1026621746 /nfs/dbraw/zinc/62/17/46/1026621746.db2.gz TXBRLWXWPDVLPD-WOJBJXKFSA-N 1 3 391.506 3.531 20 0 GHADHO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC001461154111 1069415769 /nfs/dbraw/zinc/41/57/69/1069415769.db2.gz IAAJPRNQFPKRDL-FQEVSTJZSA-N 1 3 390.531 3.740 20 0 GHADHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccc(Br)n4)cc3)C[C@@H]2C1 ZINC001140180723 1026953551 /nfs/dbraw/zinc/95/35/51/1026953551.db2.gz PQJYTGICPHINSE-HDICACEKSA-N 1 3 386.337 3.895 20 0 GHADHO CCN1C[C@@H]2C[N@H+](Cc3ccc(-c4cccc(Br)n4)cc3)C[C@@H]2C1 ZINC001140180723 1026953553 /nfs/dbraw/zinc/95/35/53/1026953553.db2.gz PQJYTGICPHINSE-HDICACEKSA-N 1 3 386.337 3.895 20 0 GHADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1cccc(F)c1)CC2 ZINC001203784492 1027602908 /nfs/dbraw/zinc/60/29/08/1027602908.db2.gz DGVUCKUOUBLVHE-QFIPXVFZSA-N 1 3 390.543 3.555 20 0 GHADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1cccc(F)c1)CC2 ZINC001203784492 1027602917 /nfs/dbraw/zinc/60/29/17/1027602917.db2.gz DGVUCKUOUBLVHE-QFIPXVFZSA-N 1 3 390.543 3.555 20 0 GHADHO CC[N@H+](CCCN(C)C)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC001141971008 1027774041 /nfs/dbraw/zinc/77/40/41/1027774041.db2.gz QLUNAMKXEFPEML-UHFFFAOYSA-N 1 3 399.560 3.652 20 0 GHADHO CC[N@@H+](CCCN(C)C)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC001141971008 1027774064 /nfs/dbraw/zinc/77/40/64/1027774064.db2.gz QLUNAMKXEFPEML-UHFFFAOYSA-N 1 3 399.560 3.652 20 0 GHADHO CC(C)(C)CCN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC001142026749 1027913946 /nfs/dbraw/zinc/91/39/46/1027913946.db2.gz JEEDEIPRZHURHD-HXUWFJFHSA-N 1 3 389.559 3.618 20 0 GHADHO CC(C)(C)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC001142026749 1027913950 /nfs/dbraw/zinc/91/39/50/1027913950.db2.gz JEEDEIPRZHURHD-HXUWFJFHSA-N 1 3 389.559 3.618 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364853 1029942400 /nfs/dbraw/zinc/94/24/00/1029942400.db2.gz ZTRZDDMYUXFBBU-SFHVURJKSA-N 1 3 379.504 3.881 20 0 GHADHO Nc1cc(CN2CCCC3(CCCC[NH2+]C3)CCC2)c(Br)cn1 ZINC001222120344 1029970549 /nfs/dbraw/zinc/97/05/49/1029970549.db2.gz VKIWLNHEGNYNKM-UHFFFAOYSA-N 1 3 381.362 3.562 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126938 1029972586 /nfs/dbraw/zinc/97/25/86/1029972586.db2.gz HZRRCUWCPOYMTO-FGZHOGPDSA-N 1 3 386.584 3.633 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126938 1029972591 /nfs/dbraw/zinc/97/25/91/1029972591.db2.gz HZRRCUWCPOYMTO-FGZHOGPDSA-N 1 3 386.584 3.633 20 0 GHADHO c1c(CN2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc2cc[nH]cc1-2 ZINC001222590494 1030215436 /nfs/dbraw/zinc/21/54/36/1030215436.db2.gz IIPVKJIXVSHIBF-JOCHJYFZSA-N 1 3 390.531 3.866 20 0 GHADHO FC(F)(F)Oc1cccc(Br)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629129 1030250449 /nfs/dbraw/zinc/25/04/49/1030250449.db2.gz ALBNPBAUJWQVNP-TXEJJXNPSA-N 1 3 393.247 3.779 20 0 GHADHO C[NH+](C)CCN1CC[C@]2(CCCN2Cc2cc(-c3ccsc3)cs2)C1=O ZINC001276907008 1030673448 /nfs/dbraw/zinc/67/34/48/1030673448.db2.gz QEZLHTIAUZSGSQ-HXUWFJFHSA-N 1 3 389.590 3.605 20 0 GHADHO [NH3+]C1CCN(Cc2ccc(O[C@H]3CCCN(Cc4ccccc4F)C3)cc2)CC1 ZINC001218390540 1030916270 /nfs/dbraw/zinc/91/62/70/1030916270.db2.gz LSYLQMRQZHZEAL-QHCPKHFHSA-N 1 3 397.538 3.792 20 0 GHADHO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1 ZINC001218677944 1031031461 /nfs/dbraw/zinc/03/14/61/1031031461.db2.gz UNCRNOVURHNYCM-IBGZPJMESA-N 1 3 399.583 3.912 20 0 GHADHO CN1Cc2c(NC(=O)C3CCC4(C[NH2+]C4)CC3)cccc2[C@H](c2ccccc2)C1 ZINC001219046359 1031228267 /nfs/dbraw/zinc/22/82/67/1031228267.db2.gz BIJMMPRMORAXBI-NRFANRHFSA-N 1 3 389.543 3.982 20 0 GHADHO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)c1csc2c1CCNC2 ZINC001219489802 1031455560 /nfs/dbraw/zinc/45/55/60/1031455560.db2.gz VYBKKJHUCMVMSZ-LJQANCHMSA-N 1 3 395.572 3.989 20 0 GHADHO FC(F)(F)c1ccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001205377342 1033384340 /nfs/dbraw/zinc/38/43/40/1033384340.db2.gz HRKZVUYBHBAIAY-UHFFFAOYSA-N 1 3 390.453 3.984 20 0 GHADHO FC(F)(F)c1ccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001205377342 1033384350 /nfs/dbraw/zinc/38/43/50/1033384350.db2.gz HRKZVUYBHBAIAY-UHFFFAOYSA-N 1 3 390.453 3.984 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CCC[C@@](F)(C[NH3+])CC3)c2n1 ZINC001205580129 1033477846 /nfs/dbraw/zinc/47/78/46/1033477846.db2.gz QHSNVJDSAJVDJP-SFHVURJKSA-N 1 3 396.304 3.659 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205637647 1033505624 /nfs/dbraw/zinc/50/56/24/1033505624.db2.gz ICLKROZCBPWXFS-KBPBESRZSA-N 1 3 377.916 3.805 20 0 GHADHO c1ccc(CN2CCc3c(ccnc3-c3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001205894366 1033624284 /nfs/dbraw/zinc/62/42/84/1033624284.db2.gz IFZWVQRRCFTBCR-UHFFFAOYSA-N 1 3 384.527 3.717 20 0 GHADHO O=C([C@@H]1CC2(CC[NH2+]CC2)c2ccccc21)N1CCN(CC2CCCCC2)CC1 ZINC001157579262 1033669513 /nfs/dbraw/zinc/66/95/13/1033669513.db2.gz LERSUJBUQBCCSB-JOCHJYFZSA-N 1 3 395.591 3.520 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001229931909 1033798299 /nfs/dbraw/zinc/79/82/99/1033798299.db2.gz XFWYHLDVFUWMHK-QRFRQXIXSA-N 1 3 394.991 3.547 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001229931909 1033798316 /nfs/dbraw/zinc/79/83/16/1033798316.db2.gz XFWYHLDVFUWMHK-QRFRQXIXSA-N 1 3 394.991 3.547 20 0 GHADHO Cc1nc2scc(-c3cccs3)c2c(N2CCC([N@@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158269879 1033995597 /nfs/dbraw/zinc/99/55/97/1033995597.db2.gz SAAVGLGSZVCAEI-AWEZNQCLSA-N 1 3 399.589 3.730 20 0 GHADHO Cc1nc2scc(-c3cccs3)c2c(N2CCC([N@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158269879 1033995599 /nfs/dbraw/zinc/99/55/99/1033995599.db2.gz SAAVGLGSZVCAEI-AWEZNQCLSA-N 1 3 399.589 3.730 20 0 GHADHO CC(C)c1ccc(CC[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C(C)C)C2)cc1 ZINC001207521283 1034426495 /nfs/dbraw/zinc/42/64/95/1034426495.db2.gz RDFVYZSOONNFOJ-SGNDLWITSA-N 1 3 395.595 3.817 20 0 GHADHO CC(C)c1ccc(CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C(C)C)C2)cc1 ZINC001207521283 1034426502 /nfs/dbraw/zinc/42/65/02/1034426502.db2.gz RDFVYZSOONNFOJ-SGNDLWITSA-N 1 3 395.595 3.817 20 0 GHADHO Cc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc(C)c1Cl ZINC001159461676 1034607438 /nfs/dbraw/zinc/60/74/38/1034607438.db2.gz XWDOXSVIPZNEKV-UHFFFAOYSA-N 1 3 383.927 3.656 20 0 GHADHO C[NH+]1CCC(C2CCN(Cc3[nH]nc4cc(Br)ccc43)CC2)CC1 ZINC001231613553 1034768565 /nfs/dbraw/zinc/76/85/65/1034768565.db2.gz PXCOTCLJBAYEGX-UHFFFAOYSA-N 1 3 391.357 3.879 20 0 GHADHO CCOc1ccc(CN2CCC3(CC[N@H+](Cc4cccc(OC)c4)C3)CC2)cn1 ZINC001231653452 1034811056 /nfs/dbraw/zinc/81/10/56/1034811056.db2.gz RNKFLPQUBWSDHE-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO CCOc1ccc(CN2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)cn1 ZINC001231653452 1034811070 /nfs/dbraw/zinc/81/10/70/1034811070.db2.gz RNKFLPQUBWSDHE-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO CCN1CCN(c2ccc(Nc3ccc(OC4CC[NH2+]CC4)c(F)c3)cc2)CC1 ZINC001160098720 1034858545 /nfs/dbraw/zinc/85/85/45/1034858545.db2.gz ICBWXSYLENZSOX-UHFFFAOYSA-N 1 3 398.526 3.842 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1 ZINC001160520563 1034994137 /nfs/dbraw/zinc/99/41/37/1034994137.db2.gz WJSRWKAUFQNSAU-JOCHJYFZSA-N 1 3 383.511 3.844 20 0 GHADHO O=C(CC1CC[NH2+]CC1)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160679859 1035033172 /nfs/dbraw/zinc/03/31/72/1035033172.db2.gz LKEBWVPBRNZSDD-XMMPIXPASA-N 1 3 391.559 3.679 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208934716 1035100643 /nfs/dbraw/zinc/10/06/43/1035100643.db2.gz FZPRKDSTWIFRCA-KMDXXIMOSA-N 1 3 384.564 3.559 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208934716 1035100646 /nfs/dbraw/zinc/10/06/46/1035100646.db2.gz FZPRKDSTWIFRCA-KMDXXIMOSA-N 1 3 384.564 3.559 20 0 GHADHO c1ccc(CN2CCC[C@@H](C[N@@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935660 1035102319 /nfs/dbraw/zinc/10/23/19/1035102319.db2.gz KXACGNZGOCLATB-DSNGMDLFSA-N 1 3 390.575 3.642 20 0 GHADHO c1ccc(CN2CCC[C@@H](C[N@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935660 1035102325 /nfs/dbraw/zinc/10/23/25/1035102325.db2.gz KXACGNZGOCLATB-DSNGMDLFSA-N 1 3 390.575 3.642 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936217 1035103115 /nfs/dbraw/zinc/10/31/15/1035103115.db2.gz MUESGIVULCHKNA-ISKFKSNPSA-N 1 3 383.580 3.622 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936217 1035103117 /nfs/dbraw/zinc/10/31/17/1035103117.db2.gz MUESGIVULCHKNA-ISKFKSNPSA-N 1 3 383.580 3.622 20 0 GHADHO c1csc(CN2C[C@@H]3C[N@H+](C[C@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)c1 ZINC001208943890 1035113411 /nfs/dbraw/zinc/11/34/11/1035113411.db2.gz WFNMEPNXTONERI-FDFHNCONSA-N 1 3 381.589 3.634 20 0 GHADHO c1csc(CN2C[C@@H]3C[N@@H+](C[C@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)c1 ZINC001208943890 1035113417 /nfs/dbraw/zinc/11/34/17/1035113417.db2.gz WFNMEPNXTONERI-FDFHNCONSA-N 1 3 381.589 3.634 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c1 ZINC001232150804 1035128760 /nfs/dbraw/zinc/12/87/60/1035128760.db2.gz VHMBWSZPRFXIMY-FYYLOGMGSA-N 1 3 390.543 3.543 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c1 ZINC001232150804 1035128764 /nfs/dbraw/zinc/12/87/64/1035128764.db2.gz VHMBWSZPRFXIMY-FYYLOGMGSA-N 1 3 390.543 3.543 20 0 GHADHO CCN(Cc1cc(F)cc(C[NH+](C)C)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001232151981 1035130821 /nfs/dbraw/zinc/13/08/21/1035130821.db2.gz SFKPVWPOTKRHBW-XMMPIXPASA-N 1 3 399.554 3.610 20 0 GHADHO CN(CCC[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1)C(=O)OC(C)(C)C ZINC001209138707 1035189896 /nfs/dbraw/zinc/18/98/96/1035189896.db2.gz GSUKHIKLGYWHIW-UHFFFAOYSA-N 1 3 391.556 3.825 20 0 GHADHO CCC[NH+](CCC)CCN1CCN(CCCCOCc2ccccc2)CC1 ZINC001209265042 1035227310 /nfs/dbraw/zinc/22/73/10/1035227310.db2.gz IWIPSSDELWMQHK-UHFFFAOYSA-N 1 3 375.601 3.723 20 0 GHADHO C[C@H]1CC(C[N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383593 1035264376 /nfs/dbraw/zinc/26/43/76/1035264376.db2.gz XHHJYEGBIBGEHZ-TWXAQOBRSA-N 1 3 390.612 3.651 20 0 GHADHO C[C@H]1CC(C[N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383593 1035264382 /nfs/dbraw/zinc/26/43/82/1035264382.db2.gz XHHJYEGBIBGEHZ-TWXAQOBRSA-N 1 3 390.612 3.651 20 0 GHADHO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001246015350 1037136270 /nfs/dbraw/zinc/13/62/70/1037136270.db2.gz BMDGHLYBQSVWHY-KBJGYGKASA-N 1 3 376.491 3.745 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001246054754 1037168401 /nfs/dbraw/zinc/16/84/01/1037168401.db2.gz POWLQKNABSQJFY-XUVXKRRUSA-N 1 3 378.438 3.773 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001246054754 1037168411 /nfs/dbraw/zinc/16/84/11/1037168411.db2.gz POWLQKNABSQJFY-XUVXKRRUSA-N 1 3 378.438 3.773 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N[C@@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246270597 1037266513 /nfs/dbraw/zinc/26/65/13/1037266513.db2.gz MMPBFOLYEFTZFI-ZACQAIPSSA-N 1 3 398.332 3.515 20 0 GHADHO CC[C@@H]1C[C@@H](N[C@H]2Cc3ccc(I)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246274224 1037271468 /nfs/dbraw/zinc/27/14/68/1037271468.db2.gz XKPABGNEXZOHOF-MHORFTMASA-N 1 3 398.332 3.657 20 0 GHADHO COC(=O)C(CNC1C[C@@H](C)[NH2+][C@H](C)C1)(Cc1ccccc1)Cc1ccccc1 ZINC001246330206 1037297216 /nfs/dbraw/zinc/29/72/16/1037297216.db2.gz SCCNLOZDHVDXNL-WOJBJXKFSA-N 1 3 394.559 3.750 20 0 GHADHO COC(=O)C1C[C@@H]2CC(N[C@@H](Cc3ccc(C)cc3)c3ccccc3)C[C@H](C1)[NH2+]2 ZINC001246341494 1037303356 /nfs/dbraw/zinc/30/33/56/1037303356.db2.gz ZIOFMCAYHUYKEC-OJVCVCITSA-N 1 3 392.543 3.941 20 0 GHADHO c1ccc(C[C@@H]2C[C@@H]([NH2+]CC3(Cc4ccccc4)CCOCC3)CCN2)cc1 ZINC001246393776 1037354225 /nfs/dbraw/zinc/35/42/25/1037354225.db2.gz XQASRJDSGRFBDQ-BJKOFHAPSA-N 1 3 378.560 3.979 20 0 GHADHO C[C@@H]1CC([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)C[C@@H](C)N1 ZINC001246416578 1037373737 /nfs/dbraw/zinc/37/37/37/1037373737.db2.gz SBNRDRVUHFFDNU-HZPDHXFCSA-N 1 3 395.385 3.907 20 0 GHADHO COC(=O)C1(C)CCC(NC2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246423972 1037380639 /nfs/dbraw/zinc/38/06/39/1037380639.db2.gz SBJBUNLZHQGFIG-UHFFFAOYSA-N 1 3 398.469 3.996 20 0 GHADHO FC(F)(F)c1cccc(C2([NH2+][C@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246429008 1037389732 /nfs/dbraw/zinc/38/97/32/1037389732.db2.gz FXSDSQIUMLEJKE-GJZGRUSLSA-N 1 3 395.391 3.557 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246435181 1037396821 /nfs/dbraw/zinc/39/68/21/1037396821.db2.gz GHLZSLFADHAGPT-APWZRJJASA-N 1 3 378.944 3.716 20 0 GHADHO CC(C)(C)OC(=O)COc1ccc(CCN[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246484829 1037430561 /nfs/dbraw/zinc/43/05/61/1037430561.db2.gz RPWVPNCACVFKRM-QUCCMNQESA-N 1 3 390.568 3.706 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN[C@@H](Cc3ccccc3)C1)CCC2 ZINC001246496923 1037441803 /nfs/dbraw/zinc/44/18/03/1037441803.db2.gz DMSHGNMDDCOZNY-FUDKSRODSA-N 1 3 378.516 3.804 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@@H](C)[C@@H](CN)C2)CC1 ZINC001246548595 1037476946 /nfs/dbraw/zinc/47/69/46/1037476946.db2.gz FJLHFXXANBVMRI-QOXJJDPVSA-N 1 3 378.944 3.610 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@@H](C)[C@@H](CN)C2)CC1 ZINC001246548595 1037476958 /nfs/dbraw/zinc/47/69/58/1037476958.db2.gz FJLHFXXANBVMRI-QOXJJDPVSA-N 1 3 378.944 3.610 20 0 GHADHO C[N@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246595361 1037495530 /nfs/dbraw/zinc/49/55/30/1037495530.db2.gz NCYGJVGPTKUXJA-UKILVPOCSA-N 1 3 377.576 3.946 20 0 GHADHO C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246595361 1037495553 /nfs/dbraw/zinc/49/55/53/1037495553.db2.gz NCYGJVGPTKUXJA-UKILVPOCSA-N 1 3 377.576 3.946 20 0 GHADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)N1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246635546 1037522032 /nfs/dbraw/zinc/52/20/32/1037522032.db2.gz CKIUZDDRKVWJAY-XJKSGUPXSA-N 1 3 378.385 3.837 20 0 GHADHO Fc1ccc(N2CCC(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246683337 1037546129 /nfs/dbraw/zinc/54/61/29/1037546129.db2.gz RRCULBULWXYWBH-DNQXCXABSA-N 1 3 379.523 3.874 20 0 GHADHO COc1ccc2cc(CC[C@H](C)[N@@H+]3CC[C@@]45CNC[C@@H](C[C@H]4C3)O5)ccc2c1 ZINC001246687129 1037547886 /nfs/dbraw/zinc/54/78/86/1037547886.db2.gz VIMDOQGMQYDLFN-CMIZEVDMSA-N 1 3 380.532 3.622 20 0 GHADHO COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@@]45CNC[C@@H](C[C@H]4C3)O5)ccc2c1 ZINC001246687129 1037547902 /nfs/dbraw/zinc/54/79/02/1037547902.db2.gz VIMDOQGMQYDLFN-CMIZEVDMSA-N 1 3 380.532 3.622 20 0 GHADHO C[NH2+]CC[C@H](C)N1CCC(c2cc3c(ncn3C)c(-c3ccccc3)n2)CC1 ZINC001246696717 1037553691 /nfs/dbraw/zinc/55/36/91/1037553691.db2.gz QYNGNZNSNOZORK-KRWDZBQOSA-N 1 3 377.536 3.813 20 0 GHADHO C[C@H]1C[C@H](N2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC001246699648 1037556100 /nfs/dbraw/zinc/55/61/00/1037556100.db2.gz YCZFUKNZTTXZMW-FXAWDEMLSA-N 1 3 389.547 3.955 20 0 GHADHO C[C@H]1C[C@H]([NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)CCN1 ZINC001246699648 1037556112 /nfs/dbraw/zinc/55/61/12/1037556112.db2.gz YCZFUKNZTTXZMW-FXAWDEMLSA-N 1 3 389.547 3.955 20 0 GHADHO COc1ccc(N2C[C@]3(CCN([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246698120 1037556223 /nfs/dbraw/zinc/55/62/23/1037556223.db2.gz WPVLRRUIWPZRAX-NFBKMPQASA-N 1 3 397.563 3.579 20 0 GHADHO C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)CCN1 ZINC001246753129 1037593706 /nfs/dbraw/zinc/59/37/06/1037593706.db2.gz GMIRWUYDRKSKPG-SBHAEUEKSA-N 1 3 395.591 3.707 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)CC[NH2+]1 ZINC001246753129 1037593720 /nfs/dbraw/zinc/59/37/20/1037593720.db2.gz GMIRWUYDRKSKPG-SBHAEUEKSA-N 1 3 395.591 3.707 20 0 GHADHO CC(C)CN1c2ccccc2[C@@]2(CCN([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)C1=O ZINC001246780890 1037621679 /nfs/dbraw/zinc/62/16/79/1037621679.db2.gz VVPVWIZMZMFANZ-VNZMSGEBSA-N 1 3 383.580 3.799 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1 ZINC001246914683 1037720810 /nfs/dbraw/zinc/72/08/10/1037720810.db2.gz ZWBZUAMGAJMIBF-SWXWDQRWSA-N 1 3 393.550 3.991 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1 ZINC001246914683 1037720828 /nfs/dbraw/zinc/72/08/28/1037720828.db2.gz ZWBZUAMGAJMIBF-SWXWDQRWSA-N 1 3 393.550 3.991 20 0 GHADHO CC1(C)C[C@H](N2CCC3(Cc4cc(Br)ccc4O3)CC2)CC[NH2+]1 ZINC001246920758 1037726840 /nfs/dbraw/zinc/72/68/40/1037726840.db2.gz FOSOSWYHWMAHCG-MRXNPFEDSA-N 1 3 379.342 3.749 20 0 GHADHO Brc1ccc2c(c1)CC1(CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC1)O2 ZINC001246924434 1037728156 /nfs/dbraw/zinc/72/81/56/1037728156.db2.gz SEGCAHNDKUBGLI-BCDXTJNWSA-N 1 3 391.353 3.892 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001246940360 1037745154 /nfs/dbraw/zinc/74/51/54/1037745154.db2.gz WMTCCUNAJIKLKU-NFBKMPQASA-N 1 3 383.580 3.926 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001246940360 1037745178 /nfs/dbraw/zinc/74/51/78/1037745178.db2.gz WMTCCUNAJIKLKU-NFBKMPQASA-N 1 3 383.580 3.926 20 0 GHADHO CCOCC[N@H+]([C@@H](C)CCc1ccc(Br)cc1)C1CCNCC1 ZINC001246949349 1037752772 /nfs/dbraw/zinc/75/27/72/1037752772.db2.gz JOXLNWFQYRQBOU-INIZCTEOSA-N 1 3 383.374 3.861 20 0 GHADHO CCOCC[N@@H+]([C@@H](C)CCc1ccc(Br)cc1)C1CCNCC1 ZINC001246949349 1037752791 /nfs/dbraw/zinc/75/27/91/1037752791.db2.gz JOXLNWFQYRQBOU-INIZCTEOSA-N 1 3 383.374 3.861 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)C1 ZINC001246959963 1037777676 /nfs/dbraw/zinc/77/76/76/1037777676.db2.gz KHUVXNTZGQSKBS-LPHOPBHVSA-N 1 3 392.515 3.510 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)C1 ZINC001246959963 1037777702 /nfs/dbraw/zinc/77/77/02/1037777702.db2.gz KHUVXNTZGQSKBS-LPHOPBHVSA-N 1 3 392.515 3.510 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H](N(Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246959963 1037777724 /nfs/dbraw/zinc/77/77/24/1037777724.db2.gz KHUVXNTZGQSKBS-LPHOPBHVSA-N 1 3 392.515 3.510 20 0 GHADHO CCCOC1CCC([N@H+](Cc2cccc(C(=O)OC)c2)C2CCNCC2)CC1 ZINC001246961165 1037782145 /nfs/dbraw/zinc/78/21/45/1037782145.db2.gz ZQRJUSGMFBDJAH-UHFFFAOYSA-N 1 3 388.552 3.765 20 0 GHADHO CCCOC1CCC([N@@H+](Cc2cccc(C(=O)OC)c2)C2CCNCC2)CC1 ZINC001246961165 1037782158 /nfs/dbraw/zinc/78/21/58/1037782158.db2.gz ZQRJUSGMFBDJAH-UHFFFAOYSA-N 1 3 388.552 3.765 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2Cc3ccccc3C23CCNCC3)cc1 ZINC001247010544 1037833989 /nfs/dbraw/zinc/83/39/89/1037833989.db2.gz PXENRKMRCQQUHH-SFHVURJKSA-N 1 3 378.516 3.889 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2Cc3ccccc3C23CCNCC3)cc1 ZINC001247010544 1037834012 /nfs/dbraw/zinc/83/40/12/1037834012.db2.gz PXENRKMRCQQUHH-SFHVURJKSA-N 1 3 378.516 3.889 20 0 GHADHO C[N@@H+](Cc1cccc(Br)c1N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001232526626 1038291018 /nfs/dbraw/zinc/29/10/18/1038291018.db2.gz LOWIUBFRGDAPFM-QGZVFWFLSA-N 1 3 388.353 3.985 20 0 GHADHO C[N@H+](Cc1cccc(Br)c1N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001232526626 1038291022 /nfs/dbraw/zinc/29/10/22/1038291022.db2.gz LOWIUBFRGDAPFM-QGZVFWFLSA-N 1 3 388.353 3.985 20 0 GHADHO Cc1ccc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1O ZINC001233230817 1038991666 /nfs/dbraw/zinc/99/16/66/1038991666.db2.gz DBCZPYVFPNLWLF-JOCHJYFZSA-N 1 3 380.532 3.956 20 0 GHADHO Cc1ccc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1O ZINC001233230817 1038991670 /nfs/dbraw/zinc/99/16/70/1038991670.db2.gz DBCZPYVFPNLWLF-JOCHJYFZSA-N 1 3 380.532 3.956 20 0 GHADHO O[C@@H](CNC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)c1ccc(F)cc1 ZINC001252864304 1039217873 /nfs/dbraw/zinc/21/78/73/1039217873.db2.gz BFAXMIAFMAXATB-QHCPKHFHSA-N 1 3 381.495 3.637 20 0 GHADHO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c(OCc2ccccc2)c1 ZINC001233639001 1039502358 /nfs/dbraw/zinc/50/23/58/1039502358.db2.gz IZDPXYHJVBVPMQ-BJKOFHAPSA-N 1 3 393.575 3.784 20 0 GHADHO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c(OCc2ccccc2)c1 ZINC001233639001 1039502374 /nfs/dbraw/zinc/50/23/74/1039502374.db2.gz IZDPXYHJVBVPMQ-BJKOFHAPSA-N 1 3 393.575 3.784 20 0 GHADHO CN(Cc1ccccc1)C1CC[NH+](C[C@H](O)CCOCc2ccccc2)CC1 ZINC001253276003 1039522013 /nfs/dbraw/zinc/52/20/13/1039522013.db2.gz ZMVCIZCBYPEYCQ-XMMPIXPASA-N 1 3 382.548 3.551 20 0 GHADHO COc1ncc(CN2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)s1 ZINC001278721131 1039632826 /nfs/dbraw/zinc/63/28/26/1039632826.db2.gz VWERPTDOMJKCMW-OKILXGFUSA-N 1 3 377.476 3.638 20 0 GHADHO COc1ncc(CN2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)s1 ZINC001278721131 1039632829 /nfs/dbraw/zinc/63/28/29/1039632829.db2.gz VWERPTDOMJKCMW-OKILXGFUSA-N 1 3 377.476 3.638 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](N2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001254298060 1040149535 /nfs/dbraw/zinc/14/95/35/1040149535.db2.gz YHTSFBZYLACEMW-FQEVSTJZSA-N 1 3 387.568 3.812 20 0 GHADHO CCC(CC)[NH+]1CCC(N[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254693216 1040452142 /nfs/dbraw/zinc/45/21/42/1040452142.db2.gz STAQKVGONPKSGU-KRWDZBQOSA-N 1 3 397.629 3.724 20 0 GHADHO CCC(CC)N1CCC([NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1 ZINC001254998737 1040718856 /nfs/dbraw/zinc/71/88/56/1040718856.db2.gz SZNSNQIBEKQPGP-DIMPSALBSA-N 1 3 385.596 3.661 20 0 GHADHO Cc1cnc(F)c(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001235333790 1040804266 /nfs/dbraw/zinc/80/42/66/1040804266.db2.gz ZXJPEBDXNVEAFH-NRFANRHFSA-N 1 3 383.511 3.785 20 0 GHADHO Cc1cnc(F)c(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001235333790 1040804294 /nfs/dbraw/zinc/80/42/94/1040804294.db2.gz ZXJPEBDXNVEAFH-NRFANRHFSA-N 1 3 383.511 3.785 20 0 GHADHO CN1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001255123194 1040815181 /nfs/dbraw/zinc/81/51/81/1040815181.db2.gz OWRWWIFZOSXDOD-DEOSSOPVSA-N 1 3 381.539 3.996 20 0 GHADHO CN1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001255123194 1040815199 /nfs/dbraw/zinc/81/51/99/1040815199.db2.gz OWRWWIFZOSXDOD-DEOSSOPVSA-N 1 3 381.539 3.996 20 0 GHADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OCc1ccccc1 ZINC001255127991 1040820512 /nfs/dbraw/zinc/82/05/12/1040820512.db2.gz HPPJVOAXGFNKMR-NUNAXRQHSA-N 1 3 378.516 3.905 20 0 GHADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCc1ccccc1 ZINC001255127991 1040820532 /nfs/dbraw/zinc/82/05/32/1040820532.db2.gz HPPJVOAXGFNKMR-NUNAXRQHSA-N 1 3 378.516 3.905 20 0 GHADHO COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc(OC)c1O ZINC001255130965 1040826581 /nfs/dbraw/zinc/82/65/81/1040826581.db2.gz KZLVCCISJFIDCP-ACDBMABISA-N 1 3 382.504 3.695 20 0 GHADHO CCN1C(=O)CCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255139532 1040846067 /nfs/dbraw/zinc/84/60/67/1040846067.db2.gz FABUERYPSCFSEK-ZBYYUNFXSA-N 1 3 381.564 3.659 20 0 GHADHO CCN1C(=O)CCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255139532 1040846079 /nfs/dbraw/zinc/84/60/79/1040846079.db2.gz FABUERYPSCFSEK-ZBYYUNFXSA-N 1 3 381.564 3.659 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255144484 1040858267 /nfs/dbraw/zinc/85/82/67/1040858267.db2.gz UFXIDKICWFOKSD-AANQFLQQSA-N 1 3 395.591 3.905 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255144484 1040858278 /nfs/dbraw/zinc/85/82/78/1040858278.db2.gz UFXIDKICWFOKSD-AANQFLQQSA-N 1 3 395.591 3.905 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235366809 1040862762 /nfs/dbraw/zinc/86/27/62/1040862762.db2.gz RTXUWQNDLQTCJA-NFBKMPQASA-N 1 3 387.568 3.545 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235366809 1040862777 /nfs/dbraw/zinc/86/27/77/1040862777.db2.gz RTXUWQNDLQTCJA-NFBKMPQASA-N 1 3 387.568 3.545 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235366809 1040862794 /nfs/dbraw/zinc/86/27/94/1040862794.db2.gz RTXUWQNDLQTCJA-NFBKMPQASA-N 1 3 387.568 3.545 20 0 GHADHO c1ccc([C@]23CC[NH2+]C[C@H]2CN(Cc2ccc(-c4cnccn4)cc2)CC3)cc1 ZINC001235368645 1040864815 /nfs/dbraw/zinc/86/48/15/1040864815.db2.gz KFJUDNJMFVPLMM-UKILVPOCSA-N 1 3 384.527 3.897 20 0 GHADHO Cc1cc(O[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)ncn1 ZINC001255150634 1040871457 /nfs/dbraw/zinc/87/14/57/1040871457.db2.gz ODTYKKWRHHCCRQ-BJESRGMDSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)ncn1 ZINC001255150634 1040871482 /nfs/dbraw/zinc/87/14/82/1040871482.db2.gz ODTYKKWRHHCCRQ-BJESRGMDSA-N 1 3 392.547 3.824 20 0 GHADHO COC(=O)CCc1ccc(CN[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255391543 1040978984 /nfs/dbraw/zinc/97/89/84/1040978984.db2.gz RIDGCVFFXZKTEA-QHCPKHFHSA-N 1 3 380.532 3.937 20 0 GHADHO COC(=O)CCc1ccc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255391543 1040978987 /nfs/dbraw/zinc/97/89/87/1040978987.db2.gz RIDGCVFFXZKTEA-QHCPKHFHSA-N 1 3 380.532 3.937 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235619543 1041041406 /nfs/dbraw/zinc/04/14/06/1041041406.db2.gz ZNWARCNEBDTKLX-UGKGYDQZSA-N 1 3 398.595 3.577 20 0 GHADHO Clc1ccc(CCC2CCN(Cc3ccc(N4CC[NH2+]CC4)nc3)CC2)cc1 ZINC001235694753 1041169452 /nfs/dbraw/zinc/16/94/52/1041169452.db2.gz JSNCPCWAZMBNGM-UHFFFAOYSA-N 1 3 398.982 3.989 20 0 GHADHO [NH3+]CCNC(=O)c1cccc(CN2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001235883124 1041409434 /nfs/dbraw/zinc/40/94/34/1041409434.db2.gz XHAWWMCFKJJGJH-KRWDZBQOSA-N 1 3 392.330 3.671 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001255943818 1041430688 /nfs/dbraw/zinc/43/06/88/1041430688.db2.gz PYVRKHGNCZLOKZ-JQVVWYNYSA-N 1 3 397.604 3.503 20 0 GHADHO CCOCCN([C@H](C)CC[NH+](CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255971790 1041449016 /nfs/dbraw/zinc/44/90/16/1041449016.db2.gz KYDMKAPIAXJUFV-LJQANCHMSA-N 1 3 399.620 3.845 20 0 GHADHO CCOCC[N@H+]([C@H](C)CCN(CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255971790 1041449023 /nfs/dbraw/zinc/44/90/23/1041449023.db2.gz KYDMKAPIAXJUFV-LJQANCHMSA-N 1 3 399.620 3.845 20 0 GHADHO CCOCC[N@@H+]([C@H](C)CCN(CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255971790 1041449039 /nfs/dbraw/zinc/44/90/39/1041449039.db2.gz KYDMKAPIAXJUFV-LJQANCHMSA-N 1 3 399.620 3.845 20 0 GHADHO COC(=O)[C@H](C[NH3+])Cc1ccc(-c2cccc(CN3CCCCC3)c2F)cc1 ZINC001236019972 1041509624 /nfs/dbraw/zinc/50/96/24/1041509624.db2.gz ZCFFHSVHMKBWKW-FQEVSTJZSA-N 1 3 384.495 3.769 20 0 GHADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC001236098490 1041534091 /nfs/dbraw/zinc/53/40/91/1041534091.db2.gz QPIKRZRDFFGERI-PZJWPPBQSA-N 1 3 384.545 3.705 20 0 GHADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC001236098490 1041534115 /nfs/dbraw/zinc/53/41/15/1041534115.db2.gz QPIKRZRDFFGERI-PZJWPPBQSA-N 1 3 384.545 3.705 20 0 GHADHO O=C(NC1CC[NH2+]CC1)c1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001236251126 1041643852 /nfs/dbraw/zinc/64/38/52/1041643852.db2.gz NEUPHWTYFGQIGC-UHFFFAOYSA-N 1 3 395.522 3.960 20 0 GHADHO CCOC(=O)N1CCC([NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)CC1 ZINC001256240116 1041672257 /nfs/dbraw/zinc/67/22/57/1041672257.db2.gz FDZBYVUKEOFQKZ-FQEVSTJZSA-N 1 3 389.540 3.577 20 0 GHADHO CC(C)(C)C[N@H+](Cc1c[nH]c2cc(Br)cnc12)C1CCNCC1 ZINC001236456695 1041720788 /nfs/dbraw/zinc/72/07/88/1041720788.db2.gz FDEJUWHMPBLGAL-UHFFFAOYSA-N 1 3 379.346 3.926 20 0 GHADHO CC(C)(C)C[N@@H+](Cc1c[nH]c2cc(Br)cnc12)C1CCNCC1 ZINC001236456695 1041720796 /nfs/dbraw/zinc/72/07/96/1041720796.db2.gz FDEJUWHMPBLGAL-UHFFFAOYSA-N 1 3 379.346 3.926 20 0 GHADHO CC(C)(C)CN(Cc1c[nH]c2cc(Br)cnc12)C1CC[NH2+]CC1 ZINC001236456695 1041720800 /nfs/dbraw/zinc/72/08/00/1041720800.db2.gz FDEJUWHMPBLGAL-UHFFFAOYSA-N 1 3 379.346 3.926 20 0 GHADHO CC(C)C1=NCCc2ccc(CN(Cc3cccnc3)[C@H]3CCC[NH2+]C3)cc21 ZINC001236478887 1041733631 /nfs/dbraw/zinc/73/36/31/1041733631.db2.gz MBRCBIFXQUQXDK-QFIPXVFZSA-N 1 3 376.548 3.837 20 0 GHADHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CN(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553685 1041760153 /nfs/dbraw/zinc/76/01/53/1041760153.db2.gz QTJBQKOWSZICLW-QTTNWMCISA-N 1 3 394.600 3.741 20 0 GHADHO CCCN(Cc1ccc(Br)c2ccc(OC)nc12)C[C@@H]1CC[NH2+]C1 ZINC001236845044 1041926398 /nfs/dbraw/zinc/92/63/98/1041926398.db2.gz YFRJCTZTGTVAOO-CQSZACIVSA-N 1 3 392.341 3.827 20 0 GHADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc4cccccc3-4)CC[C@@H]21 ZINC001237184937 1042082831 /nfs/dbraw/zinc/08/28/31/1042082831.db2.gz YPCGJOBWIKNZOM-GPXNEJASSA-N 1 3 389.547 3.756 20 0 GHADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc4cccccc3-4)CC[C@@H]21 ZINC001237184937 1042082839 /nfs/dbraw/zinc/08/28/39/1042082839.db2.gz YPCGJOBWIKNZOM-GPXNEJASSA-N 1 3 389.547 3.756 20 0 GHADHO c1ccc2c(c1)CCNC21CC[NH+](Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001237290036 1042127660 /nfs/dbraw/zinc/12/76/60/1042127660.db2.gz VCFSATAUAIFNOC-UHFFFAOYSA-N 1 3 392.543 3.881 20 0 GHADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722764 1042342418 /nfs/dbraw/zinc/34/24/18/1042342418.db2.gz YUEXOTKKYPPZNP-HSZRJFAPSA-N 1 3 385.552 3.902 20 0 GHADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722764 1042342421 /nfs/dbraw/zinc/34/24/21/1042342421.db2.gz YUEXOTKKYPPZNP-HSZRJFAPSA-N 1 3 385.552 3.902 20 0 GHADHO CN1CC[NH+](C2CCN(Cc3ccccc3-c3ccc(F)cc3F)CC2)CC1 ZINC001238578356 1042645779 /nfs/dbraw/zinc/64/57/79/1042645779.db2.gz GBDLWHOPOUEEEN-UHFFFAOYSA-N 1 3 385.502 3.844 20 0 GHADHO CN1CCN(Cc2cccc(-c3ccc(CO[C@@H]4CCCC[C@H]4[NH3+])cc3)c2)CC1 ZINC001240299608 1042919933 /nfs/dbraw/zinc/91/99/33/1042919933.db2.gz QLYOZZLSOQQJHM-JWQCQUIFSA-N 1 3 393.575 3.888 20 0 GHADHO CN1CCN(Cc2cccc(-c3ccc4[nH]cc(CC[NH+](C)C)c4c3)c2)CC1 ZINC001240305809 1042920283 /nfs/dbraw/zinc/92/02/83/1042920283.db2.gz RFHIPUXIWNGDFG-UHFFFAOYSA-N 1 3 376.548 3.686 20 0 GHADHO C[C@@H]1C[C@@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256536556 1043480189 /nfs/dbraw/zinc/48/01/89/1043480189.db2.gz FCJWWKUVGZDVGC-PSWRPDDJSA-N 1 3 399.579 3.981 20 0 GHADHO C[C@@H]1C[C@@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256536556 1043480218 /nfs/dbraw/zinc/48/02/18/1043480218.db2.gz FCJWWKUVGZDVGC-PSWRPDDJSA-N 1 3 399.579 3.981 20 0 GHADHO C[C@@H]1C[C@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542632 1043496994 /nfs/dbraw/zinc/49/69/94/1043496994.db2.gz PNHBUOWCGIDFHS-ZHHKINOHSA-N 1 3 399.579 3.981 20 0 GHADHO C[C@@H]1C[C@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542632 1043497000 /nfs/dbraw/zinc/49/70/00/1043497000.db2.gz PNHBUOWCGIDFHS-ZHHKINOHSA-N 1 3 399.579 3.981 20 0 GHADHO C[C@H]1C[C@@H](n2nc(C(F)(F)F)c3c2CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552543 1043517971 /nfs/dbraw/zinc/51/79/71/1043517971.db2.gz BQXQKRPLZOLCHC-HOCLYGCPSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@H]1C[C@@H](n2nc(C(F)(F)F)c3c2CNCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552543 1043517982 /nfs/dbraw/zinc/51/79/82/1043517982.db2.gz BQXQKRPLZOLCHC-HOCLYGCPSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@@H]1C[C@@H](n2nc(C(F)(F)F)c3c2CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552544 1043518261 /nfs/dbraw/zinc/51/82/61/1043518261.db2.gz BQXQKRPLZOLCHC-ZBFHGGJFSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@@H]1C[C@@H](n2nc(C(F)(F)F)c3c2CNCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552544 1043518270 /nfs/dbraw/zinc/51/82/70/1043518270.db2.gz BQXQKRPLZOLCHC-ZBFHGGJFSA-N 1 3 378.442 3.773 20 0 GHADHO CC(C)(C)N1CCC([NH2+][C@H]2CCN(Cc3ccc(Br)cc3)C2)CC1 ZINC001256566388 1043540143 /nfs/dbraw/zinc/54/01/43/1043540143.db2.gz SBGFVAKSCMYQJU-IBGZPJMESA-N 1 3 394.401 3.876 20 0 GHADHO CC(C)(C)OC(=O)NC1([C@@H]2CN(C3CC[NH+](C(C)(C)C)CC3)C[C@@H]2CF)CC1 ZINC001256569960 1043542868 /nfs/dbraw/zinc/54/28/68/1043542868.db2.gz UGLASSBJCMSQAZ-FUHWJXTLSA-N 1 3 397.579 3.824 20 0 GHADHO COc1ccccc1CC1([NH3+])CCN([C@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256642780 1043589729 /nfs/dbraw/zinc/58/97/29/1043589729.db2.gz RZQQVBGMJMLWKL-FQEVSTJZSA-N 1 3 380.532 3.597 20 0 GHADHO FC1(F)CCC(Cc2ccncc2)([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687060 1043621904 /nfs/dbraw/zinc/62/19/04/1043621904.db2.gz LMKVYVNYKMUCOZ-UHFFFAOYSA-N 1 3 393.522 3.805 20 0 GHADHO CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257463875 1044005590 /nfs/dbraw/zinc/00/55/90/1044005590.db2.gz QPQYVHOEDVKCGU-TUNNFDKTSA-N 1 3 387.612 3.996 20 0 GHADHO CCN(C)C1CC[NH+]([C@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818028 1044199276 /nfs/dbraw/zinc/19/92/76/1044199276.db2.gz CYZICOGDKADQAI-SIKLNZKXSA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@H+](C)C1CCN([C@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818028 1044199284 /nfs/dbraw/zinc/19/92/84/1044199284.db2.gz CYZICOGDKADQAI-SIKLNZKXSA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@@H+](C)C1CCN([C@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818028 1044199288 /nfs/dbraw/zinc/19/92/88/1044199288.db2.gz CYZICOGDKADQAI-SIKLNZKXSA-N 1 3 379.589 3.972 20 0 GHADHO CSC(C)(C)C[C@H](C)[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001258342559 1044517672 /nfs/dbraw/zinc/51/76/72/1044517672.db2.gz KTCVLOVVAQAJPE-IBGZPJMESA-N 1 3 391.625 3.916 20 0 GHADHO C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001258745958 1044740957 /nfs/dbraw/zinc/74/09/57/1044740957.db2.gz ACVYLDBXJSTBEE-NQSCKRDGSA-N 1 3 376.972 3.951 20 0 GHADHO C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001258745958 1044740964 /nfs/dbraw/zinc/74/09/64/1044740964.db2.gz ACVYLDBXJSTBEE-NQSCKRDGSA-N 1 3 376.972 3.951 20 0 GHADHO CCCN1CCC([NH2+][C@H](C(=O)Nc2ccc3oc(=O)cc(C)c3c2)C(C)C)CC1 ZINC001258770678 1044756523 /nfs/dbraw/zinc/75/65/23/1044756523.db2.gz MYPPALOPTGYFEV-QFIPXVFZSA-N 1 3 399.535 3.529 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606660116 1047327396 /nfs/dbraw/zinc/32/73/96/1047327396.db2.gz QOHXSSVNVVRZLW-GOTSBHOMSA-N 1 3 398.595 3.701 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]CCCN3CCCCC3)cccc2C1 ZINC001308185642 1049905055 /nfs/dbraw/zinc/90/50/55/1049905055.db2.gz DJYRXRVFYNWWDY-UHFFFAOYSA-N 1 3 387.568 3.945 20 0 GHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC001308293438 1049939994 /nfs/dbraw/zinc/93/99/94/1049939994.db2.gz UDCQEXTYZUMCEC-RTBURBONSA-N 1 3 394.401 3.876 20 0 GHADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Br)c(Br)c3)[C@@H]2C1 ZINC001308555766 1050007518 /nfs/dbraw/zinc/00/75/18/1050007518.db2.gz XPVLRXXJWMMYBA-YWPYICTPSA-N 1 3 388.147 3.641 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)N2CCCC2)cc1 ZINC001311766254 1052384553 /nfs/dbraw/zinc/38/45/53/1052384553.db2.gz ROQGDVZKFAPFSV-GPJHCHHRSA-N 1 3 398.595 3.504 20 0 GHADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001312790483 1052871111 /nfs/dbraw/zinc/87/11/11/1052871111.db2.gz JJWCSEBCPFBQGS-QNGMFEMESA-N 1 3 380.621 3.649 20 0 GHADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001312790483 1052871113 /nfs/dbraw/zinc/87/11/13/1052871113.db2.gz JJWCSEBCPFBQGS-QNGMFEMESA-N 1 3 380.621 3.649 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1)CC(C)C ZINC001313116635 1052961189 /nfs/dbraw/zinc/96/11/89/1052961189.db2.gz KEOANDTYCVVJDR-JOCHJYFZSA-N 1 3 392.632 3.793 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1)CC(C)C ZINC001313116635 1052961190 /nfs/dbraw/zinc/96/11/90/1052961190.db2.gz KEOANDTYCVVJDR-JOCHJYFZSA-N 1 3 392.632 3.793 20 0 GHADHO [NH2+]=C(NCC1(c2ccc(F)cc2F)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849002910 1057509203 /nfs/dbraw/zinc/50/92/03/1057509203.db2.gz YUPUQQMJGLSBCZ-UHFFFAOYSA-N 1 3 398.501 3.775 20 0 GHADHO CC[C@H](C)NC(=[NH2+])NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000849013241 1057521838 /nfs/dbraw/zinc/52/18/38/1057521838.db2.gz TUIVVSFKJONVSQ-INIZCTEOSA-N 1 3 399.505 3.520 20 0 GHADHO Cc1cccc2[nH]cc(CCNC(=[NH2+])NC3CCN(Cc4ccccc4)CC3)c21 ZINC000849068989 1057579105 /nfs/dbraw/zinc/57/91/05/1057579105.db2.gz FJGBXMUSAODKMO-UHFFFAOYSA-N 1 3 389.547 3.797 20 0 GHADHO COc1ccccc1C1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000849073164 1057582157 /nfs/dbraw/zinc/58/21/57/1057582157.db2.gz PRSWPSATXVEMMX-UHFFFAOYSA-N 1 3 392.547 3.505 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc2c(c1)CCCO2 ZINC001327263095 1057629670 /nfs/dbraw/zinc/62/96/70/1057629670.db2.gz HURUJJBMIRLYBF-IBGZPJMESA-N 1 3 379.548 3.610 20 0 GHADHO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC001440633704 1058552166 /nfs/dbraw/zinc/55/21/66/1058552166.db2.gz BJKGJBHORSLABL-LEWJYISDSA-N 1 3 385.596 3.710 20 0 GHADHO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC001440633704 1058552185 /nfs/dbraw/zinc/55/21/85/1058552185.db2.gz BJKGJBHORSLABL-LEWJYISDSA-N 1 3 385.596 3.710 20 0 GHADHO CC1CCN([C@H](CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c2cccs2)CC1 ZINC001338886092 1058856970 /nfs/dbraw/zinc/85/69/70/1058856970.db2.gz GUGRRHFEVTYFFW-GBESFXJTSA-N 1 3 392.613 3.693 20 0 GHADHO C[NH+](C)CCOc1ccccc1N1CCN(CC/C=C/c2ccccc2)CC1 ZINC001459716154 1064183672 /nfs/dbraw/zinc/18/36/72/1064183672.db2.gz MCGQLQFBEKVUJY-XYOKQWHBSA-N 1 3 379.548 3.853 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H]3CCCN4C)cc2)C1 ZINC001467605147 1067382027 /nfs/dbraw/zinc/38/20/27/1067382027.db2.gz FEWLMIRZODRNBI-IYRWYFENSA-N 1 3 398.595 3.543 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H]3CCCN4C)cc2)C1 ZINC001467605147 1067382039 /nfs/dbraw/zinc/38/20/39/1067382039.db2.gz FEWLMIRZODRNBI-IYRWYFENSA-N 1 3 398.595 3.543 20 0 GHADHO CCCN(C)[C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902348 1067520494 /nfs/dbraw/zinc/52/04/94/1067520494.db2.gz CBHCKPJWTZOGRI-AZUAARDMSA-N 1 3 379.976 3.961 20 0 GHADHO CCCN(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902348 1067520500 /nfs/dbraw/zinc/52/05/00/1067520500.db2.gz CBHCKPJWTZOGRI-AZUAARDMSA-N 1 3 379.976 3.961 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)c2cccs2)CC1 ZINC001468008386 1067562847 /nfs/dbraw/zinc/56/28/47/1067562847.db2.gz GWOKGIDKVOHWET-GOSISDBHSA-N 1 3 392.613 3.552 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCC[N@H+]2CCC(C)(C)C2)c2cccs2)CC1 ZINC001468008386 1067562852 /nfs/dbraw/zinc/56/28/52/1067562852.db2.gz GWOKGIDKVOHWET-GOSISDBHSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC001468177190 1067621674 /nfs/dbraw/zinc/62/16/74/1067621674.db2.gz VRVDMWORWVXHGS-MDNUFGMLSA-N 1 3 398.595 3.728 20 0 GHADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C(C)(C)C ZINC001477866192 1078601601 /nfs/dbraw/zinc/60/16/01/1078601601.db2.gz FSSXIGHRNSZIOL-NHCUHLMSSA-N 1 3 388.600 3.707 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001470777202 1072733282 /nfs/dbraw/zinc/73/32/82/1072733282.db2.gz KFEUZPZTVWGKLT-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC001472576536 1073558193 /nfs/dbraw/zinc/55/81/93/1073558193.db2.gz ZCUYIBIKWJUHTH-AUSIDOKSSA-N 1 3 379.548 3.746 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC001472576536 1073558200 /nfs/dbraw/zinc/55/82/00/1073558200.db2.gz ZCUYIBIKWJUHTH-AUSIDOKSSA-N 1 3 379.548 3.746 20 0 GHADHO COc1nccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)c1F ZINC001473983050 1074225643 /nfs/dbraw/zinc/22/56/43/1074225643.db2.gz RKTIBDYXNHEHFD-UHFFFAOYSA-N 1 3 377.891 3.885 20 0 GHADHO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC001474189615 1074288285 /nfs/dbraw/zinc/28/82/85/1074288285.db2.gz LAYGEPNDOHNJGF-OFNKIYASSA-N 1 3 378.495 3.755 20 0 GHADHO Cc1c(Cl)cccc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001474366425 1074365477 /nfs/dbraw/zinc/36/54/77/1074365477.db2.gz PWOFJKOCKBBWHN-UHFFFAOYSA-N 1 3 379.976 3.564 20 0 GHADHO CC(C)CCN1CCC([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC001474439521 1074407139 /nfs/dbraw/zinc/40/71/39/1074407139.db2.gz XYDHIAZTCXGKER-KRWDZBQOSA-N 1 3 397.401 3.700 20 0 GHADHO CC(C)CC[NH+]1CCC(NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC001474439521 1074407149 /nfs/dbraw/zinc/40/71/49/1074407149.db2.gz XYDHIAZTCXGKER-KRWDZBQOSA-N 1 3 397.401 3.700 20 0 GHADHO COc1cc(Br)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647544018 837475540 /nfs/dbraw/zinc/47/55/40/837475540.db2.gz VOWZNCBEKWYSJS-GJZGRUSLSA-N 1 3 397.357 3.678 20 0 GHADHO Cc1cc(Br)cc(C)c1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655703930 837693478 /nfs/dbraw/zinc/69/34/78/837693478.db2.gz NUCKFDDJQDLQKD-SFHVURJKSA-N 1 3 381.358 3.799 20 0 GHADHO Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccc(C(=O)NCCN3CCCC3)cc1)CC2 ZINC000655729236 837761975 /nfs/dbraw/zinc/76/19/75/837761975.db2.gz FCGIVBCVSMLVSX-HSZRJFAPSA-N 1 3 391.559 3.906 20 0 GHADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(CN2CCCC2)c1 ZINC000139941945 834768987 /nfs/dbraw/zinc/76/89/87/834768987.db2.gz CWWBQWLTAAOPTD-HXUWFJFHSA-N 1 3 397.588 3.986 20 0 GHADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(CN2CCCC2)c1 ZINC000139941945 834768989 /nfs/dbraw/zinc/76/89/89/834768989.db2.gz CWWBQWLTAAOPTD-HXUWFJFHSA-N 1 3 397.588 3.986 20 0 GHADHO OC1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCN(Cc2ccccc2)CC1 ZINC000397575081 835055460 /nfs/dbraw/zinc/05/54/60/835055460.db2.gz BPDFKILGTSZVDW-HXUWFJFHSA-N 1 3 386.536 3.979 20 0 GHADHO COC[C@]1(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655628 835269577 /nfs/dbraw/zinc/26/95/77/835269577.db2.gz BVDKAVZWEQYBNP-XRODADMRSA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655628 835269580 /nfs/dbraw/zinc/26/95/80/835269580.db2.gz BVDKAVZWEQYBNP-XRODADMRSA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655628 835269583 /nfs/dbraw/zinc/26/95/83/835269583.db2.gz BVDKAVZWEQYBNP-XRODADMRSA-N 1 3 394.559 3.601 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137758 835462684 /nfs/dbraw/zinc/46/26/84/835462684.db2.gz IHSVWNJOMMNRBT-BEFAXECRSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137758 835462693 /nfs/dbraw/zinc/46/26/93/835462693.db2.gz IHSVWNJOMMNRBT-BEFAXECRSA-N 1 3 376.447 3.705 20 0 GHADHO CC(C)Cc1ccc(CCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000151599219 835583075 /nfs/dbraw/zinc/58/30/75/835583075.db2.gz KMQAOWIOGNGMBC-UHFFFAOYSA-N 1 3 399.623 3.883 20 0 GHADHO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000274830770 835669461 /nfs/dbraw/zinc/66/94/61/835669461.db2.gz MFIYLWDNIGXZKH-SIKLNZKXSA-N 1 3 379.548 3.996 20 0 GHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000433381757 844075852 /nfs/dbraw/zinc/07/58/52/844075852.db2.gz LKVCEBNIKLKOOH-DHIUTWEWSA-N 1 3 395.547 3.641 20 0 GHADHO CC1CC[NH+](C[C@H]2CCCN(CC3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000159061522 835712948 /nfs/dbraw/zinc/71/29/48/835712948.db2.gz PYRUOUQZSKFKGE-OAQYLSRUSA-N 1 3 377.617 3.715 20 0 GHADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000584158975 835716771 /nfs/dbraw/zinc/71/67/71/835716771.db2.gz SWJWYAAUAKBBLK-QUCCMNQESA-N 1 3 383.511 3.963 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCN3C3CCOCC3)cc2)C1 ZINC000154561574 835761108 /nfs/dbraw/zinc/76/11/08/835761108.db2.gz RDVIJDSCQYPKPS-AVRDEDQJSA-N 1 3 385.552 3.500 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCN3C3CCOCC3)cc2)C1 ZINC000154561574 835761114 /nfs/dbraw/zinc/76/11/14/835761114.db2.gz RDVIJDSCQYPKPS-AVRDEDQJSA-N 1 3 385.552 3.500 20 0 GHADHO C[C@H](NCc1cccc(N2CCCC2=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155257534 836671148 /nfs/dbraw/zinc/67/11/48/836671148.db2.gz BXTPEVMISOKWIZ-SFHVURJKSA-N 1 3 381.520 3.605 20 0 GHADHO CN(C)Cc1ccc(-c2noc([C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000582006349 844199384 /nfs/dbraw/zinc/19/93/84/844199384.db2.gz HKZXTANSNAQNHV-RBUKOAKNSA-N 1 3 382.895 3.922 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247088268 836773734 /nfs/dbraw/zinc/77/37/34/836773734.db2.gz NTTYJPHQIOLDAI-IFMALSPDSA-N 1 3 387.543 3.515 20 0 GHADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247088303 836774841 /nfs/dbraw/zinc/77/48/41/836774841.db2.gz NTTYJPHQIOLDAI-RBBKRZOGSA-N 1 3 387.543 3.515 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2c(NC(=O)OC(C)(C)C)cnn2C)C1 ZINC000892587575 836822712 /nfs/dbraw/zinc/82/27/12/836822712.db2.gz AQXZNRDQSAUHIV-IRXDYDNUSA-N 1 3 393.576 3.615 20 0 GHADHO CC1CC[NH+](CCCCN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC1 ZINC000511397874 836986767 /nfs/dbraw/zinc/98/67/67/836986767.db2.gz MTHCPAJZKBGKDZ-VXKWHMMOSA-N 1 3 394.003 3.813 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414301677 836993206 /nfs/dbraw/zinc/99/32/06/836993206.db2.gz KBBCYEKJNMEUMG-JOCHJYFZSA-N 1 3 380.532 3.825 20 0 GHADHO COc1cc(C)c([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1OC ZINC000414312601 837059819 /nfs/dbraw/zinc/05/98/19/837059819.db2.gz WVETXPRWYAJCIU-LJQANCHMSA-N 1 3 398.547 3.690 20 0 GHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1 ZINC000659032829 837318912 /nfs/dbraw/zinc/31/89/12/837318912.db2.gz HNQKXZWGBMIDJU-LAUBAEHRSA-N 1 3 396.535 3.598 20 0 GHADHO Brc1ccc(/C=C\CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655772771 837845552 /nfs/dbraw/zinc/84/55/52/837845552.db2.gz MMUZSOHMXXPQFT-SOHNTWGLSA-N 1 3 379.342 3.695 20 0 GHADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000579949482 837959444 /nfs/dbraw/zinc/95/94/44/837959444.db2.gz QENQIRCMSAJFLR-UXHICEINSA-N 1 3 397.567 3.601 20 0 GHADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000579949483 837959720 /nfs/dbraw/zinc/95/97/20/837959720.db2.gz QENQIRCMSAJFLR-VQTJNVASSA-N 1 3 397.567 3.601 20 0 GHADHO CCCC1CCC(N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000188021323 838480829 /nfs/dbraw/zinc/48/08/29/838480829.db2.gz GQJCQMXUTXDRIW-UHFFFAOYSA-N 1 3 378.605 3.545 20 0 GHADHO [NH3+]Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653136666 838657484 /nfs/dbraw/zinc/65/74/84/838657484.db2.gz ZTLQBLKPJKFHLR-OLZOCXBDSA-N 1 3 384.320 3.850 20 0 GHADHO CC(C)[C@H]1N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC12CCCCC2 ZINC000458131381 844352730 /nfs/dbraw/zinc/35/27/30/844352730.db2.gz QBWROKBIAVYUIK-OAQYLSRUSA-N 1 3 390.616 3.545 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000580463584 839602370 /nfs/dbraw/zinc/60/23/70/839602370.db2.gz SNQAAYUMWWFSMF-DHIUTWEWSA-N 1 3 383.580 3.635 20 0 GHADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCN1Cc1ccccc1 ZINC000581210513 840855204 /nfs/dbraw/zinc/85/52/04/840855204.db2.gz NNYDEMKJIQHBDE-SQJMNOBHSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@H](NCc2ccccc2CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000581210513 840855208 /nfs/dbraw/zinc/85/52/08/840855208.db2.gz NNYDEMKJIQHBDE-SQJMNOBHSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@H](NCc2ccccc2CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000581210513 840855212 /nfs/dbraw/zinc/85/52/12/840855212.db2.gz NNYDEMKJIQHBDE-SQJMNOBHSA-N 1 3 393.575 3.662 20 0 GHADHO CC(C)[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000623564667 861210178 /nfs/dbraw/zinc/21/01/78/861210178.db2.gz MWZKPEMANNMBMD-GOTSBHOMSA-N 1 3 398.595 3.729 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000656787639 841927170 /nfs/dbraw/zinc/92/71/70/841927170.db2.gz PYSYXQUJPOTWPL-SLFFLAALSA-N 1 3 395.547 3.675 20 0 GHADHO Brc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166356183 842017172 /nfs/dbraw/zinc/01/71/72/842017172.db2.gz LKCVHIRASSWPGS-RBUKOAKNSA-N 1 3 393.369 3.714 20 0 GHADHO Brc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166356183 842017178 /nfs/dbraw/zinc/01/71/78/842017178.db2.gz LKCVHIRASSWPGS-RBUKOAKNSA-N 1 3 393.369 3.714 20 0 GHADHO CC(C)[NH+]1CCC(N[C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000236820251 842268226 /nfs/dbraw/zinc/26/82/26/842268226.db2.gz SNMGMLJVVQNGRX-AWEZNQCLSA-N 1 3 382.346 3.629 20 0 GHADHO Cc1c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000178035867 861297109 /nfs/dbraw/zinc/29/71/09/861297109.db2.gz BMLULSNDCXNUES-KURKYZTESA-N 1 3 388.531 3.860 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662387218 843183410 /nfs/dbraw/zinc/18/34/10/843183410.db2.gz DEXPGIQDLZJDIL-INIZCTEOSA-N 1 3 383.561 3.698 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662387218 843183416 /nfs/dbraw/zinc/18/34/16/843183416.db2.gz DEXPGIQDLZJDIL-INIZCTEOSA-N 1 3 383.561 3.698 20 0 GHADHO CCN(CCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000512241874 843193741 /nfs/dbraw/zinc/19/37/41/843193741.db2.gz HQVXUZQMLJPFMN-HXUWFJFHSA-N 1 3 383.502 3.859 20 0 GHADHO CCN(CCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000512241874 843193745 /nfs/dbraw/zinc/19/37/45/843193745.db2.gz HQVXUZQMLJPFMN-HXUWFJFHSA-N 1 3 383.502 3.859 20 0 GHADHO CN(C)C[C@H](NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccc(Cl)cc1 ZINC000662533112 843396479 /nfs/dbraw/zinc/39/64/79/843396479.db2.gz ZNUPYLNJCOFXTR-RXVVDRJESA-N 1 3 385.939 3.751 20 0 GHADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc2c1CNC2 ZINC000662655583 843495425 /nfs/dbraw/zinc/49/54/25/843495425.db2.gz JZUMZLGNWOGXIV-UHFFFAOYSA-N 1 3 385.939 3.927 20 0 GHADHO CC1CCN([C@@H](CNC(=O)c2cccc3c2CC[NH2+]C3)c2ccccc2)CC1 ZINC000662693710 843523359 /nfs/dbraw/zinc/52/33/59/843523359.db2.gz WCRGWOZRGVOBNM-QHCPKHFHSA-N 1 3 377.532 3.535 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000536235464 844007935 /nfs/dbraw/zinc/00/79/35/844007935.db2.gz WYWFXOWXGSORKJ-VXKWHMMOSA-N 1 3 386.584 3.585 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000536235464 844007944 /nfs/dbraw/zinc/00/79/44/844007944.db2.gz WYWFXOWXGSORKJ-VXKWHMMOSA-N 1 3 386.584 3.585 20 0 GHADHO Cc1ccnc(N)c1CNc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000894115168 845240157 /nfs/dbraw/zinc/24/01/57/845240157.db2.gz KRTRYKIPTVNXED-HNNXBMFYSA-N 1 3 385.487 3.536 20 0 GHADHO Cc1ccnc(N)c1CNc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000894115168 845240172 /nfs/dbraw/zinc/24/01/72/845240172.db2.gz KRTRYKIPTVNXED-HNNXBMFYSA-N 1 3 385.487 3.536 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000236834752 845258535 /nfs/dbraw/zinc/25/85/35/845258535.db2.gz QYQONHFOOHLAHW-MSOLQXFVSA-N 1 3 397.485 3.594 20 0 GHADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433957853 845667732 /nfs/dbraw/zinc/66/77/32/845667732.db2.gz LEBUUKNAJZGOPV-NRFANRHFSA-N 1 3 378.605 3.547 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421337215 846169756 /nfs/dbraw/zinc/16/97/56/846169756.db2.gz YKWZHOSOKXAMOT-FQEVSTJZSA-N 1 3 395.595 3.781 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3cccc(C4CC4)c3)c2)C1 ZINC000421365217 846178579 /nfs/dbraw/zinc/17/85/79/846178579.db2.gz QLRBTDDSMVZWTQ-HSZRJFAPSA-N 1 3 377.532 3.551 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc(C4CC4)c3)c2)C1 ZINC000421365217 846178587 /nfs/dbraw/zinc/17/85/87/846178587.db2.gz QLRBTDDSMVZWTQ-HSZRJFAPSA-N 1 3 377.532 3.551 20 0 GHADHO CCC[C@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501068499 846600004 /nfs/dbraw/zinc/60/00/04/846600004.db2.gz MBCMWMIFOQUQIJ-QHCPKHFHSA-N 1 3 394.563 3.887 20 0 GHADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000501663270 847083410 /nfs/dbraw/zinc/08/34/10/847083410.db2.gz AUSQKLSTLHGSRZ-RTWAWAEBSA-N 1 3 397.567 3.744 20 0 GHADHO Cc1cc(Br)ccc1C[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501899754 847308272 /nfs/dbraw/zinc/30/82/72/847308272.db2.gz LWXNMBJSRBDBGC-UHFFFAOYSA-N 1 3 382.390 3.605 20 0 GHADHO Cc1cc(Br)ccc1C[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501899754 847308284 /nfs/dbraw/zinc/30/82/84/847308284.db2.gz LWXNMBJSRBDBGC-UHFFFAOYSA-N 1 3 382.390 3.605 20 0 GHADHO C[N@@H+]1CCC[C@H]1CCN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299305 847618209 /nfs/dbraw/zinc/61/82/09/847618209.db2.gz JKJGERFDLXUACO-SFHVURJKSA-N 1 3 381.358 3.914 20 0 GHADHO C[N@H+]1CCC[C@H]1CCN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299305 847618215 /nfs/dbraw/zinc/61/82/15/847618215.db2.gz JKJGERFDLXUACO-SFHVURJKSA-N 1 3 381.358 3.914 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422734767 847789491 /nfs/dbraw/zinc/78/94/91/847789491.db2.gz TZGTWMZCCSKKFY-DNVCBOLYSA-N 1 3 392.469 3.793 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422715266 847791784 /nfs/dbraw/zinc/79/17/84/847791784.db2.gz RVCZFSYGODMWIB-ZAAXVRCTSA-N 1 3 388.353 3.576 20 0 GHADHO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCCCC2)cc1 ZINC000422758092 847801838 /nfs/dbraw/zinc/80/18/38/847801838.db2.gz KFAZLMUQQMDRSE-UZUQRXQVSA-N 1 3 382.552 3.735 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000422792983 847838634 /nfs/dbraw/zinc/83/86/34/847838634.db2.gz FJVWUSRHXAUOQF-STQMWFEESA-N 1 3 378.314 3.729 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000422832330 847845661 /nfs/dbraw/zinc/84/56/61/847845661.db2.gz FQFMCYAMXFIVQD-OLZOCXBDSA-N 1 3 378.314 3.729 20 0 GHADHO CCCC(=O)Nc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422876351 847863429 /nfs/dbraw/zinc/86/34/29/847863429.db2.gz GFYYIBYLCZBYTM-OFNKIYASSA-N 1 3 379.504 3.771 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423046751 847941714 /nfs/dbraw/zinc/94/17/14/847941714.db2.gz FQRHCDPUWVSWCG-YJYMSZOUSA-N 1 3 380.458 3.821 20 0 GHADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000423062295 847957756 /nfs/dbraw/zinc/95/77/56/847957756.db2.gz SVEVOQHKFXZVFF-KZNAEPCWSA-N 1 3 386.433 3.623 20 0 GHADHO Brc1cccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423091128 847975776 /nfs/dbraw/zinc/97/57/76/847975776.db2.gz WSIUYQIJCXBESW-GDAAHCPNSA-N 1 3 378.358 3.538 20 0 GHADHO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583263667 849467409 /nfs/dbraw/zinc/46/74/09/849467409.db2.gz MUTURFILBCYWHR-AEGPPILISA-N 1 3 380.414 3.748 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000155338794 849506430 /nfs/dbraw/zinc/50/64/30/849506430.db2.gz FPSMMMYTIZSXQO-RBUKOAKNSA-N 1 3 390.597 3.545 20 0 GHADHO CCN1CCO[C@@H](CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000423100788 849743963 /nfs/dbraw/zinc/74/39/63/849743963.db2.gz HMTGSTUIGCIHIM-SBFWRKJZSA-N 1 3 379.548 3.531 20 0 GHADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423130187 849751992 /nfs/dbraw/zinc/75/19/92/849751992.db2.gz MVIXDMYDYGNWIS-FBEWHJACSA-N 1 3 388.939 3.940 20 0 GHADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)COCc1ccc(Cl)cc1 ZINC000583376612 849752922 /nfs/dbraw/zinc/75/29/22/849752922.db2.gz WLBFRFYHYKCEHQ-JOCHJYFZSA-N 1 3 388.939 3.603 20 0 GHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503912910 849773428 /nfs/dbraw/zinc/77/34/28/849773428.db2.gz TXPFQJQXALOYIV-HFAKWTLXSA-N 1 3 392.712 3.763 20 0 GHADHO COC[C@@H](CCC[NH3+])NC1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000423144338 849775129 /nfs/dbraw/zinc/77/51/29/849775129.db2.gz GTANFAVYMQYESF-OAHLLOKOSA-N 1 3 377.529 3.980 20 0 GHADHO [NH3+][C@@H]1CCCCC[C@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423183013 849775926 /nfs/dbraw/zinc/77/59/26/849775926.db2.gz MHBORDZYBDRAQZ-RTBURBONSA-N 1 3 380.374 3.663 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000423213528 849794839 /nfs/dbraw/zinc/79/48/39/849794839.db2.gz NKNGYIOWWFFENS-NWDGAFQWSA-N 1 3 377.838 3.665 20 0 GHADHO Cc1c([C@H](C)NC[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423455868 849932870 /nfs/dbraw/zinc/93/28/70/849932870.db2.gz FSTDELFLLGERGV-BJJXKVORSA-N 1 3 392.345 3.506 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)N1CCCCC1 ZINC000504206781 849958582 /nfs/dbraw/zinc/95/85/82/849958582.db2.gz AVGOTSOHMBJYOX-QFIPXVFZSA-N 1 3 386.584 3.666 20 0 GHADHO [NH3+]C1(CN[C@H](c2ncc[nH]2)C2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000423553417 849979894 /nfs/dbraw/zinc/97/98/94/849979894.db2.gz GVQRGWFKIDIUJK-NRFANRHFSA-N 1 3 381.568 3.614 20 0 GHADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760972 850058767 /nfs/dbraw/zinc/05/87/67/850058767.db2.gz ZNQOBJMOVVQAGR-LPHOPBHVSA-N 1 3 397.485 3.820 20 0 GHADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760972 850058771 /nfs/dbraw/zinc/05/87/71/850058771.db2.gz ZNQOBJMOVVQAGR-LPHOPBHVSA-N 1 3 397.485 3.820 20 0 GHADHO Clc1ccc(Cl)c(-c2csc(CNCCCN3CC[NH2+]CC3)n2)c1 ZINC000414777130 850275920 /nfs/dbraw/zinc/27/59/20/850275920.db2.gz GJYKYMMRTHZWFF-UHFFFAOYSA-N 1 3 385.364 3.502 20 0 GHADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000424301109 850343214 /nfs/dbraw/zinc/34/32/14/850343214.db2.gz XAFFQIAXPFKYLF-ZIAGYGMSSA-N 1 3 384.351 3.635 20 0 GHADHO CCCC[C@H](CN)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000414807381 850631151 /nfs/dbraw/zinc/63/11/51/850631151.db2.gz CSMMJLKYHLLQDX-LLVKDONJSA-N 1 3 381.261 3.666 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167966130 850824980 /nfs/dbraw/zinc/82/49/80/850824980.db2.gz QTVMSFZPPCLMIH-PANBIXPWSA-N 1 3 377.573 3.627 20 0 GHADHO CC(C)(C)N1CCc2nc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)sc2C1 ZINC000425075490 851044618 /nfs/dbraw/zinc/04/46/18/851044618.db2.gz DQUCIJQTXBJPSI-MRXNPFEDSA-N 1 3 376.570 3.645 20 0 GHADHO CC(C)(C)N1CCc2nc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)sc2C1 ZINC000425075490 851044628 /nfs/dbraw/zinc/04/46/28/851044628.db2.gz DQUCIJQTXBJPSI-MRXNPFEDSA-N 1 3 376.570 3.645 20 0 GHADHO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1-n1cncn1 ZINC000569979433 851150247 /nfs/dbraw/zinc/15/02/47/851150247.db2.gz SZLCOFOFJPWASH-XZOQPEGZSA-N 1 3 387.531 3.530 20 0 GHADHO Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1-n1cncn1 ZINC000569979433 851150253 /nfs/dbraw/zinc/15/02/53/851150253.db2.gz SZLCOFOFJPWASH-XZOQPEGZSA-N 1 3 387.531 3.530 20 0 GHADHO O=C(Nc1ccccc1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167968838 851307269 /nfs/dbraw/zinc/30/72/69/851307269.db2.gz VTDUGWGXYKKCLS-FRIKZZABSA-N 1 3 382.552 3.678 20 0 GHADHO COc1cc(CNCc2ccc(C[NH+](C)C)cc2)ccc1OCC(F)(F)F ZINC000101589710 851707811 /nfs/dbraw/zinc/70/78/11/851707811.db2.gz YMYLXCRFILNCMO-UHFFFAOYSA-N 1 3 382.426 3.988 20 0 GHADHO CC(C)(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167975672 851825655 /nfs/dbraw/zinc/82/56/55/851825655.db2.gz TZTDHQBNGGYYLF-YRMMNHGISA-N 1 3 375.601 3.845 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H](C)CN(C)C ZINC000425944561 852000383 /nfs/dbraw/zinc/00/03/83/852000383.db2.gz XPLIKYNADIHLOZ-NWDGAFQWSA-N 1 3 379.854 3.863 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC[C@H](C)C[NH+](C)C ZINC000425944561 852000396 /nfs/dbraw/zinc/00/03/96/852000396.db2.gz XPLIKYNADIHLOZ-NWDGAFQWSA-N 1 3 379.854 3.863 20 0 GHADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438341260 852288049 /nfs/dbraw/zinc/28/80/49/852288049.db2.gz AQUZWDASPXEPBF-LJQANCHMSA-N 1 3 392.613 3.618 20 0 GHADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438341260 852288058 /nfs/dbraw/zinc/28/80/58/852288058.db2.gz AQUZWDASPXEPBF-LJQANCHMSA-N 1 3 392.613 3.618 20 0 GHADHO CCN1CCN(c2ccccc2C[N@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000506278331 852561147 /nfs/dbraw/zinc/56/11/47/852561147.db2.gz CJJVILCGHYZGMG-UHFFFAOYSA-N 1 3 377.532 3.823 20 0 GHADHO CCN1CCN(c2ccccc2C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000506278331 852561150 /nfs/dbraw/zinc/56/11/50/852561150.db2.gz CJJVILCGHYZGMG-UHFFFAOYSA-N 1 3 377.532 3.823 20 0 GHADHO Cc1ccc(CN(CCO)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000180846680 862372051 /nfs/dbraw/zinc/37/20/51/862372051.db2.gz WBYSJSATMCKWOA-UHFFFAOYSA-N 1 3 381.564 3.520 20 0 GHADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000489901798 852635185 /nfs/dbraw/zinc/63/51/85/852635185.db2.gz XUNVOULHCZSKEO-PMACEKPBSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000489901798 852635192 /nfs/dbraw/zinc/63/51/92/852635192.db2.gz XUNVOULHCZSKEO-PMACEKPBSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490765443 853243128 /nfs/dbraw/zinc/24/31/28/853243128.db2.gz BBEZJPFKCKRGBJ-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490765443 853243137 /nfs/dbraw/zinc/24/31/37/853243137.db2.gz BBEZJPFKCKRGBJ-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO CCOc1ccc(Cl)c(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000519616864 853268587 /nfs/dbraw/zinc/26/85/87/853268587.db2.gz QQPNXWROTGQBSR-UHFFFAOYSA-N 1 3 393.959 3.874 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000437780555 853502670 /nfs/dbraw/zinc/50/26/70/853502670.db2.gz VSFZRUAFAXSMBU-BHIFYINESA-N 1 3 384.568 3.528 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000437780555 853502677 /nfs/dbraw/zinc/50/26/77/853502677.db2.gz VSFZRUAFAXSMBU-BHIFYINESA-N 1 3 384.568 3.528 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000163932825 853629247 /nfs/dbraw/zinc/62/92/47/853629247.db2.gz MPTQQQXTIDYYFO-LJQANCHMSA-N 1 3 386.971 3.984 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998534 853649463 /nfs/dbraw/zinc/64/94/63/853649463.db2.gz ICTZAUNZQPDNJA-INDWIESVSA-N 1 3 381.539 3.944 20 0 GHADHO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(CC2CCCCC2)CC1 ZINC000520039915 853774141 /nfs/dbraw/zinc/77/41/41/853774141.db2.gz ITEMFVGFBVUQIG-UHFFFAOYSA-N 1 3 383.580 3.623 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000520067728 853804447 /nfs/dbraw/zinc/80/44/47/853804447.db2.gz DMQDIDLLGLZFGR-QFIPXVFZSA-N 1 3 388.600 3.751 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000520067728 853804450 /nfs/dbraw/zinc/80/44/50/853804450.db2.gz DMQDIDLLGLZFGR-QFIPXVFZSA-N 1 3 388.600 3.751 20 0 GHADHO CCn1c2ccccc2c2cc(C[NH2+]CCN3CCN(C)C(C)(C)C3)ccc21 ZINC000441366398 854149087 /nfs/dbraw/zinc/14/90/87/854149087.db2.gz DOTCRCZOXMMCQS-UHFFFAOYSA-N 1 3 378.564 3.930 20 0 GHADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000571789563 854156406 /nfs/dbraw/zinc/15/64/06/854156406.db2.gz RIAUZCJGKLLFGU-GVDBMIGSSA-N 1 3 394.357 3.596 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cn3ccc(Br)cc3n2)C1 ZINC000520462937 855026819 /nfs/dbraw/zinc/02/68/19/855026819.db2.gz IIGFCWNWLZUELZ-HZPDHXFCSA-N 1 3 393.373 3.945 20 0 GHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCCO2 ZINC000180998149 862711054 /nfs/dbraw/zinc/71/10/54/862711054.db2.gz DKFQISBPVMJLSL-QFIPXVFZSA-N 1 3 395.547 3.598 20 0 GHADHO Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180997907 862711301 /nfs/dbraw/zinc/71/13/01/862711301.db2.gz HOQTVTPXOREJKW-QGZVFWFLSA-N 1 3 379.504 3.883 20 0 GHADHO CCCN(C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000520610124 855787545 /nfs/dbraw/zinc/78/75/45/855787545.db2.gz VQOAHBWIZWRGRS-DENIHFKCSA-N 1 3 386.584 3.555 20 0 GHADHO CCCN(C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000520610124 855787552 /nfs/dbraw/zinc/78/75/52/855787552.db2.gz VQOAHBWIZWRGRS-DENIHFKCSA-N 1 3 386.584 3.555 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000520620350 855807029 /nfs/dbraw/zinc/80/70/29/855807029.db2.gz ZLVUTSUBGARQFS-DHIUTWEWSA-N 1 3 398.595 3.792 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c4ncccc34)CC2)CC1 ZINC000573134400 855856058 /nfs/dbraw/zinc/85/60/58/855856058.db2.gz IHFSOAWMKSJXAI-UHFFFAOYSA-N 1 3 380.536 3.678 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000765889268 855909288 /nfs/dbraw/zinc/90/92/88/855909288.db2.gz YKYIEWBJWNYVBN-OZRWQMGGSA-N 1 3 398.595 3.603 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000465790179 856042798 /nfs/dbraw/zinc/04/27/98/856042798.db2.gz SLUMZOHOWSXSHE-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OCC1CC1 ZINC000573526493 856272354 /nfs/dbraw/zinc/27/23/54/856272354.db2.gz IBBYXODKXDEKKT-UHFFFAOYSA-N 1 3 379.976 3.587 20 0 GHADHO C[C@H]1CC([NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168008841 856370676 /nfs/dbraw/zinc/37/06/76/856370676.db2.gz GBVUBSXICDGODD-ROUUACIJSA-N 1 3 386.561 3.621 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)c2cccs2)CC1 ZINC000508033991 856812572 /nfs/dbraw/zinc/81/25/72/856812572.db2.gz CIRFNXKMRQDGDS-SFHVURJKSA-N 1 3 392.613 3.552 20 0 GHADHO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1OCC ZINC000181415028 862868015 /nfs/dbraw/zinc/86/80/15/862868015.db2.gz BEZDMHAYFHUROI-YYWHXJBOSA-N 1 3 390.568 3.903 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000181414620 862868606 /nfs/dbraw/zinc/86/86/06/862868606.db2.gz LFUYCEICXPVSLX-JVPBZIDWSA-N 1 3 381.358 3.868 20 0 GHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1cccc(-n2cnnn2)c1 ZINC000157003153 857188049 /nfs/dbraw/zinc/18/80/49/857188049.db2.gz KXUXNHXTJLQELI-LJQANCHMSA-N 1 3 390.535 3.745 20 0 GHADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000486003596 857340584 /nfs/dbraw/zinc/34/05/84/857340584.db2.gz MMQBUMAWXWGHET-UHFFFAOYSA-N 1 3 383.561 3.592 20 0 GHADHO C[C@H](NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000672658226 857552977 /nfs/dbraw/zinc/55/29/77/857552977.db2.gz UKKTXTWRGDVDOA-AVRDEDQJSA-N 1 3 398.551 3.830 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786984 857613306 /nfs/dbraw/zinc/61/33/06/857613306.db2.gz PEGHMNNOBWSPRI-FPOVZHCZSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786984 857613308 /nfs/dbraw/zinc/61/33/08/857613308.db2.gz PEGHMNNOBWSPRI-FPOVZHCZSA-N 1 3 375.520 3.830 20 0 GHADHO COc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000486363594 857676570 /nfs/dbraw/zinc/67/65/70/857676570.db2.gz ZVZUSZRSUXAQQF-PXNSSMCTSA-N 1 3 384.520 3.713 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000065466914 857801155 /nfs/dbraw/zinc/80/11/55/857801155.db2.gz HNTOFEZDOUKANE-QHCPKHFHSA-N 1 3 396.579 3.939 20 0 GHADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccccc3CN(C)C)cc2)C1 ZINC000486519448 857816188 /nfs/dbraw/zinc/81/61/88/857816188.db2.gz MZNFLHQERDXJAE-SFHVURJKSA-N 1 3 381.520 3.721 20 0 GHADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccccc3CN(C)C)cc2)C1 ZINC000486519448 857816193 /nfs/dbraw/zinc/81/61/93/857816193.db2.gz MZNFLHQERDXJAE-SFHVURJKSA-N 1 3 381.520 3.721 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000672884647 857816647 /nfs/dbraw/zinc/81/66/47/857816647.db2.gz QVMPFVWDQMKBGD-AVRDEDQJSA-N 1 3 388.600 3.517 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466032468 857921575 /nfs/dbraw/zinc/92/15/75/857921575.db2.gz AOMIAUQWYRTBBV-CEMLEFRQSA-N 1 3 386.584 3.555 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466032468 857921587 /nfs/dbraw/zinc/92/15/87/857921587.db2.gz AOMIAUQWYRTBBV-CEMLEFRQSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443065055 858333587 /nfs/dbraw/zinc/33/35/87/858333587.db2.gz ZIJYHYJQNDGDTQ-MOPGFXCFSA-N 1 3 381.520 3.653 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000067381493 858545767 /nfs/dbraw/zinc/54/57/67/858545767.db2.gz QHARNGZYYGSHGL-QFIPXVFZSA-N 1 3 382.552 3.583 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000522078150 858589057 /nfs/dbraw/zinc/58/90/57/858589057.db2.gz NNHNAFOWBBCCHD-SELNLUPBSA-N 1 3 398.595 3.543 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000522078150 858589061 /nfs/dbraw/zinc/58/90/61/858589061.db2.gz NNHNAFOWBBCCHD-SELNLUPBSA-N 1 3 398.595 3.543 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000474044026 858620842 /nfs/dbraw/zinc/62/08/42/858620842.db2.gz HDWFGWWKFSTCOO-XMMPIXPASA-N 1 3 393.575 3.955 20 0 GHADHO C[C@@H]1CC([NH2+][C@H]2CCc3ccccc3NC2=O)C[C@@H](C)N1Cc1ccccc1 ZINC001168019415 858777185 /nfs/dbraw/zinc/77/71/85/858777185.db2.gz IWAGNXKPYGYCSU-PNCHPQGNSA-N 1 3 377.532 3.971 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000922971127 858908439 /nfs/dbraw/zinc/90/84/39/858908439.db2.gz HMMRIBVEOFMRPK-CTVDGRRTSA-N 1 3 399.579 3.828 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000922971127 858908448 /nfs/dbraw/zinc/90/84/48/858908448.db2.gz HMMRIBVEOFMRPK-CTVDGRRTSA-N 1 3 399.579 3.828 20 0 GHADHO C[C@@H](NC(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000443597152 859025982 /nfs/dbraw/zinc/02/59/82/859025982.db2.gz YMJPWUIPHQBFIB-MOPGFXCFSA-N 1 3 389.559 3.979 20 0 GHADHO C[C@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)[C@H]1CCCN(C2CCC2)C1 ZINC000185738169 859123298 /nfs/dbraw/zinc/12/32/98/859123298.db2.gz WGXDEZLZLDBSLE-FPOVZHCZSA-N 1 3 396.583 3.753 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000443653134 859188139 /nfs/dbraw/zinc/18/81/39/859188139.db2.gz LWAVHJJKNZBRNX-IPMKNSEASA-N 1 3 392.613 3.503 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000443653134 859188150 /nfs/dbraw/zinc/18/81/50/859188150.db2.gz LWAVHJJKNZBRNX-IPMKNSEASA-N 1 3 392.613 3.503 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3cn(C)nc3C(C)(C)C)C2)ccn1 ZINC000856558219 881424686 /nfs/dbraw/zinc/42/46/86/881424686.db2.gz CWUGDNYKMPTCHS-NRFANRHFSA-N 1 3 399.583 3.606 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3cn(C)nc3C(C)(C)C)C2)ccn1 ZINC000856558219 881424693 /nfs/dbraw/zinc/42/46/93/881424693.db2.gz CWUGDNYKMPTCHS-NRFANRHFSA-N 1 3 399.583 3.606 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000483766938 859607055 /nfs/dbraw/zinc/60/70/55/859607055.db2.gz UYWVCQVRQJWMAL-GHTZIAJQSA-N 1 3 384.568 3.528 20 0 GHADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484152148 859839121 /nfs/dbraw/zinc/83/91/21/859839121.db2.gz OVNUWXJJFQCVRA-TUACAJSNSA-N 1 3 380.532 3.545 20 0 GHADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484152148 859839124 /nfs/dbraw/zinc/83/91/24/859839124.db2.gz OVNUWXJJFQCVRA-TUACAJSNSA-N 1 3 380.532 3.545 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)CC1 ZINC000484225557 859895375 /nfs/dbraw/zinc/89/53/75/859895375.db2.gz YHRJWYJCCLTYAV-KORDQABASA-N 1 3 398.595 3.726 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000484225557 859895382 /nfs/dbraw/zinc/89/53/82/859895382.db2.gz YHRJWYJCCLTYAV-KORDQABASA-N 1 3 398.595 3.726 20 0 GHADHO CCC[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)c1ccccc1 ZINC000727309622 860040953 /nfs/dbraw/zinc/04/09/53/860040953.db2.gz DWVHMXBIYCGJLL-HSZRJFAPSA-N 1 3 394.563 3.898 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2c[nH]c(=O)c3ccccc23)CC1 ZINC000922493831 860089409 /nfs/dbraw/zinc/08/94/09/860089409.db2.gz OSYXIWVNJMXRHL-UHFFFAOYSA-N 1 3 390.531 3.762 20 0 GHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000474602806 860447224 /nfs/dbraw/zinc/44/72/24/860447224.db2.gz UIBOKAGKPHRAOK-OKYOBFRVSA-N 1 3 378.557 3.675 20 0 GHADHO COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n2c1CCCC2 ZINC000598639538 860467999 /nfs/dbraw/zinc/46/79/99/860467999.db2.gz TWNITSFHOKLCDC-UYAOXDASSA-N 1 3 395.547 3.611 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)C[C@H](C)O1 ZINC000172064193 863148342 /nfs/dbraw/zinc/14/83/42/863148342.db2.gz FVTGXMHQEZLAPY-IRXDYDNUSA-N 1 3 390.959 3.720 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)[C@@H](C)C1 ZINC000624226088 863193739 /nfs/dbraw/zinc/19/37/39/863193739.db2.gz JQDJGBJHYJGFRV-HQRMLTQVSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)[C@@H](C)C1 ZINC000624226088 863193745 /nfs/dbraw/zinc/19/37/45/863193745.db2.gz JQDJGBJHYJGFRV-HQRMLTQVSA-N 1 3 397.966 3.784 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552291 863298489 /nfs/dbraw/zinc/29/84/89/863298489.db2.gz RRNMCZPKTFWTSY-IEBWSBKVSA-N 1 3 399.510 3.856 20 0 GHADHO CCC1(CC)CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000189182633 881669520 /nfs/dbraw/zinc/66/95/20/881669520.db2.gz HCNSZZXAAYRODT-UHFFFAOYSA-N 1 3 378.605 3.547 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606690728 863783497 /nfs/dbraw/zinc/78/34/97/863783497.db2.gz KMEYPDRURCRUMS-PKTZIBPZSA-N 1 3 398.595 3.874 20 0 GHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+](C)C ZINC000554219334 863918880 /nfs/dbraw/zinc/91/88/80/863918880.db2.gz VOBHURSWKWHIBO-NYVOZVTQSA-N 1 3 382.552 3.588 20 0 GHADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000607167719 864131120 /nfs/dbraw/zinc/13/11/20/864131120.db2.gz HNTYRDFZSGALHQ-UHFFFAOYSA-N 1 3 395.366 3.724 20 0 GHADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000475114258 864235117 /nfs/dbraw/zinc/23/51/17/864235117.db2.gz AIFOIPLGLREFBP-UHFFFAOYSA-N 1 3 378.442 3.951 20 0 GHADHO CN1CCC2(CCC[N@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000475114258 864235133 /nfs/dbraw/zinc/23/51/33/864235133.db2.gz AIFOIPLGLREFBP-UHFFFAOYSA-N 1 3 378.442 3.951 20 0 GHADHO C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)c1cc2ccccc2s1 ZINC000475155329 864318783 /nfs/dbraw/zinc/31/87/83/864318783.db2.gz IQRLDPZAHOGXMR-LPHOPBHVSA-N 1 3 381.545 3.971 20 0 GHADHO CC(C)c1ccc(/C=C\CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000494478754 881775895 /nfs/dbraw/zinc/77/58/95/881775895.db2.gz IREJSJUDCXNUIX-PLNGDYQASA-N 1 3 383.580 3.888 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CCCc3nc(C)sc32)c1 ZINC000163643614 864547471 /nfs/dbraw/zinc/54/74/71/864547471.db2.gz IATGLYGAQCTBJJ-IBGZPJMESA-N 1 3 389.565 3.576 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CCCc3nc(C)sc32)c1 ZINC000163643614 864547476 /nfs/dbraw/zinc/54/74/76/864547476.db2.gz IATGLYGAQCTBJJ-IBGZPJMESA-N 1 3 389.565 3.576 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC(N3CCCOC3=O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168061157 864766047 /nfs/dbraw/zinc/76/60/47/864766047.db2.gz ZELWHNVIMHZKBF-HATOLVCRSA-N 1 3 385.552 3.735 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC(N3CCCOC3=O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168061157 864766057 /nfs/dbraw/zinc/76/60/57/864766057.db2.gz ZELWHNVIMHZKBF-HATOLVCRSA-N 1 3 385.552 3.735 20 0 GHADHO C[C@H]1CC(N2CCC(N3CCCOC3=O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061159 864766457 /nfs/dbraw/zinc/76/64/57/864766457.db2.gz ZELWHNVIMHZKBF-OALUTQOASA-N 1 3 385.552 3.735 20 0 GHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc3ncccc3c2)CC1 ZINC000608070447 864960780 /nfs/dbraw/zinc/96/07/80/864960780.db2.gz HMNVKWCDXOESEZ-UHFFFAOYSA-N 1 3 380.923 3.930 20 0 GHADHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480620389 864983690 /nfs/dbraw/zinc/98/36/90/864983690.db2.gz ZMIJLXMVBWALAU-ZJSXRUAMSA-N 1 3 381.564 3.560 20 0 GHADHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480620389 864983696 /nfs/dbraw/zinc/98/36/96/864983696.db2.gz ZMIJLXMVBWALAU-ZJSXRUAMSA-N 1 3 381.564 3.560 20 0 GHADHO Brc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)o1 ZINC000480660804 865057842 /nfs/dbraw/zinc/05/78/42/865057842.db2.gz HCFLXDRQBZKVEY-UHFFFAOYSA-N 1 3 392.341 3.734 20 0 GHADHO Brc1ccc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000480660804 865057860 /nfs/dbraw/zinc/05/78/60/865057860.db2.gz HCFLXDRQBZKVEY-UHFFFAOYSA-N 1 3 392.341 3.734 20 0 GHADHO C[NH+]1CCN(c2ccc(CNCc3ccc(-c4c(F)cccc4F)o3)cn2)CC1 ZINC000172036056 865465123 /nfs/dbraw/zinc/46/51/23/865465123.db2.gz MBDHVFXGOYVZBT-UHFFFAOYSA-N 1 3 398.457 3.661 20 0 GHADHO CN1CCN(c2ccc(C[NH2+]Cc3ccc(-c4c(F)cccc4F)o3)cn2)CC1 ZINC000172036056 865465125 /nfs/dbraw/zinc/46/51/25/865465125.db2.gz MBDHVFXGOYVZBT-UHFFFAOYSA-N 1 3 398.457 3.661 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000533986207 865885026 /nfs/dbraw/zinc/88/50/26/865885026.db2.gz NHBCYSZSOCGBCP-VAPSRWTKSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000533986207 865885040 /nfs/dbraw/zinc/88/50/40/865885040.db2.gz NHBCYSZSOCGBCP-VAPSRWTKSA-N 1 3 398.595 3.728 20 0 GHADHO COc1cc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1OCCO ZINC000481169230 865911991 /nfs/dbraw/zinc/91/19/91/865911991.db2.gz BUSMTAXWWJABPY-DXIQSLLYSA-N 1 3 398.547 3.628 20 0 GHADHO COc1cc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1OCCO ZINC000481169230 865911998 /nfs/dbraw/zinc/91/19/98/865911998.db2.gz BUSMTAXWWJABPY-DXIQSLLYSA-N 1 3 398.547 3.628 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)(N2CCCCC2)CC1 ZINC000534419987 866765534 /nfs/dbraw/zinc/76/55/34/866765534.db2.gz AEOFGHUWSZLVES-PWRODBHTSA-N 1 3 375.601 3.659 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553143620 866873566 /nfs/dbraw/zinc/87/35/66/866873566.db2.gz QCHHXGPHKKCSJP-XUZZJYLKSA-N 1 3 391.559 3.632 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553143620 866873575 /nfs/dbraw/zinc/87/35/75/866873575.db2.gz QCHHXGPHKKCSJP-XUZZJYLKSA-N 1 3 391.559 3.632 20 0 GHADHO C[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153635495 866996959 /nfs/dbraw/zinc/99/69/59/866996959.db2.gz HGEJKUAPGAVOHB-QGZVFWFLSA-N 1 3 382.483 3.803 20 0 GHADHO CCCCCN(CCCCC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000523308924 867043423 /nfs/dbraw/zinc/04/34/23/867043423.db2.gz URMGWYIAMHLQJM-UHFFFAOYSA-N 1 3 380.621 3.937 20 0 GHADHO C[C@@H](Cc1cccc(Cl)c1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000153783942 867076276 /nfs/dbraw/zinc/07/62/76/867076276.db2.gz JYVALSSPQYXNAF-SFHVURJKSA-N 1 3 391.987 3.585 20 0 GHADHO C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC[N@@H+]1C ZINC000444715546 867127923 /nfs/dbraw/zinc/12/79/23/867127923.db2.gz DGGGVJRBFXJYSG-RBBKRZOGSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC[N@H+]1C ZINC000444715546 867127931 /nfs/dbraw/zinc/12/79/31/867127931.db2.gz DGGGVJRBFXJYSG-RBBKRZOGSA-N 1 3 398.595 3.699 20 0 GHADHO CC(C)[NH+]1CCC(O)(CNCc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000532373933 882061926 /nfs/dbraw/zinc/06/19/26/882061926.db2.gz WAOZRMWOWIVBQC-UHFFFAOYSA-N 1 3 396.579 3.550 20 0 GHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc(-n3ccnc3)cc2)CC1 ZINC000742392800 867257154 /nfs/dbraw/zinc/25/71/54/867257154.db2.gz SGQSTIUSKWPMRJ-UHFFFAOYSA-N 1 3 395.938 3.567 20 0 GHADHO C[NH+]1CCC(O)(CN[C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000479294574 867528223 /nfs/dbraw/zinc/52/82/23/867528223.db2.gz UHDQUHNJWAWAQF-LJQANCHMSA-N 1 3 389.337 3.585 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479355519 867599713 /nfs/dbraw/zinc/59/97/13/867599713.db2.gz CZGFIZCYARZPRV-AUUYWEPGSA-N 1 3 398.364 3.655 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000155627786 867989418 /nfs/dbraw/zinc/98/94/18/867989418.db2.gz LQEVWXDBNZOTHH-YOEHRIQHSA-N 1 3 386.367 3.823 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)N(C)C)cc1 ZINC000523902542 868251825 /nfs/dbraw/zinc/25/18/25/868251825.db2.gz NBHVXDAYPWAZIN-VJBMBRPKSA-N 1 3 394.563 3.732 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)N(C)C)cc1 ZINC000523902542 868251843 /nfs/dbraw/zinc/25/18/43/868251843.db2.gz NBHVXDAYPWAZIN-VJBMBRPKSA-N 1 3 394.563 3.732 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000457467628 868310073 /nfs/dbraw/zinc/31/00/73/868310073.db2.gz CAKHELVAFVZKMW-RTBURBONSA-N 1 3 392.613 3.552 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000457467628 868310089 /nfs/dbraw/zinc/31/00/89/868310089.db2.gz CAKHELVAFVZKMW-RTBURBONSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446258120 869618641 /nfs/dbraw/zinc/61/86/41/869618641.db2.gz DJCRHGDLEJMXBH-LOODEUFTSA-N 1 3 385.552 3.532 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446258120 869618643 /nfs/dbraw/zinc/61/86/43/869618643.db2.gz DJCRHGDLEJMXBH-LOODEUFTSA-N 1 3 385.552 3.532 20 0 GHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@H]21 ZINC000539900489 869989824 /nfs/dbraw/zinc/98/98/24/869989824.db2.gz VLSJMWIQDJIOSX-SJLPKXTDSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@H]21 ZINC000539900489 869989828 /nfs/dbraw/zinc/98/98/28/869989828.db2.gz VLSJMWIQDJIOSX-SJLPKXTDSA-N 1 3 378.442 3.807 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248460128 870436984 /nfs/dbraw/zinc/43/69/84/870436984.db2.gz WGIVVRWNPRHXOR-JTHBVZDNSA-N 1 3 380.532 3.955 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248460128 870436995 /nfs/dbraw/zinc/43/69/95/870436995.db2.gz WGIVVRWNPRHXOR-JTHBVZDNSA-N 1 3 380.532 3.955 20 0 GHADHO Cc1nc2ccccc2n1CCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000463116569 870953665 /nfs/dbraw/zinc/95/36/65/870953665.db2.gz CVVBLFCPODRZQZ-AJSBUHFISA-N 1 3 384.568 3.699 20 0 GHADHO C[C@H]1C[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168872418 870956659 /nfs/dbraw/zinc/95/66/59/870956659.db2.gz MGYWDBRJKIFAEZ-PZJWPPBQSA-N 1 3 399.579 3.982 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169078752 871183542 /nfs/dbraw/zinc/18/35/42/871183542.db2.gz FWOXNYTUJRIPGE-WKCHPHFGSA-N 1 3 385.552 3.695 20 0 GHADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000539063542 871209940 /nfs/dbraw/zinc/20/99/40/871209940.db2.gz KNNHULGLEDUSEI-SLFFLAALSA-N 1 3 378.944 3.830 20 0 GHADHO CC1CC[NH+](Cc2ccc(NC(=O)CC3(N4CCOCC4)CCCC3)cc2)CC1 ZINC000525690528 871248060 /nfs/dbraw/zinc/24/80/60/871248060.db2.gz PCPUACZVZRIPIM-UHFFFAOYSA-N 1 3 399.579 3.892 20 0 GHADHO CCO[C@@H]1COCC[C@@H]1NC[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169410001 871457519 /nfs/dbraw/zinc/45/75/19/871457519.db2.gz TZZPNJHZRJMNDE-TZRRMPRUSA-N 1 3 382.548 3.686 20 0 GHADHO CCO[C@@H]1COCC[C@@H]1NC[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169410001 871457529 /nfs/dbraw/zinc/45/75/29/871457529.db2.gz TZZPNJHZRJMNDE-TZRRMPRUSA-N 1 3 382.548 3.686 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000552033160 871540546 /nfs/dbraw/zinc/54/05/46/871540546.db2.gz OUIFDNODAIXENJ-LJQANCHMSA-N 1 3 385.474 3.654 20 0 GHADHO CCc1ncc(CNCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)s1 ZINC000540601119 871673655 /nfs/dbraw/zinc/67/36/55/871673655.db2.gz WJGIKMBYRNUDKT-UHFFFAOYSA-N 1 3 398.498 3.766 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001169665014 871732982 /nfs/dbraw/zinc/73/29/82/871732982.db2.gz VAGWLCFSMGNYKG-HXUWFJFHSA-N 1 3 391.531 3.638 20 0 GHADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001169689680 871758921 /nfs/dbraw/zinc/75/89/21/871758921.db2.gz HVUJGLIQDDWBCJ-UNMCSNQZSA-N 1 3 376.504 3.840 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000552063165 871964091 /nfs/dbraw/zinc/96/40/91/871964091.db2.gz QTVHUYMRWGVNJY-ZJZGAYNASA-N 1 3 398.591 3.995 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182407846 872315622 /nfs/dbraw/zinc/31/56/22/872315622.db2.gz MHOXAFVCFXEGII-LJQANCHMSA-N 1 3 383.552 3.996 20 0 GHADHO Cc1nn(C)c2ncc(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc12 ZINC000552272834 872365556 /nfs/dbraw/zinc/36/55/56/872365556.db2.gz DCDFKECJCDHRQH-UHFFFAOYSA-N 1 3 389.547 3.765 20 0 GHADHO CCCn1nc(C)c(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000093844187 872448823 /nfs/dbraw/zinc/44/88/23/872448823.db2.gz LZODUGQQBCUCDL-HDICACEKSA-N 1 3 376.589 3.621 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CC2CCN(C(C)=O)CC2)cc1CN1CCCCC1 ZINC000182856670 872867527 /nfs/dbraw/zinc/86/75/27/872867527.db2.gz BCOYIXDWCCYTAQ-SFHVURJKSA-N 1 3 387.568 3.590 20 0 GHADHO N[C@@H](CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000448244536 873114880 /nfs/dbraw/zinc/11/48/80/873114880.db2.gz VJOSQMSCLULMFJ-NRFANRHFSA-N 1 3 394.519 3.530 20 0 GHADHO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191984171 882693139 /nfs/dbraw/zinc/69/31/39/882693139.db2.gz VTLWTLLHMJJVQN-BGYRXZFFSA-N 1 3 382.552 3.502 20 0 GHADHO Cc1ccc(O[C@H]2CCN(Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)nc1 ZINC000858012746 882719966 /nfs/dbraw/zinc/71/99/66/882719966.db2.gz LHFYYYRPWDIUPS-QFIPXVFZSA-N 1 3 394.563 3.574 20 0 GHADHO C[C@H](NC[C@@H](O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603573 873967095 /nfs/dbraw/zinc/96/70/95/873967095.db2.gz QRMLODSBBYHHEQ-NNMXDRDESA-N 1 3 388.596 3.966 20 0 GHADHO C[C@H](NC[C@@H](O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603573 873967104 /nfs/dbraw/zinc/96/71/04/873967104.db2.gz QRMLODSBBYHHEQ-NNMXDRDESA-N 1 3 388.596 3.966 20 0 GHADHO CC(C)[C@@H](CC1CCCC1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000460486455 882792977 /nfs/dbraw/zinc/79/29/77/882792977.db2.gz CVAYMOMZIAGIKC-OAQYLSRUSA-N 1 3 377.617 3.905 20 0 GHADHO CC(C)[C@@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913745 874513800 /nfs/dbraw/zinc/51/38/00/874513800.db2.gz WNWFTYNXYOFKIW-RBUKOAKNSA-N 1 3 383.939 3.709 20 0 GHADHO CC(C)[C@@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913745 874513813 /nfs/dbraw/zinc/51/38/13/874513813.db2.gz WNWFTYNXYOFKIW-RBUKOAKNSA-N 1 3 383.939 3.709 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449324165 874707666 /nfs/dbraw/zinc/70/76/66/874707666.db2.gz CXPOLQAHHUEYLJ-GOSISDBHSA-N 1 3 388.577 3.777 20 0 GHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449326362 874708668 /nfs/dbraw/zinc/70/86/68/874708668.db2.gz VAGNEOPKRJKWHB-UHFFFAOYSA-N 1 3 394.535 3.546 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccnc(OC(F)F)c2)CC1 ZINC000449313103 874719910 /nfs/dbraw/zinc/71/99/10/874719910.db2.gz UPGOWDRAFBGQAA-MRXNPFEDSA-N 1 3 375.463 3.868 20 0 GHADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494879 874928372 /nfs/dbraw/zinc/92/83/72/874928372.db2.gz HFVJFYFLEFDVQP-FQEVSTJZSA-N 1 3 383.536 3.507 20 0 GHADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494879 874928376 /nfs/dbraw/zinc/92/83/76/874928376.db2.gz HFVJFYFLEFDVQP-FQEVSTJZSA-N 1 3 383.536 3.507 20 0 GHADHO Fc1cc(CNC2CCN(c3cc[nH+]cc3)CC2)c(F)cc1Br ZINC000529664449 876484042 /nfs/dbraw/zinc/48/40/42/876484042.db2.gz SEBDWABFDYFDHB-UHFFFAOYSA-N 1 3 382.252 3.881 20 0 GHADHO COc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC(F)F ZINC000192920096 883046589 /nfs/dbraw/zinc/04/65/89/883046589.db2.gz UGMVXGLGHSEYSG-SFHVURJKSA-N 1 3 376.447 3.908 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836326 876953677 /nfs/dbraw/zinc/95/36/77/876953677.db2.gz MZGCZHJNIQQLSR-MSYCTHLASA-N 1 3 392.547 3.777 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836326 876953686 /nfs/dbraw/zinc/95/36/86/876953686.db2.gz MZGCZHJNIQQLSR-MSYCTHLASA-N 1 3 392.547 3.777 20 0 GHADHO O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000850584661 877057852 /nfs/dbraw/zinc/05/78/52/877057852.db2.gz SZQFHGYPYIIXMR-BMQTXXJKSA-N 1 3 390.449 3.923 20 0 GHADHO Cc1ccc2nc(CNCc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)cn2c1 ZINC000551573759 877462232 /nfs/dbraw/zinc/46/22/32/877462232.db2.gz BPNFANHXPTXLFV-RTBURBONSA-N 1 3 378.520 3.542 20 0 GHADHO C[C@@H]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000175758934 877891407 /nfs/dbraw/zinc/89/14/07/877891407.db2.gz UIGZDWBWFGUMQR-LJQANCHMSA-N 1 3 386.584 3.555 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000245475748 877956135 /nfs/dbraw/zinc/95/61/35/877956135.db2.gz SEVXVKOFGGDFHR-DLBZAZTESA-N 1 3 379.976 3.753 20 0 GHADHO C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCN1Cc1ccccc1 ZINC000176013356 878037479 /nfs/dbraw/zinc/03/74/79/878037479.db2.gz NOHIHAATNWWXGN-HXUWFJFHSA-N 1 3 398.595 3.699 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000615775676 878108690 /nfs/dbraw/zinc/10/86/90/878108690.db2.gz JPMMPVFTWZGFSG-PKOBYXMFSA-N 1 3 380.602 3.552 20 0 GHADHO CN1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccccc1 ZINC000245612408 878202315 /nfs/dbraw/zinc/20/23/15/878202315.db2.gz BZEHIXAWUKCRNC-XZOQPEGZSA-N 1 3 392.547 3.527 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245630591 878247747 /nfs/dbraw/zinc/24/77/47/878247747.db2.gz HTRUJHFRBRRSMA-GOTSBHOMSA-N 1 3 394.563 3.725 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852753451 878579063 /nfs/dbraw/zinc/57/90/63/878579063.db2.gz BHCAWGNKZROXBA-CTNGQTDRSA-N 1 3 398.595 3.716 20 0 GHADHO C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000537954749 878579113 /nfs/dbraw/zinc/57/91/13/878579113.db2.gz SXKDZPJICUKYSH-DYESRHJHSA-N 1 3 399.510 3.612 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177601996 878773819 /nfs/dbraw/zinc/77/38/19/878773819.db2.gz JJKKSYLUNVSUAN-PKOBYXMFSA-N 1 3 375.582 3.656 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177601996 878773830 /nfs/dbraw/zinc/77/38/30/878773830.db2.gz JJKKSYLUNVSUAN-PKOBYXMFSA-N 1 3 375.582 3.656 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC001183283014 912427005 /nfs/dbraw/zinc/42/70/05/912427005.db2.gz YUIPQMMGMGASFB-SNMKPRNZSA-N 1 3 399.579 3.790 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCC34CCCCC4)CC2)CC1 ZINC000617108003 879447849 /nfs/dbraw/zinc/44/78/49/879447849.db2.gz IANOGZZCJHPZNX-NRFANRHFSA-N 1 3 375.601 3.802 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000531316887 879596286 /nfs/dbraw/zinc/59/62/86/879596286.db2.gz GIPUOIXZNYZIMQ-PMACEKPBSA-N 1 3 388.943 3.545 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000246494385 879618509 /nfs/dbraw/zinc/61/85/09/879618509.db2.gz SFDUFBNYFAGLAR-XUVXKRRUSA-N 1 3 398.469 3.930 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000246897801 879842994 /nfs/dbraw/zinc/84/29/94/879842994.db2.gz FRGKQOXPFXRQJD-RTBURBONSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000246897801 879843012 /nfs/dbraw/zinc/84/30/12/879843012.db2.gz FRGKQOXPFXRQJD-RTBURBONSA-N 1 3 390.535 3.888 20 0 GHADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000854514714 879872680 /nfs/dbraw/zinc/87/26/80/879872680.db2.gz INSWGRJSZUDDPK-MZYLBHOOSA-N 1 3 377.532 3.822 20 0 GHADHO CCOCOc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000790634433 879874700 /nfs/dbraw/zinc/87/47/00/879874700.db2.gz HHZZSUHAXJBJDB-UHFFFAOYSA-N 1 3 384.520 3.822 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C)cc1 ZINC000247945442 880092502 /nfs/dbraw/zinc/09/25/02/880092502.db2.gz DLXJODPZTZDCOA-DHIUTWEWSA-N 1 3 379.548 3.933 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C)cc1 ZINC000247945442 880092516 /nfs/dbraw/zinc/09/25/16/880092516.db2.gz DLXJODPZTZDCOA-DHIUTWEWSA-N 1 3 379.548 3.933 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000531683030 880313437 /nfs/dbraw/zinc/31/34/37/880313437.db2.gz QBTTTYVPQQUNAV-RUZDIDTESA-N 1 3 393.575 4.000 20 0 GHADHO C[C@H](CN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000531700608 880326096 /nfs/dbraw/zinc/32/60/96/880326096.db2.gz LPGPMECRPLQRKY-CABCVRRESA-N 1 3 387.446 3.624 20 0 GHADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CN1CCCC1 ZINC000531700608 880326109 /nfs/dbraw/zinc/32/61/09/880326109.db2.gz LPGPMECRPLQRKY-CABCVRRESA-N 1 3 387.446 3.624 20 0 GHADHO OCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000453147924 880513828 /nfs/dbraw/zinc/51/38/28/880513828.db2.gz ZIAPFQKEHVAGRS-SMIHKQSGSA-N 1 3 380.532 3.591 20 0 GHADHO OCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000453147923 880513922 /nfs/dbraw/zinc/51/39/22/880513922.db2.gz ZIAPFQKEHVAGRS-RBZQAINGSA-N 1 3 380.532 3.591 20 0 GHADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000429533466 881273675 /nfs/dbraw/zinc/27/36/75/881273675.db2.gz WTAGOTFAMUVDIE-DENIHFKCSA-N 1 3 385.577 3.760 20 0 GHADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000429533466 881273692 /nfs/dbraw/zinc/27/36/92/881273692.db2.gz WTAGOTFAMUVDIE-DENIHFKCSA-N 1 3 385.577 3.760 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)c(C)c1OC ZINC000286336779 912698274 /nfs/dbraw/zinc/69/82/74/912698274.db2.gz YBYZSAWYEWDNMF-GOSISDBHSA-N 1 3 398.547 3.820 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000551270613 883582065 /nfs/dbraw/zinc/58/20/65/883582065.db2.gz FWQLOHJRLREQJO-QHCPKHFHSA-N 1 3 384.520 3.516 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000551270613 883582076 /nfs/dbraw/zinc/58/20/76/883582076.db2.gz FWQLOHJRLREQJO-QHCPKHFHSA-N 1 3 384.520 3.516 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000494810423 883876568 /nfs/dbraw/zinc/87/65/68/883876568.db2.gz OBIRJIJPOMVKKX-JPAWQOSXSA-N 1 3 378.532 3.772 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000495163420 884701003 /nfs/dbraw/zinc/70/10/03/884701003.db2.gz BCKXSKCIOCSYDD-FVJLSDCUSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000495163420 884701012 /nfs/dbraw/zinc/70/10/12/884701012.db2.gz BCKXSKCIOCSYDD-FVJLSDCUSA-N 1 3 397.966 3.784 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CNCc3c[nH]nc3-c3cccs3)cc2)CC1 ZINC000556403721 884797096 /nfs/dbraw/zinc/79/70/96/884797096.db2.gz IRPYGQBLWFWZGU-UHFFFAOYSA-N 1 3 382.533 3.901 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccccc3CN(C)C)cc2)C1 ZINC000498582399 884928439 /nfs/dbraw/zinc/92/84/39/884928439.db2.gz FMKVWTRZWYQMTL-IBGZPJMESA-N 1 3 379.548 3.910 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccccc3CN(C)C)cc2)C1 ZINC000498582399 884928464 /nfs/dbraw/zinc/92/84/64/884928464.db2.gz FMKVWTRZWYQMTL-IBGZPJMESA-N 1 3 379.548 3.910 20 0 GHADHO CC[NH+]1CCC(N(C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000106388617 885051090 /nfs/dbraw/zinc/05/10/90/885051090.db2.gz GUCFJUKDLXWBLU-RPBOFIJWSA-N 1 3 396.575 3.878 20 0 GHADHO CCCNc1cc(C)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170522991 885398776 /nfs/dbraw/zinc/39/87/76/885398776.db2.gz WBUMDOONQLRRGA-UHFFFAOYSA-N 1 3 392.551 3.516 20 0 GHADHO Cc1cc2cnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)nc2s1 ZINC001170524542 885445174 /nfs/dbraw/zinc/44/51/74/885445174.db2.gz BRXCFACWMVOOLI-UHFFFAOYSA-N 1 3 391.544 3.909 20 0 GHADHO Cc1csc2nc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)ncc12 ZINC001170526314 885491257 /nfs/dbraw/zinc/49/12/57/885491257.db2.gz XRTUDLFFUICDOS-UHFFFAOYSA-N 1 3 391.544 3.909 20 0 GHADHO CC(C)(C)c1ncc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cn1 ZINC001170527839 885563243 /nfs/dbraw/zinc/56/32/43/885563243.db2.gz BCMSMWKXGSGRSZ-UHFFFAOYSA-N 1 3 377.536 3.684 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccc4c(c3)CCOC4)c3ccccc23)CC1 ZINC001170528474 885585011 /nfs/dbraw/zinc/58/50/11/885585011.db2.gz QJFSOGHZPKIIBC-UHFFFAOYSA-N 1 3 375.516 3.669 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867508 886385128 /nfs/dbraw/zinc/38/51/28/886385128.db2.gz FELWXBNINRNOPY-SVFBPWRDSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867508 886385148 /nfs/dbraw/zinc/38/51/48/886385148.db2.gz FELWXBNINRNOPY-SVFBPWRDSA-N 1 3 375.520 3.971 20 0 GHADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000429551827 886732685 /nfs/dbraw/zinc/73/26/85/886732685.db2.gz GKRRIFXOXGSBID-JOCHJYFZSA-N 1 3 379.548 3.698 20 0 GHADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000429551827 886732699 /nfs/dbraw/zinc/73/26/99/886732699.db2.gz GKRRIFXOXGSBID-JOCHJYFZSA-N 1 3 379.548 3.698 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2cnc(C3OCCO3)s2)C[N@@H+]1Cc1ccccc1 ZINC000809629573 887628168 /nfs/dbraw/zinc/62/81/68/887628168.db2.gz VENNJZYAMVSMJU-FUHWJXTLSA-N 1 3 387.549 3.579 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629573 887628187 /nfs/dbraw/zinc/62/81/87/887628187.db2.gz VENNJZYAMVSMJU-FUHWJXTLSA-N 1 3 387.549 3.579 20 0 GHADHO CC(C)CC[C@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000135125278 887946274 /nfs/dbraw/zinc/94/62/74/887946274.db2.gz XUYLXNKGYDWUHR-OAQYLSRUSA-N 1 3 378.605 3.545 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866306731 888822674 /nfs/dbraw/zinc/82/26/74/888822674.db2.gz LYEPJYADHYCTFW-RRQGHBQHSA-N 1 3 377.916 3.900 20 0 GHADHO COc1cccc([C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)N(C)C)c1 ZINC000121713475 889099380 /nfs/dbraw/zinc/09/93/80/889099380.db2.gz XSFRDFYNVBYOLR-DEOSSOPVSA-N 1 3 381.564 3.595 20 0 GHADHO COc1cccc([C@H](CNC2CC[NH+](CCc3ccccc3)CC2)N(C)C)c1 ZINC000121713475 889099390 /nfs/dbraw/zinc/09/93/90/889099390.db2.gz XSFRDFYNVBYOLR-DEOSSOPVSA-N 1 3 381.564 3.595 20 0 GHADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(CCC[NH+](C)C)CC1 ZINC000123537337 889323297 /nfs/dbraw/zinc/32/32/97/889323297.db2.gz IADBXPGYRGAGJA-JMQGYIBLSA-N 1 3 375.601 3.514 20 0 GHADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000533124426 889860755 /nfs/dbraw/zinc/86/07/55/889860755.db2.gz HZAMFPULFCMMMJ-LJQANCHMSA-N 1 3 383.561 3.515 20 0 GHADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(OC)c(OC)c1 ZINC000126688376 890649821 /nfs/dbraw/zinc/64/98/21/890649821.db2.gz LLJARYPYVOSEPZ-QFIPXVFZSA-N 1 3 397.563 3.692 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000247116817 891370927 /nfs/dbraw/zinc/37/09/27/891370927.db2.gz MBNHIJCOVBIDJW-XMSQKQJNSA-N 1 3 385.552 3.643 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000247116817 891370944 /nfs/dbraw/zinc/37/09/44/891370944.db2.gz MBNHIJCOVBIDJW-XMSQKQJNSA-N 1 3 385.552 3.643 20 0 GHADHO CC[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(OC(F)F)cc1 ZINC000873247791 891548595 /nfs/dbraw/zinc/54/85/95/891548595.db2.gz UKSISPUXIGDXQW-LJQANCHMSA-N 1 3 387.434 3.568 20 0 GHADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000261774725 892108514 /nfs/dbraw/zinc/10/85/14/892108514.db2.gz JBKIFRDSRDMTMY-MAUKXSAKSA-N 1 3 385.474 3.594 20 0 GHADHO COc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc2ccccc21 ZINC000933775083 893209809 /nfs/dbraw/zinc/20/98/09/893209809.db2.gz KHMBONRPRLKNSR-UHFFFAOYSA-N 1 3 396.535 3.529 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877033857 893449051 /nfs/dbraw/zinc/44/90/51/893449051.db2.gz PRCOHPPGMKPQBI-VEXUSMLFSA-N 1 3 396.531 3.695 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877033857 893449059 /nfs/dbraw/zinc/44/90/59/893449059.db2.gz PRCOHPPGMKPQBI-VEXUSMLFSA-N 1 3 396.531 3.695 20 0 GHADHO C[C@H](O)CN(Cc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000536650503 893453849 /nfs/dbraw/zinc/45/38/49/893453849.db2.gz VOZOBNGVBYLPHR-FQEVSTJZSA-N 1 3 381.564 3.600 20 0 GHADHO COc1cc(C)c(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000536709443 893614259 /nfs/dbraw/zinc/61/42/59/893614259.db2.gz BDOYMVXYVPQVEY-OALUTQOASA-N 1 3 390.568 3.724 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)CC2)CC1 ZINC000877747457 893787811 /nfs/dbraw/zinc/78/78/11/893787811.db2.gz MHPZZRCIMSPZTP-UHFFFAOYSA-N 1 3 397.538 3.617 20 0 GHADHO COc1ccc(-c2nn(Cc3ccccc3)cc2CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000563626081 893988029 /nfs/dbraw/zinc/98/80/29/893988029.db2.gz WICVEZRKVPYFJC-ROUUACIJSA-N 1 3 378.520 3.822 20 0 GHADHO C[N@@H+]1CCC[C@@H](CCNCc2cccc(Br)c2OC(F)F)C1 ZINC000459727018 894113913 /nfs/dbraw/zinc/11/39/13/894113913.db2.gz HAEJITWBQPRLAD-LBPRGKRZSA-N 1 3 377.273 3.872 20 0 GHADHO C[N@H+]1CCC[C@@H](CCNCc2cccc(Br)c2OC(F)F)C1 ZINC000459727018 894113919 /nfs/dbraw/zinc/11/39/19/894113919.db2.gz HAEJITWBQPRLAD-LBPRGKRZSA-N 1 3 377.273 3.872 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574984 894399392 /nfs/dbraw/zinc/39/93/92/894399392.db2.gz YQPLPSZAEJTZMG-VQTJNVASSA-N 1 3 392.609 3.786 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574984 894399411 /nfs/dbraw/zinc/39/94/11/894399411.db2.gz YQPLPSZAEJTZMG-VQTJNVASSA-N 1 3 392.609 3.786 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000537304504 894739029 /nfs/dbraw/zinc/73/90/29/894739029.db2.gz QBMWYXBDAINFCS-OWCLPIDISA-N 1 3 399.373 3.998 20 0 GHADHO c1cc([C@H]2CCN(Cc3cncc(C[N@@H+]4CC[C@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665020 895165621 /nfs/dbraw/zinc/16/56/21/895165621.db2.gz DCFZKJCIOUUTMB-DQEYMECFSA-N 1 3 399.542 3.851 20 0 GHADHO c1cc([C@H]2CCN(Cc3cncc(C[N@H+]4CC[C@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665020 895165624 /nfs/dbraw/zinc/16/56/24/895165624.db2.gz DCFZKJCIOUUTMB-DQEYMECFSA-N 1 3 399.542 3.851 20 0 GHADHO O=C(NC[C@H]1CCCN(Cc2ccccc2Oc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000564728477 895213697 /nfs/dbraw/zinc/21/36/97/895213697.db2.gz ANSHJQTZFAILBW-DENIHFKCSA-N 1 3 393.531 3.559 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000565547837 895714302 /nfs/dbraw/zinc/71/43/02/895714302.db2.gz DIOLZZSRYLUXID-BWAGFHJFSA-N 1 3 375.601 3.610 20 0 GHADHO O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(Cl)cccc1Cl ZINC000817905789 895955978 /nfs/dbraw/zinc/95/59/78/895955978.db2.gz OARBJLKDUBWXAP-HLIPFELVSA-N 1 3 393.314 3.872 20 0 GHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)c1c(F)cccc1Cl ZINC000817916683 895961119 /nfs/dbraw/zinc/96/11/19/895961119.db2.gz ANKSNEGNOYYOGE-AUNMJURBSA-N 1 3 390.886 3.747 20 0 GHADHO c1ccc(C[N@@H+]2CCCO[C@H](CNC3(c4ccccc4)CCOCC3)C2)cc1 ZINC000565907309 895971636 /nfs/dbraw/zinc/97/16/36/895971636.db2.gz FTHFURNKOZGPDH-HSZRJFAPSA-N 1 3 380.532 3.573 20 0 GHADHO c1ccc(C[N@H+]2CCCO[C@H](CNC3(c4ccccc4)CCOCC3)C2)cc1 ZINC000565907309 895971645 /nfs/dbraw/zinc/97/16/45/895971645.db2.gz FTHFURNKOZGPDH-HSZRJFAPSA-N 1 3 380.532 3.573 20 0 GHADHO N[C@H](CCC[NH3+])Nc1c2cccc1CCc1cc(ccc1Br)CC2 ZINC001170902544 896166823 /nfs/dbraw/zinc/16/68/23/896166823.db2.gz FSNUUQIJNGIKNC-IBGZPJMESA-N 1 3 388.353 3.769 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000567486022 897194493 /nfs/dbraw/zinc/19/44/93/897194493.db2.gz XXFQAMSHTXPJIB-NRFANRHFSA-N 1 3 389.971 3.810 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3-c3nc(C)c[nH]3)CC2)CC1 ZINC000567912423 897484213 /nfs/dbraw/zinc/48/42/13/897484213.db2.gz JWLTYWOQBXQATB-UHFFFAOYSA-N 1 3 395.551 3.520 20 0 GHADHO C[C@@H](N[C@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccc(C[NH+](C)C)c1 ZINC000820813691 897541922 /nfs/dbraw/zinc/54/19/22/897541922.db2.gz ADXRROIBKRFJHW-HZPDHXFCSA-N 1 3 375.538 3.532 20 0 GHADHO O[C@]1(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCc2ccccc21 ZINC000820829308 897571061 /nfs/dbraw/zinc/57/10/61/897571061.db2.gz HNCVPGDFSXCSTA-UNPSAXADSA-N 1 3 376.544 3.996 20 0 GHADHO O[C@]1(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCc2ccccc21 ZINC000820829308 897571070 /nfs/dbraw/zinc/57/10/70/897571070.db2.gz HNCVPGDFSXCSTA-UNPSAXADSA-N 1 3 376.544 3.996 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000568530275 897915009 /nfs/dbraw/zinc/91/50/09/897915009.db2.gz UCMDKFUXWNNXGF-VWLOTQADSA-N 1 3 397.607 3.763 20 0 GHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)C1 ZINC000569442432 898668234 /nfs/dbraw/zinc/66/82/34/898668234.db2.gz NOCYOPYAVSSCMN-XLIONFOSSA-N 1 3 375.900 3.713 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000155725148 899031295 /nfs/dbraw/zinc/03/12/95/899031295.db2.gz LQQMTEJFZNOZON-GJZGRUSLSA-N 1 3 387.540 3.687 20 0 GHADHO FC(F)(F)Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000570041826 899087409 /nfs/dbraw/zinc/08/74/09/899087409.db2.gz BLTFDDFNXDTSRV-VAMGGRTRSA-N 1 3 392.469 3.978 20 0 GHADHO O[C@H](CNCc1ccccc1C[NH+]1CCCCCC1)COCc1cccs1 ZINC000570563798 899393975 /nfs/dbraw/zinc/39/39/75/899393975.db2.gz AUSZCKNDNDXHBZ-OAQYLSRUSA-N 1 3 388.577 3.791 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cncc(Cl)c1)CC2 ZINC001136992273 899995353 /nfs/dbraw/zinc/99/53/53/899995353.db2.gz DXAOHEQPEZPMIV-NRFANRHFSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cncc(Cl)c1)CC2 ZINC001136992273 899995355 /nfs/dbraw/zinc/99/53/55/899995355.db2.gz DXAOHEQPEZPMIV-NRFANRHFSA-N 1 3 385.939 3.991 20 0 GHADHO COc1ccc(-c2ccccc2)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000571924485 900008617 /nfs/dbraw/zinc/00/86/17/900008617.db2.gz LFCFGAVBZOZWGO-UHFFFAOYSA-N 1 3 381.564 3.820 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC[C@H](O)COCc2cccs2)C1 ZINC000573236983 900429648 /nfs/dbraw/zinc/42/96/48/900429648.db2.gz STERRIOJPFABIX-RXVVDRJESA-N 1 3 388.577 3.647 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC[C@H](O)COCc2cccs2)C1 ZINC000573236983 900429658 /nfs/dbraw/zinc/42/96/58/900429658.db2.gz STERRIOJPFABIX-RXVVDRJESA-N 1 3 388.577 3.647 20 0 GHADHO CC[NH+]1CCC(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000573552454 900556415 /nfs/dbraw/zinc/55/64/15/900556415.db2.gz ZAUVRIBSKKVMJP-UHFFFAOYSA-N 1 3 377.330 3.661 20 0 GHADHO CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000574416503 900881743 /nfs/dbraw/zinc/88/17/43/900881743.db2.gz YVFRHTQYSKFRME-JOCHJYFZSA-N 1 3 395.547 3.914 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844505622 900951978 /nfs/dbraw/zinc/95/19/78/900951978.db2.gz CPSARZIFHXEOLP-KNIMUDFMSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844505622 900951983 /nfs/dbraw/zinc/95/19/83/900951983.db2.gz CPSARZIFHXEOLP-KNIMUDFMSA-N 1 3 396.453 3.877 20 0 GHADHO CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)CC2 ZINC000886598753 901181603 /nfs/dbraw/zinc/18/16/03/901181603.db2.gz JJIGWESRWOLPKZ-MALNDZBISA-N 1 3 378.564 3.964 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccco1 ZINC000576369628 901979338 /nfs/dbraw/zinc/97/93/38/901979338.db2.gz QHYQRTCVSCKLPF-SESVDKBCSA-N 1 3 398.551 3.845 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000576836166 902292054 /nfs/dbraw/zinc/29/20/54/902292054.db2.gz SASRICMLRJIGBN-HMXCVIKNSA-N 1 3 375.601 3.658 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778974679 902392347 /nfs/dbraw/zinc/39/23/47/902392347.db2.gz GFSPLXXXHYNHKM-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 ZINC000779020027 902985478 /nfs/dbraw/zinc/98/54/78/902985478.db2.gz RHQCLYPAUSKEOD-NRSPTQNISA-N 1 3 387.568 3.711 20 0 GHADHO CC[N@@H+]1CC[C@H](CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 ZINC000779020027 902985483 /nfs/dbraw/zinc/98/54/83/902985483.db2.gz RHQCLYPAUSKEOD-NRSPTQNISA-N 1 3 387.568 3.711 20 0 GHADHO CC[N@H+]1CC[C@H](CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 ZINC000779020027 902985487 /nfs/dbraw/zinc/98/54/87/902985487.db2.gz RHQCLYPAUSKEOD-NRSPTQNISA-N 1 3 387.568 3.711 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000600855977 903012262 /nfs/dbraw/zinc/01/22/62/903012262.db2.gz JBZJEYOGKKYABZ-QFIPXVFZSA-N 1 3 386.584 3.606 20 0 GHADHO CC[N@H+](CCCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)C1CCCCC1 ZINC000846687878 903137492 /nfs/dbraw/zinc/13/74/92/903137492.db2.gz JJSNSIKKVWQUTE-GOSISDBHSA-N 1 3 380.964 3.594 20 0 GHADHO CC[N@@H+](CCCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)C1CCCCC1 ZINC000846687878 903137498 /nfs/dbraw/zinc/13/74/98/903137498.db2.gz JJSNSIKKVWQUTE-GOSISDBHSA-N 1 3 380.964 3.594 20 0 GHADHO COc1cc(C)c([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000132627890 903286305 /nfs/dbraw/zinc/28/63/05/903286305.db2.gz BOXGPLUXRZWBRU-GOSISDBHSA-N 1 3 398.547 3.820 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000132682216 903294327 /nfs/dbraw/zinc/29/43/27/903294327.db2.gz XJWCNZGLJQSOKO-SFHVURJKSA-N 1 3 396.531 3.655 20 0 GHADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)s1 ZINC000265120242 903645480 /nfs/dbraw/zinc/64/54/80/903645480.db2.gz FIPRESREPYOPHB-MRXNPFEDSA-N 1 3 399.004 3.710 20 0 GHADHO C[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561881 903963866 /nfs/dbraw/zinc/96/38/66/903963866.db2.gz VXBIGUOARINALC-PZJWPPBQSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561881 903963869 /nfs/dbraw/zinc/96/38/69/903963869.db2.gz VXBIGUOARINALC-PZJWPPBQSA-N 1 3 390.535 3.615 20 0 GHADHO c1ccc(CN2CC[C@H]([NH2+]CC3(N4CCCCC4)CCOCC3)CC23CC3)cc1 ZINC000578988788 904279261 /nfs/dbraw/zinc/27/92/61/904279261.db2.gz OUTXCPCZZUNBPK-QHCPKHFHSA-N 1 3 397.607 3.808 20 0 GHADHO O[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000773140019 904476932 /nfs/dbraw/zinc/47/69/32/904476932.db2.gz PQWDZGAFPLOLIH-OAQYLSRUSA-N 1 3 394.893 3.948 20 0 GHADHO CC[N@H+](CCCN(C)C)Cc1ccc(OC(=O)c2cccs2)c(OC)c1 ZINC001137259566 904858714 /nfs/dbraw/zinc/85/87/14/904858714.db2.gz MAUJYHZPJJLAPC-UHFFFAOYSA-N 1 3 376.522 3.750 20 0 GHADHO CC[N@@H+](CCCN(C)C)Cc1ccc(OC(=O)c2cccs2)c(OC)c1 ZINC001137259566 904858727 /nfs/dbraw/zinc/85/87/27/904858727.db2.gz MAUJYHZPJJLAPC-UHFFFAOYSA-N 1 3 376.522 3.750 20 0 GHADHO CN1C(C)(C)CC([NH2+]C2CCC3(CCC(=O)N3CC3CC3)CC2)CC1(C)C ZINC001171619346 904886195 /nfs/dbraw/zinc/88/61/95/904886195.db2.gz KOSFATMFRPRIMR-UHFFFAOYSA-N 1 3 375.601 3.941 20 0 GHADHO COC(=O)c1ccc(OC2CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)cc1 ZINC001171638142 904925171 /nfs/dbraw/zinc/92/51/71/904925171.db2.gz UBFDZAQMRBCHEE-UHFFFAOYSA-N 1 3 388.552 3.968 20 0 GHADHO COC(=O)c1ccc(OC2CCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)cc1 ZINC001171638142 904925186 /nfs/dbraw/zinc/92/51/86/904925186.db2.gz UBFDZAQMRBCHEE-UHFFFAOYSA-N 1 3 388.552 3.968 20 0 GHADHO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@@H]12 ZINC001171638346 904927750 /nfs/dbraw/zinc/92/77/50/904927750.db2.gz UEZXLUPEUACHJI-RCZVLFRGSA-N 1 3 397.607 3.902 20 0 GHADHO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@@H]12 ZINC001171638346 904927753 /nfs/dbraw/zinc/92/77/53/904927753.db2.gz UEZXLUPEUACHJI-RCZVLFRGSA-N 1 3 397.607 3.902 20 0 GHADHO CC[C@@H]1C[C@H](N2CCC([NH3+])(CCOC)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171818988 905034572 /nfs/dbraw/zinc/03/45/72/905034572.db2.gz JSPBFGJQAATVAT-BWTSREIZSA-N 1 3 397.604 3.773 20 0 GHADHO c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@@H]4CN(Cc5ccncc5)CCO[C@@H]4C3)C2)cc1 ZINC001172560825 905623669 /nfs/dbraw/zinc/62/36/69/905623669.db2.gz LJGFXSQJXQBUEK-ZKGSSEMHSA-N 1 3 391.559 3.941 20 0 GHADHO c1ccc([C@@H]2CC[C@H]([N@@H+]3CC[C@@H]4CN(Cc5ccncc5)CCO[C@@H]4C3)C2)cc1 ZINC001172560825 905623678 /nfs/dbraw/zinc/62/36/78/905623678.db2.gz LJGFXSQJXQBUEK-ZKGSSEMHSA-N 1 3 391.559 3.941 20 0 GHADHO CC(C)[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000176289458 905809345 /nfs/dbraw/zinc/80/93/45/905809345.db2.gz ROMQPVGDBGPLCG-NRFANRHFSA-N 1 3 391.987 3.754 20 0 GHADHO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001172866314 905883131 /nfs/dbraw/zinc/88/31/31/905883131.db2.gz HFNAMLAYAVLWKV-INIZCTEOSA-N 1 3 390.934 3.761 20 0 GHADHO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001172866314 905883152 /nfs/dbraw/zinc/88/31/52/905883152.db2.gz HFNAMLAYAVLWKV-INIZCTEOSA-N 1 3 390.934 3.761 20 0 GHADHO C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCOC2=O)cc1 ZINC000177752494 906210154 /nfs/dbraw/zinc/21/01/54/906210154.db2.gz DNVGKAIPSUVOCJ-ROUUACIJSA-N 1 3 397.519 3.995 20 0 GHADHO CCN1CC[C@H]([N@@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)C1 ZINC001173374720 906403842 /nfs/dbraw/zinc/40/38/42/906403842.db2.gz MOOVCEWBEOBHNN-QHCPKHFHSA-N 1 3 375.560 3.878 20 0 GHADHO CCN1CC[C@H]([N@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)C1 ZINC001173374720 906403849 /nfs/dbraw/zinc/40/38/49/906403849.db2.gz MOOVCEWBEOBHNN-QHCPKHFHSA-N 1 3 375.560 3.878 20 0 GHADHO CCC[N@H+](CCCN)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173387549 906416452 /nfs/dbraw/zinc/41/64/52/906416452.db2.gz XXLISETUWHDQOH-KURKYZTESA-N 1 3 398.588 3.516 20 0 GHADHO CCC[N@@H+](CCCN)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173387549 906416457 /nfs/dbraw/zinc/41/64/57/906416457.db2.gz XXLISETUWHDQOH-KURKYZTESA-N 1 3 398.588 3.516 20 0 GHADHO COc1ccc(C(=O)N2CCC([NH2+]C3CCN(CC4CCCC4)CC3)CC2)cc1 ZINC001173404111 906431277 /nfs/dbraw/zinc/43/12/77/906431277.db2.gz LXWIVPRUHMLHCC-UHFFFAOYSA-N 1 3 399.579 3.544 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@@H+]2CCC[C@@H](N)C2)CC1 ZINC001173558568 906532274 /nfs/dbraw/zinc/53/22/74/906532274.db2.gz URIKZPBOWKTLSE-LMDPOFIKSA-N 1 3 397.357 3.631 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CCC[C@@H](N)C2)CC1 ZINC001173558568 906532281 /nfs/dbraw/zinc/53/22/81/906532281.db2.gz URIKZPBOWKTLSE-LMDPOFIKSA-N 1 3 397.357 3.631 20 0 GHADHO [NH3+]C1(Cc2ccc(Cl)cc2)CCN(C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173667701 906605183 /nfs/dbraw/zinc/60/51/83/906605183.db2.gz RPBNAPCXDUGZKV-UHFFFAOYSA-N 1 3 389.893 3.703 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206212486 906650348 /nfs/dbraw/zinc/65/03/48/906650348.db2.gz RUOVOGAZPITASJ-MOPGFXCFSA-N 1 3 376.447 3.771 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206212486 906650352 /nfs/dbraw/zinc/65/03/52/906650352.db2.gz RUOVOGAZPITASJ-MOPGFXCFSA-N 1 3 376.447 3.771 20 0 GHADHO CSc1ccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1F ZINC000180997993 906893426 /nfs/dbraw/zinc/89/34/26/906893426.db2.gz OCXMRRSFUNFUDH-OAHLLOKOSA-N 1 3 389.540 3.690 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c2ccccc2C1 ZINC000631664118 907796421 /nfs/dbraw/zinc/79/64/21/907796421.db2.gz LXXGGSXZSNKRND-VPHKFGTKSA-N 1 3 391.559 3.838 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c2ccccc2C1 ZINC000631664118 907796427 /nfs/dbraw/zinc/79/64/27/907796427.db2.gz LXXGGSXZSNKRND-VPHKFGTKSA-N 1 3 391.559 3.838 20 0 GHADHO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)c2ccccc2C1 ZINC000631664118 907796432 /nfs/dbraw/zinc/79/64/32/907796432.db2.gz LXXGGSXZSNKRND-VPHKFGTKSA-N 1 3 391.559 3.838 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000192755719 907882695 /nfs/dbraw/zinc/88/26/95/907882695.db2.gz RTTIXLFHHUPFGB-ZEQRLZLVSA-N 1 3 387.612 3.771 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000192755719 907882701 /nfs/dbraw/zinc/88/27/01/907882701.db2.gz RTTIXLFHHUPFGB-ZEQRLZLVSA-N 1 3 387.612 3.771 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C4CCC4)CC3)CC2)CC1 ZINC000634524159 908746888 /nfs/dbraw/zinc/74/68/88/908746888.db2.gz UREVRQVJWMXRGY-HXUWFJFHSA-N 1 3 375.601 3.612 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1c[nH]nc1-c1ccsc1 ZINC001178972171 909339853 /nfs/dbraw/zinc/33/98/53/909339853.db2.gz PEMWQOLTLDNXSL-NHCUHLMSSA-N 1 3 396.560 3.765 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1c[nH]nc1-c1ccsc1 ZINC001178972171 909339870 /nfs/dbraw/zinc/33/98/70/909339870.db2.gz PEMWQOLTLDNXSL-NHCUHLMSSA-N 1 3 396.560 3.765 20 0 GHADHO CCC(CC)(CNC(=O)OC(C)(C)C)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001180080842 909934979 /nfs/dbraw/zinc/93/49/79/909934979.db2.gz GXRFQLAVCDPTKX-IBGZPJMESA-N 1 3 381.605 3.981 20 0 GHADHO CCC(CC)(CNC(=O)OC(C)(C)C)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001180080842 909934994 /nfs/dbraw/zinc/93/49/94/909934994.db2.gz GXRFQLAVCDPTKX-IBGZPJMESA-N 1 3 381.605 3.981 20 0 GHADHO CN(C)C(=O)C1CC[NH+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC000637863379 909990823 /nfs/dbraw/zinc/99/08/23/909990823.db2.gz AUJXMUUDZIQANM-DEOSSOPVSA-N 1 3 385.596 3.725 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000268750070 909996856 /nfs/dbraw/zinc/99/68/56/909996856.db2.gz CESCWZFMWWFVMD-CLYVBNDRSA-N 1 3 388.577 3.995 20 0 GHADHO COC(=O)CC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001180302171 910057777 /nfs/dbraw/zinc/05/77/77/910057777.db2.gz TZUWWYOVFRYBMU-SOBISTDDSA-N 1 3 384.564 3.999 20 0 GHADHO CC(C)C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288886 915139220 /nfs/dbraw/zinc/13/92/20/915139220.db2.gz TYIXSRZCVAHMFU-DHIUTWEWSA-N 1 3 394.563 3.656 20 0 GHADHO CC(C)C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288886 915139227 /nfs/dbraw/zinc/13/92/27/915139227.db2.gz TYIXSRZCVAHMFU-DHIUTWEWSA-N 1 3 394.563 3.656 20 0 GHADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344584 915165310 /nfs/dbraw/zinc/16/53/10/915165310.db2.gz UVIKWNLVAZUROB-BWAGFHJFSA-N 1 3 379.548 3.901 20 0 GHADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344584 915165319 /nfs/dbraw/zinc/16/53/19/915165319.db2.gz UVIKWNLVAZUROB-BWAGFHJFSA-N 1 3 379.548 3.901 20 0 GHADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3cccc(Cl)c3Cl)CC2)C1=O ZINC001275652351 915658191 /nfs/dbraw/zinc/65/81/91/915658191.db2.gz BNSUUMUAOCJTTI-HXUWFJFHSA-N 1 3 398.378 3.760 20 0 GHADHO O=C(C(C[C@H]1CCCO1)C(F)(F)F)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000649628779 916276671 /nfs/dbraw/zinc/27/66/71/916276671.db2.gz HFHHPYBXGCNCSJ-ZACQAIPSSA-N 1 3 382.426 3.745 20 0 GHADHO O=C(C(C[C@H]1CCCO1)C(F)(F)F)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000649628779 916276692 /nfs/dbraw/zinc/27/66/92/916276692.db2.gz HFHHPYBXGCNCSJ-ZACQAIPSSA-N 1 3 382.426 3.745 20 0 GHADHO C[NH+](C)CCCOc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000649704759 916343595 /nfs/dbraw/zinc/34/35/95/916343595.db2.gz VVFLEUNWHJNPPP-SJORKVTESA-N 1 3 388.430 3.703 20 0 GHADHO CC(=O)N1CC[C@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000362032888 917043448 /nfs/dbraw/zinc/04/34/48/917043448.db2.gz RBFTVLNBBMRODR-JTSKRJEESA-N 1 3 381.520 3.776 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1CN1CCCCC1 ZINC000775394350 917390421 /nfs/dbraw/zinc/39/04/21/917390421.db2.gz LINKYOTXAWBOED-WIYYLYMNSA-N 1 3 376.541 3.527 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3ccc(Cl)c4cccnc34)CC2)CC1 ZINC000363796338 918874388 /nfs/dbraw/zinc/87/43/88/918874388.db2.gz BLPFDDUVVFDLFW-UHFFFAOYSA-N 1 3 386.971 3.738 20 0 GHADHO [NH3+]CCCC[C@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1F ZINC000902351502 922112965 /nfs/dbraw/zinc/11/29/65/922112965.db2.gz YZNAAJVVBLIYES-XLIONFOSSA-N 1 3 379.495 3.516 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902394147 922157472 /nfs/dbraw/zinc/15/74/72/922157472.db2.gz WYXSYLSHGQINQM-OALUTQOASA-N 1 3 375.463 3.501 20 0 GHADHO COC(=O)c1ccc([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(C)c1 ZINC000902793963 922501771 /nfs/dbraw/zinc/50/17/71/922501771.db2.gz PGIPBIZUAFQYGB-GOSISDBHSA-N 1 3 396.531 3.589 20 0 GHADHO O[C@H]1C[C@](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)(c2ccccc2)C1 ZINC000903271266 922897191 /nfs/dbraw/zinc/89/71/91/922897191.db2.gz LGBWCQHWYSKTRY-NPJMLQJUSA-N 1 3 376.544 3.722 20 0 GHADHO Cc1c(C[C@H](CN)C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCC2)cnn1C ZINC000903925965 923401772 /nfs/dbraw/zinc/40/17/72/923401772.db2.gz QCJFLKUYFRSPIB-MRXNPFEDSA-N 1 3 394.485 3.576 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1[nH]c(C)cc1C)CC2 ZINC001137324418 924678538 /nfs/dbraw/zinc/67/85/38/924678538.db2.gz RRVAKXPHJJORSG-NRFANRHFSA-N 1 3 382.552 3.530 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1[nH]c(C)cc1C)CC2 ZINC001137324418 924678545 /nfs/dbraw/zinc/67/85/45/924678545.db2.gz RRVAKXPHJJORSG-NRFANRHFSA-N 1 3 382.552 3.530 20 0 GHADHO C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000678285994 924707335 /nfs/dbraw/zinc/70/73/35/924707335.db2.gz SMAUPDNLRMJABG-BWKNWUBXSA-N 1 3 392.591 3.912 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927467 924975425 /nfs/dbraw/zinc/97/54/25/924975425.db2.gz JRQFYWSKUVLRBI-REWPJTCUSA-N 1 3 395.522 3.690 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927467 924975436 /nfs/dbraw/zinc/97/54/36/924975436.db2.gz JRQFYWSKUVLRBI-REWPJTCUSA-N 1 3 395.522 3.690 20 0 GHADHO COc1ccc(NC(=O)CCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000411512031 926470419 /nfs/dbraw/zinc/47/04/19/926470419.db2.gz ADNJCTSKZLCDPL-HZPDHXFCSA-N 1 3 393.959 3.920 20 0 GHADHO COc1ccc(NC(=O)CCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000411512031 926470422 /nfs/dbraw/zinc/47/04/22/926470422.db2.gz ADNJCTSKZLCDPL-HZPDHXFCSA-N 1 3 393.959 3.920 20 0 GHADHO COc1ccc([C@H](CN(C)C)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000412348157 927362535 /nfs/dbraw/zinc/36/25/35/927362535.db2.gz XSDSCONAIUFOBI-QHCPKHFHSA-N 1 3 395.547 3.714 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751082425 928019181 /nfs/dbraw/zinc/01/91/81/928019181.db2.gz QRUXIWYPEGMHTQ-IDJJCAIYSA-N 1 3 398.595 3.918 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](CC(C)(C)C)C3(C)C)CC2)CC1 ZINC000413213027 928326589 /nfs/dbraw/zinc/32/65/89/928326589.db2.gz ZBEBQEZRVGIPSC-GOSISDBHSA-N 1 3 392.632 3.791 20 0 GHADHO C[NH2+]CCC1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000469852560 930207195 /nfs/dbraw/zinc/20/71/95/930207195.db2.gz HCVSZBSQSJTDTG-UHFFFAOYSA-N 1 3 391.357 3.765 20 0 GHADHO CC(C)[NH+](CCCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000470489013 930660531 /nfs/dbraw/zinc/66/05/31/930660531.db2.gz BDNWGWWLNNRFFR-NRFANRHFSA-N 1 3 388.600 3.801 20 0 GHADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000558476902 932025137 /nfs/dbraw/zinc/02/51/37/932025137.db2.gz ZJABLCYBJZJVES-NJRJFZHGSA-N 1 3 383.580 3.618 20 0 GHADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000558476902 932025141 /nfs/dbraw/zinc/02/51/41/932025141.db2.gz ZJABLCYBJZJVES-NJRJFZHGSA-N 1 3 383.580 3.618 20 0 GHADHO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)n1 ZINC000927051403 932391632 /nfs/dbraw/zinc/39/16/32/932391632.db2.gz FCTSAOLGANWOPB-SSTJLMRISA-N 1 3 380.536 3.911 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000927156566 932434884 /nfs/dbraw/zinc/43/48/84/932434884.db2.gz LJUWSCCHKXVYMG-CBQOMJJJSA-N 1 3 376.544 3.864 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000927156566 932434891 /nfs/dbraw/zinc/43/48/91/932434891.db2.gz LJUWSCCHKXVYMG-CBQOMJJJSA-N 1 3 376.544 3.864 20 0 GHADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312248 932591694 /nfs/dbraw/zinc/59/16/94/932591694.db2.gz RGTUGTVHSMOBGZ-PKTZIBPZSA-N 1 3 397.588 3.762 20 0 GHADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312248 932591701 /nfs/dbraw/zinc/59/17/01/932591701.db2.gz RGTUGTVHSMOBGZ-PKTZIBPZSA-N 1 3 397.588 3.762 20 0 GHADHO CCCC[C@@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395840 932627911 /nfs/dbraw/zinc/62/79/11/932627911.db2.gz KSHUVVGXMWZESB-OFNKIYASSA-N 1 3 398.551 3.982 20 0 GHADHO O=C(CN1CCCCCCC1)Nc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000777663145 932749976 /nfs/dbraw/zinc/74/99/76/932749976.db2.gz AWZBDQOOHITWLE-YADHBBJMSA-N 1 3 384.568 3.930 20 0 GHADHO O=C(CN1CCCCCCC1)Nc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000777663145 932749979 /nfs/dbraw/zinc/74/99/79/932749979.db2.gz AWZBDQOOHITWLE-YADHBBJMSA-N 1 3 384.568 3.930 20 0 GHADHO COc1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)c(OCc2cccnc2)c1 ZINC000798957397 932839668 /nfs/dbraw/zinc/83/96/68/932839668.db2.gz VOFHZOKZQVYZSB-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799125412 932883135 /nfs/dbraw/zinc/88/31/35/932883135.db2.gz MYLICCZICHSFEP-HSZRJFAPSA-N 1 3 399.579 3.699 20 0 GHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799125412 932883139 /nfs/dbraw/zinc/88/31/39/932883139.db2.gz MYLICCZICHSFEP-HSZRJFAPSA-N 1 3 399.579 3.699 20 0 GHADHO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001116920430 933828775 /nfs/dbraw/zinc/82/87/75/933828775.db2.gz CDMGZCJBIVUJBS-QHCPKHFHSA-N 1 3 379.548 3.610 20 0 GHADHO O[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001120487790 934468349 /nfs/dbraw/zinc/46/83/49/934468349.db2.gz HSRPHJGQHCZNCJ-HXUWFJFHSA-N 1 3 394.346 3.924 20 0 GHADHO CC(C)C[C@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468020497 1015153819 /nfs/dbraw/zinc/15/38/19/1015153819.db2.gz FVEKADAEHVHKMR-UZKOGDIHSA-N 1 3 386.584 3.630 20 0 GHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000468122941 1015299696 /nfs/dbraw/zinc/29/96/96/1015299696.db2.gz YQLUGIRGVNOQRB-FDDCHVKYSA-N 1 3 386.499 3.812 20 0 GHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000468122941 1015299701 /nfs/dbraw/zinc/29/97/01/1015299701.db2.gz YQLUGIRGVNOQRB-FDDCHVKYSA-N 1 3 386.499 3.812 20 0 GHADHO CCOC(=O)[C@@](C)(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000470138227 1016734073 /nfs/dbraw/zinc/73/40/73/1016734073.db2.gz ODVJGWRQWXABFW-VWLOTQADSA-N 1 3 394.559 3.804 20 0 GHADHO CN(C)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000470753115 1016881643 /nfs/dbraw/zinc/88/16/43/1016881643.db2.gz CZGUYYSNHAXTGO-DHIUTWEWSA-N 1 3 394.563 3.595 20 0 GHADHO CN(C)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000470753115 1016881661 /nfs/dbraw/zinc/88/16/61/1016881661.db2.gz CZGUYYSNHAXTGO-DHIUTWEWSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc2c(c1)CCC(=O)N2C ZINC000187301557 1017025647 /nfs/dbraw/zinc/02/56/47/1017025647.db2.gz VVSCRZSUMALFIN-OALUTQOASA-N 1 3 391.559 3.842 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001221537094 1032452749 /nfs/dbraw/zinc/45/27/49/1032452749.db2.gz INOAVTDGALTRKG-OIBXWCBGSA-N 1 3 394.563 3.560 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001221537094 1032452753 /nfs/dbraw/zinc/45/27/53/1032452753.db2.gz INOAVTDGALTRKG-OIBXWCBGSA-N 1 3 394.563 3.560 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)N(C)C)cc1 ZINC001221537646 1032453420 /nfs/dbraw/zinc/45/34/20/1032453420.db2.gz PAVJRLHUAGZRLV-PTUXOGIPSA-N 1 3 394.563 3.560 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)N(C)C)cc1 ZINC001221537646 1032453425 /nfs/dbraw/zinc/45/34/25/1032453425.db2.gz PAVJRLHUAGZRLV-PTUXOGIPSA-N 1 3 394.563 3.560 20 0 GHADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000560928871 1017753874 /nfs/dbraw/zinc/75/38/74/1017753874.db2.gz UNSTZLNVJHZFNK-KRWDZBQOSA-N 1 3 394.401 3.733 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000569352590 1019479738 /nfs/dbraw/zinc/47/97/38/1019479738.db2.gz WASVATHCEYJYIX-ZVDOUQERSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000569352590 1019479748 /nfs/dbraw/zinc/47/97/48/1019479748.db2.gz WASVATHCEYJYIX-ZVDOUQERSA-N 1 3 388.577 3.777 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000575333272 1019933575 /nfs/dbraw/zinc/93/35/75/1019933575.db2.gz FLJNCRZWPMXVBE-AUSIDOKSSA-N 1 3 377.532 3.848 20 0 GHADHO CCOC(=O)N[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(C)C ZINC000779440935 1020791241 /nfs/dbraw/zinc/79/12/41/1020791241.db2.gz RXRQHDUDKDAHKP-KJJMTIBFSA-N 1 3 387.568 3.932 20 0 GHADHO CCOC(=O)N[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000779440935 1020791246 /nfs/dbraw/zinc/79/12/46/1020791246.db2.gz RXRQHDUDKDAHKP-KJJMTIBFSA-N 1 3 387.568 3.932 20 0 GHADHO Cc1ccc2n[nH]c(C[N@H+]3C[C@@H]4CCC[C@H](N(C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330600 1021422511 /nfs/dbraw/zinc/42/25/11/1021422511.db2.gz GWRFRCYGPORMFE-XZOYJPPVSA-N 1 3 389.547 3.999 20 0 GHADHO Cc1ccc2n[nH]c(C[N@@H+]3C[C@@H]4CCC[C@H](N(C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330600 1021422517 /nfs/dbraw/zinc/42/25/17/1021422517.db2.gz GWRFRCYGPORMFE-XZOYJPPVSA-N 1 3 389.547 3.999 20 0 GHADHO CC(CN1CC[C@H](Cc2ccncc2)C1)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680888965 1022241451 /nfs/dbraw/zinc/24/14/51/1022241451.db2.gz MMZSOLWFGVGETN-DNQXCXABSA-N 1 3 378.564 3.542 20 0 GHADHO CC(CN1CC[C@H](Cc2ccncc2)C1)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680888965 1022241464 /nfs/dbraw/zinc/24/14/64/1022241464.db2.gz MMZSOLWFGVGETN-DNQXCXABSA-N 1 3 378.564 3.542 20 0 GHADHO c1nc2cc[nH]cc-2c1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001140802781 1022571937 /nfs/dbraw/zinc/57/19/37/1022571937.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 1 3 394.563 3.523 20 0 GHADHO c1nc2cc[nH]cc-2c1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001140802781 1022571949 /nfs/dbraw/zinc/57/19/49/1022571949.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 1 3 394.563 3.523 20 0 GHADHO c1[nH]c2ccncc2c1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001140802781 1022571964 /nfs/dbraw/zinc/57/19/64/1022571964.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 1 3 394.563 3.523 20 0 GHADHO c1[nH]c2ccncc2c1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001140802781 1022571975 /nfs/dbraw/zinc/57/19/75/1022571975.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 1 3 394.563 3.523 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1[nH]cc(C)c1C)CC2 ZINC001140860933 1022722875 /nfs/dbraw/zinc/72/28/75/1022722875.db2.gz YVLTZWNKVGGODS-OAQYLSRUSA-N 1 3 382.552 3.530 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1[nH]cc(C)c1C)CC2 ZINC001140860933 1022722891 /nfs/dbraw/zinc/72/28/91/1022722891.db2.gz YVLTZWNKVGGODS-OAQYLSRUSA-N 1 3 382.552 3.530 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccn4ccnc4c2)CC3)c1 ZINC001141044034 1023374491 /nfs/dbraw/zinc/37/44/91/1023374491.db2.gz UZZRJWBAAULVIW-UHFFFAOYSA-N 1 3 390.531 3.831 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccn4ccnc4c2)CC3)c1 ZINC001141044034 1023374500 /nfs/dbraw/zinc/37/45/00/1023374500.db2.gz UZZRJWBAAULVIW-UHFFFAOYSA-N 1 3 390.531 3.831 20 0 GHADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000756643104 1023750523 /nfs/dbraw/zinc/75/05/23/1023750523.db2.gz RENSXGPHIKDRLG-HDYDNRTBSA-N 1 3 378.582 3.544 20 0 GHADHO CC(C)[C@H](C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC001141189823 1024053346 /nfs/dbraw/zinc/05/33/46/1024053346.db2.gz NBFOLJJRARFINH-FGZHOGPDSA-N 1 3 385.596 3.722 20 0 GHADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001138297195 1024579286 /nfs/dbraw/zinc/57/92/86/1024579286.db2.gz SQWSCRRPQHCHNZ-OAQYLSRUSA-N 1 3 385.596 3.664 20 0 GHADHO Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc(Cl)n1 ZINC000831933459 1025035724 /nfs/dbraw/zinc/03/57/24/1025035724.db2.gz JBKNOTZFOLLPCU-SJORKVTESA-N 1 3 395.334 3.506 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000838508485 1025183742 /nfs/dbraw/zinc/18/37/42/1025183742.db2.gz SJFJNABATSLJBQ-UHFFFAOYSA-N 1 3 392.613 3.618 20 0 GHADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]1Sc1ccccc1 ZINC000838950398 1025468008 /nfs/dbraw/zinc/46/80/08/1025468008.db2.gz NJQIYWCOIHNUTO-BDKRGJGYSA-N 1 3 390.593 3.558 20 0 GHADHO Cc1ccc2c(c1)[C@H](Nc1ccc3c(c1)COC31CNC1)CC21CC[NH2+]CC1 ZINC001163035868 1026018856 /nfs/dbraw/zinc/01/88/56/1026018856.db2.gz DMCPAQUMNSCTKO-JOCHJYFZSA-N 1 3 375.516 3.502 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccccc1Oc1ccc(F)cc1 ZINC001139299125 1026152503 /nfs/dbraw/zinc/15/25/03/1026152503.db2.gz PKITXKSBSDEHEH-FCHUYYIVSA-N 1 3 383.511 3.828 20 0 GHADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccccc1Oc1ccc(F)cc1 ZINC001139299125 1026152508 /nfs/dbraw/zinc/15/25/08/1026152508.db2.gz PKITXKSBSDEHEH-FCHUYYIVSA-N 1 3 383.511 3.828 20 0 GHADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC001461096069 1069386409 /nfs/dbraw/zinc/38/64/09/1069386409.db2.gz NZZJTDNVNIITIF-AQNXPRMDSA-N 1 3 375.576 3.789 20 0 GHADHO Cc1cc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c2ccccc2[nH+]1 ZINC001164199983 1026449134 /nfs/dbraw/zinc/44/91/34/1026449134.db2.gz YVFNMYBRRSNUPG-UHFFFAOYSA-N 1 3 388.519 3.568 20 0 GHADHO CN(C)C1(CNc2ccc(-c3nnc(-c4ccccc4)o3)cc2)CC[NH+](C)CC1 ZINC001164212733 1026454639 /nfs/dbraw/zinc/45/46/39/1026454639.db2.gz AELNPZJZJUMAKW-UHFFFAOYSA-N 1 3 391.519 3.842 20 0 GHADHO Cc1cc(N2CCN(Cc3cc(=O)n(C)c4ccccc34)CC2)c2ccccc2[nH+]1 ZINC001139753267 1026592307 /nfs/dbraw/zinc/59/23/07/1026592307.db2.gz WLTYZSCJUNIUFO-UHFFFAOYSA-N 1 3 398.510 3.717 20 0 GHADHO Cn1c(=O)cc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c2ccccc21 ZINC001139757533 1026596812 /nfs/dbraw/zinc/59/68/12/1026596812.db2.gz LQUOLIBHMYPCDH-UHFFFAOYSA-N 1 3 391.515 3.620 20 0 GHADHO Cn1c(=O)cc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c2ccccc21 ZINC001139757533 1026596816 /nfs/dbraw/zinc/59/68/16/1026596816.db2.gz LQUOLIBHMYPCDH-UHFFFAOYSA-N 1 3 391.515 3.620 20 0 GHADHO CC1(C)CN(C[C@H](O)c2ccc(F)cn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000834382282 1026962419 /nfs/dbraw/zinc/96/24/19/1026962419.db2.gz IZKDHMALGQHMSY-XZOQPEGZSA-N 1 3 397.538 3.877 20 0 GHADHO Clc1ccc(OC2CCN(Cc3cccc(N4CC[NH2+]CC4)c3)CC2)cc1 ZINC001209894448 1027264727 /nfs/dbraw/zinc/26/47/27/1027264727.db2.gz FBMKUYYSCCJYKN-UHFFFAOYSA-N 1 3 385.939 3.793 20 0 GHADHO COc1cc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)ccc1OC(C)=O ZINC001203829166 1027638812 /nfs/dbraw/zinc/63/88/12/1027638812.db2.gz GKQQSUHMLYZTLF-UHFFFAOYSA-N 1 3 398.503 3.702 20 0 GHADHO COc1cc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)ccc1OC(C)=O ZINC001203829166 1027638820 /nfs/dbraw/zinc/63/88/20/1027638820.db2.gz GKQQSUHMLYZTLF-UHFFFAOYSA-N 1 3 398.503 3.702 20 0 GHADHO CN(C)[C@@H](CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC001210837570 1027671866 /nfs/dbraw/zinc/67/18/66/1027671866.db2.gz RCCCRDNTMGFQAW-NRFANRHFSA-N 1 3 386.584 3.777 20 0 GHADHO CN(C)[C@H](CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC001210837571 1027672184 /nfs/dbraw/zinc/67/21/84/1027672184.db2.gz RCCCRDNTMGFQAW-OAQYLSRUSA-N 1 3 386.584 3.777 20 0 GHADHO CC(=O)Oc1ccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950505 1027743742 /nfs/dbraw/zinc/74/37/42/1027743742.db2.gz AKNBYAGYMNBHBL-TUACAJSNSA-N 1 3 393.531 3.739 20 0 GHADHO CC(=O)Oc1ccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950505 1027743760 /nfs/dbraw/zinc/74/37/60/1027743760.db2.gz AKNBYAGYMNBHBL-TUACAJSNSA-N 1 3 393.531 3.739 20 0 GHADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000841065471 1028083077 /nfs/dbraw/zinc/08/30/77/1028083077.db2.gz PSNVNTSCRLPBRZ-CEXWTWQISA-N 1 3 376.447 3.796 20 0 GHADHO CCOC(=O)c1ccc(C[NH+]2C[C@@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001142587683 1029112238 /nfs/dbraw/zinc/11/22/38/1029112238.db2.gz YZRWJWRANRICJQ-GOTSBHOMSA-N 1 3 378.516 3.736 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000842920719 1029685092 /nfs/dbraw/zinc/68/50/92/1029685092.db2.gz KQOIIVDWWGCWLJ-ZNLUXHQJSA-N 1 3 379.504 3.639 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000842920719 1029685101 /nfs/dbraw/zinc/68/51/01/1029685101.db2.gz KQOIIVDWWGCWLJ-ZNLUXHQJSA-N 1 3 379.504 3.639 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccn3ccnc13)CC2 ZINC001142952088 1029727113 /nfs/dbraw/zinc/72/71/13/1029727113.db2.gz FSNUPTMSQDDRKU-QFIPXVFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccn3ccnc13)CC2 ZINC001142952088 1029727121 /nfs/dbraw/zinc/72/71/21/1029727121.db2.gz FSNUPTMSQDDRKU-QFIPXVFZSA-N 1 3 390.531 3.590 20 0 GHADHO COc1ccc(CN2CCCC3(CCCC[NH2+]C3)CCC2)c(Br)n1 ZINC001222119800 1029970964 /nfs/dbraw/zinc/97/09/64/1029970964.db2.gz LWCFVRJMXIDHNO-UHFFFAOYSA-N 1 3 396.373 3.989 20 0 GHADHO COc1cc(CN2CCCC3(CCCC[NH2+]C3)CCC2)cnc1Br ZINC001222125295 1029972240 /nfs/dbraw/zinc/97/22/40/1029972240.db2.gz IZYWRTBSMSQMKX-UHFFFAOYSA-N 1 3 396.373 3.989 20 0 GHADHO FC(F)(F)c1cccnc1-c1ccc(C[NH+]2CCC3(CC2)CNCCO3)cc1 ZINC001222209158 1030007280 /nfs/dbraw/zinc/00/72/80/1030007280.db2.gz YDDZGPZSQPKJJY-UHFFFAOYSA-N 1 3 391.437 3.722 20 0 GHADHO CCOC(=O)[C@@H]1CC2(CN1C[C@H](C)c1cccc3ccccc31)CC[NH2+]CC2 ZINC001222216130 1030011411 /nfs/dbraw/zinc/01/14/11/1030011411.db2.gz XFQKMNQEHFDMDT-AVRDEDQJSA-N 1 3 380.532 3.951 20 0 GHADHO [NH3+]CC1(F)CCN(Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC1 ZINC001222548607 1030191956 /nfs/dbraw/zinc/19/19/56/1030191956.db2.gz UPZUUJJPUWAVDO-UHFFFAOYSA-N 1 3 383.389 3.910 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC001223499232 1030606268 /nfs/dbraw/zinc/60/62/68/1030606268.db2.gz RTZFHQFESKNWRB-JOCHJYFZSA-N 1 3 386.584 3.729 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@@H]6C[NH2+]C[C@H]6C)cc54)O[C@H](CN3C1)C2 ZINC001218034327 1030734911 /nfs/dbraw/zinc/73/49/11/1030734911.db2.gz POWSDJAIJANPSH-NSSNLNMRSA-N 1 3 393.531 3.536 20 0 GHADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001218938218 1031163275 /nfs/dbraw/zinc/16/32/75/1031163275.db2.gz QGWNFCUIXMGHQZ-FQEVSTJZSA-N 1 3 397.950 3.879 20 0 GHADHO O=C(Nc1cccc2c1C[NH2+]C2)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001218994709 1031200832 /nfs/dbraw/zinc/20/08/32/1031200832.db2.gz NFIZRQCZXYMCAI-UHFFFAOYSA-N 1 3 383.495 3.950 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219940921 1031708341 /nfs/dbraw/zinc/70/83/41/1031708341.db2.gz IGQJYUMBNPOWGP-XWGVYQGASA-N 1 3 391.559 3.898 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219940921 1031708354 /nfs/dbraw/zinc/70/83/54/1031708354.db2.gz IGQJYUMBNPOWGP-XWGVYQGASA-N 1 3 391.559 3.898 20 0 GHADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC001220384034 1031920022 /nfs/dbraw/zinc/92/00/22/1031920022.db2.gz HMZOFEAYHFCVJE-LEWJYISDSA-N 1 3 379.548 3.989 20 0 GHADHO Cc1cc(I)c(CN2CCC[C@](F)(C[NH3+])CC2)cc1C ZINC001205591325 1033482919 /nfs/dbraw/zinc/48/29/19/1033482919.db2.gz KLEQWPWNPQHIGJ-MRXNPFEDSA-N 1 3 390.284 3.561 20 0 GHADHO C[C@@H]1CCN(Cc2cc(OC(F)F)ccc2Br)CC[C@H]1C[NH3+] ZINC001205651277 1033511626 /nfs/dbraw/zinc/51/16/26/1033511626.db2.gz CCEAXVNFRVPNRJ-NEPJUHHUSA-N 1 3 377.273 3.857 20 0 GHADHO [NH3+]C1CCN(c2cccc(NCc3ccc(-c4ccnc(F)c4)c(F)c3)n2)CC1 ZINC001157366542 1033556344 /nfs/dbraw/zinc/55/63/44/1033556344.db2.gz JXXZDBORUIQWEM-UHFFFAOYSA-N 1 3 395.457 3.961 20 0 GHADHO N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@H]1F ZINC001206197805 1033760930 /nfs/dbraw/zinc/76/09/30/1033760930.db2.gz JKXDDDUKRFPZNJ-CVEARBPZSA-N 1 3 383.389 3.908 20 0 GHADHO N[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@H]1F ZINC001206197805 1033760948 /nfs/dbraw/zinc/76/09/48/1033760948.db2.gz JKXDDDUKRFPZNJ-CVEARBPZSA-N 1 3 383.389 3.908 20 0 GHADHO Cc1ccc(C[NH+]2C[C@@H]3CN(C[C@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211104 1034178942 /nfs/dbraw/zinc/17/89/42/1034178942.db2.gz ZSGQMNVSAWFVPB-YPAWHYETSA-N 1 3 399.579 3.616 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001207215713 1034182165 /nfs/dbraw/zinc/18/21/65/1034182165.db2.gz KUYGRNWAVVFRSF-NRFANRHFSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001207376739 1034321741 /nfs/dbraw/zinc/32/17/41/1034321741.db2.gz ZQMDOOSDLYAQOI-URXFXBBRSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001207376739 1034321751 /nfs/dbraw/zinc/32/17/51/1034321751.db2.gz ZQMDOOSDLYAQOI-URXFXBBRSA-N 1 3 399.579 3.984 20 0 GHADHO CN1CCC(C[NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001207399077 1034342257 /nfs/dbraw/zinc/34/22/57/1034342257.db2.gz YRKZOZIWHDZKOV-UHFFFAOYSA-N 1 3 379.342 3.686 20 0 GHADHO C[NH+]1CCC(CCN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001207488721 1034394660 /nfs/dbraw/zinc/39/46/60/1034394660.db2.gz PNGDEGWGQBWDOU-UHFFFAOYSA-N 1 3 375.557 3.745 20 0 GHADHO Clc1cccc(CCC[N@@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001207589310 1034469272 /nfs/dbraw/zinc/46/92/72/1034469272.db2.gz IJUSXQCSQWDLNL-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO Clc1cccc(CCC[N@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001207589310 1034469281 /nfs/dbraw/zinc/46/92/81/1034469281.db2.gz IJUSXQCSQWDLNL-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO COC(=O)c1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1O ZINC001231418327 1034569363 /nfs/dbraw/zinc/56/93/63/1034569363.db2.gz QTNURBLZEAIGGT-NHCUHLMSSA-N 1 3 394.515 3.523 20 0 GHADHO COC(=O)c1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1O ZINC001231418327 1034569364 /nfs/dbraw/zinc/56/93/64/1034569364.db2.gz QTNURBLZEAIGGT-NHCUHLMSSA-N 1 3 394.515 3.523 20 0 GHADHO CC(C)(C)c1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncn1 ZINC001159466690 1034608149 /nfs/dbraw/zinc/60/81/49/1034608149.db2.gz JWFDEMVPLKUMIO-UHFFFAOYSA-N 1 3 377.536 3.684 20 0 GHADHO CN1CCN(C2(c3ccc(Nc4ccc(C(C)(C)C[NH3+])cc4)cc3)CC2)CC1 ZINC001159580272 1034677996 /nfs/dbraw/zinc/67/79/96/1034677996.db2.gz MSQLCMLCIXGNIN-UHFFFAOYSA-N 1 3 378.564 3.903 20 0 GHADHO CCOC(=O)C1CCN(Cc2cccc(Nc3ccc4c(c3)C[NH2+]C4)c2)CC1 ZINC001159713695 1034720974 /nfs/dbraw/zinc/72/09/74/1034720974.db2.gz JMYFZQCFCBDPHF-UHFFFAOYSA-N 1 3 379.504 3.809 20 0 GHADHO CN1CCN(C2(c3ccc(Nc4ccc([C@H]5CC[NH2+]C5)cc4)cc3)CC2)CC1 ZINC001159776446 1034739629 /nfs/dbraw/zinc/73/96/29/1034739629.db2.gz UUNUEMHIQWLITJ-FQEVSTJZSA-N 1 3 376.548 3.744 20 0 GHADHO C[N@@H+]1CCC[C@@H](CN2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)C1 ZINC001208606576 1034951968 /nfs/dbraw/zinc/95/19/68/1034951968.db2.gz GKONZXKYRIQFPD-HXUWFJFHSA-N 1 3 381.564 3.509 20 0 GHADHO C[N@H+]1CCC[C@@H](CN2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)C1 ZINC001208606576 1034951970 /nfs/dbraw/zinc/95/19/70/1034951970.db2.gz GKONZXKYRIQFPD-HXUWFJFHSA-N 1 3 381.564 3.509 20 0 GHADHO Cc1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cnc1F ZINC001231929316 1034995678 /nfs/dbraw/zinc/99/56/78/1034995678.db2.gz WEQMBPXLTQKLPI-OAQYLSRUSA-N 1 3 383.511 3.785 20 0 GHADHO Cc1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnc1F ZINC001231929316 1034995682 /nfs/dbraw/zinc/99/56/82/1034995682.db2.gz WEQMBPXLTQKLPI-OAQYLSRUSA-N 1 3 383.511 3.785 20 0 GHADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3cc4cnccc4[nH]3)C[C@H]21 ZINC001232012641 1035042962 /nfs/dbraw/zinc/04/29/62/1035042962.db2.gz MCHVEDOSUGOUBF-APWZRJJASA-N 1 3 387.462 3.874 20 0 GHADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3cc4cnccc4[nH]3)C[C@H]21 ZINC001232012641 1035042969 /nfs/dbraw/zinc/04/29/69/1035042969.db2.gz MCHVEDOSUGOUBF-APWZRJJASA-N 1 3 387.462 3.874 20 0 GHADHO O=C(c1ccsc1)N1CCC2(CC[N@H+](Cc3cc4cnccc4[nH]3)C2)CC1 ZINC001232013994 1035043806 /nfs/dbraw/zinc/04/38/06/1035043806.db2.gz XBVZHYDCKXMFJS-UHFFFAOYSA-N 1 3 380.517 3.753 20 0 GHADHO O=C(c1ccsc1)N1CCC2(CC[N@@H+](Cc3cc4cnccc4[nH]3)C2)CC1 ZINC001232013994 1035043810 /nfs/dbraw/zinc/04/38/10/1035043810.db2.gz XBVZHYDCKXMFJS-UHFFFAOYSA-N 1 3 380.517 3.753 20 0 GHADHO C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN2CCC1CC2 ZINC001160725924 1035045647 /nfs/dbraw/zinc/04/56/47/1035045647.db2.gz IEVRPODYCBZYCJ-CVDCTZTESA-N 1 3 391.559 3.556 20 0 GHADHO O=C1Nc2ccccc2C12CCN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208930415 1035095348 /nfs/dbraw/zinc/09/53/48/1035095348.db2.gz BCGOZJGELLHMGY-OAQYLSRUSA-N 1 3 389.543 3.885 20 0 GHADHO O=C1Nc2ccccc2C12CCN(C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208930415 1035095359 /nfs/dbraw/zinc/09/53/59/1035095359.db2.gz BCGOZJGELLHMGY-OAQYLSRUSA-N 1 3 389.543 3.885 20 0 GHADHO C[NH+](C)CCOCc1ncn2c1CN(CCCCCc1ccccc1)CCC2 ZINC001209230045 1035212996 /nfs/dbraw/zinc/21/29/96/1035212996.db2.gz PQNGFFWBSPOBJB-UHFFFAOYSA-N 1 3 384.568 3.580 20 0 GHADHO CCOCCN(CCC[NH+]1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209454692 1035277749 /nfs/dbraw/zinc/27/77/49/1035277749.db2.gz SAYONKSSKUZBOW-UHFFFAOYSA-N 1 3 397.604 3.600 20 0 GHADHO c1c([C@H]2CNCCO2)cn2c1cccc2-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001245407957 1036911610 /nfs/dbraw/zinc/91/16/10/1036911610.db2.gz NDFUFRFQYXSDQG-XMMPIXPASA-N 1 3 391.515 3.536 20 0 GHADHO Fc1cc(Br)c(F)c(CN[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1F ZINC001246080210 1037189502 /nfs/dbraw/zinc/18/95/02/1037189502.db2.gz FVCQMDDLOKNOEF-QLJPJBMISA-N 1 3 377.248 3.878 20 0 GHADHO Cc1ccc2c(c1)C1(C[C@@H]2N[C@@H](C)CS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC001246167416 1037220697 /nfs/dbraw/zinc/22/06/97/1037220697.db2.gz DWXFFMDVUIKQCZ-AVRDEDQJSA-N 1 3 398.572 3.513 20 0 GHADHO COC(=O)CC1(N[C@H](C)CC(c2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC001246369320 1037326610 /nfs/dbraw/zinc/32/66/10/1037326610.db2.gz ZVMIWHUFDHYLQZ-LJQANCHMSA-N 1 3 380.532 3.872 20 0 GHADHO COC(=O)CC1([NH2+][C@H](C)CC(c2ccccc2)c2ccccc2)CCNCC1 ZINC001246369320 1037326624 /nfs/dbraw/zinc/32/66/24/1037326624.db2.gz ZVMIWHUFDHYLQZ-LJQANCHMSA-N 1 3 380.532 3.872 20 0 GHADHO COc1ccccc1C1(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246375573 1037332349 /nfs/dbraw/zinc/33/23/49/1037332349.db2.gz IMIFEXLYZVRHPV-TZIWHRDSSA-N 1 3 379.548 3.527 20 0 GHADHO CCCC[C@H]1C[C@@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)CCN1 ZINC001246407704 1037363710 /nfs/dbraw/zinc/36/37/10/1037363710.db2.gz SNMIHUQRAGMDEB-PMACEKPBSA-N 1 3 381.568 3.747 20 0 GHADHO CC[C@@H]1C[C@H](N[C@H]2CCCN(c3nc4ccccc4n3CC)C2)C[C@H](CC)[NH2+]1 ZINC001246408618 1037364199 /nfs/dbraw/zinc/36/41/99/1037364199.db2.gz VXFIPPRJLYDFSZ-ZGXWSNOMSA-N 1 3 383.584 3.924 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CCN1 ZINC001246416604 1037372347 /nfs/dbraw/zinc/37/23/47/1037372347.db2.gz SIBGARQPZGLTDC-CRAIPNDOSA-N 1 3 381.358 3.519 20 0 GHADHO C[C@H]1CC([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)C[C@H](C)N1 ZINC001246416576 1037373312 /nfs/dbraw/zinc/37/33/12/1037373312.db2.gz SBNRDRVUHFFDNU-HOTGVXAUSA-N 1 3 395.385 3.907 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCC[NH2+][C@@H]3CCC[C@H](C)C3)ccc12 ZINC001246498234 1037441705 /nfs/dbraw/zinc/44/17/05/1037441705.db2.gz VQQNLENHHGTVCY-VPWXQRGCSA-N 1 3 399.535 3.706 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCC[NH2+]C3CCCCCC3)ccc12 ZINC001246498527 1037442130 /nfs/dbraw/zinc/44/21/30/1037442130.db2.gz XQMCMLVWNNNRIS-FQEVSTJZSA-N 1 3 399.535 3.850 20 0 GHADHO Oc1ccc(Br)c(CC[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246505451 1037446611 /nfs/dbraw/zinc/44/66/11/1037446611.db2.gz WJAPRXVXNRUFGQ-MSOLQXFVSA-N 1 3 389.337 3.650 20 0 GHADHO OC1(c2ccc(Cl)cc2)CC[NH+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246519782 1037455105 /nfs/dbraw/zinc/45/51/05/1037455105.db2.gz QCHJUSWTXNRSJZ-VXKWHMMOSA-N 1 3 384.951 3.987 20 0 GHADHO CCOC(=O)CC1CCC([N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246671056 1037537671 /nfs/dbraw/zinc/53/76/71/1037537671.db2.gz FVXAWOCGSXHGCR-YIDVEJIYSA-N 1 3 384.564 3.752 20 0 GHADHO CCOC(=O)CC1CCC([N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246671056 1037537689 /nfs/dbraw/zinc/53/76/89/1037537689.db2.gz FVXAWOCGSXHGCR-YIDVEJIYSA-N 1 3 384.564 3.752 20 0 GHADHO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@@H]4CCN[C@@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710866 1037565556 /nfs/dbraw/zinc/56/55/56/1037565556.db2.gz URPJZCGGWJMGFG-ZFFYZDHPSA-N 1 3 375.560 3.852 20 0 GHADHO Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@@H]4CCN[C@@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710866 1037565559 /nfs/dbraw/zinc/56/55/59/1037565559.db2.gz URPJZCGGWJMGFG-ZFFYZDHPSA-N 1 3 375.560 3.852 20 0 GHADHO CC[C@@H]1C[C@@H](N2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246755227 1037595308 /nfs/dbraw/zinc/59/53/08/1037595308.db2.gz HYVUSDMMGVETEJ-BMQTXXJKSA-N 1 3 375.582 3.795 20 0 GHADHO N[C@@H]1CN([C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246822238 1037655899 /nfs/dbraw/zinc/65/58/99/1037655899.db2.gz WGFWZEGMQHJWMT-QERLCLQCSA-N 1 3 393.550 3.732 20 0 GHADHO N[C@@H]1CN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246822238 1037655915 /nfs/dbraw/zinc/65/59/15/1037655915.db2.gz WGFWZEGMQHJWMT-QERLCLQCSA-N 1 3 393.550 3.732 20 0 GHADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001278472250 1037731636 /nfs/dbraw/zinc/73/16/36/1037731636.db2.gz GSABWZDLHSHMEW-OALUTQOASA-N 1 3 390.984 3.674 20 0 GHADHO C[C@@H]1CC([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)C[C@@H](C)O1 ZINC001246937841 1037742521 /nfs/dbraw/zinc/74/25/21/1037742521.db2.gz NALSCQOFPLDPHO-HUUCEWRRSA-N 1 3 381.358 3.959 20 0 GHADHO C[C@@H]1CC([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)C[C@@H](C)O1 ZINC001246937841 1037742537 /nfs/dbraw/zinc/74/25/37/1037742537.db2.gz NALSCQOFPLDPHO-HUUCEWRRSA-N 1 3 381.358 3.959 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952455 1037756863 /nfs/dbraw/zinc/75/68/63/1037756863.db2.gz SSNHPJCFGUJTQU-WIYYLYMNSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952455 1037756877 /nfs/dbraw/zinc/75/68/77/1037756877.db2.gz SSNHPJCFGUJTQU-WIYYLYMNSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954572 1037762350 /nfs/dbraw/zinc/76/23/50/1037762350.db2.gz IGGSJABCCUMYDQ-IAGOWNOFSA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954572 1037762367 /nfs/dbraw/zinc/76/23/67/1037762367.db2.gz IGGSJABCCUMYDQ-IAGOWNOFSA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246954572 1037762386 /nfs/dbraw/zinc/76/23/86/1037762386.db2.gz IGGSJABCCUMYDQ-IAGOWNOFSA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246960944 1037779458 /nfs/dbraw/zinc/77/94/58/1037779458.db2.gz FFDJSPCYXDIQHN-UTKZUKDTSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246960944 1037779472 /nfs/dbraw/zinc/77/94/72/1037779472.db2.gz FFDJSPCYXDIQHN-UTKZUKDTSA-N 1 3 376.516 3.810 20 0 GHADHO C[C@@H]1CC[C@@H](N2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)C[NH2+]1 ZINC001246998728 1037822938 /nfs/dbraw/zinc/82/29/38/1037822938.db2.gz ZRVAWPXAVVSXIG-NFBKMPQASA-N 1 3 375.560 3.924 20 0 GHADHO COC(=O)[C@H]1CCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000416 1037823381 /nfs/dbraw/zinc/82/33/81/1037823381.db2.gz MGYDGQOMPLKOJY-MLCQCVOFSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@H]1CC[N@@H+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000416 1037823409 /nfs/dbraw/zinc/82/34/09/1037823409.db2.gz MGYDGQOMPLKOJY-MLCQCVOFSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@H]1CC[N@H+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000416 1037823433 /nfs/dbraw/zinc/82/34/33/1037823433.db2.gz MGYDGQOMPLKOJY-MLCQCVOFSA-N 1 3 378.516 3.586 20 0 GHADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC001462296820 1070153277 /nfs/dbraw/zinc/15/32/77/1070153277.db2.gz FZTTZJFLRMQJJS-UXHICEINSA-N 1 3 375.557 3.628 20 0 GHADHO Cc1ncc(F)cc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001232987875 1038751895 /nfs/dbraw/zinc/75/18/95/1038751895.db2.gz FQRQUTINVXUTQQ-QFIPXVFZSA-N 1 3 383.511 3.785 20 0 GHADHO Cc1ncc(F)cc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001232987875 1038751901 /nfs/dbraw/zinc/75/19/01/1038751901.db2.gz FQRQUTINVXUTQQ-QFIPXVFZSA-N 1 3 383.511 3.785 20 0 GHADHO COCOc1cccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281195 1039055200 /nfs/dbraw/zinc/05/52/00/1039055200.db2.gz RAYFBRCTXRTMOD-TUACAJSNSA-N 1 3 395.547 3.797 20 0 GHADHO COCOc1cccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281195 1039055209 /nfs/dbraw/zinc/05/52/09/1039055209.db2.gz RAYFBRCTXRTMOD-TUACAJSNSA-N 1 3 395.547 3.797 20 0 GHADHO Cc1ccc(CN2C[C@H]3C[NH+](Cc4ccc(O)c5[nH]c(=O)ccc45)C[C@@H]3C2)cc1 ZINC001233292600 1039079903 /nfs/dbraw/zinc/07/99/03/1039079903.db2.gz REKYXNKWCJOMRI-PMACEKPBSA-N 1 3 389.499 3.518 20 0 GHADHO CCCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252757956 1039141141 /nfs/dbraw/zinc/14/11/41/1039141141.db2.gz JUHSBSVQNUXKGG-NRFANRHFSA-N 1 3 376.585 3.920 20 0 GHADHO CCCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252757956 1039141149 /nfs/dbraw/zinc/14/11/49/1039141149.db2.gz JUHSBSVQNUXKGG-NRFANRHFSA-N 1 3 376.585 3.920 20 0 GHADHO Cc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)cc1 ZINC001253822286 1039827530 /nfs/dbraw/zinc/82/75/30/1039827530.db2.gz HKAYKXPOIPZFND-NZQKXSOJSA-N 1 3 398.547 3.704 20 0 GHADHO Cc1c[nH+]ccc1N1CCN(C[C@H](O)C(c2ccccc2)c2ccccc2)CC1 ZINC001253929975 1039909546 /nfs/dbraw/zinc/90/95/46/1039909546.db2.gz TZHXLTZJJVVDDR-DEOSSOPVSA-N 1 3 387.527 3.705 20 0 GHADHO OC1(CNc2ccncc2Oc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001254029297 1039963265 /nfs/dbraw/zinc/96/32/65/1039963265.db2.gz CMAYAMMMKORQIY-UHFFFAOYSA-N 1 3 389.499 3.735 20 0 GHADHO COc1cccc([C@H]2CCC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)c1 ZINC001254040921 1039969764 /nfs/dbraw/zinc/96/97/64/1039969764.db2.gz DHXCCZISLRUYDG-QHCPKHFHSA-N 1 3 394.559 3.902 20 0 GHADHO COc1cccc([C@H]2CCC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)c1 ZINC001254040921 1039969773 /nfs/dbraw/zinc/96/97/73/1039969773.db2.gz DHXCCZISLRUYDG-QHCPKHFHSA-N 1 3 394.559 3.902 20 0 GHADHO CCCCOc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001254049836 1039974901 /nfs/dbraw/zinc/97/49/01/1039974901.db2.gz ODHKLRKHEDQNKP-UHFFFAOYSA-N 1 3 382.548 3.982 20 0 GHADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254260468 1040106383 /nfs/dbraw/zinc/10/63/83/1040106383.db2.gz CAIJWLSWODKOKP-LJQANCHMSA-N 1 3 393.572 3.641 20 0 GHADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254260468 1040106392 /nfs/dbraw/zinc/10/63/92/1040106392.db2.gz CAIJWLSWODKOKP-LJQANCHMSA-N 1 3 393.572 3.641 20 0 GHADHO CN1CCC[C@@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001254533649 1040305895 /nfs/dbraw/zinc/30/58/95/1040305895.db2.gz OLBTVBPVUGTPPF-JOCHJYFZSA-N 1 3 379.548 3.872 20 0 GHADHO Fc1c(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)ccnc1Br ZINC001235092872 1040582583 /nfs/dbraw/zinc/58/25/83/1040582583.db2.gz HSXMBDXWHJGAJB-UHFFFAOYSA-N 1 3 390.300 3.620 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255022235 1040734274 /nfs/dbraw/zinc/73/42/74/1040734274.db2.gz FBCZDKJMWVMANT-XMMPIXPASA-N 1 3 376.544 3.909 20 0 GHADHO CCC(CC)C(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255130664 1040825348 /nfs/dbraw/zinc/82/53/48/1040825348.db2.gz HBTJFJWAGYSUBP-ODAXIHTASA-N 1 3 383.580 3.809 20 0 GHADHO CCC(CC)C(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255130664 1040825371 /nfs/dbraw/zinc/82/53/71/1040825371.db2.gz HBTJFJWAGYSUBP-ODAXIHTASA-N 1 3 383.580 3.809 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@]4(C[C@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142053 1040851851 /nfs/dbraw/zinc/85/18/51/1040851851.db2.gz FREMXEXHBSDGOS-QVXKZJQXSA-N 1 3 396.575 3.842 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@]4(C[C@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142053 1040851862 /nfs/dbraw/zinc/85/18/62/1040851862.db2.gz FREMXEXHBSDGOS-QVXKZJQXSA-N 1 3 396.575 3.842 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(N)(c3ccccc3Cl)CC1)C2 ZINC001255190903 1040897172 /nfs/dbraw/zinc/89/71/72/1040897172.db2.gz BWHRPHJVDNEUNH-FVQHAEBGSA-N 1 3 391.943 3.742 20 0 GHADHO Brc1cnc2[nH]cc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235424318 1040926629 /nfs/dbraw/zinc/92/66/29/1040926629.db2.gz GVXMKUBEIIYPJD-KGLIPLIRSA-N 1 3 377.330 3.537 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCC3(CC(N(C)Cc4ccncc4)C3)CC2)C1 ZINC001255359411 1040961933 /nfs/dbraw/zinc/96/19/33/1040961933.db2.gz BMBACBPKYUQKBC-LEWJYISDSA-N 1 3 399.579 3.880 20 0 GHADHO COC(=O)C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391676 1040980598 /nfs/dbraw/zinc/98/05/98/1040980598.db2.gz BFVCYFLWTYFOKF-JTHBVZDNSA-N 1 3 396.531 3.944 20 0 GHADHO FC1(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)CC[NH2+]CC1 ZINC001235564402 1040991048 /nfs/dbraw/zinc/99/10/48/1040991048.db2.gz QLFPFBAZWNDANS-UHFFFAOYSA-N 1 3 393.510 3.667 20 0 GHADHO Cc1cccc(CN2CC[C@@]3(CCN(CCC[NH2+]C4CCCCC4)C3)C2=O)c1 ZINC001235568674 1040993345 /nfs/dbraw/zinc/99/33/45/1040993345.db2.gz GOGFBZHLLHAKBX-XMMPIXPASA-N 1 3 383.580 3.732 20 0 GHADHO FC(F)(F)c1nn([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1CNCC2 ZINC001255408539 1040994457 /nfs/dbraw/zinc/99/44/57/1040994457.db2.gz NHEQTUSJODIMJL-MRXNPFEDSA-N 1 3 378.442 3.775 20 0 GHADHO FC(F)(F)c1nn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CNCC2 ZINC001255408539 1040994467 /nfs/dbraw/zinc/99/44/67/1040994467.db2.gz NHEQTUSJODIMJL-MRXNPFEDSA-N 1 3 378.442 3.775 20 0 GHADHO Cc1ccnc(O[C@H]2CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)n1 ZINC001255408817 1040996639 /nfs/dbraw/zinc/99/66/39/1040996639.db2.gz BZTLDXNXWGROPD-YADHBBJMSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1ccnc(O[C@H]2CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)n1 ZINC001255408817 1040996640 /nfs/dbraw/zinc/99/66/40/1040996640.db2.gz BZTLDXNXWGROPD-YADHBBJMSA-N 1 3 380.536 3.683 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001255592764 1041150921 /nfs/dbraw/zinc/15/09/21/1041150921.db2.gz HYILCFJUZTUGLH-IBGZPJMESA-N 1 3 391.531 3.637 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235689411 1041160371 /nfs/dbraw/zinc/16/03/71/1041160371.db2.gz PJQZKUBGCFIPEK-QGZVFWFLSA-N 1 3 398.482 3.551 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235689411 1041160379 /nfs/dbraw/zinc/16/03/79/1041160379.db2.gz PJQZKUBGCFIPEK-QGZVFWFLSA-N 1 3 398.482 3.551 20 0 GHADHO C[C@@H](CC(F)(F)F)NC1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001255632824 1041183031 /nfs/dbraw/zinc/18/30/31/1041183031.db2.gz FKXQWUKLAGDWME-AWEZNQCLSA-N 1 3 393.494 3.781 20 0 GHADHO CN(CCc1cccc(Cl)c1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235839034 1041365674 /nfs/dbraw/zinc/36/56/74/1041365674.db2.gz HLOWYLYAMUPRMQ-UHFFFAOYSA-N 1 3 383.927 3.524 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@H+](C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001255962613 1041442820 /nfs/dbraw/zinc/44/28/20/1041442820.db2.gz XKTXMIYLGTVCKU-LJQANCHMSA-N 1 3 391.600 3.720 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@@H+](C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001255962613 1041442822 /nfs/dbraw/zinc/44/28/22/1041442822.db2.gz XKTXMIYLGTVCKU-LJQANCHMSA-N 1 3 391.600 3.720 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001255963472 1041445237 /nfs/dbraw/zinc/44/52/37/1041445237.db2.gz QRQBPHBAMARGBO-SFHVURJKSA-N 1 3 377.598 3.797 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001255963472 1041445251 /nfs/dbraw/zinc/44/52/51/1041445251.db2.gz QRQBPHBAMARGBO-SFHVURJKSA-N 1 3 377.598 3.797 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001255963472 1041445260 /nfs/dbraw/zinc/44/52/60/1041445260.db2.gz QRQBPHBAMARGBO-SFHVURJKSA-N 1 3 377.598 3.797 20 0 GHADHO CCN(Cc1ccc(Br)cc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235961964 1041468788 /nfs/dbraw/zinc/46/87/88/1041468788.db2.gz IDIBHUHTYFALGJ-UHFFFAOYSA-N 1 3 388.353 3.881 20 0 GHADHO Fc1ccc(-c2n[nH]cc2CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235975216 1041479792 /nfs/dbraw/zinc/47/97/92/1041479792.db2.gz RLTXHDUEHGQFBK-UHFFFAOYSA-N 1 3 376.479 3.853 20 0 GHADHO Fc1c(CN2CCCCC2)cccc1-c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001236003765 1041495304 /nfs/dbraw/zinc/49/53/04/1041495304.db2.gz BZVRJUVWKKFBJM-UHFFFAOYSA-N 1 3 384.499 3.647 20 0 GHADHO O=C(NC1CC[NH2+]CC1)c1ccccc1-c1cccc(CN2CCCCC2)c1F ZINC001236016104 1041508624 /nfs/dbraw/zinc/50/86/24/1041508624.db2.gz CADQMNGECIPVFD-UHFFFAOYSA-N 1 3 395.522 3.960 20 0 GHADHO C[NH2+]C1CCC(N(C)Cc2cc(I)ccc2Cl)CC1 ZINC001236215628 1041626459 /nfs/dbraw/zinc/62/64/59/1041626459.db2.gz FSZKHYXEMSTWDX-UHFFFAOYSA-N 1 3 392.712 3.907 20 0 GHADHO COc1ccc(-c2c(CN(C[C@@H]3CCC[NH2+]C3)C3CCCC3)cnn2C)cc1 ZINC001236375384 1041687220 /nfs/dbraw/zinc/68/72/20/1041687220.db2.gz JUBRCYRLHQUSTR-GOSISDBHSA-N 1 3 382.552 3.840 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256461177 1041742634 /nfs/dbraw/zinc/74/26/34/1041742634.db2.gz IARZOAIBHLXRLE-QWFCFKBJSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256461177 1041742640 /nfs/dbraw/zinc/74/26/40/1041742640.db2.gz IARZOAIBHLXRLE-QWFCFKBJSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256461177 1041742644 /nfs/dbraw/zinc/74/26/44/1041742644.db2.gz IARZOAIBHLXRLE-QWFCFKBJSA-N 1 3 375.557 3.871 20 0 GHADHO CN(C)Cc1cc(F)cc(CN(Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c1 ZINC001236506586 1041745204 /nfs/dbraw/zinc/74/52/04/1041745204.db2.gz OJVRLDIPMUCGGC-UHFFFAOYSA-N 1 3 391.481 3.920 20 0 GHADHO Cc1cccc(CN2CCC(N3CC[C@@H]([NH3+])C3)CC2)c1OCc1ccccc1 ZINC001236622129 1041787561 /nfs/dbraw/zinc/78/75/61/1041787561.db2.gz OLJMBRIDXSSWKU-JOCHJYFZSA-N 1 3 379.548 3.571 20 0 GHADHO Cc1ccc(OCc2ccccc2)c(CN2CC[C@@H](N3CCC([NH3+])CC3)C2)c1 ZINC001236624343 1041789796 /nfs/dbraw/zinc/78/97/96/1041789796.db2.gz YZKHMHOMFKTDFA-HSZRJFAPSA-N 1 3 379.548 3.571 20 0 GHADHO COCCCOc1cc(CN2CCC(CC3CC[NH2+]CC3)CC2)ccc1OC ZINC001236962365 1041971192 /nfs/dbraw/zinc/97/11/92/1041971192.db2.gz WZVNHJCRMSRLNS-UHFFFAOYSA-N 1 3 390.568 3.712 20 0 GHADHO Cc1ccc(-c2cncc(CN3CCN(CC4CC[NH+](C)CC4)CC3)c2)cc1 ZINC001236995691 1041982896 /nfs/dbraw/zinc/98/28/96/1041982896.db2.gz DPPRXTDYQBNDHJ-UHFFFAOYSA-N 1 3 378.564 3.516 20 0 GHADHO C[NH+]1CCN(c2cc(Br)ccc2CN2CCC23CCCC3)CC1 ZINC001237096373 1042033842 /nfs/dbraw/zinc/03/38/42/1042033842.db2.gz VCLBSLDVIZXRCM-UHFFFAOYSA-N 1 3 378.358 3.719 20 0 GHADHO Brc1ccc(C[C@H]2CCCN2Cc2nc3c(s2)C[NH2+]CC3)cc1 ZINC001237259749 1042111841 /nfs/dbraw/zinc/11/18/41/1042111841.db2.gz XVTIMGREFHNAHJ-OAHLLOKOSA-N 1 3 392.366 3.758 20 0 GHADHO CCOC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3Cl)o2)CCC12C[NH2+]C2 ZINC001237431676 1042205202 /nfs/dbraw/zinc/20/52/02/1042205202.db2.gz TXZCJFZTYPBGIY-KRWDZBQOSA-N 1 3 388.895 3.575 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)cc21 ZINC001237878336 1042406247 /nfs/dbraw/zinc/40/62/47/1042406247.db2.gz PFDYGZOGXFABFM-BGYRXZFFSA-N 1 3 397.563 3.987 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)cc21 ZINC001237878336 1042406249 /nfs/dbraw/zinc/40/62/49/1042406249.db2.gz PFDYGZOGXFABFM-BGYRXZFFSA-N 1 3 397.563 3.987 20 0 GHADHO Clc1ccc(CC[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c(Cl)c1 ZINC001278215850 1042550824 /nfs/dbraw/zinc/55/08/24/1042550824.db2.gz IKVQRDDRQUNLNP-UHFFFAOYSA-N 1 3 393.362 3.830 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CCN1Cc1ccccc1 ZINC001256534624 1043469347 /nfs/dbraw/zinc/46/93/47/1043469347.db2.gz SWASBYKXYSDYTL-FPOVZHCZSA-N 1 3 395.547 3.782 20 0 GHADHO C[C@H]1C[C@H](N2CCN(CCc3cccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256551466 1043516088 /nfs/dbraw/zinc/51/60/88/1043516088.db2.gz SANWJHNMDRHHSI-RBBKRZOGSA-N 1 3 383.605 3.961 20 0 GHADHO C[C@H]1C[C@H](N2CCN(CCc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256551466 1043516101 /nfs/dbraw/zinc/51/61/01/1043516101.db2.gz SANWJHNMDRHHSI-RBBKRZOGSA-N 1 3 383.605 3.961 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C1CCN(C(C)(C)C)CC1)C2 ZINC001256569847 1043541984 /nfs/dbraw/zinc/54/19/84/1043541984.db2.gz QLIGPOAQCMYQPT-QFIPXVFZSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](C1CCN(C(C)(C)C)CC1)C2 ZINC001256569847 1043541997 /nfs/dbraw/zinc/54/19/97/1043541997.db2.gz QLIGPOAQCMYQPT-QFIPXVFZSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)[NH+]1CCC(N2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CC1 ZINC001256574011 1043548106 /nfs/dbraw/zinc/54/81/06/1043548106.db2.gz UENNYNYQNQTJLC-UHFFFAOYSA-N 1 3 389.609 3.939 20 0 GHADHO C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC001256681718 1043619598 /nfs/dbraw/zinc/61/95/98/1043619598.db2.gz AFAQRCXRQXYTPI-QUVATAORSA-N 1 3 394.559 3.544 20 0 GHADHO Brc1ccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256686239 1043622374 /nfs/dbraw/zinc/62/23/74/1043622374.db2.gz NBEYEZHQEJRFBF-UHFFFAOYSA-N 1 3 379.342 3.671 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC001256788878 1043652358 /nfs/dbraw/zinc/65/23/58/1043652358.db2.gz BTPKNOMYYZNWOW-RPBOFIJWSA-N 1 3 393.575 3.834 20 0 GHADHO COc1cc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)ccc1Cl ZINC001256862502 1043707338 /nfs/dbraw/zinc/70/73/38/1043707338.db2.gz MOCDKUKRNXCPHL-UHFFFAOYSA-N 1 3 386.927 3.535 20 0 GHADHO CSc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4cc(C)nn4C)CC[C@@H]3C2)s1 ZINC001279078033 1044429703 /nfs/dbraw/zinc/42/97/03/1044429703.db2.gz YWDSARWQBQEYGZ-CALCHBBNSA-N 1 3 390.622 3.856 20 0 GHADHO CSc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4cc(C)nn4C)CC[C@@H]3C2)s1 ZINC001279078033 1044429705 /nfs/dbraw/zinc/42/97/05/1044429705.db2.gz YWDSARWQBQEYGZ-CALCHBBNSA-N 1 3 390.622 3.856 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001295977081 1045204714 /nfs/dbraw/zinc/20/47/14/1045204714.db2.gz GXJCFABDFGJYEY-ZCNNSNEGSA-N 1 3 390.620 3.585 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001295977081 1045204722 /nfs/dbraw/zinc/20/47/22/1045204722.db2.gz GXJCFABDFGJYEY-ZCNNSNEGSA-N 1 3 390.620 3.585 20 0 GHADHO C[NH+](C)C1CCN(C(=O)C23CC(NCc4cc(Cl)ccc4Cl)(C2)C3)CC1 ZINC001280338763 1048192460 /nfs/dbraw/zinc/19/24/60/1048192460.db2.gz JOOLNPHRVBHZNR-UHFFFAOYSA-N 1 3 396.362 3.558 20 0 GHADHO c1cn([C@H]2CCCN(CCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)nn1 ZINC001307967251 1049728266 /nfs/dbraw/zinc/72/82/66/1049728266.db2.gz BUYKXUCNOOAYMT-QHCPKHFHSA-N 1 3 381.568 3.650 20 0 GHADHO COC(=O)c1cc(C2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)no1 ZINC001308028592 1049779890 /nfs/dbraw/zinc/77/98/90/1049779890.db2.gz YITKDXUOLNBRJZ-UHFFFAOYSA-N 1 3 397.519 3.827 20 0 GHADHO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001308281125 1049935630 /nfs/dbraw/zinc/93/56/30/1049935630.db2.gz IUPFJWFKVXCKEC-RTBURBONSA-N 1 3 384.568 3.777 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc(OC(F)(F)F)c1 ZINC001308344575 1049954015 /nfs/dbraw/zinc/95/40/15/1049954015.db2.gz PEQYLJOJGRZFOI-LJQANCHMSA-N 1 3 394.437 3.832 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc(OC(F)(F)F)c1 ZINC001308344575 1049954017 /nfs/dbraw/zinc/95/40/17/1049954017.db2.gz PEQYLJOJGRZFOI-LJQANCHMSA-N 1 3 394.437 3.832 20 0 GHADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3cn(C4CC4)cn3)cc2)C[C@@H]1C ZINC001308352511 1049956442 /nfs/dbraw/zinc/95/64/42/1049956442.db2.gz FEJUIQDTFUDGIZ-OALUTQOASA-N 1 3 382.552 3.517 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC001308515576 1049995895 /nfs/dbraw/zinc/99/58/95/1049995895.db2.gz ZOXPQSJHXIWRJT-IBGZPJMESA-N 1 3 379.548 3.832 20 0 GHADHO COC(=O)c1ccc(CNCCC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC001308886118 1050140530 /nfs/dbraw/zinc/14/05/30/1050140530.db2.gz KQTXMMQWIUBRKM-UHFFFAOYSA-N 1 3 397.357 3.836 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccsc1 ZINC001311393484 1052084469 /nfs/dbraw/zinc/08/44/69/1052084469.db2.gz DVLPDVPGSPVPIP-ZWKOTPCHSA-N 1 3 382.618 3.797 20 0 GHADHO CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001311578869 1052260337 /nfs/dbraw/zinc/26/03/37/1052260337.db2.gz UQLQMCBNQQOPQB-JOCHJYFZSA-N 1 3 398.595 3.701 20 0 GHADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001312012069 1052527794 /nfs/dbraw/zinc/52/77/94/1052527794.db2.gz LNWVNAVYKZTDFQ-RTWAWAEBSA-N 1 3 386.584 3.633 20 0 GHADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001312012069 1052527797 /nfs/dbraw/zinc/52/77/97/1052527797.db2.gz LNWVNAVYKZTDFQ-RTWAWAEBSA-N 1 3 386.584 3.633 20 0 GHADHO CN(C)[C@@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC001312164289 1052608725 /nfs/dbraw/zinc/60/87/25/1052608725.db2.gz KFVKCEVDBMEDDN-FQEVSTJZSA-N 1 3 392.975 3.603 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)s1 ZINC001322277279 1056603568 /nfs/dbraw/zinc/60/35/68/1056603568.db2.gz UBRDPXRXIYSYBO-IBGZPJMESA-N 1 3 385.577 3.903 20 0 GHADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001300624415 1056705821 /nfs/dbraw/zinc/70/58/21/1056705821.db2.gz NFZWFWCRAVLRBP-QZTJIDSGSA-N 1 3 379.976 3.883 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001200762131 1056912677 /nfs/dbraw/zinc/91/26/77/1056912677.db2.gz UAOLVLBPDLSRRN-LJQANCHMSA-N 1 3 385.527 3.915 20 0 GHADHO CC(C)c1nc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000849073298 1057581808 /nfs/dbraw/zinc/58/18/08/1057581808.db2.gz GBQKOCZJALVXIH-UHFFFAOYSA-N 1 3 385.581 3.588 20 0 GHADHO Cc1csc(CCCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000849074574 1057582458 /nfs/dbraw/zinc/58/24/58/1057582458.db2.gz ZCHAGCJVYCAIRH-UHFFFAOYSA-N 1 3 385.581 3.553 20 0 GHADHO Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327006029 1057584855 /nfs/dbraw/zinc/58/48/55/1057584855.db2.gz UMYTZNICVANLGD-IBGZPJMESA-N 1 3 378.944 3.863 20 0 GHADHO [NH2+]=C(NCCc1ccc(F)cc1Cl)NC1CCN(Cc2ccccc2)CC1 ZINC000849090145 1057590589 /nfs/dbraw/zinc/59/05/89/1057590589.db2.gz SHFBSCCBKUHZLM-UHFFFAOYSA-N 1 3 388.918 3.800 20 0 GHADHO [NH2+]=C(NC[C@@H]1CCC2(CCCCC2)O1)NC1CCN(Cc2ccccc2)CC1 ZINC000849093067 1057591902 /nfs/dbraw/zinc/59/19/02/1057591902.db2.gz PQJXIQRNNWHYNS-NRFANRHFSA-N 1 3 384.568 3.647 20 0 GHADHO CN(C)C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC001454542346 1061828435 /nfs/dbraw/zinc/82/84/35/1061828435.db2.gz RYIFXJZPHBSKAC-IBGZPJMESA-N 1 3 393.453 3.800 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001436160477 1063248496 /nfs/dbraw/zinc/24/84/96/1063248496.db2.gz BCPMKCQWHRMTSN-HSZRJFAPSA-N 1 3 389.559 3.747 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCCCC[C@@H]3C(C)C)cc2)CC1 ZINC001459830669 1064236272 /nfs/dbraw/zinc/23/62/72/1064236272.db2.gz MAYBAIBTIRBVQE-JOCHJYFZSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCCCC[C@@H]3C(C)C)cc2)CC1 ZINC001459830669 1064236279 /nfs/dbraw/zinc/23/62/79/1064236279.db2.gz MAYBAIBTIRBVQE-JOCHJYFZSA-N 1 3 386.584 3.668 20 0 GHADHO Cc1cc(C)c(/C=C/CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)c1 ZINC001200046599 1065068405 /nfs/dbraw/zinc/06/84/05/1065068405.db2.gz TUVAJGOIODTWCQ-JXMROGBWSA-N 1 3 379.548 3.706 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)CC1 ZINC000847366504 1065143455 /nfs/dbraw/zinc/14/34/55/1065143455.db2.gz DSCZDIBHHMJLPK-UHFFFAOYSA-N 1 3 392.547 3.883 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2cccs2)s1 ZINC001464697747 1065162171 /nfs/dbraw/zinc/16/21/71/1065162171.db2.gz UMUMQZCLGYCCAH-INIZCTEOSA-N 1 3 391.606 3.965 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnn3C3CCCCC3)CC2)CC1 ZINC000847429224 1065276063 /nfs/dbraw/zinc/27/60/63/1065276063.db2.gz HVYRSCLEURKDBI-UHFFFAOYSA-N 1 3 387.572 3.523 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001357338101 1067051557 /nfs/dbraw/zinc/05/15/57/1067051557.db2.gz NZQOGRZHQANGIG-MSOLQXFVSA-N 1 3 375.582 3.561 20 0 GHADHO CC(C)[NH+](CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(C)C ZINC001467714814 1067434165 /nfs/dbraw/zinc/43/41/65/1067434165.db2.gz OAKTWBFFIIHMHE-IBGZPJMESA-N 1 3 394.629 3.939 20 0 GHADHO COc1ccc(OC)c(NC(=[NH2+])NC[C@]2(C)CCCN2Cc2ccccc2)c1 ZINC000849098273 1067726840 /nfs/dbraw/zinc/72/68/40/1067726840.db2.gz UNAOPZFOHQFFOD-QFIPXVFZSA-N 1 3 382.508 3.695 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)c2cccc(CN(C)C)c2)[NH+](C)C)cc1 ZINC001468702944 1067838234 /nfs/dbraw/zinc/83/82/34/1067838234.db2.gz ZUNFIVNBSYPPNC-HSZRJFAPSA-N 1 3 381.564 3.979 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001468872194 1067914634 /nfs/dbraw/zinc/91/46/34/1067914634.db2.gz GWFLPOLHVQUKJY-GMAHTHKFSA-N 1 3 398.595 3.920 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001468872194 1067914638 /nfs/dbraw/zinc/91/46/38/1067914638.db2.gz GWFLPOLHVQUKJY-GMAHTHKFSA-N 1 3 398.595 3.920 20 0 GHADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187808 1068845703 /nfs/dbraw/zinc/84/57/03/1068845703.db2.gz TVTPYHVTRPADCG-QRQLOZEOSA-N 1 3 381.358 3.679 20 0 GHADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187808 1068845714 /nfs/dbraw/zinc/84/57/14/1068845714.db2.gz TVTPYHVTRPADCG-QRQLOZEOSA-N 1 3 381.358 3.679 20 0 GHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187808 1068845730 /nfs/dbraw/zinc/84/57/30/1068845730.db2.gz TVTPYHVTRPADCG-QRQLOZEOSA-N 1 3 381.358 3.679 20 0 GHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187808 1068845747 /nfs/dbraw/zinc/84/57/47/1068845747.db2.gz TVTPYHVTRPADCG-QRQLOZEOSA-N 1 3 381.358 3.679 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001460550281 1068993250 /nfs/dbraw/zinc/99/32/50/1068993250.db2.gz CMUDXUBNFJFEGP-NFBKMPQASA-N 1 3 391.575 3.961 20 0 GHADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001470416912 1072540564 /nfs/dbraw/zinc/54/05/64/1072540564.db2.gz YJJZAUWSKHDOFM-FCHUYYIVSA-N 1 3 388.600 3.614 20 0 GHADHO CCCN(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618809 1078937373 /nfs/dbraw/zinc/93/73/73/1078937373.db2.gz UOFDVHFXZUFLJL-YLJYHZDGSA-N 1 3 394.991 3.754 20 0 GHADHO CCCN(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618809 1078937376 /nfs/dbraw/zinc/93/73/76/1078937376.db2.gz UOFDVHFXZUFLJL-YLJYHZDGSA-N 1 3 394.991 3.754 20 0 GHADHO CCN(Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001470773532 1072729612 /nfs/dbraw/zinc/72/96/12/1072729612.db2.gz QDXMIOHPEQSJPV-IBGZPJMESA-N 1 3 384.568 3.643 20 0 GHADHO CCN(Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001470773532 1072729617 /nfs/dbraw/zinc/72/96/17/1072729617.db2.gz QDXMIOHPEQSJPV-IBGZPJMESA-N 1 3 384.568 3.643 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC3CC3)c3ccc(C)cc3)CC2)CC1 ZINC001471881679 1073242561 /nfs/dbraw/zinc/24/25/61/1073242561.db2.gz BOOJQCONKCIOJA-UHFFFAOYSA-N 1 3 383.580 3.934 20 0 GHADHO COCC[C@H](c1ccccc1)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001473251826 1073890841 /nfs/dbraw/zinc/89/08/41/1073890841.db2.gz XOAIMSYGQVCQLF-JOCHJYFZSA-N 1 3 397.563 3.527 20 0 GHADHO COCc1cccc(C[NH2+]Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)c1 ZINC001473935315 1074210450 /nfs/dbraw/zinc/21/04/50/1074210450.db2.gz ZJEPWXRPNTZGTO-UHFFFAOYSA-N 1 3 378.419 3.506 20 0 GHADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001495776796 1079429518 /nfs/dbraw/zinc/42/95/18/1079429518.db2.gz DUNHVAKQDMLNOH-OALUTQOASA-N 1 3 390.620 3.587 20 0 GHADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@H+](C)[C@@H](C)CC ZINC001495776796 1079429523 /nfs/dbraw/zinc/42/95/23/1079429523.db2.gz DUNHVAKQDMLNOH-OALUTQOASA-N 1 3 390.620 3.587 20 0 GHADHO CC1CCN([C@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c2ccccc2)CC1 ZINC000655696999 837687949 /nfs/dbraw/zinc/68/79/49/837687949.db2.gz GXLKAECTRQYHOE-DNQXCXABSA-N 1 3 385.596 3.693 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177000331 837701275 /nfs/dbraw/zinc/70/12/75/837701275.db2.gz JKIIVIGPRSTNOU-XMSQKQJNSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177000331 837701282 /nfs/dbraw/zinc/70/12/82/837701282.db2.gz JKIIVIGPRSTNOU-XMSQKQJNSA-N 1 3 380.536 3.923 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)[C@H](C)C1 ZINC000655734765 837764206 /nfs/dbraw/zinc/76/42/06/837764206.db2.gz AVIMIFMJKRXJNF-XXBNENTESA-N 1 3 384.568 3.716 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cc(Cl)ccc3OCC3CC3)C2)C1 ZINC000650707984 834548025 /nfs/dbraw/zinc/54/80/25/834548025.db2.gz RCJXEHVJGDXJDZ-OZOXKJRCSA-N 1 3 378.944 3.847 20 0 GHADHO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772851 834727717 /nfs/dbraw/zinc/72/77/17/834727717.db2.gz XMSXSXJHPKSODG-JOCHJYFZSA-N 1 3 387.531 3.864 20 0 GHADHO C[C@@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000246486695 834904022 /nfs/dbraw/zinc/90/40/22/834904022.db2.gz OZKIIQQMYXOAOP-GBESFXJTSA-N 1 3 377.598 3.663 20 0 GHADHO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000657970503 835327333 /nfs/dbraw/zinc/32/73/33/835327333.db2.gz FAVSLVXQDVVIGY-NEWJYFPISA-N 1 3 386.580 3.708 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146465 835457374 /nfs/dbraw/zinc/45/73/74/835457374.db2.gz VGCIMUAFEAQPMZ-FOIQADDNSA-N 1 3 389.337 3.867 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146465 835457378 /nfs/dbraw/zinc/45/73/78/835457378.db2.gz VGCIMUAFEAQPMZ-FOIQADDNSA-N 1 3 389.337 3.867 20 0 GHADHO CC(C)[C@@H]1C[C@@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000278630736 835649692 /nfs/dbraw/zinc/64/96/92/835649692.db2.gz KRBVLXYQEHGQBL-CYFREDJKSA-N 1 3 397.607 3.978 20 0 GHADHO C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274862622 835705230 /nfs/dbraw/zinc/70/52/30/835705230.db2.gz DDEIUXTUWBMGLX-SIKLNZKXSA-N 1 3 395.547 3.640 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000584232200 835788810 /nfs/dbraw/zinc/78/88/10/835788810.db2.gz JLCXBFXDZOWNTI-RWMBFGLXSA-N 1 3 389.849 3.617 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cc2ccncc2s1 ZINC000657841179 835915808 /nfs/dbraw/zinc/91/58/08/835915808.db2.gz ACGXXSYMEGXNFF-KRWDZBQOSA-N 1 3 380.561 3.895 20 0 GHADHO C[C@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000584468045 836035668 /nfs/dbraw/zinc/03/56/68/836035668.db2.gz VQWRLPKQROEKJA-UGKGYDQZSA-N 1 3 379.548 3.836 20 0 GHADHO CC[NH+]1CCC(NC[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000581997881 844139442 /nfs/dbraw/zinc/13/94/42/844139442.db2.gz HIJDKZVZQSGHIA-DNQXCXABSA-N 1 3 382.548 3.536 20 0 GHADHO COC(=O)c1ccccc1OCCN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931820 836239600 /nfs/dbraw/zinc/23/96/00/836239600.db2.gz CRHBUMCEJUNDHV-QFIPXVFZSA-N 1 3 396.531 3.742 20 0 GHADHO COC(=O)c1ccccc1OCCN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931820 836239612 /nfs/dbraw/zinc/23/96/12/836239612.db2.gz CRHBUMCEJUNDHV-QFIPXVFZSA-N 1 3 396.531 3.742 20 0 GHADHO O[C@H](COc1c(Cl)cccc1Cl)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972487 844212354 /nfs/dbraw/zinc/21/23/54/844212354.db2.gz MUYKLSNTBAZRSV-INIZCTEOSA-N 1 3 387.351 3.541 20 0 GHADHO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCCN3CCCC3)cc1)[C@H](C)C2 ZINC000180905711 844227958 /nfs/dbraw/zinc/22/79/58/844227958.db2.gz KJHIYFKNZLLWAM-NTKDMRAZSA-N 1 3 391.559 3.844 20 0 GHADHO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548490941 844236885 /nfs/dbraw/zinc/23/68/85/844236885.db2.gz XIVZPDHZLYEVEJ-FTBPSBKWSA-N 1 3 393.575 3.560 20 0 GHADHO Cc1cc([C@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C)s1 ZINC000414330655 837166480 /nfs/dbraw/zinc/16/64/80/837166480.db2.gz RYDFHPOTEYUTID-INIZCTEOSA-N 1 3 385.577 3.913 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000121261443 837193036 /nfs/dbraw/zinc/19/30/36/837193036.db2.gz WQLQCSOXCMHGLE-JOCHJYFZSA-N 1 3 390.474 3.699 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000121261443 837193042 /nfs/dbraw/zinc/19/30/42/837193042.db2.gz WQLQCSOXCMHGLE-JOCHJYFZSA-N 1 3 390.474 3.699 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1)C(C)C ZINC000535638126 838116078 /nfs/dbraw/zinc/11/60/78/838116078.db2.gz MTNOKLVRBULMCG-UHFFFAOYSA-N 1 3 397.563 3.827 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1)C(C)C ZINC000535638126 838116085 /nfs/dbraw/zinc/11/60/85/838116085.db2.gz MTNOKLVRBULMCG-UHFFFAOYSA-N 1 3 397.563 3.827 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312589868 838273775 /nfs/dbraw/zinc/27/37/75/838273775.db2.gz DMDJEWPEIDHFSD-QUCCMNQESA-N 1 3 386.561 3.653 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380226 838344292 /nfs/dbraw/zinc/34/42/92/838344292.db2.gz BGDCJBCIFDXVIW-GMAHTHKFSA-N 1 3 389.543 3.640 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659380226 838344299 /nfs/dbraw/zinc/34/42/99/838344299.db2.gz BGDCJBCIFDXVIW-GMAHTHKFSA-N 1 3 389.543 3.640 20 0 GHADHO CCN(C(=O)Nc1ccc2c(c1)CNC2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000415997629 838386682 /nfs/dbraw/zinc/38/66/82/838386682.db2.gz QBSKTGKDTVOBEU-JTSKRJEESA-N 1 3 378.520 3.979 20 0 GHADHO CCN(C(=O)Nc1ccc2c(c1)CNC2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415997629 838386691 /nfs/dbraw/zinc/38/66/91/838386691.db2.gz QBSKTGKDTVOBEU-JTSKRJEESA-N 1 3 378.520 3.979 20 0 GHADHO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000471548196 839136724 /nfs/dbraw/zinc/13/67/24/839136724.db2.gz QIPZTBLJVFEGMH-WWPVKYPJSA-N 1 3 379.548 3.706 20 0 GHADHO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000471548196 839136731 /nfs/dbraw/zinc/13/67/31/839136731.db2.gz QIPZTBLJVFEGMH-WWPVKYPJSA-N 1 3 379.548 3.706 20 0 GHADHO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000471548194 839160079 /nfs/dbraw/zinc/16/00/79/839160079.db2.gz QIPZTBLJVFEGMH-PMOQBDJRSA-N 1 3 379.548 3.706 20 0 GHADHO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000471548194 839160087 /nfs/dbraw/zinc/16/00/87/839160087.db2.gz QIPZTBLJVFEGMH-PMOQBDJRSA-N 1 3 379.548 3.706 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OCC ZINC000415107704 839219675 /nfs/dbraw/zinc/21/96/75/839219675.db2.gz LJLGJKSXTTUMIG-NZQKXSOJSA-N 1 3 390.568 3.983 20 0 GHADHO CCCOc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(OCCC)c1 ZINC000415117978 839230090 /nfs/dbraw/zinc/23/00/90/839230090.db2.gz CSTLQKPJHSAJSX-RBBKRZOGSA-N 1 3 390.568 3.983 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127320 839236367 /nfs/dbraw/zinc/23/63/67/839236367.db2.gz QYJIWUNPTWJZNT-TZIWHRDSSA-N 1 3 376.541 3.592 20 0 GHADHO c1c(C[NH2+]CCCN2CCCCC2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000236652946 839301410 /nfs/dbraw/zinc/30/14/10/839301410.db2.gz FBZHSRWTEXCIHM-UHFFFAOYSA-N 1 3 389.547 3.959 20 0 GHADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000601270259 839340279 /nfs/dbraw/zinc/34/02/79/839340279.db2.gz OLVFOHGSQPMQNV-FGZHOGPDSA-N 1 3 386.584 3.632 20 0 GHADHO COc1ccc(C)cc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000513092464 844473794 /nfs/dbraw/zinc/47/37/94/844473794.db2.gz NFTIOIFTAUXGQS-UHFFFAOYSA-N 1 3 381.564 3.691 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000513120367 844516987 /nfs/dbraw/zinc/51/69/87/844516987.db2.gz MVSXWOKYXGJEFA-CQSZACIVSA-N 1 3 379.932 3.530 20 0 GHADHO CCCN(C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000417215713 840590567 /nfs/dbraw/zinc/59/05/67/840590567.db2.gz NUPKAQNFUCAFOB-JOCHJYFZSA-N 1 3 386.584 3.633 20 0 GHADHO Cc1cccc(C)c1[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660573908 840950212 /nfs/dbraw/zinc/95/02/12/840950212.db2.gz LIHRPEDPFQRKIP-JOCHJYFZSA-N 1 3 398.595 3.709 20 0 GHADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652975 841060701 /nfs/dbraw/zinc/06/07/01/841060701.db2.gz NQYSBWLBFYDFGJ-GBXCKJPGSA-N 1 3 396.531 3.636 20 0 GHADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652975 841060715 /nfs/dbraw/zinc/06/07/15/841060715.db2.gz NQYSBWLBFYDFGJ-GBXCKJPGSA-N 1 3 396.531 3.636 20 0 GHADHO CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000417784249 841195451 /nfs/dbraw/zinc/19/54/51/841195451.db2.gz BYGSURGKLORNRC-RUZDIDTESA-N 1 3 391.559 3.877 20 0 GHADHO CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000417784249 841195453 /nfs/dbraw/zinc/19/54/53/841195453.db2.gz BYGSURGKLORNRC-RUZDIDTESA-N 1 3 391.559 3.877 20 0 GHADHO Brc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1 ZINC000581430019 841385783 /nfs/dbraw/zinc/38/57/83/841385783.db2.gz ZDBUPXSQUIEITP-GASCZTMLSA-N 1 3 376.298 3.536 20 0 GHADHO COc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc(C(F)(F)F)c1 ZINC000623563950 861207502 /nfs/dbraw/zinc/20/75/02/861207502.db2.gz ODWFLJSZDJCHEC-LJQANCHMSA-N 1 3 394.437 3.570 20 0 GHADHO COc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc(C(F)(F)F)c1 ZINC000623563950 861207519 /nfs/dbraw/zinc/20/75/19/861207519.db2.gz ODWFLJSZDJCHEC-LJQANCHMSA-N 1 3 394.437 3.570 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(CO)CCc3ccccc32)CC1 ZINC000651883620 841789583 /nfs/dbraw/zinc/78/95/83/841789583.db2.gz LBOBBSRSBRAYES-CJFMBICVSA-N 1 3 378.560 3.548 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000473125454 841954742 /nfs/dbraw/zinc/95/47/42/841954742.db2.gz TTWUFDPMBJNXLC-VWLOTQADSA-N 1 3 391.559 3.850 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000473125454 841954756 /nfs/dbraw/zinc/95/47/56/841954756.db2.gz TTWUFDPMBJNXLC-VWLOTQADSA-N 1 3 391.559 3.850 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000473125453 841954987 /nfs/dbraw/zinc/95/49/87/841954987.db2.gz TTWUFDPMBJNXLC-RUZDIDTESA-N 1 3 391.559 3.850 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000473125453 841954991 /nfs/dbraw/zinc/95/49/91/841954991.db2.gz TTWUFDPMBJNXLC-RUZDIDTESA-N 1 3 391.559 3.850 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3[C@@H](c4ccccc4)C3(C)C)CC2)CC1 ZINC000581677193 841993085 /nfs/dbraw/zinc/99/30/85/841993085.db2.gz SYUOVPLVTRPOIO-DHIUTWEWSA-N 1 3 397.607 3.739 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000047883506 842055546 /nfs/dbraw/zinc/05/55/46/842055546.db2.gz FOYPIXJRRMTMBN-LJQANCHMSA-N 1 3 392.613 3.693 20 0 GHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000247202784 842657087 /nfs/dbraw/zinc/65/70/87/842657087.db2.gz VDQFYRKUYZTFNH-HLSYRSCKSA-N 1 3 390.881 3.651 20 0 GHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000247202784 842657092 /nfs/dbraw/zinc/65/70/92/842657092.db2.gz VDQFYRKUYZTFNH-HLSYRSCKSA-N 1 3 390.881 3.651 20 0 GHADHO C[C@H](NC[C@@H](O)COc1cccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248546371 842689189 /nfs/dbraw/zinc/68/91/89/842689189.db2.gz DVGNJSFGJHNDJV-RCZSKKKRSA-N 1 3 382.548 3.822 20 0 GHADHO C[C@H](NC[C@@H](O)COc1cccc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248546371 842689197 /nfs/dbraw/zinc/68/91/97/842689197.db2.gz DVGNJSFGJHNDJV-RCZSKKKRSA-N 1 3 382.548 3.822 20 0 GHADHO CC1CC[NH+](C2CCC(NC(=O)N(CCN(C)C)C3CCCC3)CC2)CC1 ZINC000152700742 842827215 /nfs/dbraw/zinc/82/72/15/842827215.db2.gz NRMSOMZIDWDYQE-UHFFFAOYSA-N 1 3 378.605 3.545 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3oc4ccccc4c3Br)C2)C1 ZINC000662286893 843075110 /nfs/dbraw/zinc/07/51/10/843075110.db2.gz SZFLIKRALKGZKO-CKEIUWERSA-N 1 3 393.325 3.914 20 0 GHADHO FC(F)Oc1ccccc1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327237 843142372 /nfs/dbraw/zinc/14/23/72/843142372.db2.gz GZEJUOVKIOXRAE-UHFFFAOYSA-N 1 3 390.478 3.858 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000662389646 843176264 /nfs/dbraw/zinc/17/62/64/843176264.db2.gz YTXLZZJHDLODSA-FDDCHVKYSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000662389646 843176267 /nfs/dbraw/zinc/17/62/67/843176267.db2.gz YTXLZZJHDLODSA-FDDCHVKYSA-N 1 3 377.532 3.769 20 0 GHADHO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663343656 843249471 /nfs/dbraw/zinc/24/94/71/843249471.db2.gz AMUXDJPVDZCORH-GOSISDBHSA-N 1 3 389.971 3.656 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662439915 843250424 /nfs/dbraw/zinc/25/04/24/843250424.db2.gz HSYBOGUVLNBMRT-HSZRJFAPSA-N 1 3 377.532 3.592 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662439915 843250439 /nfs/dbraw/zinc/25/04/39/843250439.db2.gz HSYBOGUVLNBMRT-HSZRJFAPSA-N 1 3 377.532 3.592 20 0 GHADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662501934 843354439 /nfs/dbraw/zinc/35/44/39/843354439.db2.gz HMZANAYPQDJVKY-HARLFGEKSA-N 1 3 377.532 3.905 20 0 GHADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662501934 843354445 /nfs/dbraw/zinc/35/44/45/843354445.db2.gz HMZANAYPQDJVKY-HARLFGEKSA-N 1 3 377.532 3.905 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418657140 843506112 /nfs/dbraw/zinc/50/61/12/843506112.db2.gz GSYUXEUKQOYUFT-HSZRJFAPSA-N 1 3 394.563 3.773 20 0 GHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000673705876 861430039 /nfs/dbraw/zinc/43/00/39/861430039.db2.gz CXBFILCWXHIUTD-GMAHTHKFSA-N 1 3 398.595 3.587 20 0 GHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000673705876 861430042 /nfs/dbraw/zinc/43/00/42/861430042.db2.gz CXBFILCWXHIUTD-GMAHTHKFSA-N 1 3 398.595 3.587 20 0 GHADHO CCOCCOc1ccc(Br)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000093089162 843663510 /nfs/dbraw/zinc/66/35/10/843663510.db2.gz LBASWMYGKBDILK-UHFFFAOYSA-N 1 3 399.373 3.638 20 0 GHADHO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H](c1ccccc1)N(C)C ZINC000500670363 843802272 /nfs/dbraw/zinc/80/22/72/843802272.db2.gz UNXPQNBBKOKPRR-DDBAPUKQSA-N 1 3 399.501 3.703 20 0 GHADHO C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H](c1ccccc1)N(C)C ZINC000500670363 843802277 /nfs/dbraw/zinc/80/22/77/843802277.db2.gz UNXPQNBBKOKPRR-DDBAPUKQSA-N 1 3 399.501 3.703 20 0 GHADHO COc1cc(CN(C)C[C@H]2CCCCO2)cc(C[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000432937426 844679256 /nfs/dbraw/zinc/67/92/56/844679256.db2.gz KMRLLWWZFQUCMZ-SZPZYZBQSA-N 1 3 390.568 3.697 20 0 GHADHO COc1cc(CN(C)C[C@H]2CCCCO2)cc(C[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000432937426 844679264 /nfs/dbraw/zinc/67/92/64/844679264.db2.gz KMRLLWWZFQUCMZ-SZPZYZBQSA-N 1 3 390.568 3.697 20 0 GHADHO COc1cc(CN(C)C[C@@H]2CCCCO2)cc(C[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000432937426 844679272 /nfs/dbraw/zinc/67/92/72/844679272.db2.gz KMRLLWWZFQUCMZ-SZPZYZBQSA-N 1 3 390.568 3.697 20 0 GHADHO COc1cc(CN(C)C[C@@H]2CCCCO2)cc(C[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000432937426 844679276 /nfs/dbraw/zinc/67/92/76/844679276.db2.gz KMRLLWWZFQUCMZ-SZPZYZBQSA-N 1 3 390.568 3.697 20 0 GHADHO CC1CCN([C@@H](CNC(=O)CCCC[NH+]2CCCC2)c2cccs2)CC1 ZINC000729302710 844836578 /nfs/dbraw/zinc/83/65/78/844836578.db2.gz RGDSNJGTWOGNKR-IBGZPJMESA-N 1 3 377.598 3.903 20 0 GHADHO Cc1ccccc1CN(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394173 861562844 /nfs/dbraw/zinc/56/28/44/861562844.db2.gz LGDIUSVTSAEAAQ-UHFFFAOYSA-N 1 3 394.563 3.587 20 0 GHADHO O=C1CCCCN1CC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411376834 845367153 /nfs/dbraw/zinc/36/71/53/845367153.db2.gz UVDKCKPBDFUNMT-UHFFFAOYSA-N 1 3 383.580 3.897 20 0 GHADHO CC(C)C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000509931409 845599269 /nfs/dbraw/zinc/59/92/69/845599269.db2.gz RPRBBINUNYVVOD-UYAOXDASSA-N 1 3 399.501 3.534 20 0 GHADHO Cc1cc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)ccc1F ZINC000105429773 845990488 /nfs/dbraw/zinc/99/04/88/845990488.db2.gz LESBLJMRGCOWEW-UHFFFAOYSA-N 1 3 386.511 3.914 20 0 GHADHO Cc1cc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)ccc1F ZINC000105429773 845990499 /nfs/dbraw/zinc/99/04/99/845990499.db2.gz LESBLJMRGCOWEW-UHFFFAOYSA-N 1 3 386.511 3.914 20 0 GHADHO CCN(CC)Cc1cccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c1F ZINC001167945567 846222460 /nfs/dbraw/zinc/22/24/60/846222460.db2.gz JQMJCFZOQGCDOD-SFHVURJKSA-N 1 3 381.536 3.919 20 0 GHADHO CNC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513678424 846225307 /nfs/dbraw/zinc/22/53/07/846225307.db2.gz MYSXPXBGJGRTKT-WXFUMESZSA-N 1 3 391.559 3.827 20 0 GHADHO CNC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513678424 846225311 /nfs/dbraw/zinc/22/53/11/846225311.db2.gz MYSXPXBGJGRTKT-WXFUMESZSA-N 1 3 391.559 3.827 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000502838336 846533351 /nfs/dbraw/zinc/53/33/51/846533351.db2.gz DAHBWOLNBJZVRP-RBUKOAKNSA-N 1 3 392.613 3.839 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000502838336 846533358 /nfs/dbraw/zinc/53/33/58/846533358.db2.gz DAHBWOLNBJZVRP-RBUKOAKNSA-N 1 3 392.613 3.839 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(C(=O)c3cc(C)c(C)cc3Cl)CC2)CC1 ZINC000422022584 846755400 /nfs/dbraw/zinc/75/54/00/846755400.db2.gz OVRFQUFVUVKJRU-UHFFFAOYSA-N 1 3 377.960 3.589 20 0 GHADHO CCN1CCC([N@H+]2CCCN(C(=O)c3cc(C)c(C)cc3Cl)CC2)CC1 ZINC000422022584 846755412 /nfs/dbraw/zinc/75/54/12/846755412.db2.gz OVRFQUFVUVKJRU-UHFFFAOYSA-N 1 3 377.960 3.589 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000501828456 847219440 /nfs/dbraw/zinc/21/94/40/847219440.db2.gz PJLFVQKFWBKIGF-UNMCSNQZSA-N 1 3 386.584 3.635 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000501828456 847219446 /nfs/dbraw/zinc/21/94/46/847219446.db2.gz PJLFVQKFWBKIGF-UNMCSNQZSA-N 1 3 386.584 3.635 20 0 GHADHO CCCN(C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675683 847323328 /nfs/dbraw/zinc/32/33/28/847323328.db2.gz CKAJTIXOYUVFDH-YLJYHZDGSA-N 1 3 394.991 3.752 20 0 GHADHO CCCN(C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675683 847323333 /nfs/dbraw/zinc/32/33/33/847323333.db2.gz CKAJTIXOYUVFDH-YLJYHZDGSA-N 1 3 394.991 3.752 20 0 GHADHO CCOc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1Cl ZINC000582496214 847410798 /nfs/dbraw/zinc/41/07/98/847410798.db2.gz ZXXDGDBWKQSCBL-UHFFFAOYSA-N 1 3 393.959 3.874 20 0 GHADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984917 847591713 /nfs/dbraw/zinc/59/17/13/847591713.db2.gz VIRWCBHBEYTZLM-IBGZPJMESA-N 1 3 382.552 3.895 20 0 GHADHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984917 847591719 /nfs/dbraw/zinc/59/17/19/847591719.db2.gz VIRWCBHBEYTZLM-IBGZPJMESA-N 1 3 382.552 3.895 20 0 GHADHO CCN1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000625393502 861810835 /nfs/dbraw/zinc/81/08/35/861810835.db2.gz JKXIIRSMKLVUDU-NHCUHLMSSA-N 1 3 397.588 3.518 20 0 GHADHO CCN1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000625393502 861810845 /nfs/dbraw/zinc/81/08/45/861810845.db2.gz JKXIIRSMKLVUDU-NHCUHLMSSA-N 1 3 397.588 3.518 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCCC34CCOCC4)CC2)cc1 ZINC000502259527 847667046 /nfs/dbraw/zinc/66/70/46/847667046.db2.gz WGPAGPDGYKGJDC-HSZRJFAPSA-N 1 3 385.596 3.523 20 0 GHADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000503495955 847749249 /nfs/dbraw/zinc/74/92/49/847749249.db2.gz IBNWBFDPKDMIMT-UNMCSNQZSA-N 1 3 386.584 3.587 20 0 GHADHO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)N1CCCCC1 ZINC000422712492 847780993 /nfs/dbraw/zinc/78/09/93/847780993.db2.gz OIHJDIVYLSBLEB-VGOFRKELSA-N 1 3 382.552 3.735 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422728205 847801081 /nfs/dbraw/zinc/80/10/81/847801081.db2.gz IVSJJAGMUCEEDY-HOCLYGCPSA-N 1 3 394.441 3.677 20 0 GHADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422902507 847878447 /nfs/dbraw/zinc/87/84/47/847878447.db2.gz DOCSAIHKVRZAHO-INDMIFKZSA-N 1 3 377.960 3.828 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422910116 847882371 /nfs/dbraw/zinc/88/23/71/847882371.db2.gz PUNVDCNGGPISRJ-BEFAXECRSA-N 1 3 390.934 3.956 20 0 GHADHO C[C@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CCCCN1 ZINC000422895069 847888878 /nfs/dbraw/zinc/88/88/78/847888878.db2.gz VETGBDXMJHSTSB-KXBFYZLASA-N 1 3 380.374 3.534 20 0 GHADHO C[C@H](NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422895069 847888888 /nfs/dbraw/zinc/88/88/88/847888888.db2.gz VETGBDXMJHSTSB-KXBFYZLASA-N 1 3 380.374 3.534 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2noc3ccccc32)CC1 ZINC000657532929 848096973 /nfs/dbraw/zinc/09/69/73/848096973.db2.gz BNRZSVXYXIIINW-UHFFFAOYSA-N 1 3 378.520 3.692 20 0 GHADHO Cc1nn2c(C[NH2+]CC3CCN(Cc4ccncc4)CC3)c(C(C)C)nc2s1 ZINC000657613229 848327189 /nfs/dbraw/zinc/32/71/89/848327189.db2.gz JIKYHZUJNWTLJU-UHFFFAOYSA-N 1 3 398.580 3.619 20 0 GHADHO CN1CCN(CC[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC1(C)C ZINC000685043726 848604614 /nfs/dbraw/zinc/60/46/14/848604614.db2.gz ZTOGNNHNFZWCQG-UHFFFAOYSA-N 1 3 385.527 3.520 20 0 GHADHO CN(CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)Cc1ccccc1 ZINC000604179817 861939282 /nfs/dbraw/zinc/93/92/82/861939282.db2.gz QIONWRLRFWFNEY-QHCPKHFHSA-N 1 3 394.563 3.645 20 0 GHADHO COCCC[NH+]1CCC(N[C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180083860 861943126 /nfs/dbraw/zinc/94/31/26/861943126.db2.gz SBVSHBQHMLUORV-LJQANCHMSA-N 1 3 381.358 3.991 20 0 GHADHO Brc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCC2)s1 ZINC000423100764 849743466 /nfs/dbraw/zinc/74/34/66/849743466.db2.gz HKBKANPDYFCJOQ-QLFBSQMISA-N 1 3 399.398 3.679 20 0 GHADHO Brc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCC2)s1 ZINC000423100766 849743979 /nfs/dbraw/zinc/74/39/79/849743979.db2.gz HKBKANPDYFCJOQ-RRFJBIMHSA-N 1 3 399.398 3.679 20 0 GHADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)COCc1ccc(Cl)cc1 ZINC000583376613 849752675 /nfs/dbraw/zinc/75/26/75/849752675.db2.gz WLBFRFYHYKCEHQ-QFIPXVFZSA-N 1 3 388.939 3.603 20 0 GHADHO CN(C)C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423104782 849755124 /nfs/dbraw/zinc/75/51/24/849755124.db2.gz MRCZMQMJRIRVNA-ONTIZHBOSA-N 1 3 385.939 3.788 20 0 GHADHO CC(C)[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000278253249 849882091 /nfs/dbraw/zinc/88/20/91/849882091.db2.gz PKVJJYGKNCFHDT-NRFANRHFSA-N 1 3 384.568 3.514 20 0 GHADHO NC1(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C2CC3CC(C2)CC1C3 ZINC000423529646 849957603 /nfs/dbraw/zinc/95/76/03/849957603.db2.gz QEQSLBMVKQNZOB-UHFFFAOYSA-N 1 3 375.507 3.677 20 0 GHADHO C[C@@H]1CC2(CN1CC(=O)N(Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424300583 850341750 /nfs/dbraw/zinc/34/17/50/850341750.db2.gz WUTLBUOJWLZISM-HXUWFJFHSA-N 1 3 377.532 3.684 20 0 GHADHO C[C@@H]1CC2(CN1Cc1nc(-c3ccc(Br)cc3)c[nH]1)CC[NH2+]CC2 ZINC000424379752 850418032 /nfs/dbraw/zinc/41/80/32/850418032.db2.gz OYEIUFMSNSXKJE-CQSZACIVSA-N 1 3 389.341 3.803 20 0 GHADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000487109794 850463345 /nfs/dbraw/zinc/46/33/45/850463345.db2.gz PFJCYKGGAAEVHS-HSZRJFAPSA-N 1 3 391.559 3.577 20 0 GHADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000487109794 850463350 /nfs/dbraw/zinc/46/33/50/850463350.db2.gz PFJCYKGGAAEVHS-HSZRJFAPSA-N 1 3 391.559 3.577 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C[C@H](C)O1 ZINC000435784676 850871431 /nfs/dbraw/zinc/87/14/31/850871431.db2.gz HDUVSXDFFIGTNN-PMACEKPBSA-N 1 3 382.552 3.829 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000513913052 851016088 /nfs/dbraw/zinc/01/60/88/851016088.db2.gz KZHWDACAOBWMQQ-QFIPXVFZSA-N 1 3 379.548 3.779 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000513913052 851016098 /nfs/dbraw/zinc/01/60/98/851016098.db2.gz KZHWDACAOBWMQQ-QFIPXVFZSA-N 1 3 379.548 3.779 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(F)cc2c1C ZINC000505753950 851190112 /nfs/dbraw/zinc/19/01/12/851190112.db2.gz ATQUZKILXLXEJU-KRWDZBQOSA-N 1 3 391.556 3.837 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000514104562 851241554 /nfs/dbraw/zinc/24/15/54/851241554.db2.gz KTMIQUAOLXFYIW-ZJZGAYNASA-N 1 3 386.580 3.853 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC000514126895 851266493 /nfs/dbraw/zinc/26/64/93/851266493.db2.gz NGZBYBSHKLOFEM-ONTIZHBOSA-N 1 3 388.600 3.655 20 0 GHADHO C[NH2+]CCC1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000515846074 851556504 /nfs/dbraw/zinc/55/65/04/851556504.db2.gz AVWIHGWFILXEQW-UHFFFAOYSA-N 1 3 389.341 3.728 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000488532027 851588259 /nfs/dbraw/zinc/58/82/59/851588259.db2.gz NCIOGQUPCWLJFZ-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000488532027 851588264 /nfs/dbraw/zinc/58/82/64/851588264.db2.gz NCIOGQUPCWLJFZ-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@H]1CCCCN(Cc3ccccc3)C1)OCCO2 ZINC000894554390 851700631 /nfs/dbraw/zinc/70/06/31/851700631.db2.gz AUUGXIADYLHRFH-NJDAHSKKSA-N 1 3 376.516 3.512 20 0 GHADHO COc1ccc(OC2CCN(Cc3cn(-c4cc[nH+]cc4)nc3C)CC2)cc1 ZINC000517431636 851954502 /nfs/dbraw/zinc/95/45/02/851954502.db2.gz FMKOJHFJNXOHTN-UHFFFAOYSA-N 1 3 378.476 3.628 20 0 GHADHO C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc2)C[C@H](C)O1 ZINC000570359753 852049208 /nfs/dbraw/zinc/04/92/08/852049208.db2.gz BEZMALVKVKTWJI-IYBDPMFKSA-N 1 3 389.459 3.661 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000516162603 852204744 /nfs/dbraw/zinc/20/47/44/852204744.db2.gz QDCYNBMBONADOA-STZQEDGTSA-N 1 3 386.584 3.632 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000517705590 852295494 /nfs/dbraw/zinc/29/54/94/852295494.db2.gz VFXZFITUNFTBKV-HXUWFJFHSA-N 1 3 396.579 3.800 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](CCCOCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000426810445 852421939 /nfs/dbraw/zinc/42/19/39/852421939.db2.gz ZORKBODBJFGZEZ-VXKWHMMOSA-N 1 3 388.596 3.847 20 0 GHADHO Fc1ccc(C(CCCN2CCN([C@@H]3CC[NH2+]C3)CC2)c2ccc(F)cc2)cc1 ZINC000489934954 852655376 /nfs/dbraw/zinc/65/53/76/852655376.db2.gz NGDVYPCOQZWXFN-HSZRJFAPSA-N 1 3 399.529 3.856 20 0 GHADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)([NH+](C)C)C1 ZINC000516560914 852724593 /nfs/dbraw/zinc/72/45/93/852724593.db2.gz LYDQQRKSTSKMDE-DBXWQHBBSA-N 1 3 392.613 3.695 20 0 GHADHO CCCN1CCN(c2ccccc2CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000506325505 852743710 /nfs/dbraw/zinc/74/37/10/852743710.db2.gz KPIDDXQIYPEZPI-UHFFFAOYSA-N 1 3 384.612 3.669 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000490168369 852801919 /nfs/dbraw/zinc/80/19/19/852801919.db2.gz UVEBVRFRBAFHAK-FDDCHVKYSA-N 1 3 385.527 3.539 20 0 GHADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000427269115 852918736 /nfs/dbraw/zinc/91/87/36/852918736.db2.gz GRVJXEPYOSRPHS-VQIMIIECSA-N 1 3 399.501 3.984 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969290 862412399 /nfs/dbraw/zinc/41/23/99/862412399.db2.gz LVWOBYZNAMTTLW-KXBFYZLASA-N 1 3 375.463 3.827 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969290 862412406 /nfs/dbraw/zinc/41/24/06/862412406.db2.gz LVWOBYZNAMTTLW-KXBFYZLASA-N 1 3 375.463 3.827 20 0 GHADHO CCN(Cc1ccc2c(c1)OCO2)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506054906 853178268 /nfs/dbraw/zinc/17/82/68/853178268.db2.gz FFPYVRQTMITSIT-UHFFFAOYSA-N 1 3 395.547 3.968 20 0 GHADHO CCCC[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000490892883 853336775 /nfs/dbraw/zinc/33/67/75/853336775.db2.gz ZJGNWUTVKRJVBP-GOSISDBHSA-N 1 3 380.602 3.552 20 0 GHADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000490892883 853336783 /nfs/dbraw/zinc/33/67/83/853336783.db2.gz ZJGNWUTVKRJVBP-GOSISDBHSA-N 1 3 380.602 3.552 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000491002037 853398224 /nfs/dbraw/zinc/39/82/24/853398224.db2.gz AHOMWJVVAREHCL-YADARESESA-N 1 3 399.554 3.787 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000520067727 853804519 /nfs/dbraw/zinc/80/45/19/853804519.db2.gz DMQDIDLLGLZFGR-JOCHJYFZSA-N 1 3 388.600 3.751 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000520067727 853804526 /nfs/dbraw/zinc/80/45/26/853804526.db2.gz DMQDIDLLGLZFGR-JOCHJYFZSA-N 1 3 388.600 3.751 20 0 GHADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc(F)c(Br)cc1F ZINC000623903846 862506250 /nfs/dbraw/zinc/50/62/50/862506250.db2.gz PXPHCPCGQFFNPM-RYUDHWBXSA-N 1 3 379.289 3.735 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000520165868 853918826 /nfs/dbraw/zinc/91/88/26/853918826.db2.gz UAROKSALCXFORE-NRFANRHFSA-N 1 3 389.559 3.618 20 0 GHADHO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995098 854430717 /nfs/dbraw/zinc/43/07/17/854430717.db2.gz VYKUKWQSSYGLPR-GURQWTFNSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995098 854430724 /nfs/dbraw/zinc/43/07/24/854430724.db2.gz VYKUKWQSSYGLPR-GURQWTFNSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)NCC[C@@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995098 854430729 /nfs/dbraw/zinc/43/07/29/854430729.db2.gz VYKUKWQSSYGLPR-GURQWTFNSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)NCC[C@@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995098 854430735 /nfs/dbraw/zinc/43/07/35/854430735.db2.gz VYKUKWQSSYGLPR-GURQWTFNSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167996000 854633549 /nfs/dbraw/zinc/63/35/49/854633549.db2.gz UZQFIQJDNWQAGJ-OLFSXFQMSA-N 1 3 389.584 3.912 20 0 GHADHO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167996000 854633557 /nfs/dbraw/zinc/63/35/57/854633557.db2.gz UZQFIQJDNWQAGJ-OLFSXFQMSA-N 1 3 389.584 3.912 20 0 GHADHO CC1(C)OCc2cc(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)ccc2O1 ZINC000186377074 854968545 /nfs/dbraw/zinc/96/85/45/854968545.db2.gz FBFAVZQQGYSUSS-NRFANRHFSA-N 1 3 380.532 3.986 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1(C)C ZINC000623643445 855031413 /nfs/dbraw/zinc/03/14/13/855031413.db2.gz YLVNITCHHQTWDF-SIKLNZKXSA-N 1 3 377.532 3.846 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]([C@H]4CCCC4(C)C)C3)CC2)CC1 ZINC000655160295 855140491 /nfs/dbraw/zinc/14/04/91/855140491.db2.gz OQKZLGLNTRJWGC-RBBKRZOGSA-N 1 3 389.628 3.858 20 0 GHADHO COc1ccc([C@@H]2C[C@H](N3CCC([NH3+])(c4ccc(OC)cc4)CC3)CCO2)cc1 ZINC001168621892 855150485 /nfs/dbraw/zinc/15/04/85/855150485.db2.gz AIRHHWHZSMHAHO-OFNKIYASSA-N 1 3 396.531 3.874 20 0 GHADHO CCCNC(=O)c1ccccc1OC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168394732 855162991 /nfs/dbraw/zinc/16/29/91/855162991.db2.gz FJJQRLBQWAOXQP-UHFFFAOYSA-N 1 3 399.579 3.544 20 0 GHADHO CNC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000482064673 862666759 /nfs/dbraw/zinc/66/67/59/862666759.db2.gz BSXMPRYHZLDWEY-BJESRGMDSA-N 1 3 377.532 3.649 20 0 GHADHO COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647986625 855418092 /nfs/dbraw/zinc/41/80/92/855418092.db2.gz URVFQBCYOGQLPK-MZKRTTBSSA-N 1 3 393.531 3.697 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000573001651 855684221 /nfs/dbraw/zinc/68/42/21/855684221.db2.gz UPFUHOPJVOQIMD-YZZKKUAISA-N 1 3 379.548 3.727 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)c1ccsc1 ZINC000520621595 855829945 /nfs/dbraw/zinc/82/99/45/855829945.db2.gz MMFILZYDYYHPCS-RTBURBONSA-N 1 3 380.602 3.551 20 0 GHADHO Cc1ccccc1-c1cnc(C[NH+]2CCC(CCCN3CCOCC3)CC2)o1 ZINC000542810433 855953956 /nfs/dbraw/zinc/95/39/56/855953956.db2.gz BRMDOHQKYHYPLC-UHFFFAOYSA-N 1 3 383.536 3.974 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567889789 862760242 /nfs/dbraw/zinc/76/02/42/862760242.db2.gz USMLNYHOGYTKKH-SESVDKBCSA-N 1 3 393.531 3.524 20 0 GHADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000729525007 856234244 /nfs/dbraw/zinc/23/42/44/856234244.db2.gz COMUKSZKYUVEDB-PMACEKPBSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000729525007 856234248 /nfs/dbraw/zinc/23/42/48/856234248.db2.gz COMUKSZKYUVEDB-PMACEKPBSA-N 1 3 387.568 3.544 20 0 GHADHO COc1ccc(CC[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1O ZINC000668511402 856734942 /nfs/dbraw/zinc/73/49/42/856734942.db2.gz FREXIKWQKZCCCI-GOSISDBHSA-N 1 3 383.536 3.619 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(C(=O)OC(C)(C)C)CCOCC3)CC2)C1 ZINC000592395737 856803689 /nfs/dbraw/zinc/80/36/89/856803689.db2.gz YUOOWXYDPXVDMZ-UYAOXDASSA-N 1 3 394.600 3.758 20 0 GHADHO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000674872018 856862553 /nfs/dbraw/zinc/86/25/53/856862553.db2.gz JYGXDHJNQNBDJL-QFIPXVFZSA-N 1 3 398.551 3.580 20 0 GHADHO COC(=O)c1cccc(-c2nc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592492219 856899149 /nfs/dbraw/zinc/89/91/49/856899149.db2.gz WWVLMBWTBVKBKA-MOPGFXCFSA-N 1 3 399.560 3.808 20 0 GHADHO CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cc(F)cc(Br)c1 ZINC000181500530 862902743 /nfs/dbraw/zinc/90/27/43/862902743.db2.gz XESGCUXLZKHAJG-KDOFPFPSSA-N 1 3 386.353 3.655 20 0 GHADHO C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N1CCC(Cc2ccccc2)CC1 ZINC000521106326 857605771 /nfs/dbraw/zinc/60/57/71/857605771.db2.gz KJDIFWHORXVYRI-HXUWFJFHSA-N 1 3 393.575 3.708 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3cc(Br)ccc32)C[C@H](C)O1 ZINC000675783386 857611483 /nfs/dbraw/zinc/61/14/83/857611483.db2.gz HEABVZZQZJJCMN-KHYOSLBOSA-N 1 3 381.358 3.915 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000594495444 858191169 /nfs/dbraw/zinc/19/11/69/858191169.db2.gz XYWVDNNQHRPXNR-JOCHJYFZSA-N 1 3 382.504 3.581 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000594507608 858197158 /nfs/dbraw/zinc/19/71/58/858197158.db2.gz OCQBVEIFLDLBML-PUHATCMVSA-N 1 3 378.516 3.786 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000594507608 858197162 /nfs/dbraw/zinc/19/71/62/858197162.db2.gz OCQBVEIFLDLBML-PUHATCMVSA-N 1 3 378.516 3.786 20 0 GHADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Nc2ccncc2)cc1 ZINC000605398783 863032469 /nfs/dbraw/zinc/03/24/69/863032469.db2.gz DNBXIYWJMHCGRP-HSZRJFAPSA-N 1 3 386.499 3.814 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000157651651 858691968 /nfs/dbraw/zinc/69/19/68/858691968.db2.gz KYRUKRYULUAZNT-MOPGFXCFSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000157651651 858691974 /nfs/dbraw/zinc/69/19/74/858691974.db2.gz KYRUKRYULUAZNT-MOPGFXCFSA-N 1 3 390.535 3.888 20 0 GHADHO CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900572 858712159 /nfs/dbraw/zinc/71/21/59/858712159.db2.gz HCPCDWLNWNJCQY-IBGZPJMESA-N 1 3 397.519 3.730 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000474060918 858740251 /nfs/dbraw/zinc/74/02/51/858740251.db2.gz SHFJCLFYKRIGSU-KMDXXIMOSA-N 1 3 385.596 3.509 20 0 GHADHO COc1cc2c(cc1OC)[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC000479063217 858826139 /nfs/dbraw/zinc/82/61/39/858826139.db2.gz PZLYKWSOSBHILJ-NRFANRHFSA-N 1 3 384.520 3.811 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466292455 859009028 /nfs/dbraw/zinc/00/90/28/859009028.db2.gz ANXQKTVIPPYQIO-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466292455 859009042 /nfs/dbraw/zinc/00/90/42/859009042.db2.gz ANXQKTVIPPYQIO-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1 ZINC000543246619 859022415 /nfs/dbraw/zinc/02/24/15/859022415.db2.gz WTYZOHZVGBXVJL-IBGZPJMESA-N 1 3 383.536 3.603 20 0 GHADHO O=C(CN1CCCC[C@@H]1CCCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000443639290 859119318 /nfs/dbraw/zinc/11/93/18/859119318.db2.gz KKPXWKWUTNWVMZ-JOCHJYFZSA-N 1 3 383.580 3.607 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000509364291 859182192 /nfs/dbraw/zinc/18/21/92/859182192.db2.gz FIVRFSJDDAFWDT-LJQANCHMSA-N 1 3 392.613 3.504 20 0 GHADHO C[C@@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[N@H+](C)Cc1ccccc1 ZINC000114274541 859521495 /nfs/dbraw/zinc/52/14/95/859521495.db2.gz PQXCRMCOWBKPKV-KRWDZBQOSA-N 1 3 379.504 3.745 20 0 GHADHO C[C@@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000114274541 859521505 /nfs/dbraw/zinc/52/15/05/859521505.db2.gz PQXCRMCOWBKPKV-KRWDZBQOSA-N 1 3 379.504 3.745 20 0 GHADHO C[C@H](CC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)N(C)Cc1ccccc1 ZINC000483687506 859542238 /nfs/dbraw/zinc/54/22/38/859542238.db2.gz WCUUAQMRELCTDO-QZTJIDSGSA-N 1 3 389.565 3.619 20 0 GHADHO C[C@H](CCN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000543418459 859659137 /nfs/dbraw/zinc/65/91/37/859659137.db2.gz VIKTYSNPRDCOJQ-ZWKOTPCHSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)N1CCCCC1 ZINC000543418459 859659140 /nfs/dbraw/zinc/65/91/40/859659140.db2.gz VIKTYSNPRDCOJQ-ZWKOTPCHSA-N 1 3 379.976 3.931 20 0 GHADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000611254635 859667671 /nfs/dbraw/zinc/66/76/71/859667671.db2.gz ZYEOBIHTAOUMTK-IBGZPJMESA-N 1 3 388.552 3.715 20 0 GHADHO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000483955921 859711534 /nfs/dbraw/zinc/71/15/34/859711534.db2.gz FIIHTDLQISZSTN-NHCUHLMSSA-N 1 3 396.579 3.892 20 0 GHADHO Cn1c2ccc(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)cc2sc1=O ZINC000474273743 859745045 /nfs/dbraw/zinc/74/50/45/859745045.db2.gz VZKSYLYHGHQCMV-UHFFFAOYSA-N 1 3 395.572 3.944 20 0 GHADHO Cn1c2ccc(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc2sc1=O ZINC000474273743 859745055 /nfs/dbraw/zinc/74/50/55/859745055.db2.gz VZKSYLYHGHQCMV-UHFFFAOYSA-N 1 3 395.572 3.944 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000466501842 859759159 /nfs/dbraw/zinc/75/91/59/859759159.db2.gz GIAWLRSNKRONHR-RBBKRZOGSA-N 1 3 386.584 3.605 20 0 GHADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607790 859858416 /nfs/dbraw/zinc/85/84/16/859858416.db2.gz YIIJEVAQOMHYNC-WBVHZDCISA-N 1 3 395.473 3.802 20 0 GHADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607790 859858424 /nfs/dbraw/zinc/85/84/24/859858424.db2.gz YIIJEVAQOMHYNC-WBVHZDCISA-N 1 3 395.473 3.802 20 0 GHADHO C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000765372641 859938047 /nfs/dbraw/zinc/93/80/47/859938047.db2.gz SFVIWGIPGOTQGW-IBGZPJMESA-N 1 3 395.547 3.714 20 0 GHADHO C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)c1cccc(-n2cnnn2)c1 ZINC000164175554 859955826 /nfs/dbraw/zinc/95/58/26/859955826.db2.gz ZJECBCWYDSCUMA-LJQANCHMSA-N 1 3 390.535 3.889 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168033712 859982684 /nfs/dbraw/zinc/98/26/84/859982684.db2.gz NIFHXASIJGTCTL-JRLNSDPLSA-N 1 3 385.596 3.661 20 0 GHADHO C[C@H]1CC(N[C@@H]2CCN(C(=O)c3ccccc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034094 859995508 /nfs/dbraw/zinc/99/55/08/859995508.db2.gz OOUWWKMMNIFKLK-SXWKCWPCSA-N 1 3 391.559 3.932 20 0 GHADHO Cc1nn(C)c2nc(Cl)c(CNC3CCC(C)([NH+]4CCCC4)CC3)cc12 ZINC000922509028 860110575 /nfs/dbraw/zinc/11/05/75/860110575.db2.gz HHOVJUFZEBKFKL-UHFFFAOYSA-N 1 3 375.948 3.817 20 0 GHADHO C[C@H]1CC(N[C@@H]2CCN(C(=O)C3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168037287 860409619 /nfs/dbraw/zinc/40/96/19/860409619.db2.gz XKDYWYXBXDTDFS-CNNODRBYSA-N 1 3 383.580 3.809 20 0 GHADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000054510299 860606740 /nfs/dbraw/zinc/60/67/40/860606740.db2.gz VVIKVGCDGGXQDB-OALUTQOASA-N 1 3 392.613 3.552 20 0 GHADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000054510299 860606746 /nfs/dbraw/zinc/60/67/46/860606746.db2.gz VVIKVGCDGGXQDB-OALUTQOASA-N 1 3 392.613 3.552 20 0 GHADHO CC(=O)Oc1ccc(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1 ZINC000856603176 881575862 /nfs/dbraw/zinc/57/58/62/881575862.db2.gz CNUHUOYSGCXNSW-HSZRJFAPSA-N 1 3 397.519 3.500 20 0 GHADHO CC(=O)Oc1ccc(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856603176 881575878 /nfs/dbraw/zinc/57/58/78/881575878.db2.gz CNUHUOYSGCXNSW-HSZRJFAPSA-N 1 3 397.519 3.500 20 0 GHADHO CO[C@@H](C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCC1 ZINC000856607166 881585444 /nfs/dbraw/zinc/58/54/44/881585444.db2.gz XGEOEJHPHOQRMP-YADHBBJMSA-N 1 3 375.557 3.580 20 0 GHADHO CO[C@@H](C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCC1 ZINC000856607166 881585452 /nfs/dbraw/zinc/58/54/52/881585452.db2.gz XGEOEJHPHOQRMP-YADHBBJMSA-N 1 3 375.557 3.580 20 0 GHADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446048 861076189 /nfs/dbraw/zinc/07/61/89/861076189.db2.gz OIXLOVBQEXJQMJ-ZIAGYGMSSA-N 1 3 390.881 3.795 20 0 GHADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446048 861076198 /nfs/dbraw/zinc/07/61/98/861076198.db2.gz OIXLOVBQEXJQMJ-ZIAGYGMSSA-N 1 3 390.881 3.795 20 0 GHADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1c(Cl)cccc1Cl ZINC000625209000 861167501 /nfs/dbraw/zinc/16/75/01/861167501.db2.gz HDLLPUXWDWDMJJ-AWEZNQCLSA-N 1 3 398.378 3.772 20 0 GHADHO COCCCn1nccc1CNCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000282624104 863262967 /nfs/dbraw/zinc/26/29/67/863262967.db2.gz JRMYGSBYCXOYJI-UHFFFAOYSA-N 1 3 392.547 3.938 20 0 GHADHO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000606409482 863603202 /nfs/dbraw/zinc/60/32/02/863603202.db2.gz ZFVQKISCBKBCMJ-URXFXBBRSA-N 1 3 397.607 3.807 20 0 GHADHO C[C@@H]1CN(c2ccccc2CNCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000557059138 881677820 /nfs/dbraw/zinc/67/78/20/881677820.db2.gz BHDLZNUQHNJJEH-HXUWFJFHSA-N 1 3 379.548 3.797 20 0 GHADHO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c2)C1 ZINC000856717992 881683735 /nfs/dbraw/zinc/68/37/35/881683735.db2.gz LYPGURPFCXMEHE-GOTSBHOMSA-N 1 3 377.532 3.500 20 0 GHADHO C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c2)C1 ZINC000856717992 881683743 /nfs/dbraw/zinc/68/37/43/881683743.db2.gz LYPGURPFCXMEHE-GOTSBHOMSA-N 1 3 377.532 3.500 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@]3(c4ccccc4)CC3(C)C)CC2)CC1 ZINC000621219607 863885248 /nfs/dbraw/zinc/88/52/48/863885248.db2.gz HGLXZWKKARLPSV-RUZDIDTESA-N 1 3 397.607 3.667 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000607171638 864134198 /nfs/dbraw/zinc/13/41/98/864134198.db2.gz RLIQEHAZGMWMHN-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000554381605 864245470 /nfs/dbraw/zinc/24/54/70/864245470.db2.gz PORIXOSAPDHOKA-JOCHJYFZSA-N 1 3 398.551 3.960 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](CC)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000480255999 864339862 /nfs/dbraw/zinc/33/98/62/864339862.db2.gz YBYREXUZRYLJFF-HUVFLSCGSA-N 1 3 387.612 3.550 20 0 GHADHO C[C@@H]1CC(N2CCC(NC(=O)N3CCCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056959 864363117 /nfs/dbraw/zinc/36/31/17/864363117.db2.gz KPPYNPDWFGPLTA-WOJBJXKFSA-N 1 3 398.595 3.698 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)N(C)C)cc1 ZINC000182563739 864612896 /nfs/dbraw/zinc/61/28/96/864612896.db2.gz HXOHZMLZGBWYFS-UZKOGDIHSA-N 1 3 386.584 3.550 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)N(C)C)cc1 ZINC000182563739 864612901 /nfs/dbraw/zinc/61/29/01/864612901.db2.gz HXOHZMLZGBWYFS-UZKOGDIHSA-N 1 3 386.584 3.550 20 0 GHADHO COc1cc([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc(OC)c1OC ZINC000165305712 864662334 /nfs/dbraw/zinc/66/23/34/864662334.db2.gz CCEDLMBVIZCGOB-ICSRJNTNSA-N 1 3 398.547 3.928 20 0 GHADHO CCN1CC[C@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@H](C)C1 ZINC000165418463 864670192 /nfs/dbraw/zinc/67/01/92/864670192.db2.gz XAAMBGIXXZIAAE-AEFFLSMTSA-N 1 3 385.508 3.711 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC(N3CCCCC3=O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064192 864975527 /nfs/dbraw/zinc/97/55/27/864975527.db2.gz OWJHWZWGXCMKRM-JHDGKUDLSA-N 1 3 383.580 3.905 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC(N3CCCCC3=O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064192 864975537 /nfs/dbraw/zinc/97/55/37/864975537.db2.gz OWJHWZWGXCMKRM-JHDGKUDLSA-N 1 3 383.580 3.905 20 0 GHADHO CO[C@@H](C)[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480748186 865192950 /nfs/dbraw/zinc/19/29/50/865192950.db2.gz WEIIRJJCVBIZIP-SJORKVTESA-N 1 3 387.490 3.621 20 0 GHADHO O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000555380593 866035366 /nfs/dbraw/zinc/03/53/66/866035366.db2.gz YMQJFKIZYLIGBW-QPTUXGOLSA-N 1 3 382.523 3.716 20 0 GHADHO O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000555380593 866035378 /nfs/dbraw/zinc/03/53/78/866035378.db2.gz YMQJFKIZYLIGBW-QPTUXGOLSA-N 1 3 382.523 3.716 20 0 GHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000475502506 866091539 /nfs/dbraw/zinc/09/15/39/866091539.db2.gz NVXWWLSZMKRYHS-AIRYKSJBSA-N 1 3 389.543 3.703 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000667850028 866096917 /nfs/dbraw/zinc/09/69/17/866096917.db2.gz YGBZUQVKTQGYBN-AJSBUHFISA-N 1 3 390.531 3.712 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000667850028 866096932 /nfs/dbraw/zinc/09/69/32/866096932.db2.gz YGBZUQVKTQGYBN-AJSBUHFISA-N 1 3 390.531 3.712 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)cc1CN1CCCCC1 ZINC000183096388 866224935 /nfs/dbraw/zinc/22/49/35/866224935.db2.gz VTGRCCFFIOYYNO-LQWHRVPQSA-N 1 3 376.541 3.526 20 0 GHADHO COc1ccccc1[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC000153290115 866326970 /nfs/dbraw/zinc/32/69/70/866326970.db2.gz WGKQYBJUCFJHFG-QHCPKHFHSA-N 1 3 381.564 3.595 20 0 GHADHO COc1ccccc1[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)N(C)C ZINC000153290115 866326990 /nfs/dbraw/zinc/32/69/90/866326990.db2.gz WGKQYBJUCFJHFG-QHCPKHFHSA-N 1 3 381.564 3.595 20 0 GHADHO CCN1CCN(c2ccc(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)cc2)CC1 ZINC000456272760 866341314 /nfs/dbraw/zinc/34/13/14/866341314.db2.gz LKNARUYDNPUJMH-HSZRJFAPSA-N 1 3 392.547 3.630 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000552916508 866489021 /nfs/dbraw/zinc/48/90/21/866489021.db2.gz SUHYQPUUQPZFIN-UHFFFAOYSA-N 1 3 394.357 3.584 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000152479590 866567692 /nfs/dbraw/zinc/56/76/92/866567692.db2.gz LGHHRPVAQKBCJY-IAGOWNOFSA-N 1 3 376.566 3.538 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccc4ccccc4c3)CC2)CC1 ZINC000552973085 866573298 /nfs/dbraw/zinc/57/32/98/866573298.db2.gz HEFRYERRYJHDQY-UHFFFAOYSA-N 1 3 393.575 3.695 20 0 GHADHO CC[C@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)N(CC)CC ZINC000456782106 867134409 /nfs/dbraw/zinc/13/44/09/867134409.db2.gz AGYYSKPCKKWQAT-GOSISDBHSA-N 1 3 381.948 3.872 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314468 867153168 /nfs/dbraw/zinc/15/31/68/867153168.db2.gz MHSUJSQPJNONTC-FPOVZHCZSA-N 1 3 385.577 3.769 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314468 867153170 /nfs/dbraw/zinc/15/31/70/867153170.db2.gz MHSUJSQPJNONTC-FPOVZHCZSA-N 1 3 385.577 3.769 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H](C)O1 ZINC000620756894 867275861 /nfs/dbraw/zinc/27/58/61/867275861.db2.gz FVAVBGCBEVXAPS-QZTJIDSGSA-N 1 3 390.959 3.564 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2OCc2ccccc2)CC1 ZINC000155606997 867978315 /nfs/dbraw/zinc/97/83/15/867978315.db2.gz DMZBTRGOFNBELX-LEWJYISDSA-N 1 3 381.564 3.942 20 0 GHADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000523941699 868309843 /nfs/dbraw/zinc/30/98/43/868309843.db2.gz WTQIEMMYFOOFSK-QFIPXVFZSA-N 1 3 386.584 3.553 20 0 GHADHO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000535385839 868671591 /nfs/dbraw/zinc/67/15/91/868671591.db2.gz SSQHZJOMNPLWMQ-GJZGRUSLSA-N 1 3 376.570 3.561 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]C[C@H]3CCCOC3)CC2)c1 ZINC000539448938 869156582 /nfs/dbraw/zinc/15/65/82/869156582.db2.gz RTEHJLHZVJIQHO-GOSISDBHSA-N 1 3 399.501 3.624 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000524515255 869192487 /nfs/dbraw/zinc/19/24/87/869192487.db2.gz MOIRDWSAYZROBH-NRFANRHFSA-N 1 3 388.600 3.723 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000524515255 869192494 /nfs/dbraw/zinc/19/24/94/869192494.db2.gz MOIRDWSAYZROBH-NRFANRHFSA-N 1 3 388.600 3.723 20 0 GHADHO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c2ccccc21 ZINC000462450651 869458778 /nfs/dbraw/zinc/45/87/78/869458778.db2.gz DNKJJOLVCVUPOA-HNNXBMFYSA-N 1 3 385.939 3.887 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446258119 869618777 /nfs/dbraw/zinc/61/87/77/869618777.db2.gz DJCRHGDLEJMXBH-KNLNXMFASA-N 1 3 385.552 3.532 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446258119 869618779 /nfs/dbraw/zinc/61/87/79/869618779.db2.gz DJCRHGDLEJMXBH-KNLNXMFASA-N 1 3 385.552 3.532 20 0 GHADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000446265455 869649126 /nfs/dbraw/zinc/64/91/26/869649126.db2.gz FFCYOAQSDUJSSZ-MZKRTTBSSA-N 1 3 385.552 3.534 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446573303 870025214 /nfs/dbraw/zinc/02/52/14/870025214.db2.gz VYSTXARERKEUHQ-WIYYLYMNSA-N 1 3 380.536 3.748 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2ccc(C(=O)OC)c(F)c2)CC1)CC1CC1 ZINC000540049265 870262926 /nfs/dbraw/zinc/26/29/26/870262926.db2.gz IVQDQGDLLYJWRH-UHFFFAOYSA-N 1 3 376.516 3.946 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2ccc(C(=O)OC)c(F)c2)CC1)CC1CC1 ZINC000540049265 870262940 /nfs/dbraw/zinc/26/29/40/870262940.db2.gz IVQDQGDLLYJWRH-UHFFFAOYSA-N 1 3 376.516 3.946 20 0 GHADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC[C@@H]21 ZINC000248050839 870272992 /nfs/dbraw/zinc/27/29/92/870272992.db2.gz WGASOYYJFVLNPH-KNKQGSTJSA-N 1 3 377.532 3.572 20 0 GHADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC[C@@H]21 ZINC000248050839 870273005 /nfs/dbraw/zinc/27/30/05/870273005.db2.gz WGASOYYJFVLNPH-KNKQGSTJSA-N 1 3 377.532 3.572 20 0 GHADHO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)o1 ZINC000538724233 870430811 /nfs/dbraw/zinc/43/08/11/870430811.db2.gz YVOHIBASCORRPD-HTAPYJJXSA-N 1 3 385.527 3.852 20 0 GHADHO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)o1 ZINC000538724233 870430816 /nfs/dbraw/zinc/43/08/16/870430816.db2.gz YVOHIBASCORRPD-HTAPYJJXSA-N 1 3 385.527 3.852 20 0 GHADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000540148709 870604418 /nfs/dbraw/zinc/60/44/18/870604418.db2.gz AWONYPQHWDEZHW-GOTSBHOMSA-N 1 3 381.568 3.951 20 0 GHADHO Cn1c2ccc(CNC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000248830421 870655968 /nfs/dbraw/zinc/65/59/68/870655968.db2.gz FAYRPRPXFZFBLL-DNVCBOLYSA-N 1 3 387.574 3.834 20 0 GHADHO Cn1c2ccc(CNC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000248830421 870655972 /nfs/dbraw/zinc/65/59/72/870655972.db2.gz FAYRPRPXFZFBLL-DNVCBOLYSA-N 1 3 387.574 3.834 20 0 GHADHO OC[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000446976692 870797355 /nfs/dbraw/zinc/79/73/55/870797355.db2.gz IUUMVXAEVLOFBT-MRXNPFEDSA-N 1 3 384.486 3.642 20 0 GHADHO FC(F)C(F)(F)COCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000446973731 870833388 /nfs/dbraw/zinc/83/33/88/870833388.db2.gz FGVSPUBTAJPEOC-KZNAEPCWSA-N 1 3 388.449 3.794 20 0 GHADHO Cc1cccc(CN2CC[C@@H](NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)c1 ZINC001169150465 871262684 /nfs/dbraw/zinc/26/26/84/871262684.db2.gz SMLHRWZUOKFRMS-XMMPIXPASA-N 1 3 391.559 3.985 20 0 GHADHO CN(C[C@@H]1CN(Cc2ccccc2)CCCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC001169507840 871571649 /nfs/dbraw/zinc/57/16/49/871571649.db2.gz SPXCLABZQLDDIF-HSZRJFAPSA-N 1 3 387.612 3.864 20 0 GHADHO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001169539930 871617543 /nfs/dbraw/zinc/61/75/43/871617543.db2.gz KZNYRFQTRNWBFD-PGRDOPGGSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001169539930 871617549 /nfs/dbraw/zinc/61/75/49/871617549.db2.gz KZNYRFQTRNWBFD-PGRDOPGGSA-N 1 3 390.531 3.931 20 0 GHADHO CN(C)Cc1cccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092693452 871824619 /nfs/dbraw/zinc/82/46/19/871824619.db2.gz BKWKJKYKFGVLGC-UHFFFAOYSA-N 1 3 380.536 3.522 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001169757696 871843988 /nfs/dbraw/zinc/84/39/88/871843988.db2.gz ROYLXNNBEWXODR-OFNKIYASSA-N 1 3 381.564 3.702 20 0 GHADHO C[C@@H](NC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC001169781730 871873868 /nfs/dbraw/zinc/87/38/68/871873868.db2.gz URYSQHOCKVOYIU-WOJBJXKFSA-N 1 3 397.607 3.939 20 0 GHADHO C[N@@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000552243543 872298732 /nfs/dbraw/zinc/29/87/32/872298732.db2.gz BGBBQEGMFCSPKM-VHDGCEQUSA-N 1 3 376.854 3.628 20 0 GHADHO C[N@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000552243543 872298742 /nfs/dbraw/zinc/29/87/42/872298742.db2.gz BGBBQEGMFCSPKM-VHDGCEQUSA-N 1 3 376.854 3.628 20 0 GHADHO CN(C)CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(C)(C)C ZINC000463900143 872819919 /nfs/dbraw/zinc/81/99/19/872819919.db2.gz ZWZMEWKUGIKOCN-QZTJIDSGSA-N 1 3 397.510 3.739 20 0 GHADHO CC[NH+](CC)CC1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000768301792 873220262 /nfs/dbraw/zinc/22/02/62/873220262.db2.gz BDEURZGBAGPNMX-UHFFFAOYSA-N 1 3 396.579 3.625 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000183099899 873230148 /nfs/dbraw/zinc/23/01/48/873230148.db2.gz IWOQUABQHVTPOL-FHWLQOOXSA-N 1 3 379.589 3.876 20 0 GHADHO Clc1cnc(CNCC2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000527682664 873489051 /nfs/dbraw/zinc/48/90/51/873489051.db2.gz HDIDXEHHXZPHLU-UHFFFAOYSA-N 1 3 395.732 3.899 20 0 GHADHO CC1(C)CC([NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)CC(C)(C)N1O ZINC001170001548 873896078 /nfs/dbraw/zinc/89/60/78/873896078.db2.gz JXJJUYDHLUJEFT-UHFFFAOYSA-N 1 3 386.584 3.780 20 0 GHADHO CCN1CCC(CC[NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000541732602 874168431 /nfs/dbraw/zinc/16/84/31/874168431.db2.gz DWYSSGXQDDDFLG-FCHUYYIVSA-N 1 3 392.609 3.792 20 0 GHADHO COc1ccc2ccccc2c1C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541760339 874224500 /nfs/dbraw/zinc/22/45/00/874224500.db2.gz HGTSONJUJREGIX-UHFFFAOYSA-N 1 3 381.564 3.698 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+]C3CCC(OC4CCCC4)CC3)cc2)CC1 ZINC000449084857 874437606 /nfs/dbraw/zinc/43/76/06/874437606.db2.gz ZHCLWQUBYCMYIP-UHFFFAOYSA-N 1 3 385.596 3.794 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cc4cccnc4o3)CC2)c1 ZINC000449072744 874452789 /nfs/dbraw/zinc/45/27/89/874452789.db2.gz LCXPVFKHMBZOHN-UHFFFAOYSA-N 1 3 378.520 3.828 20 0 GHADHO CCC(CC)[C@@H](CNC[C@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000449075397 874455886 /nfs/dbraw/zinc/45/58/86/874455886.db2.gz QULZNBNKUSWWSD-LAUBAEHRSA-N 1 3 380.598 3.684 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCN2CCc3sccc3C2)CC1 ZINC000449092081 874492570 /nfs/dbraw/zinc/49/25/70/874492570.db2.gz LFFZUSAWGGHGHQ-LJQANCHMSA-N 1 3 383.605 3.791 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000449966732 875716830 /nfs/dbraw/zinc/71/68/30/875716830.db2.gz RJBNODNKMUQNKM-VXKWHMMOSA-N 1 3 383.580 3.637 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C3CCC3)C3CCC3)CC2)CC1 ZINC000529614583 876396701 /nfs/dbraw/zinc/39/67/01/876396701.db2.gz STEFWZARPFMJHI-UHFFFAOYSA-N 1 3 375.601 3.515 20 0 GHADHO CC(C)(C)OC(=O)N1CC2CC1(CNC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000850405386 876885830 /nfs/dbraw/zinc/88/58/30/876885830.db2.gz ZBTHUERHMSBIOW-UHFFFAOYSA-N 1 3 377.573 3.773 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(N3CCCNC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850414486 876894681 /nfs/dbraw/zinc/89/46/81/876894681.db2.gz PCWDXUVASZSAPI-DENIHFKCSA-N 1 3 392.547 3.749 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(N3CCCNC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850414486 876894687 /nfs/dbraw/zinc/89/46/87/876894687.db2.gz PCWDXUVASZSAPI-DENIHFKCSA-N 1 3 392.547 3.749 20 0 GHADHO C[C@@H](C[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)CN1CCCCC1 ZINC000850425927 876908747 /nfs/dbraw/zinc/90/87/47/876908747.db2.gz QYOUWSXXTKVUSI-LPHOPBHVSA-N 1 3 397.485 3.734 20 0 GHADHO C[C@@H](C[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000850516398 876987559 /nfs/dbraw/zinc/98/75/59/876987559.db2.gz FIGKSSCQGVDOND-ROUUACIJSA-N 1 3 390.572 3.575 20 0 GHADHO Cc1ccc([C@H]2CCCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000174467757 877041308 /nfs/dbraw/zinc/04/13/08/877041308.db2.gz YECROOVOAFZZNE-HSZRJFAPSA-N 1 3 398.595 3.790 20 0 GHADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000174673165 877162612 /nfs/dbraw/zinc/16/26/12/877162612.db2.gz HJLCFUUIJDLDOT-UHFFFAOYSA-N 1 3 399.501 3.716 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995267 877423498 /nfs/dbraw/zinc/42/34/98/877423498.db2.gz IVFYWKLOFONDJH-ZFWWWQNUSA-N 1 3 385.430 3.567 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175538074 877757908 /nfs/dbraw/zinc/75/79/08/877757908.db2.gz VGHHQFZBGDZYER-LJQANCHMSA-N 1 3 390.597 3.591 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551796078 877846277 /nfs/dbraw/zinc/84/62/77/877846277.db2.gz LJXAERLXWPYAPK-VQTJNVASSA-N 1 3 383.502 3.959 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000788240276 877939396 /nfs/dbraw/zinc/93/93/96/877939396.db2.gz JHNHFLJSHSDFCR-IYWMVGAKSA-N 1 3 397.604 3.691 20 0 GHADHO CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176009714 878035218 /nfs/dbraw/zinc/03/52/18/878035218.db2.gz AIDOWAMHQIAURA-HSZRJFAPSA-N 1 3 398.595 3.699 20 0 GHADHO CCn1cccc(CN[C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)c1=O ZINC000788608847 878166295 /nfs/dbraw/zinc/16/62/95/878166295.db2.gz PUCPVHXYSBTFHC-SFHVURJKSA-N 1 3 383.536 3.714 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001183186982 912337963 /nfs/dbraw/zinc/33/79/63/912337963.db2.gz CRWOEVDSAXIAKX-ZVDOUQERSA-N 1 3 385.552 3.954 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001183186982 912337979 /nfs/dbraw/zinc/33/79/79/912337979.db2.gz CRWOEVDSAXIAKX-ZVDOUQERSA-N 1 3 385.552 3.954 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000177061736 878543152 /nfs/dbraw/zinc/54/31/52/878543152.db2.gz OXNRBAOTQFWGBM-KMRPREKFSA-N 1 3 396.575 3.876 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000177061736 878543168 /nfs/dbraw/zinc/54/31/68/878543168.db2.gz OXNRBAOTQFWGBM-KMRPREKFSA-N 1 3 396.575 3.876 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245779762 878588021 /nfs/dbraw/zinc/58/80/21/878588021.db2.gz YRASGOSXZZIXIR-YCAMKHIRSA-N 1 3 395.591 3.953 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245779762 878588036 /nfs/dbraw/zinc/58/80/36/878588036.db2.gz YRASGOSXZZIXIR-YCAMKHIRSA-N 1 3 395.591 3.953 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000537969831 878641215 /nfs/dbraw/zinc/64/12/15/878641215.db2.gz ULAUWHYGHRMUSA-RPWUZVMVSA-N 1 3 391.559 3.938 20 0 GHADHO Cc1ccc(-c2nc3c(s2)[C@H](NCCC[NH+]2CCC(O)CC2)CCC3)cc1 ZINC000178520824 879137496 /nfs/dbraw/zinc/13/74/96/879137496.db2.gz FIUMSYWULFNRHX-LJQANCHMSA-N 1 3 385.577 3.932 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NCCOc1ccc(F)c(F)c1)c1ccccc1O2 ZINC000538299364 879210927 /nfs/dbraw/zinc/21/09/27/879210927.db2.gz HTDNLEOWGSMOEV-FQEVSTJZSA-N 1 3 388.458 3.921 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1O2 ZINC000538299364 879210940 /nfs/dbraw/zinc/21/09/40/879210940.db2.gz HTDNLEOWGSMOEV-FQEVSTJZSA-N 1 3 388.458 3.921 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000667082611 879510664 /nfs/dbraw/zinc/51/06/64/879510664.db2.gz JLXYLTJUEPDPKH-LBPRGKRZSA-N 1 3 399.511 3.627 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000667082611 879510671 /nfs/dbraw/zinc/51/06/71/879510671.db2.gz JLXYLTJUEPDPKH-LBPRGKRZSA-N 1 3 399.511 3.627 20 0 GHADHO COCCC[NH+]1CCC(N[C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493824655 879657075 /nfs/dbraw/zinc/65/70/75/879657075.db2.gz TWWBMHRRQOGHGL-SFHVURJKSA-N 1 3 381.358 3.835 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C2SCCS2)c1 ZINC000854250631 879660648 /nfs/dbraw/zinc/66/06/48/879660648.db2.gz DVVOAWRRUBWVNT-HNNXBMFYSA-N 1 3 396.626 3.559 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C2SCCS2)c1 ZINC000854250631 879660656 /nfs/dbraw/zinc/66/06/56/879660656.db2.gz DVVOAWRRUBWVNT-HNNXBMFYSA-N 1 3 396.626 3.559 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H]1C ZINC000531378328 879690902 /nfs/dbraw/zinc/69/09/02/879690902.db2.gz BFCKNAXZCMUBCE-SLFFLAALSA-N 1 3 379.548 3.960 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H]1C ZINC000531378328 879690912 /nfs/dbraw/zinc/69/09/12/879690912.db2.gz BFCKNAXZCMUBCE-SLFFLAALSA-N 1 3 379.548 3.960 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000493966372 879783159 /nfs/dbraw/zinc/78/31/59/879783159.db2.gz AEMRLFKNLMQCMB-RDPSFJRHSA-N 1 3 381.564 3.690 20 0 GHADHO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000461425905 879785411 /nfs/dbraw/zinc/78/54/11/879785411.db2.gz NUEZVUWPRSLAAN-URXFXBBRSA-N 1 3 397.607 3.664 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C[C@H](C)O1 ZINC000790529576 879796767 /nfs/dbraw/zinc/79/67/67/879796767.db2.gz LVBDXFFSBOYYGU-HDICACEKSA-N 1 3 390.959 3.564 20 0 GHADHO COc1cc(OC)c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000246874584 879836776 /nfs/dbraw/zinc/83/67/76/879836776.db2.gz CUEKLKUCJYMSGH-OWCLPIDISA-N 1 3 384.948 3.897 20 0 GHADHO O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000247012995 879882190 /nfs/dbraw/zinc/88/21/90/879882190.db2.gz XNQAWFCFEKKWGG-NZQKXSOJSA-N 1 3 393.531 3.658 20 0 GHADHO O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000247012995 879882211 /nfs/dbraw/zinc/88/22/11/879882211.db2.gz XNQAWFCFEKKWGG-NZQKXSOJSA-N 1 3 393.531 3.658 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247086091 879912967 /nfs/dbraw/zinc/91/29/67/879912967.db2.gz RHELVEMVHYNTFU-QZTJIDSGSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247086091 879912978 /nfs/dbraw/zinc/91/29/78/879912978.db2.gz RHELVEMVHYNTFU-QZTJIDSGSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247086091 879912988 /nfs/dbraw/zinc/91/29/88/879912988.db2.gz RHELVEMVHYNTFU-QZTJIDSGSA-N 1 3 379.976 3.787 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)[C@@H](C)C1 ZINC000453131560 880523915 /nfs/dbraw/zinc/52/39/15/880523915.db2.gz VLJCJDPLLMLRAO-ZJOUEHCJSA-N 1 3 384.568 3.875 20 0 GHADHO C[C@H]1C[N@H+](CCOc2ccc(CCN[C@@H]3C[C@H](C)n4ccnc43)cc2)C[C@H]1C ZINC000453164390 880562922 /nfs/dbraw/zinc/56/29/22/880562922.db2.gz NVVCUMCKQLLVFY-LMVRJCEZSA-N 1 3 382.552 3.688 20 0 GHADHO C[C@H]1C[N@@H+](CCOc2ccc(CCN[C@@H]3C[C@H](C)n4ccnc43)cc2)C[C@H]1C ZINC000453164390 880562930 /nfs/dbraw/zinc/56/29/30/880562930.db2.gz NVVCUMCKQLLVFY-LMVRJCEZSA-N 1 3 382.552 3.688 20 0 GHADHO CC(C)Cc1cccc([C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000286130252 912582114 /nfs/dbraw/zinc/58/21/14/912582114.db2.gz WINIUXYIGQLPLR-LJQANCHMSA-N 1 3 385.596 3.663 20 0 GHADHO CCSc1cccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000185525915 880610064 /nfs/dbraw/zinc/61/00/64/880610064.db2.gz OWJKYYDTCLGFKP-NRFANRHFSA-N 1 3 397.588 3.786 20 0 GHADHO CCSc1cccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000185525915 880610073 /nfs/dbraw/zinc/61/00/73/880610073.db2.gz OWJKYYDTCLGFKP-NRFANRHFSA-N 1 3 397.588 3.786 20 0 GHADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3c(Cl)cccc3Cl)CC2)C1=O ZINC001275207252 912618988 /nfs/dbraw/zinc/61/89/88/912618988.db2.gz PSTPPIAKUBSHRK-HXUWFJFHSA-N 1 3 398.378 3.760 20 0 GHADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000776865036 880912018 /nfs/dbraw/zinc/91/20/18/880912018.db2.gz NIIXQECWPBXSDM-VNYTWHDVSA-N 1 3 379.589 3.876 20 0 GHADHO CC(C)Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000532041491 880970433 /nfs/dbraw/zinc/97/04/33/880970433.db2.gz QJDPARMOVZFYOR-XMMPIXPASA-N 1 3 393.575 3.872 20 0 GHADHO CC(C)Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000532041491 880970441 /nfs/dbraw/zinc/97/04/41/880970441.db2.gz QJDPARMOVZFYOR-XMMPIXPASA-N 1 3 393.575 3.872 20 0 GHADHO CC1(C)C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C(C)(C)O1 ZINC000551263754 883572063 /nfs/dbraw/zinc/57/20/63/883572063.db2.gz DNWWROCANQGSAR-SFTDATJTSA-N 1 3 386.580 3.851 20 0 GHADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000455888839 883588242 /nfs/dbraw/zinc/58/82/42/883588242.db2.gz XZFALAOHQCAWON-RBBKRZOGSA-N 1 3 378.520 3.632 20 0 GHADHO O=C(O[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805874478 884164972 /nfs/dbraw/zinc/16/49/72/884164972.db2.gz FNPNVTWSGZPUJY-HSZRJFAPSA-N 1 3 378.516 3.716 20 0 GHADHO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1Cl ZINC000130455368 884665736 /nfs/dbraw/zinc/66/57/36/884665736.db2.gz SOBAOARFAKUVCN-CQSZACIVSA-N 1 3 379.335 3.991 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccccc2CN(C)C)C1 ZINC000498566204 884856569 /nfs/dbraw/zinc/85/65/69/884856569.db2.gz BZGJRTZCUGBYMR-LJQANCHMSA-N 1 3 379.548 3.910 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2CN(C)C)C1 ZINC000498566204 884856576 /nfs/dbraw/zinc/85/65/76/884856576.db2.gz BZGJRTZCUGBYMR-LJQANCHMSA-N 1 3 379.548 3.910 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000460347415 884927274 /nfs/dbraw/zinc/92/72/74/884927274.db2.gz CAPWVXZNZCLEDK-WOJBJXKFSA-N 1 3 383.580 3.739 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1CN(C)C)c1cccc(OC)c1 ZINC000498599133 884995152 /nfs/dbraw/zinc/99/51/52/884995152.db2.gz DDIQIBUMMARFGD-JOCHJYFZSA-N 1 3 383.536 3.570 20 0 GHADHO CCC[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000107326051 885343695 /nfs/dbraw/zinc/34/36/95/885343695.db2.gz VDZXROJSROYCLS-LJQANCHMSA-N 1 3 392.613 3.695 20 0 GHADHO CC(C)[C@H](CN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000532459648 885545245 /nfs/dbraw/zinc/54/52/45/885545245.db2.gz TWDPZATYXZZARD-XLIONFOSSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[C@@H](CN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000532459649 885546061 /nfs/dbraw/zinc/54/60/61/885546061.db2.gz TWDPZATYXZZARD-YLJYHZDGSA-N 1 3 379.976 3.787 20 0 GHADHO Cn1cncc1-c1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528811 885576763 /nfs/dbraw/zinc/57/67/63/885576763.db2.gz SJBDNDFZGDLAGE-UHFFFAOYSA-N 1 3 399.542 3.997 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](c4ccccc4)CC3(C)C)CC2)CC1 ZINC000915500080 887117784 /nfs/dbraw/zinc/11/77/84/887117784.db2.gz AJZNIFGHIZUKFO-HXUWFJFHSA-N 1 3 398.595 3.523 20 0 GHADHO CSC1(CNCc2c(Cl)n(C)nc2-c2ccccc2)CC[NH+](C)CC1 ZINC000810170442 888230687 /nfs/dbraw/zinc/23/06/87/888230687.db2.gz MXDUSSVKPULRET-UHFFFAOYSA-N 1 3 378.973 3.658 20 0 GHADHO CSC1(CNCc2cc3cnn(C(C)C)c3nc2Cl)CC[NH+](C)CC1 ZINC000810171286 888233243 /nfs/dbraw/zinc/23/32/43/888233243.db2.gz ZLXVMSMPEIGODZ-UHFFFAOYSA-N 1 3 381.977 3.583 20 0 GHADHO Brc1ccn2cc(CNC3CCC([NH+]4CCCCC4)CC3)nc2c1 ZINC000810148157 888237071 /nfs/dbraw/zinc/23/70/71/888237071.db2.gz OFVSUBPHQWHPEE-UHFFFAOYSA-N 1 3 391.357 3.984 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1CN1CCCCC1 ZINC000794833024 888282023 /nfs/dbraw/zinc/28/20/23/888282023.db2.gz JSSPGAVXEADMGM-ICSRJNTNSA-N 1 3 387.568 3.590 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@H]3CCCc4c(F)cccc43)cc2)CC1 ZINC000866375706 888851951 /nfs/dbraw/zinc/85/19/51/888851951.db2.gz YJRAFFYABHMTGV-QHCPKHFHSA-N 1 3 395.522 3.690 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000125101993 889874760 /nfs/dbraw/zinc/87/47/60/889874760.db2.gz JJVUEFDTZURSDG-FQEVSTJZSA-N 1 3 394.563 3.554 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000455114025 890367946 /nfs/dbraw/zinc/36/79/46/890367946.db2.gz KYOMZPKRUXWECO-OAQYLSRUSA-N 1 3 386.584 3.559 20 0 GHADHO COc1cc(CN2CCCOC(C)(C)C2)cc(C[N@@H+]2CCCOC(C)(C)C2)c1 ZINC000644994368 913592807 /nfs/dbraw/zinc/59/28/07/913592807.db2.gz HZZXGGQJWZELRU-UHFFFAOYSA-N 1 3 390.568 3.697 20 0 GHADHO COc1cc(CN2CCCOC(C)(C)C2)cc(C[N@H+]2CCCOC(C)(C)C2)c1 ZINC000644994368 913592823 /nfs/dbraw/zinc/59/28/23/913592823.db2.gz HZZXGGQJWZELRU-UHFFFAOYSA-N 1 3 390.568 3.697 20 0 GHADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000262023961 892199976 /nfs/dbraw/zinc/19/99/76/892199976.db2.gz YWXIRQZEPRMZSV-GOSISDBHSA-N 1 3 397.563 3.517 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c(N4CCCC4)c3)CC2)CC1 ZINC000874943693 892383931 /nfs/dbraw/zinc/38/39/31/892383931.db2.gz JYGSAKZOVSZEJH-UHFFFAOYSA-N 1 3 398.595 3.730 20 0 GHADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCc2sccc2C1 ZINC000508708982 892803964 /nfs/dbraw/zinc/80/39/64/892803964.db2.gz FNOOQEJRYUFPGF-SVFBPWRDSA-N 1 3 383.605 3.995 20 0 GHADHO CCC[NH+]1CCC(CNCc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 ZINC000877019331 893438196 /nfs/dbraw/zinc/43/81/96/893438196.db2.gz KAEYQHLODVWEEP-UHFFFAOYSA-N 1 3 394.560 3.646 20 0 GHADHO Fc1cc2c(cc1Br)[C@H](NC1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000459536411 893709700 /nfs/dbraw/zinc/70/97/00/893709700.db2.gz HQGYSSPMOKLPJD-QGZVFWFLSA-N 1 3 392.272 3.675 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCOC4CCOCC4)[C@H]3C2)cc1 ZINC000564236651 894755400 /nfs/dbraw/zinc/75/54/00/894755400.db2.gz BUGTYGFYBVCOPD-XWGVYQGASA-N 1 3 386.580 3.853 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](c4ccccc4C)C[C@@H]3C)CC2)CC1 ZINC000565187788 895448678 /nfs/dbraw/zinc/44/86/78/895448678.db2.gz ISSRKKLQUFYPNB-RBBKRZOGSA-N 1 3 397.607 3.896 20 0 GHADHO O=C(NC[C@@H]1CCCN(CCCc2c(Cl)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000565775112 895867693 /nfs/dbraw/zinc/86/76/93/895867693.db2.gz HDWIJZDZUJKHHP-KXBFYZLASA-N 1 3 398.378 3.506 20 0 GHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000565940128 895996165 /nfs/dbraw/zinc/99/61/65/895996165.db2.gz MIRVHMSZEBACAJ-FCHUYYIVSA-N 1 3 396.579 3.888 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3cccc(F)c3)C(C)C)CC2)CC1 ZINC000567121444 896890859 /nfs/dbraw/zinc/89/08/59/896890859.db2.gz GLNRZZXXSKEITR-UHFFFAOYSA-N 1 3 389.559 3.759 20 0 GHADHO OC1(CCN[C@H]2CCc3ccc(Cl)nc32)CC[NH+](Cc2ccccc2)CC1 ZINC000883343140 897510875 /nfs/dbraw/zinc/51/08/75/897510875.db2.gz ATZFNHSIXVOAIF-IBGZPJMESA-N 1 3 385.939 3.729 20 0 GHADHO O[C@@]1(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCc2ccccc21 ZINC000820829306 897570882 /nfs/dbraw/zinc/57/08/82/897570882.db2.gz HNCVPGDFSXCSTA-KYLYQBOTSA-N 1 3 376.544 3.996 20 0 GHADHO O[C@@]1(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCc2ccccc21 ZINC000820829306 897570893 /nfs/dbraw/zinc/57/08/93/897570893.db2.gz HNCVPGDFSXCSTA-KYLYQBOTSA-N 1 3 376.544 3.996 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3c4ccccc4CC[C@@H]3C)CC2)CC1 ZINC000568202223 897671045 /nfs/dbraw/zinc/67/10/45/897671045.db2.gz HAWRBOOQTRJBKI-MBSDFSHPSA-N 1 3 383.580 3.623 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)CC1 ZINC000108790964 898404094 /nfs/dbraw/zinc/40/40/94/898404094.db2.gz FAIPKDXCEKQCCH-BJKOFHAPSA-N 1 3 391.559 3.618 20 0 GHADHO FC(F)Oc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000571327353 899830533 /nfs/dbraw/zinc/83/05/33/899830533.db2.gz VUWGCNAUGXLYKD-KGLIPLIRSA-N 1 3 389.284 3.872 20 0 GHADHO CN(CCCN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)Cc1ccco1 ZINC000573395816 900493615 /nfs/dbraw/zinc/49/36/15/900493615.db2.gz WUHOYZQAQITNIE-UHFFFAOYSA-N 1 3 397.563 3.862 20 0 GHADHO Cc1cc([C@H](N)CC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cc(Cl)n1 ZINC000844186489 900571307 /nfs/dbraw/zinc/57/13/07/900571307.db2.gz XGHHNAKPOYBXLA-GOSISDBHSA-N 1 3 399.926 3.588 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177034 901196699 /nfs/dbraw/zinc/19/66/99/901196699.db2.gz ILDHUQZBBAMXGK-STZQEDGTSA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177034 901196709 /nfs/dbraw/zinc/19/67/09/901196709.db2.gz ILDHUQZBBAMXGK-STZQEDGTSA-N 1 3 375.520 3.690 20 0 GHADHO COc1cc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)ccc1SC ZINC000090525840 901434068 /nfs/dbraw/zinc/43/40/68/901434068.db2.gz USDPIIVTGVKICV-MNEFBYGVSA-N 1 3 378.582 3.836 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000577055112 902471418 /nfs/dbraw/zinc/47/14/18/902471418.db2.gz IOAGAYIUJMVXGK-KNKQGSTJSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000577055112 902471426 /nfs/dbraw/zinc/47/14/26/902471426.db2.gz IOAGAYIUJMVXGK-KNKQGSTJSA-N 1 3 388.577 3.777 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000578034236 903460615 /nfs/dbraw/zinc/46/06/15/903460615.db2.gz XGZKTJLZWONACY-LYCSZFELSA-N 1 3 397.607 3.914 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000779047993 903535258 /nfs/dbraw/zinc/53/52/58/903535258.db2.gz HJCFQSZMALIIGR-NHCUHLMSSA-N 1 3 387.568 3.540 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccccc2Cl)CC1 ZINC000579465371 904629723 /nfs/dbraw/zinc/62/97/23/904629723.db2.gz VWBDFPADQAIVKU-FXAWDEMLSA-N 1 3 388.939 3.895 20 0 GHADHO Fc1ccc(CC[NH+]2CCC(NCCOc3ncccc3Cl)CC2)cc1 ZINC000579507013 904660301 /nfs/dbraw/zinc/66/03/01/904660301.db2.gz WMTYANZDEZUFIM-UHFFFAOYSA-N 1 3 377.891 3.550 20 0 GHADHO COc1cc(CN2CCC3(C[NH+](C)C3)CC2)ccc1OC(=O)c1cccs1 ZINC001137258734 904811712 /nfs/dbraw/zinc/81/17/12/904811712.db2.gz XGQDFBPTLKHVEY-UHFFFAOYSA-N 1 3 386.517 3.504 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564617 904830074 /nfs/dbraw/zinc/83/00/74/904830074.db2.gz CTQGQVGRCXZMMC-RBBKRZOGSA-N 1 3 384.564 3.592 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564617 904830091 /nfs/dbraw/zinc/83/00/91/904830091.db2.gz CTQGQVGRCXZMMC-RBBKRZOGSA-N 1 3 384.564 3.592 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171632222 904854037 /nfs/dbraw/zinc/85/40/37/904854037.db2.gz XGJPQVHGVCNUOS-MRXNPFEDSA-N 1 3 379.589 3.827 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171632222 904854045 /nfs/dbraw/zinc/85/40/45/904854045.db2.gz XGJPQVHGVCNUOS-MRXNPFEDSA-N 1 3 379.589 3.827 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001171881275 905152813 /nfs/dbraw/zinc/15/28/13/905152813.db2.gz WLPPVHNPPBQYKM-QFIPXVFZSA-N 1 3 383.580 3.926 20 0 GHADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967450 905176178 /nfs/dbraw/zinc/17/61/78/905176178.db2.gz ACOPMPFQJHVWAQ-IEBWSBKVSA-N 1 3 375.557 3.932 20 0 GHADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967450 905176189 /nfs/dbraw/zinc/17/61/89/905176189.db2.gz ACOPMPFQJHVWAQ-IEBWSBKVSA-N 1 3 375.557 3.932 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3nnc(-c4ccccc4F)n3c1)C2 ZINC001172108555 905355449 /nfs/dbraw/zinc/35/54/49/905355449.db2.gz BHPFNSBDVGCZMG-NNZMDNLPSA-N 1 3 379.483 3.640 20 0 GHADHO CC(C)OCC[C@@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172445887 905562641 /nfs/dbraw/zinc/56/26/41/905562641.db2.gz GQCMBKIDVSBCCT-WTIAFYNJSA-N 1 3 378.601 3.651 20 0 GHADHO CC(C)OCC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172445887 905562652 /nfs/dbraw/zinc/56/26/52/905562652.db2.gz GQCMBKIDVSBCCT-WTIAFYNJSA-N 1 3 378.601 3.651 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172611609 905670258 /nfs/dbraw/zinc/67/02/58/905670258.db2.gz ZVMFCJOYCBHPPG-SJLPKXTDSA-N 1 3 398.469 3.773 20 0 GHADHO CCCC[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172639879 905702934 /nfs/dbraw/zinc/70/29/34/905702934.db2.gz GUXNAFBBKBXQHZ-FYQPLNBISA-N 1 3 379.589 3.828 20 0 GHADHO CCCC[C@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172639879 905702940 /nfs/dbraw/zinc/70/29/40/905702940.db2.gz GUXNAFBBKBXQHZ-FYQPLNBISA-N 1 3 379.589 3.828 20 0 GHADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc2ccccc2c1 ZINC000177629860 906184010 /nfs/dbraw/zinc/18/40/10/906184010.db2.gz OCQOZWSGRCQDOP-GOSISDBHSA-N 1 3 379.548 3.618 20 0 GHADHO CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)C1 ZINC001173374719 906403366 /nfs/dbraw/zinc/40/33/66/906403366.db2.gz MOOVCEWBEOBHNN-HSZRJFAPSA-N 1 3 375.560 3.878 20 0 GHADHO CCN1CC[C@@H]([N@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)C1 ZINC001173374719 906403373 /nfs/dbraw/zinc/40/33/73/906403373.db2.gz MOOVCEWBEOBHNN-HSZRJFAPSA-N 1 3 375.560 3.878 20 0 GHADHO Cc1ccc(F)cc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000180164248 906705049 /nfs/dbraw/zinc/70/50/49/906705049.db2.gz LTSQSXSAOAPWNB-UHFFFAOYSA-N 1 3 386.511 3.914 20 0 GHADHO Cc1ccc(F)cc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000180164248 906705062 /nfs/dbraw/zinc/70/50/62/906705062.db2.gz LTSQSXSAOAPWNB-UHFFFAOYSA-N 1 3 386.511 3.914 20 0 GHADHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)NCC2([NH3+])CCOCC2)nc1 ZINC000629519991 906852345 /nfs/dbraw/zinc/85/23/45/906852345.db2.gz JSTQWLVKYDFDTA-OAQYLSRUSA-N 1 3 387.955 3.549 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(NC(C)=O)cc3)cc2)CC1 ZINC000181956203 907104955 /nfs/dbraw/zinc/10/49/55/907104955.db2.gz YJVWXBVHYLQCSD-LJQANCHMSA-N 1 3 394.563 3.633 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)s1 ZINC000182273923 907175368 /nfs/dbraw/zinc/17/53/68/907175368.db2.gz PRRIQXSSIXYGKB-BBRMVZONSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)s1 ZINC000182273923 907175374 /nfs/dbraw/zinc/17/53/74/907175374.db2.gz PRRIQXSSIXYGKB-BBRMVZONSA-N 1 3 395.366 3.928 20 0 GHADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183128167 907332092 /nfs/dbraw/zinc/33/20/92/907332092.db2.gz CLSUCGLIDVPAIT-AKIFATBCSA-N 1 3 383.580 3.524 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001175155660 907382846 /nfs/dbraw/zinc/38/28/46/907382846.db2.gz BWUMBOHONVMAEG-HSZRJFAPSA-N 1 3 385.596 3.618 20 0 GHADHO CN1CCN(Cc2ccccc2NC2=CC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001175506368 907594712 /nfs/dbraw/zinc/59/47/12/907594712.db2.gz WPFMNRPJOHWPHW-UHFFFAOYSA-N 1 3 376.548 3.636 20 0 GHADHO CN1CCN(Cc2ccccc2NC2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001175506368 907594729 /nfs/dbraw/zinc/59/47/29/907594729.db2.gz WPFMNRPJOHWPHW-UHFFFAOYSA-N 1 3 376.548 3.636 20 0 GHADHO Cc1c(-c2cc(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)on2)cnn1C ZINC000184504710 907596127 /nfs/dbraw/zinc/59/61/27/907596127.db2.gz IKDDSVUUDADWNA-UHFFFAOYSA-N 1 3 393.535 3.728 20 0 GHADHO Cc1c(-c2cc(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)on2)cnn1C ZINC000184504710 907596131 /nfs/dbraw/zinc/59/61/31/907596131.db2.gz IKDDSVUUDADWNA-UHFFFAOYSA-N 1 3 393.535 3.728 20 0 GHADHO CC(C)N1CCCC[C@@H]1C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001175690407 907695167 /nfs/dbraw/zinc/69/51/67/907695167.db2.gz XYJDVPAYHUVKGN-GMKZXUHWSA-N 1 3 385.596 3.615 20 0 GHADHO CC(C)N1CCCC[C@@H]1C[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001175690407 907695171 /nfs/dbraw/zinc/69/51/71/907695171.db2.gz XYJDVPAYHUVKGN-GMKZXUHWSA-N 1 3 385.596 3.615 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000192755704 907881498 /nfs/dbraw/zinc/88/14/98/907881498.db2.gz RTTIXLFHHUPFGB-RPWUZVMVSA-N 1 3 387.612 3.771 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000192755704 907881509 /nfs/dbraw/zinc/88/15/09/907881509.db2.gz RTTIXLFHHUPFGB-RPWUZVMVSA-N 1 3 387.612 3.771 20 0 GHADHO OC1(C[NH+]2CCCCC2)CCN(CCCOc2ccc3ccccc3c2)CC1 ZINC001176879555 908285458 /nfs/dbraw/zinc/28/54/58/908285458.db2.gz LKPBRJZCALHJNL-UHFFFAOYSA-N 1 3 382.548 3.922 20 0 GHADHO C[C@H](CCNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC001178463663 909066275 /nfs/dbraw/zinc/06/62/75/909066275.db2.gz SZOXLADLFMPUHV-CABCVRRESA-N 1 3 381.483 3.686 20 0 GHADHO c1ccc(COc2ccccc2CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000635002985 909097393 /nfs/dbraw/zinc/09/73/93/909097393.db2.gz CYXOYMQVZPGMCA-RJGXRXQPSA-N 1 3 380.532 3.555 20 0 GHADHO COCCOC[C@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001179854348 909770591 /nfs/dbraw/zinc/77/05/91/909770591.db2.gz FGWUPRNXNJGJKA-UPVQGACJSA-N 1 3 388.596 3.910 20 0 GHADHO COCCOC[C@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001179854348 909770605 /nfs/dbraw/zinc/77/06/05/909770605.db2.gz FGWUPRNXNJGJKA-UPVQGACJSA-N 1 3 388.596 3.910 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)N1[C@H](C)CC[C@@H]1C ZINC000245998589 910042136 /nfs/dbraw/zinc/04/21/36/910042136.db2.gz DIWVAACQQYPTDL-IXDOHACOSA-N 1 3 390.547 3.556 20 0 GHADHO COC(=O)CC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001180302165 910057873 /nfs/dbraw/zinc/05/78/73/910057873.db2.gz TZUWWYOVFRYBMU-CIAQSOCLSA-N 1 3 384.564 3.999 20 0 GHADHO CS(=O)(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638374998 910135195 /nfs/dbraw/zinc/13/51/95/910135195.db2.gz UJOCMJXOJYLOOE-IRLDBZIGSA-N 1 3 399.560 3.516 20 0 GHADHO CS(=O)(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638374998 910135197 /nfs/dbraw/zinc/13/51/97/910135197.db2.gz UJOCMJXOJYLOOE-IRLDBZIGSA-N 1 3 399.560 3.516 20 0 GHADHO Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639079729 910309233 /nfs/dbraw/zinc/30/92/33/910309233.db2.gz MIBPKJPUJYWARZ-ZDFPQIBNSA-N 1 3 380.536 3.598 20 0 GHADHO Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639079729 910309245 /nfs/dbraw/zinc/30/92/45/910309245.db2.gz MIBPKJPUJYWARZ-ZDFPQIBNSA-N 1 3 380.536 3.598 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3oc(-c4ccccc4)nc3C)CC2)CC1 ZINC000639689762 910613371 /nfs/dbraw/zinc/61/33/71/910613371.db2.gz YJCJXZVIVQWZET-UHFFFAOYSA-N 1 3 382.552 3.642 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001181485914 910816545 /nfs/dbraw/zinc/81/65/45/910816545.db2.gz KZCYAGAAHQLARP-SFHVURJKSA-N 1 3 397.510 3.825 20 0 GHADHO COc1c(Br)cccc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647249422 915105036 /nfs/dbraw/zinc/10/50/36/915105036.db2.gz ZKWDUTUCPGDEQH-MSOLQXFVSA-N 1 3 389.337 3.893 20 0 GHADHO O=C(CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000647900741 915430617 /nfs/dbraw/zinc/43/06/17/915430617.db2.gz FVRRPRCTACKQDP-XZOQPEGZSA-N 1 3 391.559 3.746 20 0 GHADHO CCCc1ccc(CCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000648756692 915865430 /nfs/dbraw/zinc/86/54/30/915865430.db2.gz IPBGATURGPBUIO-UHFFFAOYSA-N 1 3 385.596 3.637 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649101920 916020593 /nfs/dbraw/zinc/02/05/93/916020593.db2.gz MKOKUEPORPWOBV-QUCCMNQESA-N 1 3 391.515 3.570 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000649101920 916020610 /nfs/dbraw/zinc/02/06/10/916020610.db2.gz MKOKUEPORPWOBV-QUCCMNQESA-N 1 3 391.515 3.570 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)ccc1OC ZINC000775382521 917314796 /nfs/dbraw/zinc/31/47/96/917314796.db2.gz OVXUDRIFTJWBTF-YJBOKZPZSA-N 1 3 387.490 3.824 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cc1CN1CCCCC1 ZINC000775402087 917456020 /nfs/dbraw/zinc/45/60/20/917456020.db2.gz YSBOPBQWDZRICJ-RTBURBONSA-N 1 3 386.536 3.776 20 0 GHADHO CN(CCCO)C1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC001191004766 917701132 /nfs/dbraw/zinc/70/11/32/917701132.db2.gz PRDAYPYSZZAFSS-UHFFFAOYSA-N 1 3 388.474 3.643 20 0 GHADHO CCN(CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000775502420 918456600 /nfs/dbraw/zinc/45/66/00/918456600.db2.gz WFPFFWSAEGGKDN-QUCCMNQESA-N 1 3 375.557 3.744 20 0 GHADHO COCCOc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000902501869 922241206 /nfs/dbraw/zinc/24/12/06/922241206.db2.gz CRLPZMUWNUJGAY-HYVJGQCMSA-N 1 3 382.504 3.618 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199837 922848779 /nfs/dbraw/zinc/84/87/79/922848779.db2.gz NHQPRYVRIJZIDA-ZJSXRUAMSA-N 1 3 398.522 3.650 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199837 922848788 /nfs/dbraw/zinc/84/87/88/922848788.db2.gz NHQPRYVRIJZIDA-ZJSXRUAMSA-N 1 3 398.522 3.650 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000903761665 923265290 /nfs/dbraw/zinc/26/52/90/923265290.db2.gz ZAQCKTMWSOTXOD-JTHBVZDNSA-N 1 3 399.510 3.615 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806744 924505876 /nfs/dbraw/zinc/50/58/76/924505876.db2.gz MGGTVGGPTVHFJK-MZYLBHOOSA-N 1 3 387.612 3.766 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000679394880 925122813 /nfs/dbraw/zinc/12/28/13/925122813.db2.gz RJLOUTGWGAFRTA-CWBXHPNXSA-N 1 3 381.564 3.563 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000679394880 925122816 /nfs/dbraw/zinc/12/28/16/925122816.db2.gz RJLOUTGWGAFRTA-CWBXHPNXSA-N 1 3 381.564 3.563 20 0 GHADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446870 925817330 /nfs/dbraw/zinc/81/73/30/925817330.db2.gz NSZYGGSMWSVVGY-HSZRJFAPSA-N 1 3 385.552 3.507 20 0 GHADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446870 925817339 /nfs/dbraw/zinc/81/73/39/925817339.db2.gz NSZYGGSMWSVVGY-HSZRJFAPSA-N 1 3 385.552 3.507 20 0 GHADHO O=C1CC[C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]2N1C1CC1 ZINC000411402333 926363222 /nfs/dbraw/zinc/36/32/22/926363222.db2.gz ZZCVBZZUURVZLB-JTHBVZDNSA-N 1 3 381.564 3.648 20 0 GHADHO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(CN3CCCCC3)c2)cc1 ZINC000411480118 926444011 /nfs/dbraw/zinc/44/40/11/926444011.db2.gz HSGZLSVEMWUZHQ-UHFFFAOYSA-N 1 3 395.547 3.543 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411521141 926483805 /nfs/dbraw/zinc/48/38/05/926483805.db2.gz XZDGYXBOYBWNDO-JKSUJKDBSA-N 1 3 393.959 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411521141 926483810 /nfs/dbraw/zinc/48/38/10/926483810.db2.gz XZDGYXBOYBWNDO-JKSUJKDBSA-N 1 3 393.959 3.920 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](Cc2ccccc2)c2cccs2)CC1 ZINC000411518122 926485514 /nfs/dbraw/zinc/48/55/14/926485514.db2.gz OIJHUXGEKITTGM-HXUWFJFHSA-N 1 3 385.577 3.611 20 0 GHADHO CC[C@H](N[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000411888230 926894362 /nfs/dbraw/zinc/89/43/62/926894362.db2.gz QFFOZDBQGQRTEY-XXBNENTESA-N 1 3 379.548 3.897 20 0 GHADHO CCN1CCN(c2ccc(C(=O)Nc3ccc(C[NH+](CC)CC)cc3)cc2)CC1 ZINC000470101594 930375061 /nfs/dbraw/zinc/37/50/61/930375061.db2.gz CYJGRFCHYIWRDY-UHFFFAOYSA-N 1 3 394.563 3.923 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000558316546 931938209 /nfs/dbraw/zinc/93/82/09/931938209.db2.gz LLXJFMUAUKAURU-IFMALSPDSA-N 1 3 388.600 3.517 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000558316546 931938213 /nfs/dbraw/zinc/93/82/13/931938213.db2.gz LLXJFMUAUKAURU-IFMALSPDSA-N 1 3 388.600 3.517 20 0 GHADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2cn(-c3ccccc3)nn2)CC1 ZINC000796839147 932085125 /nfs/dbraw/zinc/08/51/25/932085125.db2.gz MRPXAPXROKYZNH-UHFFFAOYSA-N 1 3 375.520 3.800 20 0 GHADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2cn(-c3ccccc3)nn2)CC1 ZINC000796839147 932085136 /nfs/dbraw/zinc/08/51/36/932085136.db2.gz MRPXAPXROKYZNH-UHFFFAOYSA-N 1 3 375.520 3.800 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2CCN(C(=O)OC)CC2)ccc1OC ZINC000797093932 932180733 /nfs/dbraw/zinc/18/07/33/932180733.db2.gz MTFSADOBHZXRME-KRWDZBQOSA-N 1 3 391.556 3.666 20 0 GHADHO OC1(CCN[C@H]2CCc3c2nccc3Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000926854626 932328180 /nfs/dbraw/zinc/32/81/80/932328180.db2.gz DMAMYDQKBDZXGA-FQEVSTJZSA-N 1 3 385.939 3.729 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2cccc(CN3CCCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000559741440 932829657 /nfs/dbraw/zinc/82/96/57/932829657.db2.gz MEQJIUBGTJOBMQ-XZOQPEGZSA-N 1 3 377.532 3.734 20 0 GHADHO C[N@H+]1CC[C@H](NCc2cccc(CN3CCCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000559741440 932829663 /nfs/dbraw/zinc/82/96/63/932829663.db2.gz MEQJIUBGTJOBMQ-XZOQPEGZSA-N 1 3 377.532 3.734 20 0 GHADHO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177056 932898348 /nfs/dbraw/zinc/89/83/48/932898348.db2.gz JNVDDHUPHYQJAQ-MRXNPFEDSA-N 1 3 395.950 3.634 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(C4CCC4)cc3)c2)C1 ZINC000560063051 933044336 /nfs/dbraw/zinc/04/43/36/933044336.db2.gz NBSOCWZCKZOMCS-DEOSSOPVSA-N 1 3 391.559 3.941 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(C4CCC4)cc3)c2)C1 ZINC000560063051 933044341 /nfs/dbraw/zinc/04/43/41/933044341.db2.gz NBSOCWZCKZOMCS-DEOSSOPVSA-N 1 3 391.559 3.941 20 0 GHADHO NC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000560537907 933323236 /nfs/dbraw/zinc/32/32/36/933323236.db2.gz VBPKXSRGCFRDGI-RBZQAINGSA-N 1 3 391.559 3.608 20 0 GHADHO COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001116920429 933828823 /nfs/dbraw/zinc/82/88/23/933828823.db2.gz CDMGZCJBIVUJBS-HSZRJFAPSA-N 1 3 379.548 3.610 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CCN1CCOCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470950400 1016928226 /nfs/dbraw/zinc/92/82/26/1016928226.db2.gz XUTJLCGFYJVAHQ-KPWCQOOUSA-N 1 3 376.385 3.548 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CCN1CCOCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470950400 1016928231 /nfs/dbraw/zinc/92/82/31/1016928231.db2.gz XUTJLCGFYJVAHQ-KPWCQOOUSA-N 1 3 376.385 3.548 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOCCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470950400 1016928237 /nfs/dbraw/zinc/92/82/37/1016928237.db2.gz XUTJLCGFYJVAHQ-KPWCQOOUSA-N 1 3 376.385 3.548 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOCCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470950400 1016928239 /nfs/dbraw/zinc/92/82/39/1016928239.db2.gz XUTJLCGFYJVAHQ-KPWCQOOUSA-N 1 3 376.385 3.548 20 0 GHADHO Cc1csc2sc(C[N@H+]3CC[C@@]4(CCN(CCN(C)C)C4=O)C3)c(C)c12 ZINC001277201162 1032382594 /nfs/dbraw/zinc/38/25/94/1032382594.db2.gz QWVXYXYESQWKRG-HXUWFJFHSA-N 1 3 391.606 3.566 20 0 GHADHO Cc1csc2sc(C[N@@H+]3CC[C@@]4(CCN(CCN(C)C)C4=O)C3)c(C)c12 ZINC001277201162 1032382605 /nfs/dbraw/zinc/38/26/05/1032382605.db2.gz QWVXYXYESQWKRG-HXUWFJFHSA-N 1 3 391.606 3.566 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NCCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC001221761932 1032525787 /nfs/dbraw/zinc/52/57/87/1032525787.db2.gz YVBGZBICGXWLMV-QFIPXVFZSA-N 1 3 388.600 3.519 20 0 GHADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000560527219 1017653371 /nfs/dbraw/zinc/65/33/71/1017653371.db2.gz AUJBXJIBFTXROS-RJGXRXQPSA-N 1 3 383.580 3.669 20 0 GHADHO CCOc1c(Br)cc(CNCc2ccc(C[NH3+])cc2)cc1OC ZINC000564973618 1019133509 /nfs/dbraw/zinc/13/35/09/1019133509.db2.gz LIUAUYCTCXGZJW-UHFFFAOYSA-N 1 3 379.298 3.605 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000568502305 1019413962 /nfs/dbraw/zinc/41/39/62/1019413962.db2.gz PLTFXEYLOVIZJN-GHTZIAJQSA-N 1 3 393.531 3.723 20 0 GHADHO CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000577188669 1020143444 /nfs/dbraw/zinc/14/34/44/1020143444.db2.gz ILAJVQJDWGBSFL-QHCPKHFHSA-N 1 3 379.548 3.527 20 0 GHADHO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2cc(CN(C)C)ccn2)cc1 ZINC001156294136 1032964584 /nfs/dbraw/zinc/96/45/84/1032964584.db2.gz KUZNFXGJEBAIPK-NRFANRHFSA-N 1 3 382.552 3.643 20 0 GHADHO COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)c2cc(CN(C)C)ccn2)cc1 ZINC001156294136 1032964588 /nfs/dbraw/zinc/96/45/88/1032964588.db2.gz KUZNFXGJEBAIPK-NRFANRHFSA-N 1 3 382.552 3.643 20 0 GHADHO CCOc1ccc2[nH]cc(C[N@@H+]3CC[C@@]4(CN(C)C[C@@H]4COCC4CC4)C3)c2c1 ZINC001140269619 1021293751 /nfs/dbraw/zinc/29/37/51/1021293751.db2.gz WGBQFYCBISGOMF-HYBUGGRVSA-N 1 3 397.563 3.747 20 0 GHADHO CCOc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(CN(C)C[C@@H]4COCC4CC4)C3)c2c1 ZINC001140269619 1021293759 /nfs/dbraw/zinc/29/37/59/1021293759.db2.gz WGBQFYCBISGOMF-HYBUGGRVSA-N 1 3 397.563 3.747 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)Nc1ccccc1 ZINC000679722140 1022043780 /nfs/dbraw/zinc/04/37/80/1022043780.db2.gz WCOGHRQELRLZSV-AKIFATBCSA-N 1 3 377.532 3.906 20 0 GHADHO COC(=O)Cc1ccccc1C[NH+]1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC001140651496 1022163911 /nfs/dbraw/zinc/16/39/11/1022163911.db2.gz KSZZISSZEVVRLK-JOCHJYFZSA-N 1 3 396.531 3.872 20 0 GHADHO C[C@@H](CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001138145268 1024228455 /nfs/dbraw/zinc/22/84/55/1024228455.db2.gz SKHZHZPMRQYLCN-KXBFYZLASA-N 1 3 381.511 3.584 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000837884728 1024781797 /nfs/dbraw/zinc/78/17/97/1024781797.db2.gz UGMXYJRMUNIKHF-OAQYLSRUSA-N 1 3 388.600 3.662 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cnc(-c2ccccc2)[nH]1 ZINC001202861074 1025277808 /nfs/dbraw/zinc/27/78/08/1025277808.db2.gz YGLFJLJXETXDDV-FYYLOGMGSA-N 1 3 390.531 3.703 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cnc(-c2ccccc2)[nH]1 ZINC001202861074 1025277818 /nfs/dbraw/zinc/27/78/18/1025277818.db2.gz YGLFJLJXETXDDV-FYYLOGMGSA-N 1 3 390.531 3.703 20 0 GHADHO Cc1cc(N2CCN(c3cc(Cl)nc4c3CCNC4)CC2)c2ccccc2[nH+]1 ZINC001164203458 1026450478 /nfs/dbraw/zinc/45/04/78/1026450478.db2.gz ZUGRALOMDPFCTB-UHFFFAOYSA-N 1 3 393.922 3.564 20 0 GHADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001461123614 1069402544 /nfs/dbraw/zinc/40/25/44/1069402544.db2.gz WMBQMBBDHZNSJR-SFHVURJKSA-N 1 3 387.568 3.801 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(C)cc2c1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001139866153 1026678765 /nfs/dbraw/zinc/67/87/65/1026678765.db2.gz JFQBZBXQXJKSDY-UHFFFAOYSA-N 1 3 383.536 3.961 20 0 GHADHO c1ccc([C@@H](CNc2cncc([C@@H]3CN4CCC3CC4)n2)[NH+]2CCCC2)cc1 ZINC001166890432 1027136088 /nfs/dbraw/zinc/13/60/88/1027136088.db2.gz ZPQMXODTDJPEFK-IFMALSPDSA-N 1 3 377.536 3.535 20 0 GHADHO CCc1nc(C)c(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001203239046 1027245621 /nfs/dbraw/zinc/24/56/21/1027245621.db2.gz UWOPXNDLEHODES-FQEVSTJZSA-N 1 3 382.552 3.536 20 0 GHADHO CCc1nc(C)c(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001203239046 1027245626 /nfs/dbraw/zinc/24/56/26/1027245626.db2.gz UWOPXNDLEHODES-FQEVSTJZSA-N 1 3 382.552 3.536 20 0 GHADHO CC(=O)OCc1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001141795262 1027301781 /nfs/dbraw/zinc/30/17/81/1027301781.db2.gz AUZPLLMSHJDSCB-RTWAWAEBSA-N 1 3 382.504 3.687 20 0 GHADHO CC(=O)OCc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001141795262 1027301794 /nfs/dbraw/zinc/30/17/94/1027301794.db2.gz AUZPLLMSHJDSCB-RTWAWAEBSA-N 1 3 382.504 3.687 20 0 GHADHO Cc1onc(-c2ccccc2)c1C[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001141984286 1027813343 /nfs/dbraw/zinc/81/33/43/1027813343.db2.gz ZMQWIGQNPQGSPY-ZJSXRUAMSA-N 1 3 395.547 3.830 20 0 GHADHO Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001141984286 1027813358 /nfs/dbraw/zinc/81/33/58/1027813358.db2.gz ZMQWIGQNPQGSPY-ZJSXRUAMSA-N 1 3 395.547 3.830 20 0 GHADHO NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000840862980 1027898734 /nfs/dbraw/zinc/89/87/34/1027898734.db2.gz DCQZKLMMBNPHPR-CWBXHPNXSA-N 1 3 393.531 3.892 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(OC(F)(F)F)cc1 ZINC001461379235 1069525850 /nfs/dbraw/zinc/52/58/50/1069525850.db2.gz MMAHMNWBDVFHCA-LJQANCHMSA-N 1 3 394.437 3.832 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(OC(F)(F)F)cc1 ZINC001461379235 1069525853 /nfs/dbraw/zinc/52/58/53/1069525853.db2.gz MMAHMNWBDVFHCA-LJQANCHMSA-N 1 3 394.437 3.832 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccnc3[nH]ccc31)CC2 ZINC001142875178 1029622551 /nfs/dbraw/zinc/62/25/51/1029622551.db2.gz ZFRPJKWIQKPWFW-OAQYLSRUSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccnc3[nH]ccc31)CC2 ZINC001142875178 1029622557 /nfs/dbraw/zinc/62/25/57/1029622557.db2.gz ZFRPJKWIQKPWFW-OAQYLSRUSA-N 1 3 390.531 3.818 20 0 GHADHO CCN1CCN(c2ccc(Nc3c[nH+]cn3Cc3ccccc3)cc2F)CC1 ZINC001216553768 1029684382 /nfs/dbraw/zinc/68/43/82/1029684382.db2.gz LZVLYMXUNYBXJT-UHFFFAOYSA-N 1 3 379.483 3.956 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc4nccn4c2)CC3)c1 ZINC001143025257 1029789471 /nfs/dbraw/zinc/78/94/71/1029789471.db2.gz GOJWSZDMANMMJK-UHFFFAOYSA-N 1 3 390.531 3.831 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc4nccn4c2)CC3)c1 ZINC001143025257 1029789482 /nfs/dbraw/zinc/78/94/82/1029789482.db2.gz GOJWSZDMANMMJK-UHFFFAOYSA-N 1 3 390.531 3.831 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cc3cccnc3[nH]1)CC2 ZINC001143215706 1029919434 /nfs/dbraw/zinc/91/94/34/1029919434.db2.gz BUDPVABSCFOKJN-QFIPXVFZSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cc3cccnc3[nH]1)CC2 ZINC001143215706 1029919442 /nfs/dbraw/zinc/91/94/42/1029919442.db2.gz BUDPVABSCFOKJN-QFIPXVFZSA-N 1 3 390.531 3.818 20 0 GHADHO CCOC(=O)[C@@]12C[N@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@@H]1CNCCC2 ZINC001222125814 1029972496 /nfs/dbraw/zinc/97/24/96/1029972496.db2.gz XDKVZNBQLUNVEW-ICSRJNTNSA-N 1 3 398.469 3.503 20 0 GHADHO CCOC(=O)[C@@]12C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@@H]1CNCCC2 ZINC001222125814 1029972499 /nfs/dbraw/zinc/97/24/99/1029972499.db2.gz XDKVZNBQLUNVEW-ICSRJNTNSA-N 1 3 398.469 3.503 20 0 GHADHO CCOC(=O)[C@@]12CN(CCCc3ccc(C(F)(F)F)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001222125814 1029972509 /nfs/dbraw/zinc/97/25/09/1029972509.db2.gz XDKVZNBQLUNVEW-ICSRJNTNSA-N 1 3 398.469 3.503 20 0 GHADHO CCOc1cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC001461605692 1069637064 /nfs/dbraw/zinc/63/70/64/1069637064.db2.gz KVBAHOSFQVGXCZ-SJORKVTESA-N 1 3 397.357 3.963 20 0 GHADHO CCOc1cc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC001461605692 1069637069 /nfs/dbraw/zinc/63/70/69/1069637069.db2.gz KVBAHOSFQVGXCZ-SJORKVTESA-N 1 3 397.357 3.963 20 0 GHADHO c1[nH]c2ncccc2c1CN1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222574606 1030205133 /nfs/dbraw/zinc/20/51/33/1030205133.db2.gz IBSHAFWRCRWJRI-OAQYLSRUSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]c2ncccc2c1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222574606 1030205146 /nfs/dbraw/zinc/20/51/46/1030205146.db2.gz IBSHAFWRCRWJRI-OAQYLSRUSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]c2ncccc2c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222574606 1030205151 /nfs/dbraw/zinc/20/51/51/1030205151.db2.gz IBSHAFWRCRWJRI-OAQYLSRUSA-N 1 3 390.531 3.866 20 0 GHADHO N[C@H](C(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1)C1CC[NH2+]CC1 ZINC001218608192 1031003774 /nfs/dbraw/zinc/00/37/74/1031003774.db2.gz SPRRDPMBCCSAMR-HNNXBMFYSA-N 1 3 383.439 3.699 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(-c2ccccc2)nn1C1CCC1 ZINC001218726725 1031052710 /nfs/dbraw/zinc/05/27/10/1031052710.db2.gz RQQLISHXRHZQDO-IBGZPJMESA-N 1 3 383.540 3.709 20 0 GHADHO Cc1c(C(F)(F)F)cc(Cl)c(Cl)c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218912774 1031149911 /nfs/dbraw/zinc/14/99/11/1031149911.db2.gz MJSGXEDUWUHXNJ-GFCCVEGCSA-N 1 3 384.229 3.586 20 0 GHADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001218938221 1031163602 /nfs/dbraw/zinc/16/36/02/1031163602.db2.gz QGWNFCUIXMGHQZ-HXUWFJFHSA-N 1 3 397.950 3.879 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001224898663 1031169828 /nfs/dbraw/zinc/16/98/28/1031169828.db2.gz KGSCCJHOXPNSOR-BAGYTPMASA-N 1 3 386.584 3.776 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001224898663 1031169834 /nfs/dbraw/zinc/16/98/34/1031169834.db2.gz KGSCCJHOXPNSOR-BAGYTPMASA-N 1 3 386.584 3.776 20 0 GHADHO CN1CCc2nc(Cl)nc(-n3cc(C4CC[NH2+]CC4)c4cccc(F)c43)c2C1 ZINC001157358497 1033551366 /nfs/dbraw/zinc/55/13/66/1033551366.db2.gz BDNDDJJTBKEMTG-UHFFFAOYSA-N 1 3 399.901 3.668 20 0 GHADHO CC(C)CN(Cc1ccccc1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001205922853 1033637507 /nfs/dbraw/zinc/63/75/07/1033637507.db2.gz CAPIJWSWSFDCOU-UHFFFAOYSA-N 1 3 377.536 3.855 20 0 GHADHO C[C@@H]1CN(Cc2cc(OC(F)F)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206024130 1033691302 /nfs/dbraw/zinc/69/13/02/1033691302.db2.gz HXHUVTIDHHYNSZ-VXGBXAGGSA-N 1 3 377.273 3.857 20 0 GHADHO COc1ccc(CN(c2ncccc2CN2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158165425 1033946281 /nfs/dbraw/zinc/94/62/81/1033946281.db2.gz RKWBISDRCQESAY-HZCBDIJESA-N 1 3 394.563 3.963 20 0 GHADHO CC(C)(C)OC(=O)NC12CC(CCN3CCC(C)([NH+]4CCCC4)CC3)(C1)C2 ZINC001207230814 1034197475 /nfs/dbraw/zinc/19/74/75/1034197475.db2.gz DIIIYSPYWAMTEJ-UHFFFAOYSA-N 1 3 377.573 3.774 20 0 GHADHO COc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)CC3 ZINC001207614012 1034490321 /nfs/dbraw/zinc/49/03/21/1034490321.db2.gz WIFOKTRDPBHBEN-UTKZUKDTSA-N 1 3 378.520 3.711 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c[nH]c3cccnc13)CC2 ZINC001231490458 1034634451 /nfs/dbraw/zinc/63/44/51/1034634451.db2.gz ZMLAILGWJONCBL-OAQYLSRUSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c[nH]c3cccnc13)CC2 ZINC001231490458 1034634462 /nfs/dbraw/zinc/63/44/62/1034634462.db2.gz ZMLAILGWJONCBL-OAQYLSRUSA-N 1 3 390.531 3.818 20 0 GHADHO Cc1cc(Br)ccc1N1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208111809 1034740651 /nfs/dbraw/zinc/74/06/51/1034740651.db2.gz OTCCMJIGPREFJB-UHFFFAOYSA-N 1 3 380.374 3.611 20 0 GHADHO N[C@H](CCC[NH3+])NC(F)(F)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1 ZINC001159789746 1034743254 /nfs/dbraw/zinc/74/32/54/1034743254.db2.gz WODPUBRREKMYJB-AWEZNQCLSA-N 1 3 375.250 3.718 20 0 GHADHO Cc1cc(N2CCN(CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc[nH+]1 ZINC001208233666 1034822233 /nfs/dbraw/zinc/82/22/33/1034822233.db2.gz AJKFHJWSZHPHKD-IBGZPJMESA-N 1 3 388.556 3.549 20 0 GHADHO Oc1cccc(N2CC[NH2+]CC2)c1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001160013509 1034829485 /nfs/dbraw/zinc/82/94/85/1034829485.db2.gz VHXYIVJYXSMMRV-UHFFFAOYSA-N 1 3 384.499 3.670 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1cccc3c1OCCO3)CC2 ZINC001231883377 1034966948 /nfs/dbraw/zinc/96/69/48/1034966948.db2.gz KYFKLSLVZVSTEO-NRFANRHFSA-N 1 3 382.504 3.927 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1cccc3c1OCCO3)CC2 ZINC001231883377 1034966952 /nfs/dbraw/zinc/96/69/52/1034966952.db2.gz KYFKLSLVZVSTEO-NRFANRHFSA-N 1 3 382.504 3.927 20 0 GHADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160680807 1035034395 /nfs/dbraw/zinc/03/43/95/1035034395.db2.gz VTXIXFXWFXBMSS-ZTCOLXNVSA-N 1 3 391.559 3.678 20 0 GHADHO CN(CCCC1c2ccccc2C=Cc2ccccc21)C(=O)[C@@H](N)CCC[NH3+] ZINC001160917990 1035093284 /nfs/dbraw/zinc/09/32/84/1035093284.db2.gz DDKNMFKZZHKHON-QHCPKHFHSA-N 1 3 377.532 3.607 20 0 GHADHO CN(C)C(=O)N1CCCC12CCN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208935935 1035101689 /nfs/dbraw/zinc/10/16/89/1035101689.db2.gz QLUUKYYFWRMVDO-JOCHJYFZSA-N 1 3 398.595 3.511 20 0 GHADHO CN(C)C(=O)N1CCCC12CCN(C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208935935 1035101693 /nfs/dbraw/zinc/10/16/93/1035101693.db2.gz QLUUKYYFWRMVDO-JOCHJYFZSA-N 1 3 398.595 3.511 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CCN2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940389 1035109653 /nfs/dbraw/zinc/10/96/53/1035109653.db2.gz CEOTUZSNRBAYAE-OAQYLSRUSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CCN2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940389 1035109659 /nfs/dbraw/zinc/10/96/59/1035109659.db2.gz CEOTUZSNRBAYAE-OAQYLSRUSA-N 1 3 399.579 3.984 20 0 GHADHO c1csc(CN2C[C@H]3C[NH+](C[C@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)c1 ZINC001208943889 1035113062 /nfs/dbraw/zinc/11/30/62/1035113062.db2.gz WFNMEPNXTONERI-BHDDXSALSA-N 1 3 381.589 3.634 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1 ZINC001232146558 1035124422 /nfs/dbraw/zinc/12/44/22/1035124422.db2.gz UDVBZGRDPAFRBQ-OPVJXMOQSA-N 1 3 391.531 3.622 20 0 GHADHO COC(=O)[C@H]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208962747 1035133022 /nfs/dbraw/zinc/13/30/22/1035133022.db2.gz LFHTZSQLQIADSK-PMVMPFDFSA-N 1 3 378.516 3.745 20 0 GHADHO COC(=O)[C@H]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208962747 1035133029 /nfs/dbraw/zinc/13/30/29/1035133029.db2.gz LFHTZSQLQIADSK-PMVMPFDFSA-N 1 3 378.516 3.745 20 0 GHADHO O=C([C@H]1CCC[C@@H](c2ccccc2)N1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161430828 1035229661 /nfs/dbraw/zinc/22/96/61/1035229661.db2.gz LGLGRZJUXGYTBT-XZOQPEGZSA-N 1 3 377.532 3.651 20 0 GHADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001161593432 1035267848 /nfs/dbraw/zinc/26/78/48/1035267848.db2.gz BKIVVTLFPXYWKL-JOCHJYFZSA-N 1 3 383.580 3.766 20 0 GHADHO Cc1ccc(CN2CCOC3(CCN(CCC[NH+]4CCCCC4)CC3)C2)cc1 ZINC001209449646 1035276996 /nfs/dbraw/zinc/27/69/96/1035276996.db2.gz BKSSXBYRRNZWSO-UHFFFAOYSA-N 1 3 385.596 3.538 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1csc(C)c1)CC2 ZINC001248801874 1036172722 /nfs/dbraw/zinc/17/27/22/1036172722.db2.gz KQDOIKNWBTWKPU-NRFANRHFSA-N 1 3 385.577 3.955 20 0 GHADHO CN1CCN(c2cccc(-c3ccc4ncn([C@H]5CCC[NH2+]CC5)c4c3)c2)CC1 ZINC001243667781 1036243695 /nfs/dbraw/zinc/24/36/95/1036243695.db2.gz CIOIMIWMFNDUGN-NRFANRHFSA-N 1 3 389.547 3.770 20 0 GHADHO O[C@@H](C[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1)C(c1ccccc1)c1ccccc1 ZINC001246031982 1037148970 /nfs/dbraw/zinc/14/89/70/1037148970.db2.gz XCZAGUOTUSJJCA-RPBOFIJWSA-N 1 3 398.550 3.868 20 0 GHADHO O[C@@H](C[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1)C(c1ccccc1)c1ccccc1 ZINC001246031982 1037148980 /nfs/dbraw/zinc/14/89/80/1037148980.db2.gz XCZAGUOTUSJJCA-RPBOFIJWSA-N 1 3 398.550 3.868 20 0 GHADHO O[C@@H](CN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC001246031982 1037148988 /nfs/dbraw/zinc/14/89/88/1037148988.db2.gz XCZAGUOTUSJJCA-RPBOFIJWSA-N 1 3 398.550 3.868 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([NH2+][C@@H]2CCN[C@@H]2C)CC1 ZINC001246100733 1037193882 /nfs/dbraw/zinc/19/38/82/1037193882.db2.gz HITJTCWOOUGQLN-ZIPRAHGXSA-N 1 3 397.357 3.548 20 0 GHADHO Cc1cccc2c1C1(C[C@@H]2N[C@@H](C)CS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC001246244615 1037251746 /nfs/dbraw/zinc/25/17/46/1037251746.db2.gz BLLQFUGLEANREJ-RXVVDRJESA-N 1 3 398.572 3.513 20 0 GHADHO Clc1cccc(CN2CC[C@H](N[C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)c1 ZINC001246360225 1037320947 /nfs/dbraw/zinc/32/09/47/1037320947.db2.gz GNWQBYRPAYIWAY-XPWALMASSA-N 1 3 383.967 3.867 20 0 GHADHO C[C@@H]1C[C@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246380831 1037338312 /nfs/dbraw/zinc/33/83/12/1037338312.db2.gz KSFRFMSLECFCSV-KNQAVFIVSA-N 1 3 381.539 3.743 20 0 GHADHO COC(=O)C1(C)CCC([NH2+]C2(Cc3ccccc3Cl)CCNCC2)CC1 ZINC001246381643 1037341244 /nfs/dbraw/zinc/34/12/44/1037341244.db2.gz REZQPGJTMSEUIP-UHFFFAOYSA-N 1 3 378.944 3.716 20 0 GHADHO OC(c1ccccc1)(c1ccccc1)[C@@H](Cc1ccccc1)NC1CC[NH2+]CC1 ZINC001246410381 1037364990 /nfs/dbraw/zinc/36/49/90/1037364990.db2.gz IZFSQTOQOGCCOD-RUZDIDTESA-N 1 3 386.539 3.875 20 0 GHADHO CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CCN1 ZINC001246410661 1037365898 /nfs/dbraw/zinc/36/58/98/1037365898.db2.gz ITRYDJRHBKWOJR-MOPGFXCFSA-N 1 3 395.385 3.909 20 0 GHADHO COc1ccccc1CC1([NH2+][C@H]2CCc3c(cccc3OC)C2)CCNCC1 ZINC001246426089 1037385148 /nfs/dbraw/zinc/38/51/48/1037385148.db2.gz OVWDYIOVFGRWNB-FQEVSTJZSA-N 1 3 380.532 3.516 20 0 GHADHO Brc1ccc(N2CCC(N3CCC[C@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246608631 1037503318 /nfs/dbraw/zinc/50/33/18/1037503318.db2.gz IAMNMCDURHEHGB-FQEVSTJZSA-N 1 3 392.385 3.884 20 0 GHADHO C[C@@H]1C[C@H](N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)CN1Cc1ccccc1 ZINC001246637139 1037524161 /nfs/dbraw/zinc/52/41/61/1037524161.db2.gz OQUJWCOBTMALDF-NZSAHSFTSA-N 1 3 381.486 3.798 20 0 GHADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+]([C@H]3CCN[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246677547 1037544209 /nfs/dbraw/zinc/54/42/09/1037544209.db2.gz VTMFRDDFVMNVLC-SAJDGTNDSA-N 1 3 396.554 3.964 20 0 GHADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+]([C@H]3CCN[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246677547 1037544225 /nfs/dbraw/zinc/54/42/25/1037544225.db2.gz VTMFRDDFVMNVLC-SAJDGTNDSA-N 1 3 396.554 3.964 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CCN1 ZINC001246756932 1037598961 /nfs/dbraw/zinc/59/89/61/1037598961.db2.gz UBNJKKLAMWPKPE-NCYKPQTJSA-N 1 3 378.564 3.969 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CCN1 ZINC001246756932 1037598975 /nfs/dbraw/zinc/59/89/75/1037598975.db2.gz UBNJKKLAMWPKPE-NCYKPQTJSA-N 1 3 378.564 3.969 20 0 GHADHO O=C1C[C@]2(CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1cccc(F)c1 ZINC001246759183 1037602086 /nfs/dbraw/zinc/60/20/86/1037602086.db2.gz QLWZOHGWXVPKOO-UNMCSNQZSA-N 1 3 385.527 3.709 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246807367 1037640791 /nfs/dbraw/zinc/64/07/91/1037640791.db2.gz QQIPNNZUSOWBKE-KSZLIROESA-N 1 3 380.374 3.562 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246812654 1037644391 /nfs/dbraw/zinc/64/43/91/1037644391.db2.gz VPGYHHGSXPCFEF-UTSGNWPNSA-N 1 3 381.564 3.553 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)CCN1 ZINC001246868302 1037686625 /nfs/dbraw/zinc/68/66/25/1037686625.db2.gz RTHJIZZGMJDWPK-QDSKXPNFSA-N 1 3 379.523 3.842 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCN3CCc4ccccc4[C@@H]3C2)CCN1 ZINC001246868302 1037686639 /nfs/dbraw/zinc/68/66/39/1037686639.db2.gz RTHJIZZGMJDWPK-QDSKXPNFSA-N 1 3 379.523 3.842 20 0 GHADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C1)C2 ZINC001246880769 1037694060 /nfs/dbraw/zinc/69/40/60/1037694060.db2.gz RUIPMLLIHBMHMN-PDSFRDGWSA-N 1 3 384.564 3.748 20 0 GHADHO c1ccc(C[C@H]2C[C@@H]([N@@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CCN2)cc1 ZINC001246910273 1037720007 /nfs/dbraw/zinc/72/00/07/1037720007.db2.gz KLULTRZVEOXQBC-ROHNOIKCSA-N 1 3 375.560 3.556 20 0 GHADHO c1ccc(C[C@H]2C[C@@H]([N@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CCN2)cc1 ZINC001246910273 1037720029 /nfs/dbraw/zinc/72/00/29/1037720029.db2.gz KLULTRZVEOXQBC-ROHNOIKCSA-N 1 3 375.560 3.556 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)N(Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001246935353 1037738872 /nfs/dbraw/zinc/73/88/72/1037738872.db2.gz HEHIIWXOGVSMMV-KRWDZBQOSA-N 1 3 384.495 3.798 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@H+](Cc2cccc(F)c2)C2CCNCC2)cc1 ZINC001246935353 1037738888 /nfs/dbraw/zinc/73/88/88/1037738888.db2.gz HEHIIWXOGVSMMV-KRWDZBQOSA-N 1 3 384.495 3.798 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2cccc(F)c2)C2CCNCC2)cc1 ZINC001246935353 1037738900 /nfs/dbraw/zinc/73/89/00/1037738900.db2.gz HEHIIWXOGVSMMV-KRWDZBQOSA-N 1 3 384.495 3.798 20 0 GHADHO COC(=O)CC1CCC([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246952427 1037754738 /nfs/dbraw/zinc/75/47/38/1037754738.db2.gz SCZBSBZSICDBMM-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)CC1CCC([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246952427 1037754755 /nfs/dbraw/zinc/75/47/55/1037754755.db2.gz SCZBSBZSICDBMM-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951577 1037756204 /nfs/dbraw/zinc/75/62/04/1037756204.db2.gz LZFVJMACMWPOOK-ICSRJNTNSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951577 1037756225 /nfs/dbraw/zinc/75/62/25/1037756225.db2.gz LZFVJMACMWPOOK-ICSRJNTNSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246957551 1037772024 /nfs/dbraw/zinc/77/20/24/1037772024.db2.gz BUMQBTXHZIEFJN-UTKZUKDTSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246957551 1037772048 /nfs/dbraw/zinc/77/20/48/1037772048.db2.gz BUMQBTXHZIEFJN-UTKZUKDTSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246987241 1037811722 /nfs/dbraw/zinc/81/17/22/1037811722.db2.gz FBUPQSHFMXYCNS-ZLNRFVROSA-N 1 3 378.516 3.973 20 0 GHADHO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246987241 1037811740 /nfs/dbraw/zinc/81/17/40/1037811740.db2.gz FBUPQSHFMXYCNS-ZLNRFVROSA-N 1 3 378.516 3.973 20 0 GHADHO CNc1ccccc1C[NH+]1CCC2(C[C@H](COC)N(Cc3ccccn3)C2)CC1 ZINC001232668573 1038466138 /nfs/dbraw/zinc/46/61/38/1038466138.db2.gz TYROCRRPOPRRRG-JOCHJYFZSA-N 1 3 394.563 3.626 20 0 GHADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC001462296823 1070153158 /nfs/dbraw/zinc/15/31/58/1070153158.db2.gz FZTTZJFLRMQJJS-VQTJNVASSA-N 1 3 375.557 3.628 20 0 GHADHO COC(=O)/C=C/c1ccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001233296632 1039087134 /nfs/dbraw/zinc/08/71/34/1039087134.db2.gz UWRNPGXRGCVGAQ-OUKQBFOZSA-N 1 3 378.516 3.969 20 0 GHADHO COC(=O)CC[C@H](CC1CCCCC1)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462378812 1070213282 /nfs/dbraw/zinc/21/32/82/1070213282.db2.gz FBVHVONHBVMWQX-WQMHRJNTSA-N 1 3 394.600 3.902 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352028 1039564640 /nfs/dbraw/zinc/56/46/40/1039564640.db2.gz UDIQZGGVELMLHQ-LEWJYISDSA-N 1 3 390.474 3.968 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352028 1039564655 /nfs/dbraw/zinc/56/46/55/1039564655.db2.gz UDIQZGGVELMLHQ-LEWJYISDSA-N 1 3 390.474 3.968 20 0 GHADHO OC1(C[N@@H+]2CCSC[C@H]2c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC001254038470 1039969153 /nfs/dbraw/zinc/96/91/53/1039969153.db2.gz ILRCVGRDPOHVSN-QFIPXVFZSA-N 1 3 382.573 3.804 20 0 GHADHO OC1(C[N@H+]2CCSC[C@H]2c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC001254038470 1039969163 /nfs/dbraw/zinc/96/91/63/1039969163.db2.gz ILRCVGRDPOHVSN-QFIPXVFZSA-N 1 3 382.573 3.804 20 0 GHADHO OC1(CN[C@@H](c2ccc(Cl)cn2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254055610 1039978514 /nfs/dbraw/zinc/97/85/14/1039978514.db2.gz WBDLCDBMTDZNFX-OAQYLSRUSA-N 1 3 385.939 3.803 20 0 GHADHO C[NH+]1CCC(C2CCN([C@H]3Cc4ccc(Br)cc4C3)CC2)CC1 ZINC001254281187 1040128329 /nfs/dbraw/zinc/12/83/29/1040128329.db2.gz MDROXVPDEYOBQV-FQEVSTJZSA-N 1 3 377.370 3.970 20 0 GHADHO CN1CCC[C@H]([NH2+]Cc2ccc(OC3CCOCC3)c(C(F)(F)F)c2)CC1 ZINC001254512167 1040290875 /nfs/dbraw/zinc/29/08/75/1040290875.db2.gz JMXJXUJCGSFBAJ-INIZCTEOSA-N 1 3 386.458 3.837 20 0 GHADHO C[N@@H+]1CCC[C@H](N(Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531738 1040303499 /nfs/dbraw/zinc/30/34/99/1040303499.db2.gz KWYXQXVPODXGLB-BJKOFHAPSA-N 1 3 391.559 3.774 20 0 GHADHO C[N@H+]1CCC[C@H](N(Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531738 1040303517 /nfs/dbraw/zinc/30/35/17/1040303517.db2.gz KWYXQXVPODXGLB-BJKOFHAPSA-N 1 3 391.559 3.774 20 0 GHADHO COc1ccc(CC2([NH3+])CCN(C3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC001254620216 1040391286 /nfs/dbraw/zinc/39/12/86/1040391286.db2.gz MWTRTPVORKUMOJ-UHFFFAOYSA-N 1 3 397.538 3.839 20 0 GHADHO CC(C)(C)C[NH+]1CCC(N[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254692191 1040450510 /nfs/dbraw/zinc/45/05/10/1040450510.db2.gz OPARXMAAVDDDOC-KRWDZBQOSA-N 1 3 397.629 3.582 20 0 GHADHO Ic1cccc(CN2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235151703 1040643202 /nfs/dbraw/zinc/64/32/02/1040643202.db2.gz AJRGERHGMWOHFL-KRWDZBQOSA-N 1 3 384.305 3.645 20 0 GHADHO CC(C)[NH+]1CCC(CN(C)Cc2cnc3cc(Br)ccn23)CC1 ZINC001235290800 1040761253 /nfs/dbraw/zinc/76/12/53/1040761253.db2.gz WZSGFCBFFQTZBN-UHFFFAOYSA-N 1 3 379.346 3.649 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255144485 1040856630 /nfs/dbraw/zinc/85/66/30/1040856630.db2.gz UFXIDKICWFOKSD-KBOSCXGNSA-N 1 3 395.591 3.905 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255144485 1040856652 /nfs/dbraw/zinc/85/66/52/1040856652.db2.gz UFXIDKICWFOKSD-KBOSCXGNSA-N 1 3 395.591 3.905 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255144489 1040857945 /nfs/dbraw/zinc/85/79/45/1040857945.db2.gz UFXIDKICWFOKSD-STAYPELNSA-N 1 3 395.591 3.905 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255144489 1040857958 /nfs/dbraw/zinc/85/79/58/1040857958.db2.gz UFXIDKICWFOKSD-STAYPELNSA-N 1 3 395.591 3.905 20 0 GHADHO Cc1ccnc(O[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)n1 ZINC001255149737 1040866387 /nfs/dbraw/zinc/86/63/87/1040866387.db2.gz MZZGCWJEDFJWNH-BJESRGMDSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1ccnc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)n1 ZINC001255149737 1040866400 /nfs/dbraw/zinc/86/64/00/1040866400.db2.gz MZZGCWJEDFJWNH-BJESRGMDSA-N 1 3 392.547 3.824 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)C1CCN(C3CCCCC3)CC1)C2 ZINC001255216893 1040910945 /nfs/dbraw/zinc/91/09/45/1040910945.db2.gz HZZNXFHTUNGVHI-AERCQKQUSA-N 1 3 377.573 3.867 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)C1CCN(C3CCCCC3)CC1)C2 ZINC001255216893 1040910947 /nfs/dbraw/zinc/91/09/47/1040910947.db2.gz HZZNXFHTUNGVHI-AERCQKQUSA-N 1 3 377.573 3.867 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H](N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001255349596 1040955549 /nfs/dbraw/zinc/95/55/49/1040955549.db2.gz LJCWEBYVGNWECZ-MJGOQNOKSA-N 1 3 378.944 3.798 20 0 GHADHO c1ccc(CN2CCC[C@@H]([NH2+]Cc3ccccc3CN3CCOCC3)CC2)cc1 ZINC001255381983 1040972764 /nfs/dbraw/zinc/97/27/64/1040972764.db2.gz AUCPJYJJGYINMH-RUZDIDTESA-N 1 3 393.575 3.663 20 0 GHADHO COC(=O)C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389666 1040978391 /nfs/dbraw/zinc/97/83/91/1040978391.db2.gz PDLGQKMDRVFPSF-UNMCSNQZSA-N 1 3 382.504 3.641 20 0 GHADHO Cc1ccc(CN(C)Cc2cc(Br)ccc2N2CC[NH2+]CC2)cc1 ZINC001235662908 1041113973 /nfs/dbraw/zinc/11/39/73/1041113973.db2.gz DSACKUTZMQJYBZ-UHFFFAOYSA-N 1 3 388.353 3.799 20 0 GHADHO Fc1ccc(F)c(O[C@@H]2CCN(Cc3cn4c5c3cccc5C[NH2+]CC4)C2)c1 ZINC001235687741 1041158802 /nfs/dbraw/zinc/15/88/02/1041158802.db2.gz IIIUMOLDAPYQKV-GOSISDBHSA-N 1 3 383.442 3.676 20 0 GHADHO Clc1ccc(CN2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)c(Cl)c1 ZINC001235690568 1041163739 /nfs/dbraw/zinc/16/37/39/1041163739.db2.gz IKDJPGHCGOPNAE-UHFFFAOYSA-N 1 3 382.379 3.891 20 0 GHADHO COc1cccc(OC)c1CN1CCC(n2c(CC[NH3+])cc3ccccc32)CC1 ZINC001255928494 1041417051 /nfs/dbraw/zinc/41/70/51/1041417051.db2.gz SMOQNRQPEKNCSL-UHFFFAOYSA-N 1 3 393.531 3.997 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCN(Cc2cccc(Br)c2)C1 ZINC001255953372 1041433707 /nfs/dbraw/zinc/43/37/07/1041433707.db2.gz JRFWIIKAZPZNTK-APWZRJJASA-N 1 3 382.390 3.733 20 0 GHADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235937437 1041443588 /nfs/dbraw/zinc/44/35/88/1041443588.db2.gz RQXVLMQHERKEHA-WXFUMESZSA-N 1 3 381.539 3.711 20 0 GHADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235937437 1041443605 /nfs/dbraw/zinc/44/36/05/1041443605.db2.gz RQXVLMQHERKEHA-WXFUMESZSA-N 1 3 381.539 3.711 20 0 GHADHO FC(F)(F)c1ccc2c(c1)C1(CO2)CCN(Cc2ccc3n2CC[NH2+]C3)CC1 ZINC001236004596 1041496975 /nfs/dbraw/zinc/49/69/75/1041496975.db2.gz GCLPTSMSSKUMNR-UHFFFAOYSA-N 1 3 391.437 3.536 20 0 GHADHO CC(C)(C)c1cc(CN2CCC[C@H](N3CC(C[NH3+])C3)C2)cc(C(C)(C)C)c1O ZINC001236078721 1041524780 /nfs/dbraw/zinc/52/47/80/1041524780.db2.gz JFFOHUKUCXNITE-IBGZPJMESA-N 1 3 387.612 3.842 20 0 GHADHO Cc1cc(CN2CCC[C@@H](N3CC(C[NH3+])C3)C2)ccc1Oc1ccc(F)cc1 ZINC001236082758 1041525666 /nfs/dbraw/zinc/52/56/66/1041525666.db2.gz NHTMQUQVLYAOTR-OAQYLSRUSA-N 1 3 383.511 3.781 20 0 GHADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC001236080993 1041526356 /nfs/dbraw/zinc/52/63/56/1041526356.db2.gz JSMDMZMLJDWCCB-UHFFFAOYSA-N 1 3 383.483 3.771 20 0 GHADHO CCN(Cc1cccs1)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001236088336 1041528391 /nfs/dbraw/zinc/52/83/91/1041528391.db2.gz FAVZMCLQWQMRSZ-UHFFFAOYSA-N 1 3 394.382 3.942 20 0 GHADHO CCOC(=O)CCCCCC[N@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236439430 1041711840 /nfs/dbraw/zinc/71/18/40/1041711840.db2.gz FSRHDCOIAXBTTA-UHFFFAOYSA-N 1 3 376.541 3.763 20 0 GHADHO CCOC(=O)CCCCCC[N@@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236439430 1041711848 /nfs/dbraw/zinc/71/18/48/1041711848.db2.gz FSRHDCOIAXBTTA-UHFFFAOYSA-N 1 3 376.541 3.763 20 0 GHADHO CCOC(=O)CCCCCCN(Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236439430 1041711855 /nfs/dbraw/zinc/71/18/55/1041711855.db2.gz FSRHDCOIAXBTTA-UHFFFAOYSA-N 1 3 376.541 3.763 20 0 GHADHO N[C@@H]1CC[N@@H+](C2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)CC2)C1 ZINC001236621294 1041788021 /nfs/dbraw/zinc/78/80/21/1041788021.db2.gz KLHWPRYKNCRSEQ-HXUWFJFHSA-N 1 3 399.966 3.916 20 0 GHADHO N[C@@H]1CC[N@H+](C2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)CC2)C1 ZINC001236621294 1041788026 /nfs/dbraw/zinc/78/80/26/1041788026.db2.gz KLHWPRYKNCRSEQ-HXUWFJFHSA-N 1 3 399.966 3.916 20 0 GHADHO COCCCOc1ccc(CN2CCC(CC3CC[NH2+]CC3)CC2)cc1OC ZINC001236961710 1041970392 /nfs/dbraw/zinc/97/03/92/1041970392.db2.gz MVIKRPVXNFHFKL-UHFFFAOYSA-N 1 3 390.568 3.712 20 0 GHADHO CCOC(=O)[C@@H]1CN(Cc2sc(Cl)c3ccccc32)CCC12C[NH2+]C2 ZINC001237436035 1042206973 /nfs/dbraw/zinc/20/69/73/1042206973.db2.gz NIGVJCSWCMPZPY-HNNXBMFYSA-N 1 3 378.925 3.529 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccc3c1OCC3)CC2 ZINC001237748252 1042352474 /nfs/dbraw/zinc/35/24/74/1042352474.db2.gz RPPOAKHEYKJTIM-QHCPKHFHSA-N 1 3 392.543 3.877 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccc3c1OCC3)CC2 ZINC001237748252 1042352480 /nfs/dbraw/zinc/35/24/80/1042352480.db2.gz RPPOAKHEYKJTIM-QHCPKHFHSA-N 1 3 392.543 3.877 20 0 GHADHO COc1c(C)cnc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176041 1042509429 /nfs/dbraw/zinc/50/94/29/1042509429.db2.gz KLMSAVIXWJYBRB-RRPUWOKSSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176041 1042509433 /nfs/dbraw/zinc/50/94/33/1042509433.db2.gz KLMSAVIXWJYBRB-RRPUWOKSSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176041 1042509435 /nfs/dbraw/zinc/50/94/35/1042509435.db2.gz KLMSAVIXWJYBRB-RRPUWOKSSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176041 1042509441 /nfs/dbraw/zinc/50/94/41/1042509441.db2.gz KLMSAVIXWJYBRB-RRPUWOKSSA-N 1 3 394.563 3.835 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001238640983 1042666830 /nfs/dbraw/zinc/66/68/30/1042666830.db2.gz RWZOLUQJIIABNN-MJGOQNOKSA-N 1 3 384.495 3.893 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001238640983 1042666831 /nfs/dbraw/zinc/66/68/31/1042666831.db2.gz RWZOLUQJIIABNN-MJGOQNOKSA-N 1 3 384.495 3.893 20 0 GHADHO COc1ccc2c(c1)c(CC[NH3+])c(C)n2C1CCN(Cc2ccncc2)CC1 ZINC001256582190 1043552728 /nfs/dbraw/zinc/55/27/28/1043552728.db2.gz LBFOIEDLYLMUJN-UHFFFAOYSA-N 1 3 378.520 3.692 20 0 GHADHO c1ccc2c(c1)nc(C1CC[NH2+]CC1)n2C1CCN(Cc2ccncc2)CC1 ZINC001256587480 1043556376 /nfs/dbraw/zinc/55/63/76/1043556376.db2.gz IHIKPDLBOKDRPX-UHFFFAOYSA-N 1 3 375.520 3.735 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808110 1043664760 /nfs/dbraw/zinc/66/47/60/1043664760.db2.gz DSMDISNRPOJEQJ-JLLPCOHGSA-N 1 3 384.564 3.587 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808110 1043664767 /nfs/dbraw/zinc/66/47/67/1043664767.db2.gz DSMDISNRPOJEQJ-JLLPCOHGSA-N 1 3 384.564 3.587 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCCCN2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856857 1043704771 /nfs/dbraw/zinc/70/47/71/1043704771.db2.gz MIAYXEJQDLFHCA-UHFFFAOYSA-N 1 3 386.540 3.526 20 0 GHADHO [NH3+]C1(CC2CC2)CCN(C2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001256882322 1043719504 /nfs/dbraw/zinc/71/95/04/1043719504.db2.gz AABIDTSGDXDROL-UHFFFAOYSA-N 1 3 382.474 3.663 20 0 GHADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001257034872 1043811953 /nfs/dbraw/zinc/81/19/53/1043811953.db2.gz BIQSDYWZQQKUAS-AZUAARDMSA-N 1 3 378.944 3.873 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[NH2+]CC2CCN(Cc3ccccn3)CC2)cc1 ZINC001257153438 1043901834 /nfs/dbraw/zinc/90/18/34/1043901834.db2.gz LXYTXJLBYMKDEQ-IBGZPJMESA-N 1 3 395.547 3.691 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257646296 1044098198 /nfs/dbraw/zinc/09/81/98/1044098198.db2.gz IARZOAIBHLXRLE-CMKODMSKSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257646296 1044098214 /nfs/dbraw/zinc/09/82/14/1044098214.db2.gz IARZOAIBHLXRLE-CMKODMSKSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@@H](C[NH3+])CN(Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257646296 1044098230 /nfs/dbraw/zinc/09/82/30/1044098230.db2.gz IARZOAIBHLXRLE-CMKODMSKSA-N 1 3 375.557 3.871 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001258010450 1044336907 /nfs/dbraw/zinc/33/69/07/1044336907.db2.gz APNOCQPSYNGWEJ-QFIPXVFZSA-N 1 3 379.589 3.830 20 0 GHADHO CC(C)CN1CCC([N@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001258010450 1044336920 /nfs/dbraw/zinc/33/69/20/1044336920.db2.gz APNOCQPSYNGWEJ-QFIPXVFZSA-N 1 3 379.589 3.830 20 0 GHADHO c1ccc(CCN2CCC([NH2+][C@@H](Cc3ccccc3)CN3CCCC3)CC2)cc1 ZINC001258136807 1044421214 /nfs/dbraw/zinc/42/12/14/1044421214.db2.gz ULCKBDLEUJPXCD-SANMLTNESA-N 1 3 391.603 3.990 20 0 GHADHO c1csc(CN2C[C@@H]3C[NH+](C4CCN(CCc5ccccc5)CC4)C[C@H]3C2)c1 ZINC001258141826 1044427092 /nfs/dbraw/zinc/42/70/92/1044427092.db2.gz DJMJTODJMUYDPB-FGZHOGPDSA-N 1 3 395.616 3.819 20 0 GHADHO CCOC(=O)CC1(N)CC[NH+]([C@@H](C)CC(C)(C)SCc2ccco2)CC1 ZINC001258304170 1044499171 /nfs/dbraw/zinc/49/91/71/1044499171.db2.gz GASKFNNNXNNFPX-INIZCTEOSA-N 1 3 382.570 3.817 20 0 GHADHO [NH3+]C1(Cc2ccccc2F)CCN(C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258416361 1044549944 /nfs/dbraw/zinc/54/99/44/1044549944.db2.gz DFEIULIDDLNLAP-UHFFFAOYSA-N 1 3 385.502 3.970 20 0 GHADHO C[NH+](C)CC[C@H](N[C@H]1CCC(=O)N(Cc2ccccc2)CC1)c1ccccc1 ZINC001258567972 1044645571 /nfs/dbraw/zinc/64/55/71/1044645571.db2.gz IGLXSMBRLPRCTD-GOTSBHOMSA-N 1 3 379.548 3.850 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001258909524 1044864557 /nfs/dbraw/zinc/86/45/57/1044864557.db2.gz GILVOHMMGRRDIC-LJQANCHMSA-N 1 3 397.604 3.599 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC001296000635 1045217357 /nfs/dbraw/zinc/21/73/57/1045217357.db2.gz ZNUJQKZIOIMEDQ-OALUTQOASA-N 1 3 390.620 3.583 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001296046566 1045232797 /nfs/dbraw/zinc/23/27/97/1045232797.db2.gz UMZRXSOQPBHAEC-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001296046566 1045232806 /nfs/dbraw/zinc/23/28/06/1045232806.db2.gz UMZRXSOQPBHAEC-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC001302063988 1046798508 /nfs/dbraw/zinc/79/85/08/1046798508.db2.gz ROJNBPLQCDOULK-FQEVSTJZSA-N 1 3 385.596 3.662 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001264746311 1047425337 /nfs/dbraw/zinc/42/53/37/1047425337.db2.gz NMFLMTMVYRPLEE-JOCHJYFZSA-N 1 3 375.532 3.866 20 0 GHADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ccc(Cl)s4)C[C@H]3CC2)[nH]1 ZINC001279334081 1047771807 /nfs/dbraw/zinc/77/18/07/1047771807.db2.gz BAWRCMBHOQUKNX-GASCZTMLSA-N 1 3 377.941 3.846 20 0 GHADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4ccc(Cl)s4)C[C@H]3CC2)[nH]1 ZINC001279334081 1047771812 /nfs/dbraw/zinc/77/18/12/1047771812.db2.gz BAWRCMBHOQUKNX-GASCZTMLSA-N 1 3 377.941 3.846 20 0 GHADHO CSc1ccc(OC[C@@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC001307411773 1049254238 /nfs/dbraw/zinc/25/42/38/1049254238.db2.gz GPMQRMXZVJOLKP-FQEVSTJZSA-N 1 3 392.609 3.736 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855315 1049637503 /nfs/dbraw/zinc/63/75/03/1049637503.db2.gz RLSZDIPEAQHGIH-FGZHOGPDSA-N 1 3 379.548 3.674 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855315 1049637509 /nfs/dbraw/zinc/63/75/09/1049637509.db2.gz RLSZDIPEAQHGIH-FGZHOGPDSA-N 1 3 379.548 3.674 20 0 GHADHO c1cn([C@@H]2CCCN(CCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)nn1 ZINC001307967250 1049728965 /nfs/dbraw/zinc/72/89/65/1049728965.db2.gz BUYKXUCNOOAYMT-HSZRJFAPSA-N 1 3 381.568 3.650 20 0 GHADHO CC[NH+]1CCC(CCNCc2cccc(F)c2I)CC1 ZINC001308290434 1049939529 /nfs/dbraw/zinc/93/95/29/1049939529.db2.gz SEVWGNGZTUTPHS-UHFFFAOYSA-N 1 3 390.284 3.642 20 0 GHADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCCCCCC[NH+]1CCCC1 ZINC001290856625 1049939571 /nfs/dbraw/zinc/93/95/71/1049939571.db2.gz HFUODVTYVBOYRW-UHFFFAOYSA-N 1 3 390.620 3.553 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)CCN(Cc2ccccc2)C1 ZINC001308565843 1050011961 /nfs/dbraw/zinc/01/19/61/1050011961.db2.gz UHCXPKWBBAGUMF-UKILVPOCSA-N 1 3 399.623 3.579 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)CCN(Cc2ccccc2)C1 ZINC001308565843 1050011967 /nfs/dbraw/zinc/01/19/67/1050011967.db2.gz UHCXPKWBBAGUMF-UKILVPOCSA-N 1 3 399.623 3.579 20 0 GHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001308629241 1050039813 /nfs/dbraw/zinc/03/98/13/1050039813.db2.gz OGZSFQBKJKJFHK-FQEVSTJZSA-N 1 3 387.568 3.745 20 0 GHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001308629241 1050039818 /nfs/dbraw/zinc/03/98/18/1050039818.db2.gz OGZSFQBKJKJFHK-FQEVSTJZSA-N 1 3 387.568 3.745 20 0 GHADHO COCCN(Cc1ccc(Oc2ccc(F)cc2)nc1)CC1CC[NH+](C)CC1 ZINC001308894508 1050144689 /nfs/dbraw/zinc/14/46/89/1050144689.db2.gz GGFGEIXTTUFGMI-UHFFFAOYSA-N 1 3 387.499 3.803 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC001308896590 1050145730 /nfs/dbraw/zinc/14/57/30/1050145730.db2.gz CJBBNXHWZLKVOS-UYAOXDASSA-N 1 3 399.579 3.744 20 0 GHADHO COc1cccc2cc(CNC(=[NH2+])NC3CCN(Cc4ccccc4)CC3)oc21 ZINC001329225118 1050750020 /nfs/dbraw/zinc/75/00/20/1050750020.db2.gz COEQVBJBAATVPX-UHFFFAOYSA-N 1 3 392.503 3.720 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CN1Cc1ccccc1 ZINC001311436190 1052145663 /nfs/dbraw/zinc/14/56/63/1052145663.db2.gz KWIDUPFJMNEXPR-TZIWHRDSSA-N 1 3 386.584 3.603 20 0 GHADHO CC(C)(C)CCN1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001312168551 1052612733 /nfs/dbraw/zinc/61/27/33/1052612733.db2.gz GAHIVTZFZYWTPL-UHFFFAOYSA-N 1 3 378.605 3.547 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)CC2)CC1 ZINC001312641903 1052821488 /nfs/dbraw/zinc/82/14/88/1052821488.db2.gz PYOVVSMGRAJHBB-XVAXZDLZSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)CC2)CC1 ZINC001312641903 1052821491 /nfs/dbraw/zinc/82/14/91/1052821491.db2.gz PYOVVSMGRAJHBB-XVAXZDLZSA-N 1 3 392.632 3.649 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC001312642260 1052821831 /nfs/dbraw/zinc/82/18/31/1052821831.db2.gz YARMZIJLHTYYHG-CTNGQTDRSA-N 1 3 392.632 3.793 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC001312642260 1052821835 /nfs/dbraw/zinc/82/18/35/1052821835.db2.gz YARMZIJLHTYYHG-CTNGQTDRSA-N 1 3 392.632 3.793 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC001313186815 1052980777 /nfs/dbraw/zinc/98/07/77/1052980777.db2.gz PNYBZAKRXRFJNX-JOCHJYFZSA-N 1 3 398.595 3.619 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccccc2N2CCN(C)CC2)CC1 ZINC001319288599 1055158440 /nfs/dbraw/zinc/15/84/40/1055158440.db2.gz CVYXWZAEDTUSCZ-NFBKMPQASA-N 1 3 384.612 3.571 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(OC(F)F)cc1 ZINC001322643098 1056781300 /nfs/dbraw/zinc/78/13/00/1056781300.db2.gz LKFHJKCPHZQYGK-KRWDZBQOSA-N 1 3 389.490 3.886 20 0 GHADHO Cc1nn(C)c2ncc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cc12 ZINC001324785947 1057226218 /nfs/dbraw/zinc/22/62/18/1057226218.db2.gz RMFHHDAVYNWJSX-FRIKZZABSA-N 1 3 389.547 3.952 20 0 GHADHO CCCCCn1cc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000849050597 1057559365 /nfs/dbraw/zinc/55/93/65/1057559365.db2.gz ZBESENDQZIKXCK-UHFFFAOYSA-N 1 3 396.583 3.660 20 0 GHADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC001338806015 1058797095 /nfs/dbraw/zinc/79/70/95/1058797095.db2.gz GAHPSXNSDPYQKA-HSZRJFAPSA-N 1 3 383.580 3.826 20 0 GHADHO CC[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC001459798640 1064222070 /nfs/dbraw/zinc/22/20/70/1064222070.db2.gz OPLHLVVTCVWPRU-JOCHJYFZSA-N 1 3 383.511 3.779 20 0 GHADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001464637686 1065127746 /nfs/dbraw/zinc/12/77/46/1065127746.db2.gz REGFUNACMCLMAT-OAHLLOKOSA-N 1 3 387.490 3.762 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)N(C)C)cc1 ZINC001468351150 1067699021 /nfs/dbraw/zinc/69/90/21/1067699021.db2.gz MTYHPSOOWGDYFT-VXKWHMMOSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)N(C)C)cc1 ZINC001468351150 1067699023 /nfs/dbraw/zinc/69/90/23/1067699023.db2.gz MTYHPSOOWGDYFT-VXKWHMMOSA-N 1 3 386.584 3.694 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001477927050 1078631737 /nfs/dbraw/zinc/63/17/37/1078631737.db2.gz KJUPDIVNFPAKOO-VXKWHMMOSA-N 1 3 386.584 3.777 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001477927050 1078631742 /nfs/dbraw/zinc/63/17/42/1078631742.db2.gz KJUPDIVNFPAKOO-VXKWHMMOSA-N 1 3 386.584 3.777 20 0 GHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN(C2CCCCC2)CC1)[NH+](C)C ZINC001470094539 1068569717 /nfs/dbraw/zinc/56/97/17/1068569717.db2.gz LMZJWZOUOWIFHI-UGKGYDQZSA-N 1 3 386.584 3.646 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514793 1068983817 /nfs/dbraw/zinc/98/38/17/1068983817.db2.gz PMWGSMWRSKULHY-FCHUYYIVSA-N 1 3 387.568 3.724 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514793 1068983820 /nfs/dbraw/zinc/98/38/20/1068983820.db2.gz PMWGSMWRSKULHY-FCHUYYIVSA-N 1 3 387.568 3.724 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514800 1068983947 /nfs/dbraw/zinc/98/39/47/1068983947.db2.gz PMWGSMWRSKULHY-YADHBBJMSA-N 1 3 387.568 3.724 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514800 1068983949 /nfs/dbraw/zinc/98/39/49/1068983949.db2.gz PMWGSMWRSKULHY-YADHBBJMSA-N 1 3 387.568 3.724 20 0 GHADHO CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](CC)CC)[C@H]1CCN(C)C1 ZINC001478734334 1078970108 /nfs/dbraw/zinc/97/01/08/1078970108.db2.gz AWJDZKGNAAGZDD-VXKWHMMOSA-N 1 3 388.600 3.758 20 0 GHADHO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001479002041 1079059359 /nfs/dbraw/zinc/05/93/59/1079059359.db2.gz XGJVOFVYGAFVBO-FYYLOGMGSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001479002041 1079059362 /nfs/dbraw/zinc/05/93/62/1079059362.db2.gz XGJVOFVYGAFVBO-FYYLOGMGSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001479002042 1079059625 /nfs/dbraw/zinc/05/96/25/1079059625.db2.gz XGJVOFVYGAFVBO-GGAORHGYSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001479002042 1079059629 /nfs/dbraw/zinc/05/96/29/1079059629.db2.gz XGJVOFVYGAFVBO-GGAORHGYSA-N 1 3 398.595 3.699 20 0 GHADHO COC(=O)c1cnc([C@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)s1 ZINC001473844779 1074171326 /nfs/dbraw/zinc/17/13/26/1074171326.db2.gz AUOJHDIASZVFSD-IBGZPJMESA-N 1 3 399.560 3.905 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)cc2)CC1 ZINC001473936443 1074211135 /nfs/dbraw/zinc/21/11/35/1074211135.db2.gz UXHVYVPTBYZRHF-ONEGZZNKSA-N 1 3 385.502 3.905 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001474067595 1074252658 /nfs/dbraw/zinc/25/26/58/1074252658.db2.gz AOKIKGMLUNKUTG-IRXDYDNUSA-N 1 3 376.850 3.826 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(F)c2cccnc12 ZINC001474084299 1074258226 /nfs/dbraw/zinc/25/82/26/1074258226.db2.gz GVUOVVBFTXVWBA-HXUWFJFHSA-N 1 3 379.479 3.620 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(F)c2cccnc12 ZINC001474084299 1074258227 /nfs/dbraw/zinc/25/82/27/1074258227.db2.gz GVUOVVBFTXVWBA-HXUWFJFHSA-N 1 3 379.479 3.620 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC001474317477 1074339030 /nfs/dbraw/zinc/33/90/30/1074339030.db2.gz GWHQRQFRTYHXDK-YLJYHZDGSA-N 1 3 375.557 3.873 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC001474317477 1074339037 /nfs/dbraw/zinc/33/90/37/1074339037.db2.gz GWHQRQFRTYHXDK-YLJYHZDGSA-N 1 3 375.557 3.873 20 0 GHADHO CN(C)Cc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c2c1OC(F)(F)O2 ZINC001474672332 1074508355 /nfs/dbraw/zinc/50/83/55/1074508355.db2.gz CPCUOAHGRPAEBG-SFHVURJKSA-N 1 3 396.478 3.993 20 0 GHADHO CN(C)Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c2c1OC(F)(F)O2 ZINC001474672332 1074508362 /nfs/dbraw/zinc/50/83/62/1074508362.db2.gz CPCUOAHGRPAEBG-SFHVURJKSA-N 1 3 396.478 3.993 20 0 GHADHO CCN(CC)[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000471406520 837604454 /nfs/dbraw/zinc/60/44/54/837604454.db2.gz UIOAZJKVTWJWQM-OAQYLSRUSA-N 1 3 385.577 3.696 20 0 GHADHO CCN(CC)[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000471406520 837604462 /nfs/dbraw/zinc/60/44/62/837604462.db2.gz UIOAZJKVTWJWQM-OAQYLSRUSA-N 1 3 385.577 3.696 20 0 GHADHO CC1CCN([C@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c2cccs2)CC1 ZINC000655684664 837668240 /nfs/dbraw/zinc/66/82/40/837668240.db2.gz UJLQJAJSCWKQCM-LEWJYISDSA-N 1 3 391.625 3.754 20 0 GHADHO C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696704 837688179 /nfs/dbraw/zinc/68/81/79/837688179.db2.gz JLYKBVLOHBAEGW-DVECYGJZSA-N 1 3 395.547 3.955 20 0 GHADHO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000625327512 837740615 /nfs/dbraw/zinc/74/06/15/837740615.db2.gz YNTCCJCCDHOMCD-YRWFTTLQSA-N 1 3 399.501 3.534 20 0 GHADHO CCCOc1c(Cl)cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650705548 834524468 /nfs/dbraw/zinc/52/44/68/834524468.db2.gz LCSILVHJHRYOMM-SCTDSRPQSA-N 1 3 396.959 3.856 20 0 GHADHO C[C@H]1C[N@H+](CCOc2ccc(CCN[C@H]3CCCn4ccnc43)cc2)C[C@H]1C ZINC000655739038 837785576 /nfs/dbraw/zinc/78/55/76/837785576.db2.gz USTRBVFWDLWPSB-JQVVWYNYSA-N 1 3 382.552 3.517 20 0 GHADHO C[C@H]1C[N@@H+](CCOc2ccc(CCN[C@H]3CCCn4ccnc43)cc2)C[C@H]1C ZINC000655739038 837785582 /nfs/dbraw/zinc/78/55/82/837785582.db2.gz USTRBVFWDLWPSB-JQVVWYNYSA-N 1 3 382.552 3.517 20 0 GHADHO C[C@@H]1C[NH+](CCOc2ccc(CCN[C@H]3CCCn4ccnc43)cc2)C[C@H]1C ZINC000655739039 837785913 /nfs/dbraw/zinc/78/59/13/837785913.db2.gz USTRBVFWDLWPSB-KNKQGSTJSA-N 1 3 382.552 3.517 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000583572468 834665781 /nfs/dbraw/zinc/66/57/81/834665781.db2.gz JYQMYUZZRZDTBR-HROJSSOGSA-N 1 3 389.543 3.785 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000583654258 834810096 /nfs/dbraw/zinc/81/00/96/834810096.db2.gz FAQOWLHFRFDQKH-JOCHJYFZSA-N 1 3 383.511 3.844 20 0 GHADHO CN(C)C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000583654259 834810484 /nfs/dbraw/zinc/81/04/84/834810484.db2.gz FAQOWLHFRFDQKH-QFIPXVFZSA-N 1 3 383.511 3.844 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCc4c(F)cccc43)CC2)CC1 ZINC000655119114 835183494 /nfs/dbraw/zinc/18/34/94/835183494.db2.gz HOZIAQJLAOGOJJ-JOCHJYFZSA-N 1 3 387.543 3.516 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(-n2ccnc2)c1 ZINC000583886753 835196595 /nfs/dbraw/zinc/19/65/95/835196595.db2.gz ALVKUJQTRFODKD-HYBUGGRVSA-N 1 3 390.531 3.814 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(-n2ccnc2)c1 ZINC000583886753 835196599 /nfs/dbraw/zinc/19/65/99/835196599.db2.gz ALVKUJQTRFODKD-HYBUGGRVSA-N 1 3 390.531 3.814 20 0 GHADHO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000657970504 835327306 /nfs/dbraw/zinc/32/73/06/835327306.db2.gz FAVSLVXQDVVIGY-UEQSERJNSA-N 1 3 386.580 3.708 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000658164168 835479711 /nfs/dbraw/zinc/47/97/11/835479711.db2.gz CCLPIMKBRHHJTR-KRWDZBQOSA-N 1 3 378.520 3.529 20 0 GHADHO COc1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc(OC)c1OC ZINC000658166108 835481198 /nfs/dbraw/zinc/48/11/98/835481198.db2.gz MLWHSSVHSHNWBY-QGZVFWFLSA-N 1 3 399.535 3.670 20 0 GHADHO COc1cccc(C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)c1 ZINC000658166323 835482027 /nfs/dbraw/zinc/48/20/27/835482027.db2.gz NSQFUOMFBAIEAX-XMMPIXPASA-N 1 3 379.548 3.913 20 0 GHADHO OC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC(F)(F)CC1 ZINC000658321602 835573955 /nfs/dbraw/zinc/57/39/55/835573955.db2.gz RAGTWEUHJZCCBH-HSALFYBXSA-N 1 3 378.507 3.817 20 0 GHADHO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000274830766 835669821 /nfs/dbraw/zinc/66/98/21/835669821.db2.gz MFIYLWDNIGXZKH-DENIHFKCSA-N 1 3 379.548 3.996 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000109311158 835797288 /nfs/dbraw/zinc/79/72/88/835797288.db2.gz CZXAHURVIKCSNN-XZOQPEGZSA-N 1 3 379.548 3.626 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000109311158 835797295 /nfs/dbraw/zinc/79/72/95/835797295.db2.gz CZXAHURVIKCSNN-XZOQPEGZSA-N 1 3 379.548 3.626 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)ccc1OC ZINC000375934475 836249859 /nfs/dbraw/zinc/24/98/59/836249859.db2.gz SHLORXIUTPBPLB-GOSISDBHSA-N 1 3 397.567 3.647 20 0 GHADHO C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483518 844154335 /nfs/dbraw/zinc/15/43/35/844154335.db2.gz BSENCGMYQNBULP-RBBKRZOGSA-N 1 3 387.637 3.848 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483717 844154555 /nfs/dbraw/zinc/15/45/55/844154555.db2.gz WFHZNZFAIKBUIO-KNQAVFIVSA-N 1 3 377.532 3.814 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000414294913 836948300 /nfs/dbraw/zinc/94/83/00/836948300.db2.gz CJHACHOLIACGGF-LJQANCHMSA-N 1 3 375.516 3.913 20 0 GHADHO C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000414294913 836948312 /nfs/dbraw/zinc/94/83/12/836948312.db2.gz CJHACHOLIACGGF-LJQANCHMSA-N 1 3 375.516 3.913 20 0 GHADHO CC1CC[NH+](CCCCN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC1 ZINC000511397870 836986504 /nfs/dbraw/zinc/98/65/04/836986504.db2.gz MTHCPAJZKBGKDZ-FCHUYYIVSA-N 1 3 394.003 3.813 20 0 GHADHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000414308949 837027164 /nfs/dbraw/zinc/02/71/64/837027164.db2.gz QVWWQRWGWYECCA-HNNXBMFYSA-N 1 3 378.438 3.782 20 0 GHADHO Cc1c(Br)cccc1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000655821767 837982462 /nfs/dbraw/zinc/98/24/62/837982462.db2.gz HPUQKRQHNUFAJH-UHFFFAOYSA-N 1 3 377.326 3.988 20 0 GHADHO CC[NH+](CC)CCOc1cc(NC(=O)C[C@@H]2NCc3ccccc32)ccc1OC ZINC000659286670 838203377 /nfs/dbraw/zinc/20/33/77/838203377.db2.gz OCIUNQLZZCGQIL-FQEVSTJZSA-N 1 3 397.519 3.589 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C(C)(C)C)C[C@H]3C)CC2)CC1 ZINC000579976664 838240404 /nfs/dbraw/zinc/24/04/04/838240404.db2.gz NPLBCAAJPOPPEQ-QUCCMNQESA-N 1 3 377.617 3.856 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)c1 ZINC000415933867 838282023 /nfs/dbraw/zinc/28/20/23/838282023.db2.gz OXKZSRJYWLEUFV-FQEVSTJZSA-N 1 3 386.565 3.942 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000415999805 838377308 /nfs/dbraw/zinc/37/73/08/838377308.db2.gz VZZPJIUDRLFBHE-VGOFRKELSA-N 1 3 378.520 3.807 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000415999805 838377319 /nfs/dbraw/zinc/37/73/19/838377319.db2.gz VZZPJIUDRLFBHE-VGOFRKELSA-N 1 3 378.520 3.807 20 0 GHADHO CN(CCN(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000653123451 838514887 /nfs/dbraw/zinc/51/48/87/838514887.db2.gz ZAGOHCKOVOLOJS-QHCPKHFHSA-N 1 3 379.548 3.537 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000377132573 839027554 /nfs/dbraw/zinc/02/75/54/839027554.db2.gz XUPWNNMCZQRVRF-HTUFRPJOSA-N 1 3 384.564 3.605 20 0 GHADHO O=C(CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000580298159 839208273 /nfs/dbraw/zinc/20/82/73/839208273.db2.gz PBBPZOMMJDTCGV-VQTJNVASSA-N 1 3 381.495 3.608 20 0 GHADHO O=C(CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000580298159 839208284 /nfs/dbraw/zinc/20/82/84/839208284.db2.gz PBBPZOMMJDTCGV-VQTJNVASSA-N 1 3 381.495 3.608 20 0 GHADHO CCCOc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415118304 839230032 /nfs/dbraw/zinc/23/00/32/839230032.db2.gz CYWOFSWVFVCTGJ-TZIWHRDSSA-N 1 3 376.541 3.592 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127317 839234697 /nfs/dbraw/zinc/23/46/97/839234697.db2.gz QYJIWUNPTWJZNT-CTNGQTDRSA-N 1 3 376.541 3.592 20 0 GHADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000415137142 839262311 /nfs/dbraw/zinc/26/23/11/839262311.db2.gz XTTALYQCYMAAFD-UPVQGACJSA-N 1 3 380.532 3.984 20 0 GHADHO CCN(C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418482371 840301187 /nfs/dbraw/zinc/30/11/87/840301187.db2.gz FAUSMHDWYZAISS-PGRDOPGGSA-N 1 3 380.536 3.512 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c2ccccc2)CC1 ZINC000417209572 840599267 /nfs/dbraw/zinc/59/92/67/840599267.db2.gz CFJLRUNQMFUVPA-PKTZIBPZSA-N 1 3 398.595 3.633 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)CC2)CC1 ZINC000581139989 840777578 /nfs/dbraw/zinc/77/75/78/840777578.db2.gz IXVMONNKIUKDQX-QHCPKHFHSA-N 1 3 383.580 3.759 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000544143135 840947183 /nfs/dbraw/zinc/94/71/83/840947183.db2.gz YQGYTMVQYLFDOL-SJLPKXTDSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000544143135 840947186 /nfs/dbraw/zinc/94/71/86/840947186.db2.gz YQGYTMVQYLFDOL-SJLPKXTDSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000544143135 840947194 /nfs/dbraw/zinc/94/71/94/840947194.db2.gz YQGYTMVQYLFDOL-SJLPKXTDSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000544143135 840947198 /nfs/dbraw/zinc/94/71/98/840947198.db2.gz YQGYTMVQYLFDOL-SJLPKXTDSA-N 1 3 381.358 3.806 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001167458820 841273360 /nfs/dbraw/zinc/27/33/60/841273360.db2.gz YQSZTRXYIPQTQH-FQEVSTJZSA-N 1 3 379.589 3.831 20 0 GHADHO COC1(C(F)(F)F)CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000418103143 841508676 /nfs/dbraw/zinc/50/86/76/841508676.db2.gz VSYWYPVJQRDZMO-UHFFFAOYSA-N 1 3 399.501 3.760 20 0 GHADHO CCN(C)c1ccccc1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000759817198 841816575 /nfs/dbraw/zinc/81/65/75/841816575.db2.gz PKFPWADEVQRXMA-UHFFFAOYSA-N 1 3 380.580 3.963 20 0 GHADHO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)sc1Br ZINC000512032579 842214542 /nfs/dbraw/zinc/21/45/42/842214542.db2.gz VMMRLWMVSIJRAK-ZIAGYGMSSA-N 1 3 375.376 3.562 20 0 GHADHO Cc1cc(C)c(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)c(C)c1 ZINC001167881700 843203700 /nfs/dbraw/zinc/20/37/00/843203700.db2.gz PQLAAWOECZDJIZ-UHFFFAOYSA-N 1 3 381.564 3.874 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431062718 843524632 /nfs/dbraw/zinc/52/46/32/843524632.db2.gz SQIZMTKGTKWPOJ-PGRDOPGGSA-N 1 3 390.531 3.555 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418675004 843525876 /nfs/dbraw/zinc/52/58/76/843525876.db2.gz PGOWFJYDEFVNIL-REWPJTCUSA-N 1 3 394.563 3.630 20 0 GHADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182341949 843529248 /nfs/dbraw/zinc/52/92/48/843529248.db2.gz VVNSHAXJVRPLBI-RRPUWOKSSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182341949 843529262 /nfs/dbraw/zinc/52/92/62/843529262.db2.gz VVNSHAXJVRPLBI-RRPUWOKSSA-N 1 3 398.595 3.776 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000236800977 843663829 /nfs/dbraw/zinc/66/38/29/843663829.db2.gz NGQOOOOBIRIAOG-JOCHJYFZSA-N 1 3 387.955 3.695 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)C1 ZINC000510991877 844758385 /nfs/dbraw/zinc/75/83/85/844758385.db2.gz BESUDPZMTFYOTO-QDSKXPNFSA-N 1 3 397.607 3.853 20 0 GHADHO CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCCC1 ZINC000512617939 844776041 /nfs/dbraw/zinc/77/60/41/844776041.db2.gz HAMVVXSFDZARRW-YPAWHYETSA-N 1 3 383.580 3.525 20 0 GHADHO CN1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000179268362 861515302 /nfs/dbraw/zinc/51/53/02/861515302.db2.gz GYKUUBPMPNRVKE-GOTSBHOMSA-N 1 3 392.547 3.527 20 0 GHADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000513267158 845158707 /nfs/dbraw/zinc/15/87/07/845158707.db2.gz KOHWQCCPFCQSAQ-BJKOFHAPSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000513267158 845158714 /nfs/dbraw/zinc/15/87/14/845158714.db2.gz KOHWQCCPFCQSAQ-BJKOFHAPSA-N 1 3 391.559 3.679 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000236820955 845248861 /nfs/dbraw/zinc/24/88/61/845248861.db2.gz HIANIWRGDAMFSI-IBGZPJMESA-N 1 3 399.501 3.984 20 0 GHADHO Cc1ccccc1CNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391457 861561026 /nfs/dbraw/zinc/56/10/26/861561026.db2.gz CHDCBLYCJURUQH-FQEVSTJZSA-N 1 3 394.563 3.633 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000513543375 845633749 /nfs/dbraw/zinc/63/37/49/845633749.db2.gz SCIYQBUBRLHXQJ-NQIIRXRSSA-N 1 3 398.551 3.673 20 0 GHADHO Cc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC001167505848 845634174 /nfs/dbraw/zinc/63/41/74/845634174.db2.gz WOOSYAYMSVSODM-HXUWFJFHSA-N 1 3 383.511 3.917 20 0 GHADHO Cc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001167505848 845634182 /nfs/dbraw/zinc/63/41/82/845634182.db2.gz WOOSYAYMSVSODM-HXUWFJFHSA-N 1 3 383.511 3.917 20 0 GHADHO c1csc(C[N@H+]2CCC[C@@H](CNCc3ccc(O[C@H]4CCOC4)cc3)C2)c1 ZINC000657338014 846340351 /nfs/dbraw/zinc/34/03/51/846340351.db2.gz GHCWTBGBTIJYCH-FPOVZHCZSA-N 1 3 386.561 3.918 20 0 GHADHO c1csc(C[N@@H+]2CCC[C@@H](CNCc3ccc(O[C@H]4CCOC4)cc3)C2)c1 ZINC000657338014 846340365 /nfs/dbraw/zinc/34/03/65/846340365.db2.gz GHCWTBGBTIJYCH-FPOVZHCZSA-N 1 3 386.561 3.918 20 0 GHADHO CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582122936 846419355 /nfs/dbraw/zinc/41/93/55/846419355.db2.gz TYIKWPIIYKNSET-MSOLQXFVSA-N 1 3 381.520 3.541 20 0 GHADHO COc1ccc2cc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)ccc2c1 ZINC000414544416 846464034 /nfs/dbraw/zinc/46/40/34/846464034.db2.gz CTLXQYKLWRNLIG-UHFFFAOYSA-N 1 3 390.527 3.965 20 0 GHADHO COc1ccc([C@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C(C)C)c(F)c1 ZINC000421842303 846631456 /nfs/dbraw/zinc/63/14/56/846631456.db2.gz NNTFZJGFFHFAKI-AUSIDOKSSA-N 1 3 386.511 3.888 20 0 GHADHO COc1ccc([C@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C(C)C)c(F)c1 ZINC000421842303 846631462 /nfs/dbraw/zinc/63/14/62/846631462.db2.gz NNTFZJGFFHFAKI-AUSIDOKSSA-N 1 3 386.511 3.888 20 0 GHADHO C[C@H]1CC2(CN1Cc1nc(-c3cccc(C(F)(F)F)c3)no1)CC[NH2+]CC2 ZINC000582235822 846673706 /nfs/dbraw/zinc/67/37/06/846673706.db2.gz PHQBOPPSUAYEEX-ZDUSSCGKSA-N 1 3 380.414 3.719 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](c4ccccc4)C3(C)C)CC2)CC1 ZINC000422149933 846854539 /nfs/dbraw/zinc/85/45/39/846854539.db2.gz BJEGLMCRRHZEAR-JOCHJYFZSA-N 1 3 398.595 3.523 20 0 GHADHO C[C@@H](NC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000501791673 847186471 /nfs/dbraw/zinc/18/64/71/847186471.db2.gz AXBPOQGDLUXSLA-SJORKVTESA-N 1 3 379.976 3.960 20 0 GHADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000501800074 847200702 /nfs/dbraw/zinc/20/07/02/847200702.db2.gz JCDAKNVVEKSLJW-MOPGFXCFSA-N 1 3 392.613 3.695 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719323 847795288 /nfs/dbraw/zinc/79/52/88/847795288.db2.gz YMHMZNPNHCWEFO-YOEHRIQHSA-N 1 3 389.341 3.541 20 0 GHADHO FC(F)(F)c1ccn(-c2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000422721534 847795726 /nfs/dbraw/zinc/79/57/26/847795726.db2.gz OEQKPZYWPIFSHB-KZNAEPCWSA-N 1 3 378.442 3.901 20 0 GHADHO COCC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000237129612 847806381 /nfs/dbraw/zinc/80/63/81/847806381.db2.gz JQWSXYILTQKXDJ-UHFFFAOYSA-N 1 3 390.531 3.740 20 0 GHADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422796271 847825906 /nfs/dbraw/zinc/82/59/06/847825906.db2.gz YABVNJQLRPLIDU-USCONSEESA-N 1 3 394.494 3.520 20 0 GHADHO CN(C)c1cc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2n1 ZINC000422808579 847833083 /nfs/dbraw/zinc/83/30/83/847833083.db2.gz OMJWCHZWQQCSAA-XUZZJYLKSA-N 1 3 388.515 3.646 20 0 GHADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422788556 847837182 /nfs/dbraw/zinc/83/71/82/847837182.db2.gz AXBZQHBOYRIIFO-OFNKIYASSA-N 1 3 379.504 3.627 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000422792982 847838858 /nfs/dbraw/zinc/83/88/58/847838858.db2.gz FJVWUSRHXAUOQF-QWHCGFSZSA-N 1 3 378.314 3.729 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422822157 847839907 /nfs/dbraw/zinc/83/99/07/847839907.db2.gz JHOZZUBKYPIEFV-GVDBMIGSSA-N 1 3 379.932 3.578 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000422862943 847859881 /nfs/dbraw/zinc/85/98/81/847859881.db2.gz OGGSYQSIYQGYQN-CYBMUJFWSA-N 1 3 393.457 3.582 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000115628899 847873291 /nfs/dbraw/zinc/87/32/91/847873291.db2.gz DLBUJFCGKPYDDY-KDOFPFPSSA-N 1 3 387.337 3.815 20 0 GHADHO FC(F)(F)c1cccc(OCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422950711 847912378 /nfs/dbraw/zinc/91/23/78/847912378.db2.gz WOHVUOOKYLJHEJ-UYAOXDASSA-N 1 3 392.421 3.930 20 0 GHADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H]3C[C@@H](N)c4ccccc43)nc12 ZINC000423035146 847948443 /nfs/dbraw/zinc/94/84/43/847948443.db2.gz JAUBBLVBDIKLLF-MSOLQXFVSA-N 1 3 385.309 3.682 20 0 GHADHO COC[C@@H](CCC[NH3+])N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423039744 847950877 /nfs/dbraw/zinc/95/08/77/847950877.db2.gz RJTBROAPRLVMFI-KGLIPLIRSA-N 1 3 383.252 3.786 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421346224 847967102 /nfs/dbraw/zinc/96/71/02/847967102.db2.gz YSBOTSZRFPVGBJ-UHFFFAOYSA-N 1 3 395.595 3.782 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604188337 861951518 /nfs/dbraw/zinc/95/15/18/861951518.db2.gz LZPMXLGBLRRPOD-JOCHJYFZSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226660 848908066 /nfs/dbraw/zinc/90/80/66/848908066.db2.gz CFTMQDAGKMRWJZ-WPYKKVEZSA-N 1 3 398.595 3.555 20 0 GHADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511226660 848908072 /nfs/dbraw/zinc/90/80/72/848908072.db2.gz CFTMQDAGKMRWJZ-WPYKKVEZSA-N 1 3 398.595 3.555 20 0 GHADHO FC(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Br ZINC000323229889 848998767 /nfs/dbraw/zinc/99/87/67/848998767.db2.gz SRLHGOJWXRJJAT-LBPRGKRZSA-N 1 3 393.247 3.922 20 0 GHADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2)CC1 ZINC000504200232 849968869 /nfs/dbraw/zinc/96/88/69/849968869.db2.gz ZFFCQWOLAKDRFA-HXUWFJFHSA-N 1 3 398.595 3.810 20 0 GHADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)c2)CC1 ZINC000504200232 849968880 /nfs/dbraw/zinc/96/88/80/849968880.db2.gz ZFFCQWOLAKDRFA-HXUWFJFHSA-N 1 3 398.595 3.810 20 0 GHADHO CC[C@H](C)[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000518784372 850145740 /nfs/dbraw/zinc/14/57/40/850145740.db2.gz YFUQDLVQFGDQMH-BTYIYWSLSA-N 1 3 377.960 3.760 20 0 GHADHO C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486828170 850148728 /nfs/dbraw/zinc/14/87/28/850148728.db2.gz VBJGYBIPDGRIOG-RXVVDRJESA-N 1 3 380.536 3.780 20 0 GHADHO C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486828170 850148736 /nfs/dbraw/zinc/14/87/36/850148736.db2.gz VBJGYBIPDGRIOG-RXVVDRJESA-N 1 3 380.536 3.780 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434351797 851005270 /nfs/dbraw/zinc/00/52/70/851005270.db2.gz DIRMJIPCYOFFNE-DENIHFKCSA-N 1 3 390.616 3.689 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434351797 851005281 /nfs/dbraw/zinc/00/52/81/851005281.db2.gz DIRMJIPCYOFFNE-DENIHFKCSA-N 1 3 390.616 3.689 20 0 GHADHO NC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000515462405 851050690 /nfs/dbraw/zinc/05/06/90/851050690.db2.gz NDGILQYLYCXJPZ-VSKRKVRLSA-N 1 3 378.520 3.710 20 0 GHADHO NC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000515462404 851051196 /nfs/dbraw/zinc/05/11/96/851051196.db2.gz NDGILQYLYCXJPZ-BHDDXSALSA-N 1 3 378.520 3.710 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000514104561 851241351 /nfs/dbraw/zinc/24/13/51/851241351.db2.gz KTMIQUAOLXFYIW-XQUALCHDSA-N 1 3 386.580 3.853 20 0 GHADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1)N1CCCCC1 ZINC000436313355 851448428 /nfs/dbraw/zinc/44/84/28/851448428.db2.gz LQPUGKUJWIZODC-LYCSZFELSA-N 1 3 395.591 3.668 20 0 GHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CC2)C1 ZINC000436310307 851469069 /nfs/dbraw/zinc/46/90/69/851469069.db2.gz QGIAFZCVOUMFAC-WKDRNLAYSA-N 1 3 375.601 3.800 20 0 GHADHO FC(F)(F)CCCN1CC2(C1)CC[NH+](Cc1scc3c1OCCO3)CC2 ZINC001279133891 851583242 /nfs/dbraw/zinc/58/32/42/851583242.db2.gz CDRNVGMFCNSBNW-UHFFFAOYSA-N 1 3 390.471 3.760 20 0 GHADHO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000488998547 851915288 /nfs/dbraw/zinc/91/52/88/851915288.db2.gz XJWDYZPBGXJWPQ-MOPGFXCFSA-N 1 3 383.580 3.651 20 0 GHADHO COCCOc1ccccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000515929900 851954249 /nfs/dbraw/zinc/95/42/49/851954249.db2.gz NYZMHVJXYNIUJF-GMAHTHKFSA-N 1 3 380.532 3.666 20 0 GHADHO COCCOc1ccccc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000515929900 851954252 /nfs/dbraw/zinc/95/42/52/851954252.db2.gz NYZMHVJXYNIUJF-GMAHTHKFSA-N 1 3 380.532 3.666 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c(F)cccc3NC(C)C)CC2)CC1 ZINC000911931268 851975540 /nfs/dbraw/zinc/97/55/40/851975540.db2.gz SCPVLGDKFGAVGE-UHFFFAOYSA-N 1 3 390.547 3.781 20 0 GHADHO CCN(CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)CCC(F)(F)F ZINC000426037401 852481256 /nfs/dbraw/zinc/48/12/56/852481256.db2.gz UUAJUVBYDWMLOC-VAMGGRTRSA-N 1 3 383.502 3.761 20 0 GHADHO CCN(CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)CCC(F)(F)F ZINC000426037401 852481261 /nfs/dbraw/zinc/48/12/61/852481261.db2.gz UUAJUVBYDWMLOC-VAMGGRTRSA-N 1 3 383.502 3.761 20 0 GHADHO CCN(CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)CCC(F)(F)F ZINC000426037401 852481268 /nfs/dbraw/zinc/48/12/68/852481268.db2.gz UUAJUVBYDWMLOC-VAMGGRTRSA-N 1 3 383.502 3.761 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000507193491 852664638 /nfs/dbraw/zinc/66/46/38/852664638.db2.gz OEMWNDPLSPJVLA-LJQANCHMSA-N 1 3 393.522 3.523 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595411 853029545 /nfs/dbraw/zinc/02/95/45/853029545.db2.gz HHFPDQVGXABIJL-JBACZVJFSA-N 1 3 398.551 3.625 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595411 853029555 /nfs/dbraw/zinc/02/95/55/853029555.db2.gz HHFPDQVGXABIJL-JBACZVJFSA-N 1 3 398.551 3.625 20 0 GHADHO COc1ccccc1-c1ncc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000490557446 853102920 /nfs/dbraw/zinc/10/29/20/853102920.db2.gz QCXHFTCYGMBFQI-OALUTQOASA-N 1 3 382.552 4.000 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](c4ccccc4)C[C@H]3C)CC2)CC1 ZINC000519700694 853385501 /nfs/dbraw/zinc/38/55/01/853385501.db2.gz GHXNNEHZXOCMAD-KNQAVFIVSA-N 1 3 383.580 3.587 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccc(F)cc3)C(C)C)CC2)CC1 ZINC000517169669 853459175 /nfs/dbraw/zinc/45/91/75/853459175.db2.gz ARYWGUYMMJZHJJ-QFIPXVFZSA-N 1 3 389.559 3.835 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000518518580 853463392 /nfs/dbraw/zinc/46/33/92/853463392.db2.gz CCDUTCKDXVVYOO-HLAWJBBLSA-N 1 3 393.531 3.550 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000518518580 853463396 /nfs/dbraw/zinc/46/33/96/853463396.db2.gz CCDUTCKDXVVYOO-HLAWJBBLSA-N 1 3 393.531 3.550 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@H](C)C3CCCCC3)CC2)CC1 ZINC000519782527 853488203 /nfs/dbraw/zinc/48/82/03/853488203.db2.gz UOALYGCJJLSINC-RBUKOAKNSA-N 1 3 377.617 3.904 20 0 GHADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891162 862505395 /nfs/dbraw/zinc/50/53/95/862505395.db2.gz GCFBNZAXNBJKIB-CHWSQXEVSA-N 1 3 391.300 3.615 20 0 GHADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891162 862505404 /nfs/dbraw/zinc/50/54/04/862505404.db2.gz GCFBNZAXNBJKIB-CHWSQXEVSA-N 1 3 391.300 3.615 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000520110413 853854053 /nfs/dbraw/zinc/85/40/53/853854053.db2.gz UFFWHLYHBLZQCV-QFIPXVFZSA-N 1 3 397.538 3.806 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000520110413 853854061 /nfs/dbraw/zinc/85/40/61/853854061.db2.gz UFFWHLYHBLZQCV-QFIPXVFZSA-N 1 3 397.538 3.806 20 0 GHADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000073895199 853963349 /nfs/dbraw/zinc/96/33/49/853963349.db2.gz VDFDNVPVEMIVMV-HNNXBMFYSA-N 1 3 375.340 3.538 20 0 GHADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000073895199 853963356 /nfs/dbraw/zinc/96/33/56/853963356.db2.gz VDFDNVPVEMIVMV-HNNXBMFYSA-N 1 3 375.340 3.538 20 0 GHADHO Cc1cccc(C2(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCCCC2)c1 ZINC000050797356 854358486 /nfs/dbraw/zinc/35/84/86/854358486.db2.gz JFXLZJLQLBBGOY-UHFFFAOYSA-N 1 3 397.607 3.872 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000624070531 862623363 /nfs/dbraw/zinc/62/33/63/862623363.db2.gz JMHCDBBFYHJGDS-HBMCJLEFSA-N 1 3 385.577 3.593 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000624070531 862623368 /nfs/dbraw/zinc/62/33/68/862623368.db2.gz JMHCDBBFYHJGDS-HBMCJLEFSA-N 1 3 385.577 3.593 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)CC(C)C ZINC000107934056 855624046 /nfs/dbraw/zinc/62/40/46/855624046.db2.gz TWNPQGKNFGGSDD-QFIPXVFZSA-N 1 3 388.600 3.660 20 0 GHADHO CSC1(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC[NH+](C)CC1 ZINC000573023199 855691472 /nfs/dbraw/zinc/69/14/72/855691472.db2.gz CRSPCUTWSDBLRA-SFHVURJKSA-N 1 3 399.000 3.815 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc3cc[nH]c3c2)[C@@H]1c1cccs1 ZINC000905136569 856182075 /nfs/dbraw/zinc/18/20/75/856182075.db2.gz ZNWUUSMWNLLJIS-JBYIUTFZSA-N 1 3 399.560 3.642 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc3cc[nH]c3c2)[C@@H]1c1cccs1 ZINC000905136569 856182079 /nfs/dbraw/zinc/18/20/79/856182079.db2.gz ZNWUUSMWNLLJIS-JBYIUTFZSA-N 1 3 399.560 3.642 20 0 GHADHO CC1CCN([C@@H](CNC(=O)c2cccn2C2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000165729041 856261252 /nfs/dbraw/zinc/26/12/52/856261252.db2.gz NJBZNZBFKJQOBJ-QHCPKHFHSA-N 1 3 394.563 3.616 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)CC2)CC1 ZINC000573502758 856263583 /nfs/dbraw/zinc/26/35/83/856263583.db2.gz DSDLMLJGPQIGTC-VLCRHTCISA-N 1 3 377.617 3.760 20 0 GHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000067452799 856267822 /nfs/dbraw/zinc/26/78/22/856267822.db2.gz DGIFIUSXHNZGEG-IAGOWNOFSA-N 1 3 388.531 3.607 20 0 GHADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172415951 856429261 /nfs/dbraw/zinc/42/92/61/856429261.db2.gz MHTGZMPFHPDGMA-FQEVSTJZSA-N 1 3 387.543 3.515 20 0 GHADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172415951 856429264 /nfs/dbraw/zinc/42/92/64/856429264.db2.gz MHTGZMPFHPDGMA-FQEVSTJZSA-N 1 3 387.543 3.515 20 0 GHADHO CC(C)(C)OC(=O)C1(CNC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000592371959 856784181 /nfs/dbraw/zinc/78/41/81/856784181.db2.gz BXPWKFWGFOBDCW-UHFFFAOYSA-N 1 3 380.573 3.512 20 0 GHADHO O=C(NC1CC1)[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000063631482 857022669 /nfs/dbraw/zinc/02/26/69/857022669.db2.gz CSWRZORNYKTKEY-HSZRJFAPSA-N 1 3 377.532 3.508 20 0 GHADHO COc1ccccc1NC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000574174459 857261244 /nfs/dbraw/zinc/26/12/44/857261244.db2.gz ODFBKGLXDSCOSR-OAQYLSRUSA-N 1 3 381.520 3.524 20 0 GHADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(I)cc1 ZINC000593321386 857527846 /nfs/dbraw/zinc/52/78/46/857527846.db2.gz IZODGQBYJFGPFP-CYBMUJFWSA-N 1 3 380.273 3.861 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000064237191 857687398 /nfs/dbraw/zinc/68/73/98/857687398.db2.gz ZGYVTYQSOHYMLB-ONTIZHBOSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000064237191 857687404 /nfs/dbraw/zinc/68/74/04/857687404.db2.gz ZGYVTYQSOHYMLB-ONTIZHBOSA-N 1 3 386.584 3.694 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000065522664 857813337 /nfs/dbraw/zinc/81/33/37/857813337.db2.gz YWKMMBBFZKWMOG-URVUXULASA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000065522664 857813346 /nfs/dbraw/zinc/81/33/46/857813346.db2.gz YWKMMBBFZKWMOG-URVUXULASA-N 1 3 386.584 3.633 20 0 GHADHO Cn1c2cc(C[NH2+][C@@H]3CCN(Cc4ccccc4)[C@H]4CCC[C@@H]43)ccc2oc1=O ZINC000624205550 862985731 /nfs/dbraw/zinc/98/57/31/862985731.db2.gz HEUJLANHOJHILR-NJYVYQBISA-N 1 3 391.515 3.664 20 0 GHADHO Cn1c2cc(C[NH2+][C@@H]3CCN(Cc4ccccc4)[C@H]4CCC[C@H]43)ccc2oc1=O ZINC000624205548 862986206 /nfs/dbraw/zinc/98/62/06/862986206.db2.gz HEUJLANHOJHILR-HBMCJLEFSA-N 1 3 391.515 3.664 20 0 GHADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(F)c(I)c1 ZINC000521624563 858166588 /nfs/dbraw/zinc/16/65/88/858166588.db2.gz LKXJPWBIVHAUAN-LLVKDONJSA-N 1 3 384.236 3.740 20 0 GHADHO CN1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1(C)C ZINC000442868132 858185328 /nfs/dbraw/zinc/18/53/28/858185328.db2.gz MXXBHOAPOFNZJL-GOSISDBHSA-N 1 3 398.364 3.655 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2cccc(Br)c21 ZINC000442879439 858201853 /nfs/dbraw/zinc/20/18/53/858201853.db2.gz VZEPYVLGGQIYRD-PBHICJAKSA-N 1 3 380.374 3.613 20 0 GHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1OCc1ccccc1 ZINC000442880898 858202706 /nfs/dbraw/zinc/20/27/06/858202706.db2.gz ZOMXSQGDLUWTQS-HXUWFJFHSA-N 1 3 381.564 3.942 20 0 GHADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000605426573 863025964 /nfs/dbraw/zinc/02/59/64/863025964.db2.gz ZNNZPLWUXLWWGO-UHFFFAOYSA-N 1 3 392.478 3.590 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000521974595 858503481 /nfs/dbraw/zinc/50/34/81/858503481.db2.gz XNVPBBVBSIGGBH-IFMALSPDSA-N 1 3 386.584 3.553 20 0 GHADHO COc1cc2c(cc1OC)[C@H](NCc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000479064858 858839854 /nfs/dbraw/zinc/83/98/54/858839854.db2.gz SLNATBYZYGZGQP-JOCHJYFZSA-N 1 3 396.531 3.956 20 0 GHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765976302 858983246 /nfs/dbraw/zinc/98/32/46/858983246.db2.gz MQMLLPKWFYDUBP-KXBFYZLASA-N 1 3 386.565 3.808 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(Br)o1 ZINC000483271102 859260912 /nfs/dbraw/zinc/26/09/12/859260912.db2.gz WZOWDATYDAUYSW-UHFFFAOYSA-N 1 3 398.389 3.670 20 0 GHADHO COCc1cccc(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856559371 881438419 /nfs/dbraw/zinc/43/84/19/881438419.db2.gz GFLMZPSBINGDHO-QHCPKHFHSA-N 1 3 383.536 3.722 20 0 GHADHO COCc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856559371 881438421 /nfs/dbraw/zinc/43/84/21/881438421.db2.gz GFLMZPSBINGDHO-QHCPKHFHSA-N 1 3 383.536 3.722 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000466501841 859759334 /nfs/dbraw/zinc/75/93/34/859759334.db2.gz GIAWLRSNKRONHR-IRLDBZIGSA-N 1 3 386.584 3.605 20 0 GHADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607787 859858512 /nfs/dbraw/zinc/85/85/12/859858512.db2.gz YIIJEVAQOMHYNC-DOTOQJQBSA-N 1 3 395.473 3.802 20 0 GHADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607787 859858519 /nfs/dbraw/zinc/85/85/19/859858519.db2.gz YIIJEVAQOMHYNC-DOTOQJQBSA-N 1 3 395.473 3.802 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cccc(OC3CCCC3)c2)cc1 ZINC000123866126 860123071 /nfs/dbraw/zinc/12/30/71/860123071.db2.gz VKSFDFLXSBQEEV-UHFFFAOYSA-N 1 3 395.547 3.589 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718663 860286510 /nfs/dbraw/zinc/28/65/10/860286510.db2.gz IIFJFJFKWSBWRV-JYAXBFRTSA-N 1 3 398.551 3.844 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718663 860286525 /nfs/dbraw/zinc/28/65/25/860286525.db2.gz IIFJFJFKWSBWRV-JYAXBFRTSA-N 1 3 398.551 3.844 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)ccn1 ZINC000856598099 881571332 /nfs/dbraw/zinc/57/13/32/881571332.db2.gz GDFQUIYTJXPPNP-QFIPXVFZSA-N 1 3 387.499 3.593 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCOc3ccc(F)cc3)C2)ccn1 ZINC000856598099 881571336 /nfs/dbraw/zinc/57/13/36/881571336.db2.gz GDFQUIYTJXPPNP-QFIPXVFZSA-N 1 3 387.499 3.593 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)c2cccs2)CC1 ZINC000623342770 860890643 /nfs/dbraw/zinc/89/06/43/860890643.db2.gz NKDJICCFNTYCSX-MOPGFXCFSA-N 1 3 392.613 3.552 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000623342770 860890648 /nfs/dbraw/zinc/89/06/48/860890648.db2.gz NKDJICCFNTYCSX-MOPGFXCFSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000181967675 863067252 /nfs/dbraw/zinc/06/72/52/863067252.db2.gz YCGHEQPYLUCSDW-RTBURBONSA-N 1 3 382.589 3.710 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000482474866 863183594 /nfs/dbraw/zinc/18/35/94/863183594.db2.gz GHXPEASTFZKMLC-XMMPIXPASA-N 1 3 391.559 3.923 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000482474866 863183605 /nfs/dbraw/zinc/18/36/05/863183605.db2.gz GHXPEASTFZKMLC-XMMPIXPASA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(OCc2ccccc2)c1 ZINC000482545802 863302877 /nfs/dbraw/zinc/30/28/77/863302877.db2.gz ZMIZCTZPRCJOQV-DENIHFKCSA-N 1 3 395.547 3.504 20 0 GHADHO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000182736263 863342140 /nfs/dbraw/zinc/34/21/40/863342140.db2.gz GBXZBYKYRWUGOT-GOSISDBHSA-N 1 3 391.625 3.855 20 0 GHADHO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000606409484 863603587 /nfs/dbraw/zinc/60/35/87/863603587.db2.gz ZFVQKISCBKBCMJ-ZJSXRUAMSA-N 1 3 397.607 3.807 20 0 GHADHO CN1CCN(c2ncccc2C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000158474906 863844261 /nfs/dbraw/zinc/84/42/61/863844261.db2.gz NGEURWQORFOCGV-GOSISDBHSA-N 1 3 388.968 3.814 20 0 GHADHO C[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000667621072 864060003 /nfs/dbraw/zinc/06/00/03/864060003.db2.gz ZDSLPUBMJLIRFM-VWNXMTODSA-N 1 3 380.532 3.808 20 0 GHADHO C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000667621072 864060019 /nfs/dbraw/zinc/06/00/19/864060019.db2.gz ZDSLPUBMJLIRFM-VWNXMTODSA-N 1 3 380.532 3.808 20 0 GHADHO C[C@H]1CC(N2CCC(NC(=O)N3CCCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056958 864363721 /nfs/dbraw/zinc/36/37/21/864363721.db2.gz KPPYNPDWFGPLTA-PMACEKPBSA-N 1 3 398.595 3.698 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000163629514 864543798 /nfs/dbraw/zinc/54/37/98/864543798.db2.gz OMEIBDKENRHHRK-OAQYLSRUSA-N 1 3 386.561 3.970 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000163629514 864543801 /nfs/dbraw/zinc/54/38/01/864543801.db2.gz OMEIBDKENRHHRK-OAQYLSRUSA-N 1 3 386.561 3.970 20 0 GHADHO CCCC[NH+]1CCC(N[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000164439774 864613731 /nfs/dbraw/zinc/61/37/31/864613731.db2.gz PSAKTPGFPLKJQI-QGZVFWFLSA-N 1 3 379.976 3.931 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4OC)cc2)CC1 ZINC000480716077 865156204 /nfs/dbraw/zinc/15/62/04/865156204.db2.gz WRXWKZFCUARNLG-HSZRJFAPSA-N 1 3 379.548 3.610 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@H]1C ZINC000481175109 865925144 /nfs/dbraw/zinc/92/51/44/865925144.db2.gz LUVWNKCUOGXMCX-VIZSFHNOSA-N 1 3 391.559 3.855 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000523203073 866854696 /nfs/dbraw/zinc/85/46/96/866854696.db2.gz JMLJDXHEUQHCPU-SVFBPWRDSA-N 1 3 386.584 3.632 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000523203073 866854712 /nfs/dbraw/zinc/85/47/12/866854712.db2.gz JMLJDXHEUQHCPU-SVFBPWRDSA-N 1 3 386.584 3.632 20 0 GHADHO CC1CCN([C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c2cccs2)CC1 ZINC000479217182 867370731 /nfs/dbraw/zinc/37/07/31/867370731.db2.gz ZWCYEEQJYRBYIO-MOPGFXCFSA-N 1 3 389.540 3.519 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000155648299 868003111 /nfs/dbraw/zinc/00/31/11/868003111.db2.gz VPXTXXUDODDETO-CABCVRRESA-N 1 3 378.611 3.857 20 0 GHADHO C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000155978052 868205176 /nfs/dbraw/zinc/20/51/76/868205176.db2.gz PCPXMYTZWBFQOC-HNNXBMFYSA-N 1 3 390.911 3.902 20 0 GHADHO C[N@@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000920590469 882194521 /nfs/dbraw/zinc/19/45/21/882194521.db2.gz CCXNTUFHTWKHKG-GJZGRUSLSA-N 1 3 399.318 3.764 20 0 GHADHO C[N@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000920590469 882194525 /nfs/dbraw/zinc/19/45/25/882194525.db2.gz CCXNTUFHTWKHKG-GJZGRUSLSA-N 1 3 399.318 3.764 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccccc1Cl ZINC000553964503 868509985 /nfs/dbraw/zinc/50/99/85/868509985.db2.gz HMZRUZPQEJHNAS-RTWAWAEBSA-N 1 3 385.939 3.554 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1Cl ZINC000553964497 868510007 /nfs/dbraw/zinc/51/00/07/868510007.db2.gz HMZRUZPQEJHNAS-LEWJYISDSA-N 1 3 385.939 3.554 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446258122 869618849 /nfs/dbraw/zinc/61/88/49/869618849.db2.gz DJCRHGDLEJMXBH-YPHICONVSA-N 1 3 385.552 3.532 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446258122 869618855 /nfs/dbraw/zinc/61/88/55/869618855.db2.gz DJCRHGDLEJMXBH-YPHICONVSA-N 1 3 385.552 3.532 20 0 GHADHO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045835 870298791 /nfs/dbraw/zinc/29/87/91/870298791.db2.gz QTPJXQKKXYYYLQ-FQEVSTJZSA-N 1 3 394.563 3.840 20 0 GHADHO Cc1cc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)s1 ZINC000248170658 870308070 /nfs/dbraw/zinc/30/80/70/870308070.db2.gz USQFYCWXDWXNEA-OXQOHEQNSA-N 1 3 385.577 3.913 20 0 GHADHO Cc1cc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)s1 ZINC000248170658 870308089 /nfs/dbraw/zinc/30/80/89/870308089.db2.gz USQFYCWXDWXNEA-OXQOHEQNSA-N 1 3 385.577 3.913 20 0 GHADHO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248419235 870397622 /nfs/dbraw/zinc/39/76/22/870397622.db2.gz UUBGXVQETYZTKX-YALMDMJRSA-N 1 3 389.543 3.572 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OCC ZINC000248437033 870419372 /nfs/dbraw/zinc/41/93/72/870419372.db2.gz GRACMTHQUPMOAL-XMSQKQJNSA-N 1 3 398.547 3.901 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OCC ZINC000248437033 870419381 /nfs/dbraw/zinc/41/93/81/870419381.db2.gz GRACMTHQUPMOAL-XMSQKQJNSA-N 1 3 398.547 3.901 20 0 GHADHO CO[C@@H]1CCCN(Cc2cc(C[N@@H+]3CCC[C@H](OC)CC3)ccc2F)CC1 ZINC000649421972 870772659 /nfs/dbraw/zinc/77/26/59/870772659.db2.gz YNXVTFVXQGUAGM-LEWJYISDSA-N 1 3 378.532 3.828 20 0 GHADHO CO[C@@H]1CCCN(Cc2cc(C[N@H+]3CCC[C@H](OC)CC3)ccc2F)CC1 ZINC000649421972 870772671 /nfs/dbraw/zinc/77/26/71/870772671.db2.gz YNXVTFVXQGUAGM-LEWJYISDSA-N 1 3 378.532 3.828 20 0 GHADHO FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000249214541 870791634 /nfs/dbraw/zinc/79/16/34/870791634.db2.gz ZLTXEEBGVFJPKY-PWRODBHTSA-N 1 3 395.513 3.761 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC1CC[NH+](C(C)(C)C)CC1 ZINC000089512904 870989574 /nfs/dbraw/zinc/98/95/74/870989574.db2.gz BXTIAVDMCTZMFZ-INIZCTEOSA-N 1 3 379.976 3.930 20 0 GHADHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1C ZINC000090028588 871089793 /nfs/dbraw/zinc/08/97/93/871089793.db2.gz HGAKTZDDDUAJQX-HXUWFJFHSA-N 1 3 379.548 3.980 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000539053414 871183879 /nfs/dbraw/zinc/18/38/79/871183879.db2.gz PWBPJKPVTWMBTA-FUHWJXTLSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000539053414 871183881 /nfs/dbraw/zinc/18/38/81/871183881.db2.gz PWBPJKPVTWMBTA-FUHWJXTLSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001169539887 871616462 /nfs/dbraw/zinc/61/64/62/871616462.db2.gz KMQOEQMYYQZWEK-PTUXOGIPSA-N 1 3 379.548 3.706 20 0 GHADHO CCOC(=O)N1CCC[C@@H](N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)CC1 ZINC001169669830 871738901 /nfs/dbraw/zinc/73/89/01/871738901.db2.gz VNSFIWGKWAJAJX-LJQANCHMSA-N 1 3 393.959 3.687 20 0 GHADHO CCOC(=O)N1CCC[C@H](N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001169669661 871739453 /nfs/dbraw/zinc/73/94/53/871739453.db2.gz UBRVCLJMPJHDHS-IBGZPJMESA-N 1 3 393.959 3.687 20 0 GHADHO CCOC(=O)N1CCC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CC1 ZINC001169708172 871790948 /nfs/dbraw/zinc/79/09/48/871790948.db2.gz ZDKRUZOGNVZUFI-NRFANRHFSA-N 1 3 385.552 3.595 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001169757697 871843501 /nfs/dbraw/zinc/84/35/01/871843501.db2.gz ROYLXNNBEWXODR-REWPJTCUSA-N 1 3 381.564 3.702 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nc4ccccc4n3C(C)C)CC2)CC1 ZINC000618854933 872082303 /nfs/dbraw/zinc/08/23/03/872082303.db2.gz DTKHSFIXFQNZME-UHFFFAOYSA-N 1 3 397.567 3.752 20 0 GHADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)CN1CCCC1 ZINC000477926147 872155687 /nfs/dbraw/zinc/15/56/87/872155687.db2.gz FWWUNOFLUQFDKT-MOPGFXCFSA-N 1 3 397.563 3.696 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)N1CCCCC1 ZINC000182431744 872329729 /nfs/dbraw/zinc/32/97/29/872329729.db2.gz OKBKMNDYZMIWEQ-JOCHJYFZSA-N 1 3 386.584 3.666 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000619363350 872577025 /nfs/dbraw/zinc/57/70/25/872577025.db2.gz ZWXZHEYTJNGAJO-JENIJYKNSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000619363350 872577030 /nfs/dbraw/zinc/57/70/30/872577030.db2.gz ZWXZHEYTJNGAJO-JENIJYKNSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000448216243 873022339 /nfs/dbraw/zinc/02/23/39/873022339.db2.gz ATNFEZLVBALMOW-AZUAARDMSA-N 1 3 394.629 3.798 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000448216243 873022358 /nfs/dbraw/zinc/02/23/58/873022358.db2.gz ATNFEZLVBALMOW-AZUAARDMSA-N 1 3 394.629 3.798 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000122727128 882678185 /nfs/dbraw/zinc/67/81/85/882678185.db2.gz QJGIBBVYFFNESW-JKSUJKDBSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000122727128 882678201 /nfs/dbraw/zinc/67/82/01/882678201.db2.gz QJGIBBVYFFNESW-JKSUJKDBSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000122727128 882678208 /nfs/dbraw/zinc/67/82/08/882678208.db2.gz QJGIBBVYFFNESW-JKSUJKDBSA-N 1 3 381.948 3.920 20 0 GHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768209620 873145500 /nfs/dbraw/zinc/14/55/00/873145500.db2.gz RTIGVUOTOYYBOP-GUDVDZBRSA-N 1 3 397.604 3.501 20 0 GHADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2)c1ccc2c(c1)CCCC2 ZINC001196788430 873361261 /nfs/dbraw/zinc/36/12/61/873361261.db2.gz AMTVZVYBAOJUPW-WOJBJXKFSA-N 1 3 397.607 3.939 20 0 GHADHO CC1(C)CC([NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)CC(C)(C)N1O ZINC001170002306 873878532 /nfs/dbraw/zinc/87/85/32/873878532.db2.gz RYJDIJRTWUJGJU-UHFFFAOYSA-N 1 3 375.557 3.978 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(CCc3ccccc3)s2)C[C@H](C)O1 ZINC000449103606 874477598 /nfs/dbraw/zinc/47/75/98/874477598.db2.gz RATXEBAUOUKAJW-KDURUIRLSA-N 1 3 387.593 3.907 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449158196 874545275 /nfs/dbraw/zinc/54/52/75/874545275.db2.gz XYNIYNFBKDAVIW-HXUWFJFHSA-N 1 3 387.612 3.561 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000770379134 874620673 /nfs/dbraw/zinc/62/06/73/874620673.db2.gz KUDMZGMAMUYBPV-MJGOQNOKSA-N 1 3 391.556 3.505 20 0 GHADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001198952590 874726573 /nfs/dbraw/zinc/72/65/73/874726573.db2.gz MDHUNXRSIYEYHO-UHFFFAOYSA-N 1 3 375.557 3.657 20 0 GHADHO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528711512 874941168 /nfs/dbraw/zinc/94/11/68/874941168.db2.gz BAXQUBPBRPZTFW-UHFFFAOYSA-N 1 3 388.556 3.535 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC1 ZINC000449545713 875009719 /nfs/dbraw/zinc/00/97/19/875009719.db2.gz ZHVYKPMIAMTVKA-VWNXMTODSA-N 1 3 394.563 3.624 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)CC1 ZINC000449545696 875010556 /nfs/dbraw/zinc/01/05/56/875010556.db2.gz ZHVYKPMIAMTVKA-ISKFKSNPSA-N 1 3 394.563 3.624 20 0 GHADHO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000449597748 875101221 /nfs/dbraw/zinc/10/12/21/875101221.db2.gz ZTFDOJTZDQIYBM-MOGNJTFLSA-N 1 3 394.563 3.531 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)N1CCCCC1 ZINC000465200397 875311688 /nfs/dbraw/zinc/31/16/88/875311688.db2.gz PWIQVQJKNYGBJB-UGKGYDQZSA-N 1 3 387.568 3.856 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)N1CCCCC1 ZINC000465200397 875311701 /nfs/dbraw/zinc/31/17/01/875311701.db2.gz PWIQVQJKNYGBJB-UGKGYDQZSA-N 1 3 387.568 3.856 20 0 GHADHO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000192471857 882926679 /nfs/dbraw/zinc/92/66/79/882926679.db2.gz PSQUJFUOSKZDOK-HYBUGGRVSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475737457 882935425 /nfs/dbraw/zinc/93/54/25/882935425.db2.gz CWZPTUGOGYVLQH-JKSUJKDBSA-N 1 3 377.960 3.507 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)(N2CCCCC2)CC1 ZINC000172750115 875898212 /nfs/dbraw/zinc/89/82/12/875898212.db2.gz BKYGPFKLMSMWNM-OALUTQOASA-N 1 3 389.971 3.510 20 0 GHADHO Cn1cccc1C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237879178 883003222 /nfs/dbraw/zinc/00/32/22/883003222.db2.gz WKFRQKYYMVTVOZ-UHFFFAOYSA-N 1 3 394.485 3.736 20 0 GHADHO CCc1ccc2nccc(N3CCC(C(=O)NCCC[NH+](CC)CC)CC3)c2c1 ZINC000450256782 876155578 /nfs/dbraw/zinc/15/55/78/876155578.db2.gz IJFVXLCWQDDMOM-UHFFFAOYSA-N 1 3 396.579 3.862 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccsc1 ZINC000173823157 876668578 /nfs/dbraw/zinc/66/85/78/876668578.db2.gz PXZVGHMCJAUOEV-AABGKKOBSA-N 1 3 392.613 3.788 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccsc1 ZINC000173823157 876668586 /nfs/dbraw/zinc/66/85/86/876668586.db2.gz PXZVGHMCJAUOEV-AABGKKOBSA-N 1 3 392.613 3.788 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3sc(Br)cc32)C[C@H](C)O1 ZINC000551014301 883066130 /nfs/dbraw/zinc/06/61/30/883066130.db2.gz RSDVXNCOAJJQIH-VNHYZAJKSA-N 1 3 387.387 3.977 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(SC(F)F)cc3)cc2)C1 ZINC000850357359 876848114 /nfs/dbraw/zinc/84/81/14/876848114.db2.gz GTRARPCAJMRADN-SFHVURJKSA-N 1 3 378.488 3.858 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(SC(F)F)cc3)cc2)C1 ZINC000850357359 876848121 /nfs/dbraw/zinc/84/81/21/876848121.db2.gz GTRARPCAJMRADN-SFHVURJKSA-N 1 3 378.488 3.858 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433838 876917958 /nfs/dbraw/zinc/91/79/58/876917958.db2.gz RQGCQBUYRCSAMF-LPHOPBHVSA-N 1 3 397.485 3.732 20 0 GHADHO CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000850471902 876949964 /nfs/dbraw/zinc/94/99/64/876949964.db2.gz UMBAFRKJZWERAE-HWELCPFYSA-N 1 3 387.568 3.936 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCO2 ZINC000850473926 876952061 /nfs/dbraw/zinc/95/20/61/876952061.db2.gz IKUXYHHJRNNUHD-LJQANCHMSA-N 1 3 380.532 3.689 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1OC ZINC000850558056 877023927 /nfs/dbraw/zinc/02/39/27/877023927.db2.gz PRFMFSHURKOJHZ-MSOLQXFVSA-N 1 3 389.584 3.835 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000788246871 877949325 /nfs/dbraw/zinc/94/93/25/877949325.db2.gz GJIOIBVPPDWLBH-XEYPJELSSA-N 1 3 375.557 3.583 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000788246871 877949331 /nfs/dbraw/zinc/94/93/31/877949331.db2.gz GJIOIBVPPDWLBH-XEYPJELSSA-N 1 3 375.557 3.583 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177601982 878773988 /nfs/dbraw/zinc/77/39/88/878773988.db2.gz JJKKSYLUNVSUAN-MJGOQNOKSA-N 1 3 375.582 3.656 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177601982 878773999 /nfs/dbraw/zinc/77/39/99/878773999.db2.gz JJKKSYLUNVSUAN-MJGOQNOKSA-N 1 3 375.582 3.656 20 0 GHADHO CC1(C)CN(C[C@H](O)c2ccccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000853063700 878783480 /nfs/dbraw/zinc/78/34/80/878783480.db2.gz FDIBHTYBEKVFNG-XZOQPEGZSA-N 1 3 379.548 3.738 20 0 GHADHO O[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1c(F)cccc1F ZINC000853120253 878827219 /nfs/dbraw/zinc/82/72/19/878827219.db2.gz JBOBUOLLEPZCHP-NQIIRXRSSA-N 1 3 386.486 3.890 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000667054105 878961702 /nfs/dbraw/zinc/96/17/02/878961702.db2.gz JHJYWMWJFDCULI-LRQRDZAKSA-N 1 3 376.541 3.591 20 0 GHADHO COc1cccc(COCCN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000538307102 879226289 /nfs/dbraw/zinc/22/62/89/879226289.db2.gz VUUFABXUAUUDFZ-QFIPXVFZSA-N 1 3 396.531 3.790 20 0 GHADHO CC[NH+](CC)CCOc1ccc(-c2noc(C[C@H]3NCc4ccccc43)n2)cc1 ZINC000854144557 879579417 /nfs/dbraw/zinc/57/94/17/879579417.db2.gz ANGGCJLSFRDZTO-OAQYLSRUSA-N 1 3 392.503 3.844 20 0 GHADHO O[C@H](COc1cccc2ccccc21)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246823168 879815769 /nfs/dbraw/zinc/81/57/69/879815769.db2.gz NUZSFZAKEHMJLG-IEIRFRATSA-N 1 3 380.532 3.528 20 0 GHADHO O[C@H](COc1cccc2ccccc21)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246823168 879815787 /nfs/dbraw/zinc/81/57/87/879815787.db2.gz NUZSFZAKEHMJLG-IEIRFRATSA-N 1 3 380.532 3.528 20 0 GHADHO CC1(C)CN(C[C@H](O)CC(F)(F)F)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453005022 880319140 /nfs/dbraw/zinc/31/91/40/880319140.db2.gz ATXCFZTVSGTROS-MOPGFXCFSA-N 1 3 384.486 3.922 20 0 GHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cc(-c2ccccc2)nn1C ZINC000453070395 880391506 /nfs/dbraw/zinc/39/15/06/880391506.db2.gz VDYSWUCFEZYTDK-GOSISDBHSA-N 1 3 378.520 3.878 20 0 GHADHO c1ncn(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@@H]4CCC[C@H]43)cc2)n1 ZINC000453109383 880477594 /nfs/dbraw/zinc/47/75/94/880477594.db2.gz PKTQAVIQWNGRRG-KMDXXIMOSA-N 1 3 387.531 3.800 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCCCN(C)C2CC2)cc1 ZINC000453390100 880886600 /nfs/dbraw/zinc/88/66/00/880886600.db2.gz CXARRVGNOBANIW-SFTDATJTSA-N 1 3 378.582 3.544 20 0 GHADHO COc1c(Br)cccc1C[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000187243410 881120312 /nfs/dbraw/zinc/12/03/12/881120312.db2.gz QFNPVEKFHJGQAK-UHFFFAOYSA-N 1 3 381.289 3.948 20 0 GHADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000119894618 881204820 /nfs/dbraw/zinc/20/48/20/881204820.db2.gz LNGOCKCGFNLQQB-HNNXBMFYSA-N 1 3 390.881 3.797 20 0 GHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000187480895 881209443 /nfs/dbraw/zinc/20/94/43/881209443.db2.gz TZHKLGGTWDUUEJ-QFIPXVFZSA-N 1 3 388.600 3.516 20 0 GHADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000565421854 883254206 /nfs/dbraw/zinc/25/42/06/883254206.db2.gz JVWWOGYZWSPBHT-DZFGPLHGSA-N 1 3 382.552 3.873 20 0 GHADHO Fc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc1Cl ZINC001211910718 883410954 /nfs/dbraw/zinc/41/09/54/883410954.db2.gz JQGQJLZLZHLCBP-INIZCTEOSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc1Cl ZINC001211910718 883410960 /nfs/dbraw/zinc/41/09/60/883410960.db2.gz JQGQJLZLZHLCBP-INIZCTEOSA-N 1 3 398.869 3.718 20 0 GHADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000194734666 883914613 /nfs/dbraw/zinc/91/46/13/883914613.db2.gz RRXKUTYJZPCEDS-JOCHJYFZSA-N 1 3 377.532 3.534 20 0 GHADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000194734666 883914621 /nfs/dbraw/zinc/91/46/21/883914621.db2.gz RRXKUTYJZPCEDS-JOCHJYFZSA-N 1 3 377.532 3.534 20 0 GHADHO c1cc2cc(-c3noc([C@@H]4C[N@@H+](Cc5ccccc5)CC45CNC5)n3)ccc2o1 ZINC001211911964 883989478 /nfs/dbraw/zinc/98/94/78/883989478.db2.gz WFROIKHSCCFXPV-IBGZPJMESA-N 1 3 386.455 3.672 20 0 GHADHO c1cc2cc(-c3noc([C@@H]4C[N@H+](Cc5ccccc5)CC45CNC5)n3)ccc2o1 ZINC001211911964 883989492 /nfs/dbraw/zinc/98/94/92/883989492.db2.gz WFROIKHSCCFXPV-IBGZPJMESA-N 1 3 386.455 3.672 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000129974685 884018839 /nfs/dbraw/zinc/01/88/39/884018839.db2.gz ITXDTGRTEIRJPV-RBUKOAKNSA-N 1 3 397.485 3.723 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000129975148 884019140 /nfs/dbraw/zinc/01/91/40/884019140.db2.gz ITXDTGRTEIRJPV-RTBURBONSA-N 1 3 397.485 3.723 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000192762022 884296758 /nfs/dbraw/zinc/29/67/58/884296758.db2.gz HVVIIWGWBZZQEN-LJQANCHMSA-N 1 3 390.641 3.617 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000192762022 884296775 /nfs/dbraw/zinc/29/67/75/884296775.db2.gz HVVIIWGWBZZQEN-LJQANCHMSA-N 1 3 390.641 3.617 20 0 GHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000495088276 884516693 /nfs/dbraw/zinc/51/66/93/884516693.db2.gz UUQQLFADUNOQLR-SFHVURJKSA-N 1 3 383.536 3.570 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000460347411 884927174 /nfs/dbraw/zinc/92/71/74/884927174.db2.gz CAPWVXZNZCLEDK-GZOXUSKESA-N 1 3 383.580 3.739 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000666441047 885043171 /nfs/dbraw/zinc/04/31/71/885043171.db2.gz JBIKGICRBPQHKC-QHCPKHFHSA-N 1 3 380.532 3.981 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccc4[nH]cnc4c3F)c3ccccc23)CC1 ZINC001170528216 885543921 /nfs/dbraw/zinc/54/39/21/885543921.db2.gz GBROYLYCYSOKQH-UHFFFAOYSA-N 1 3 377.467 3.612 20 0 GHADHO Nc1cnc2c(cccc2-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170527844 885565650 /nfs/dbraw/zinc/56/56/50/885565650.db2.gz BDHHHCJJUCVEKC-UHFFFAOYSA-N 1 3 385.515 3.727 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506338 885840845 /nfs/dbraw/zinc/84/08/45/885840845.db2.gz MBOQOMKICUXYNJ-MOPGFXCFSA-N 1 3 378.520 3.906 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506338 885840863 /nfs/dbraw/zinc/84/08/63/885840863.db2.gz MBOQOMKICUXYNJ-MOPGFXCFSA-N 1 3 378.520 3.906 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1C ZINC000532569030 886127568 /nfs/dbraw/zinc/12/75/68/886127568.db2.gz VOQKFSYIDNHSRH-UTKZUKDTSA-N 1 3 397.567 3.622 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1C ZINC000532569030 886127578 /nfs/dbraw/zinc/12/75/78/886127578.db2.gz VOQKFSYIDNHSRH-UTKZUKDTSA-N 1 3 397.567 3.622 20 0 GHADHO C[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000556814148 886230134 /nfs/dbraw/zinc/23/01/34/886230134.db2.gz YIXBBHKTFRERQG-WMZOPIPTSA-N 1 3 387.474 3.794 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869859 886423946 /nfs/dbraw/zinc/42/39/46/886423946.db2.gz KJGANFLIBQJUCJ-PKTZIBPZSA-N 1 3 379.548 3.933 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869859 886423952 /nfs/dbraw/zinc/42/39/52/886423952.db2.gz KJGANFLIBQJUCJ-PKTZIBPZSA-N 1 3 379.548 3.933 20 0 GHADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072858426 886478809 /nfs/dbraw/zinc/47/88/09/886478809.db2.gz JRUZBAPZFQMDMP-HXUWFJFHSA-N 1 3 379.548 3.556 20 0 GHADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072858426 886478813 /nfs/dbraw/zinc/47/88/13/886478813.db2.gz JRUZBAPZFQMDMP-HXUWFJFHSA-N 1 3 379.548 3.556 20 0 GHADHO COc1ccc2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000287143554 913137616 /nfs/dbraw/zinc/13/76/16/913137616.db2.gz HSODUXMKJHPQHZ-UHFFFAOYSA-N 1 3 396.535 3.529 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)C1(N(C)C)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000763028144 887572341 /nfs/dbraw/zinc/57/23/41/887572341.db2.gz GDJUUFFQPNCBPQ-KRWDZBQOSA-N 1 3 385.474 3.689 20 0 GHADHO CC(=O)N1CC[C@H]([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000359893563 887612437 /nfs/dbraw/zinc/61/24/37/887612437.db2.gz DUIRGLOARRIGBX-JZWVFAODSA-N 1 3 377.532 3.985 20 0 GHADHO C[C@H]1CN(c2ccccc2C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459360742 887672429 /nfs/dbraw/zinc/67/24/29/887672429.db2.gz YSLQKCAMBMIFGC-GMAHTHKFSA-N 1 3 393.575 3.866 20 0 GHADHO C[C@H]1CN(c2ccccc2C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459360742 887672438 /nfs/dbraw/zinc/67/24/38/887672438.db2.gz YSLQKCAMBMIFGC-GMAHTHKFSA-N 1 3 393.575 3.866 20 0 GHADHO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000532682580 887719610 /nfs/dbraw/zinc/71/96/10/887719610.db2.gz CYFURWWODDWJAY-QFIPXVFZSA-N 1 3 392.547 3.837 20 0 GHADHO CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000809703375 887721556 /nfs/dbraw/zinc/72/15/56/887721556.db2.gz JTTVIMICIVXCEL-QHCPKHFHSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000809703375 887721569 /nfs/dbraw/zinc/72/15/69/887721569.db2.gz JTTVIMICIVXCEL-QHCPKHFHSA-N 1 3 387.568 3.888 20 0 GHADHO CCN1CCN(c2ccc(NC3CCN(c4cc[nH+]cc4)CC3)c(C)c2)CC1 ZINC000459371113 887772711 /nfs/dbraw/zinc/77/27/11/887772711.db2.gz YHAHKPUCIDLMTP-UHFFFAOYSA-N 1 3 379.552 3.613 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001131900838 887888555 /nfs/dbraw/zinc/88/85/55/887888555.db2.gz KYROLYAHOUKPJU-HSZRJFAPSA-N 1 3 389.559 3.617 20 0 GHADHO CN1c2ccc(C[NH2+]C[C@@H]3CCCCN(Cc4ccccc4)C3)cc2CCC1=O ZINC000810177517 888261599 /nfs/dbraw/zinc/26/15/99/888261599.db2.gz HCUSMKSDASKLRT-QFIPXVFZSA-N 1 3 391.559 3.988 20 0 GHADHO O=C(c1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1)N1CCCC1 ZINC000865447595 888359523 /nfs/dbraw/zinc/35/95/23/888359523.db2.gz VPDYABFUMQQRCX-HSZRJFAPSA-N 1 3 391.559 3.577 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810328854 888399735 /nfs/dbraw/zinc/39/97/35/888399735.db2.gz GEQONPHOGBGETP-HSZRJFAPSA-N 1 3 389.559 3.570 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810328854 888399747 /nfs/dbraw/zinc/39/97/47/888399747.db2.gz GEQONPHOGBGETP-HSZRJFAPSA-N 1 3 389.559 3.570 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1)CC(C)C ZINC000810877949 888948556 /nfs/dbraw/zinc/94/85/56/888948556.db2.gz OTEADDLQBIKVGS-QFIPXVFZSA-N 1 3 383.596 3.806 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1)CC(C)C ZINC000810877949 888948564 /nfs/dbraw/zinc/94/85/64/888948564.db2.gz OTEADDLQBIKVGS-QFIPXVFZSA-N 1 3 383.596 3.806 20 0 GHADHO Cc1ccccc1[C@@H](OC[C@@H](O)CNC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000644513463 913325338 /nfs/dbraw/zinc/32/53/38/913325338.db2.gz JSXBGOODSDPOMM-ZCYQVOJMSA-N 1 3 396.575 3.924 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000644525546 913339445 /nfs/dbraw/zinc/33/94/45/913339445.db2.gz UCOJSKQIMYHKAC-JOCHJYFZSA-N 1 3 382.548 3.946 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccsc1 ZINC000128301645 891602463 /nfs/dbraw/zinc/60/24/63/891602463.db2.gz WSBVZZKEPOWAJL-NEWSRXKRSA-N 1 3 380.602 3.503 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccsc1 ZINC000128301645 891602471 /nfs/dbraw/zinc/60/24/71/891602471.db2.gz WSBVZZKEPOWAJL-NEWSRXKRSA-N 1 3 380.602 3.503 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000128661701 892236140 /nfs/dbraw/zinc/23/61/40/892236140.db2.gz IZTRTKGQMCHKMQ-QAPCUYQASA-N 1 3 381.948 3.776 20 0 GHADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCN(C2CCCC2)CC1 ZINC000497727548 892308889 /nfs/dbraw/zinc/30/88/89/892308889.db2.gz YNNPNUBKMKIXKA-UHFFFAOYSA-N 1 3 398.595 3.832 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547050 892467473 /nfs/dbraw/zinc/46/74/73/892467473.db2.gz SXPPYUPAFQAQLV-VQTJNVASSA-N 1 3 392.613 3.695 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547050 892467486 /nfs/dbraw/zinc/46/74/86/892467486.db2.gz SXPPYUPAFQAQLV-VQTJNVASSA-N 1 3 392.613 3.695 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1)c1ccccc1 ZINC000825796206 892639783 /nfs/dbraw/zinc/63/97/83/892639783.db2.gz ZMLWZGXFCUWWCC-OALUTQOASA-N 1 3 388.943 3.633 20 0 GHADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC[C@@H]21 ZINC000162789049 893192763 /nfs/dbraw/zinc/19/27/63/893192763.db2.gz WGASOYYJFVLNPH-DXIQSLLYSA-N 1 3 377.532 3.572 20 0 GHADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC[C@@H]21 ZINC000162789049 893192771 /nfs/dbraw/zinc/19/27/71/893192771.db2.gz WGASOYYJFVLNPH-DXIQSLLYSA-N 1 3 377.532 3.572 20 0 GHADHO C[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1nc(Br)ccc1F ZINC000925301323 893478108 /nfs/dbraw/zinc/47/81/08/893478108.db2.gz SLSPBYGBYSYQBA-CYBMUJFWSA-N 1 3 393.304 3.945 20 0 GHADHO COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000563659256 894034169 /nfs/dbraw/zinc/03/41/69/894034169.db2.gz ZMCFKFRTFYQUQC-QPTUXGOLSA-N 1 3 380.532 3.681 20 0 GHADHO COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000563659256 894034189 /nfs/dbraw/zinc/03/41/89/894034189.db2.gz ZMCFKFRTFYQUQC-QPTUXGOLSA-N 1 3 380.532 3.681 20 0 GHADHO CN(C)[C@@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1cccs1 ZINC000537167122 894476704 /nfs/dbraw/zinc/47/67/04/894476704.db2.gz RZWDHSLDBSIXOC-MOPGFXCFSA-N 1 3 385.577 3.929 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)cc2)CC1 ZINC001135596667 894853147 /nfs/dbraw/zinc/85/31/47/894853147.db2.gz GPMNAWHAOIGSAJ-QFIPXVFZSA-N 1 3 384.568 3.564 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc2)CC1 ZINC001135596667 894853161 /nfs/dbraw/zinc/85/31/61/894853161.db2.gz GPMNAWHAOIGSAJ-QFIPXVFZSA-N 1 3 384.568 3.564 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000564619168 895127503 /nfs/dbraw/zinc/12/75/03/895127503.db2.gz PXPDFTXTLPXLDT-GOTSBHOMSA-N 1 3 383.580 3.752 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847235 895280463 /nfs/dbraw/zinc/28/04/63/895280463.db2.gz KZDGEAOOWBZLNU-XUZZJYLKSA-N 1 3 396.575 3.864 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847235 895280474 /nfs/dbraw/zinc/28/04/74/895280474.db2.gz KZDGEAOOWBZLNU-XUZZJYLKSA-N 1 3 396.575 3.864 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847235 895280488 /nfs/dbraw/zinc/28/04/88/895280488.db2.gz KZDGEAOOWBZLNU-XUZZJYLKSA-N 1 3 396.575 3.864 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccco3)Cc3ccco3)CC2)CC1 ZINC000565179313 895443887 /nfs/dbraw/zinc/44/38/87/895443887.db2.gz SKQCIWQDGGOTGM-UHFFFAOYSA-N 1 3 399.535 3.598 20 0 GHADHO O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000817893220 895951712 /nfs/dbraw/zinc/95/17/12/895951712.db2.gz FQMBUIWVFACWBD-QWFCFKBJSA-N 1 3 393.314 3.872 20 0 GHADHO N[C@@H](CCC[NH3+])Nc1cc2ccc1CCc1ccc(c(Br)c1)CC2 ZINC001170905811 896214482 /nfs/dbraw/zinc/21/44/82/896214482.db2.gz WJSRVDUKQUJOOV-HXUWFJFHSA-N 1 3 388.353 3.769 20 0 GHADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444234 896317426 /nfs/dbraw/zinc/31/74/26/896317426.db2.gz LCVCYYMWNGDLLF-SYNHAJSKSA-N 1 3 397.485 3.546 20 0 GHADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444234 896317439 /nfs/dbraw/zinc/31/74/39/896317439.db2.gz LCVCYYMWNGDLLF-SYNHAJSKSA-N 1 3 397.485 3.546 20 0 GHADHO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000819321430 896612026 /nfs/dbraw/zinc/61/20/26/896612026.db2.gz HKQRZFNTEYEEIC-NZQKXSOJSA-N 1 3 398.547 3.629 20 0 GHADHO C[C@@H](CN1CCC(C[NH+]2CCN(C)CC2)CC1)c1cccc(Br)c1 ZINC000567243307 897001579 /nfs/dbraw/zinc/00/15/79/897001579.db2.gz FRVAEVCPSCWPGR-KRWDZBQOSA-N 1 3 394.401 3.512 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000567581716 897270284 /nfs/dbraw/zinc/27/02/84/897270284.db2.gz NCNCHTDTTYVXKH-NIJXNBFTSA-N 1 3 394.559 3.536 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(C)c(F)c3)CC2)CC1 ZINC000568215472 897681161 /nfs/dbraw/zinc/68/11/61/897681161.db2.gz WRCOBWPKKVYSQT-QGZVFWFLSA-N 1 3 375.532 3.508 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1c[nH]c3ncccc13)c1ccccc1O2 ZINC000568946291 898230815 /nfs/dbraw/zinc/23/08/15/898230815.db2.gz CCQLYWDRKPLGGQ-FQEVSTJZSA-N 1 3 376.504 3.683 20 0 GHADHO CCCN1CCC([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 ZINC000289556510 914238806 /nfs/dbraw/zinc/23/88/06/914238806.db2.gz ACXAWGXDUGNUBE-UHFFFAOYSA-N 1 3 382.430 3.805 20 0 GHADHO Cn1cc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646622 914277675 /nfs/dbraw/zinc/27/76/75/914277675.db2.gz MOSNHKMPBWRVSN-DEOSSOPVSA-N 1 3 387.531 3.580 20 0 GHADHO Cn1cc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646622 914277691 /nfs/dbraw/zinc/27/76/91/914277691.db2.gz MOSNHKMPBWRVSN-DEOSSOPVSA-N 1 3 387.531 3.580 20 0 GHADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000569673829 898873926 /nfs/dbraw/zinc/87/39/26/898873926.db2.gz SGQRKNDHGUHOPH-DNQXCXABSA-N 1 3 396.579 3.575 20 0 GHADHO Cc1cc(F)ccc1-c1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000570551561 899380985 /nfs/dbraw/zinc/38/09/85/899380985.db2.gz HOUQZOWVKBBNKD-UHFFFAOYSA-N 1 3 385.527 3.854 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccc(SC)cc3)CC2)CC1 ZINC000570863131 899648628 /nfs/dbraw/zinc/64/86/28/899648628.db2.gz WDIKXFAYWGTGHX-KRWDZBQOSA-N 1 3 389.609 3.782 20 0 GHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c2ccccc21 ZINC000572832611 900285077 /nfs/dbraw/zinc/28/50/77/900285077.db2.gz NZRSNJUTTOCKEH-BKTGTZMESA-N 1 3 377.410 3.898 20 0 GHADHO COc1cccc(CC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1OC ZINC000573421976 900508717 /nfs/dbraw/zinc/50/87/17/900508717.db2.gz NWWMKIBCKFVGNZ-FQEVSTJZSA-N 1 3 396.531 3.824 20 0 GHADHO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886504010 901092219 /nfs/dbraw/zinc/09/22/19/901092219.db2.gz NUOOEEGHMQEKDS-NNWRFLSQSA-N 1 3 383.580 3.666 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000575409669 901226056 /nfs/dbraw/zinc/22/60/56/901226056.db2.gz UUJXAGFJQVNCTJ-ICSRJNTNSA-N 1 3 399.922 3.592 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccco1 ZINC000576369621 901979542 /nfs/dbraw/zinc/97/95/42/901979542.db2.gz QHYQRTCVSCKLPF-CEWLAPEOSA-N 1 3 398.551 3.845 20 0 GHADHO [NH3+]CCCCCCN1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000846219628 902795914 /nfs/dbraw/zinc/79/59/14/902795914.db2.gz DDENHHYTHNITGT-UHFFFAOYSA-N 1 3 376.545 3.586 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000779033445 903268560 /nfs/dbraw/zinc/26/85/60/903268560.db2.gz MFVZGWATJGFSCD-YSTOQKLRSA-N 1 3 397.604 3.549 20 0 GHADHO CC(C)CCc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000579670646 904796072 /nfs/dbraw/zinc/79/60/72/904796072.db2.gz UQKJLPYHKXDPQG-UHFFFAOYSA-N 1 3 386.584 3.955 20 0 GHADHO Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)CC2 ZINC001171522508 904801402 /nfs/dbraw/zinc/80/14/02/904801402.db2.gz WWRQBFGQKLWKIW-KRWDZBQOSA-N 1 3 389.465 3.858 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CC1(C)C ZINC001171635012 904922487 /nfs/dbraw/zinc/92/24/87/904922487.db2.gz KQDQUAIJPMDINU-XMMPIXPASA-N 1 3 398.595 3.690 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CC1(C)C ZINC001171635012 904922493 /nfs/dbraw/zinc/92/24/93/904922493.db2.gz KQDQUAIJPMDINU-XMMPIXPASA-N 1 3 398.595 3.690 20 0 GHADHO CCOC(=O)c1coc(C2CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)n1 ZINC001171640632 904930246 /nfs/dbraw/zinc/93/02/46/904930246.db2.gz HRJQPWQSFFTUKB-UHFFFAOYSA-N 1 3 377.529 3.682 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1(C)C ZINC001171641716 904932245 /nfs/dbraw/zinc/93/22/45/904932245.db2.gz UPZOPIDTOSSUMH-AWEZNQCLSA-N 1 3 386.462 3.600 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1(C)C ZINC001171641716 904932249 /nfs/dbraw/zinc/93/22/49/904932249.db2.gz UPZOPIDTOSSUMH-AWEZNQCLSA-N 1 3 386.462 3.600 20 0 GHADHO C[C@@H]1C[C@@H](N[C@H](C[NH3+])c2ccc(Br)cc2)CN1Cc1ccccc1 ZINC001171731618 904958782 /nfs/dbraw/zinc/95/87/82/904958782.db2.gz CHJDBDYNDSCZBC-CDHQVMDDSA-N 1 3 388.353 3.702 20 0 GHADHO C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CN1Cc1ccccc1 ZINC001171762687 905000303 /nfs/dbraw/zinc/00/03/03/905000303.db2.gz LHXHGGXOHQUSHQ-HVHOJJEHSA-N 1 3 375.560 3.713 20 0 GHADHO CC1(C)C[C@@H](N[C@@H]2CCN(Cc3ccccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171977496 905223323 /nfs/dbraw/zinc/22/33/23/905223323.db2.gz BRDYDNGFWNAAMA-JTHBVZDNSA-N 1 3 378.564 3.689 20 0 GHADHO CC1(C)C[C@@H](N[C@@H]2CCN(Cc3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977496 905223333 /nfs/dbraw/zinc/22/33/33/905223333.db2.gz BRDYDNGFWNAAMA-JTHBVZDNSA-N 1 3 378.564 3.689 20 0 GHADHO O=C1CCCN1C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172084576 905299464 /nfs/dbraw/zinc/29/94/64/905299464.db2.gz YVHBJQUWBRCEJI-JKHIJQBDSA-N 1 3 381.564 3.659 20 0 GHADHO O=C1CCCN1C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172084576 905299481 /nfs/dbraw/zinc/29/94/81/905299481.db2.gz YVHBJQUWBRCEJI-JKHIJQBDSA-N 1 3 381.564 3.659 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@H]2CCN(Cc4cccnc4)C2)C3)cc1 ZINC001172064318 905327077 /nfs/dbraw/zinc/32/70/77/905327077.db2.gz AAXVALNYZRHLTG-JBXUNAHCSA-N 1 3 390.575 3.831 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@H]2CCN(Cc4cccnc4)C2)C3)cc1 ZINC001172064318 905327096 /nfs/dbraw/zinc/32/70/96/905327096.db2.gz AAXVALNYZRHLTG-JBXUNAHCSA-N 1 3 390.575 3.831 20 0 GHADHO COCCCN1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2Cl)N(C)C)CC1 ZINC001172246716 905445468 /nfs/dbraw/zinc/44/54/68/905445468.db2.gz QUCNQWAHBWAZKF-IBGZPJMESA-N 1 3 388.383 3.687 20 0 GHADHO CN(C)C(=O)C1CC[NH+](C2CCN([C@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172560797 905623376 /nfs/dbraw/zinc/62/33/76/905623376.db2.gz KNRMTOIBWCMYAN-GGAORHGYSA-N 1 3 383.580 3.587 20 0 GHADHO c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001172561145 905625098 /nfs/dbraw/zinc/62/50/98/905625098.db2.gz OHYXFQLGUOUUAQ-ZKGSSEMHSA-N 1 3 391.559 3.941 20 0 GHADHO c1ccc([C@@H]2CC[C@H]([N@@H+]3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001172561145 905625109 /nfs/dbraw/zinc/62/51/09/905625109.db2.gz OHYXFQLGUOUUAQ-ZKGSSEMHSA-N 1 3 391.559 3.941 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2CCC[C@H]2CN)CCN1C(=O)OC(C)(C)C ZINC001172580260 905681185 /nfs/dbraw/zinc/68/11/85/905681185.db2.gz JASQOECFRHJMOY-WSTZPKSXSA-N 1 3 391.531 3.998 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2CCC[C@H]2CN)CCN1C(=O)OC(C)(C)C ZINC001172580260 905681188 /nfs/dbraw/zinc/68/11/88/905681188.db2.gz JASQOECFRHJMOY-WSTZPKSXSA-N 1 3 391.531 3.998 20 0 GHADHO CO[C@@H]1CCC[C@@H]([NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001172933932 906002517 /nfs/dbraw/zinc/00/25/17/906002517.db2.gz CCFCEQOAWWAPTO-CEXWTWQISA-N 1 3 378.582 3.761 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(CCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000628316072 906048409 /nfs/dbraw/zinc/04/84/09/906048409.db2.gz IAMPIVLAXCYCNU-UHFFFAOYSA-N 1 3 383.502 3.740 20 0 GHADHO CCN1CCC([N@H+]2CCCN(CCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000628316072 906048434 /nfs/dbraw/zinc/04/84/34/906048434.db2.gz IAMPIVLAXCYCNU-UHFFFAOYSA-N 1 3 383.502 3.740 20 0 GHADHO COc1cccc(C2(N)CC[NH+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001172958832 906065212 /nfs/dbraw/zinc/06/52/12/906065212.db2.gz YUHVIIXGHFWVGZ-QGZVFWFLSA-N 1 3 391.556 3.591 20 0 GHADHO C[NH+](C)CC[C@@H](NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC001172993150 906103537 /nfs/dbraw/zinc/10/35/37/906103537.db2.gz HZBQZIGIFBZGDL-JOCHJYFZSA-N 1 3 383.511 3.713 20 0 GHADHO CCNC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000180108194 906692007 /nfs/dbraw/zinc/69/20/07/906692007.db2.gz XDRXRJOTEYUTDW-NOTZXAQLSA-N 1 3 377.532 3.722 20 0 GHADHO [NH3+]C1(CC2CC2)CCN(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC001173773728 906698403 /nfs/dbraw/zinc/69/84/03/906698403.db2.gz UMRYBZNBPLHNPX-UHFFFAOYSA-N 1 3 393.934 3.677 20 0 GHADHO CN(C)Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000180417220 906762903 /nfs/dbraw/zinc/76/29/03/906762903.db2.gz VNFOVVKYYNPWIS-UHFFFAOYSA-N 1 3 380.536 3.531 20 0 GHADHO CN1CCN(c2ccc(Nc3ccc(OC4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC001174813176 907245203 /nfs/dbraw/zinc/24/52/03/907245203.db2.gz BGAQPEZVQCKRGS-UHFFFAOYSA-N 1 3 380.536 3.655 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2COc3c(C)cccc3C2)CC1 ZINC001178851083 909262413 /nfs/dbraw/zinc/26/24/13/909262413.db2.gz FXDLJXVCGRXFHE-QFIPXVFZSA-N 1 3 379.548 3.620 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)NC2CCN(CCOC(C)C)CC2)cc1)C(C)C ZINC000267005396 909364781 /nfs/dbraw/zinc/36/47/81/909364781.db2.gz PTHITJQLCRFUBQ-UHFFFAOYSA-N 1 3 389.584 3.536 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)NC2CCN(CCOC(C)C)CC2)cc1)C(C)C ZINC000267005396 909364790 /nfs/dbraw/zinc/36/47/90/909364790.db2.gz PTHITJQLCRFUBQ-UHFFFAOYSA-N 1 3 389.584 3.536 20 0 GHADHO CCCCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001274305831 909384175 /nfs/dbraw/zinc/38/41/75/909384175.db2.gz PQSNBQQNHRYZCJ-IRXDYDNUSA-N 1 3 377.495 3.516 20 0 GHADHO CCCCC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001274305831 909384195 /nfs/dbraw/zinc/38/41/95/909384195.db2.gz PQSNBQQNHRYZCJ-IRXDYDNUSA-N 1 3 377.495 3.516 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257708 909443604 /nfs/dbraw/zinc/44/36/04/909443604.db2.gz GGCMTLUDCQARTO-HZPDHXFCSA-N 1 3 393.494 3.544 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257708 909443616 /nfs/dbraw/zinc/44/36/16/909443616.db2.gz GGCMTLUDCQARTO-HZPDHXFCSA-N 1 3 393.494 3.544 20 0 GHADHO C[C@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268774015 910009086 /nfs/dbraw/zinc/00/90/86/910009086.db2.gz NACJHANLROFEFC-IBGZPJMESA-N 1 3 382.552 3.863 20 0 GHADHO O=c1c(CNCc2ccc(C[NH+]3CCCCCC3)cc2)cccn1C(F)F ZINC000638445112 910153583 /nfs/dbraw/zinc/15/35/83/910153583.db2.gz JGIFJURXYPWHJF-UHFFFAOYSA-N 1 3 375.463 3.909 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CCN2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000801923289 921631964 /nfs/dbraw/zinc/63/19/64/921631964.db2.gz CZGWXAOODBUZGF-WOJBJXKFSA-N 1 3 379.589 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000801923289 921631969 /nfs/dbraw/zinc/63/19/69/921631969.db2.gz CZGWXAOODBUZGF-WOJBJXKFSA-N 1 3 379.589 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000801923289 921631977 /nfs/dbraw/zinc/63/19/77/921631977.db2.gz CZGWXAOODBUZGF-WOJBJXKFSA-N 1 3 379.589 3.831 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248402791 912056299 /nfs/dbraw/zinc/05/62/99/912056299.db2.gz NTMTVHDBEDZWLA-MSNJVRRCSA-N 1 3 380.532 3.619 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248402791 912056318 /nfs/dbraw/zinc/05/63/18/912056318.db2.gz NTMTVHDBEDZWLA-MSNJVRRCSA-N 1 3 380.532 3.619 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000647344740 915164054 /nfs/dbraw/zinc/16/40/54/915164054.db2.gz YGJWDTVXGNHMFF-CKUXNOBLSA-N 1 3 379.548 3.519 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000647344740 915164066 /nfs/dbraw/zinc/16/40/66/915164066.db2.gz YGJWDTVXGNHMFF-CKUXNOBLSA-N 1 3 379.548 3.519 20 0 GHADHO OC1CCN(CCOc2cccc(-c3cc(C[NH+]4CCCC4)ccc3F)c2)CC1 ZINC000649433079 916156533 /nfs/dbraw/zinc/15/65/33/916156533.db2.gz AQBVSAJNBPJROG-UHFFFAOYSA-N 1 3 398.522 3.924 20 0 GHADHO O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000649758589 916383096 /nfs/dbraw/zinc/38/30/96/916383096.db2.gz QYRJAUKTPPAUNM-ROUUACIJSA-N 1 3 384.442 3.863 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295081691 917130475 /nfs/dbraw/zinc/13/04/75/917130475.db2.gz SCYZNEWGCBSWCG-WWTUQBGBSA-N 1 3 385.430 3.517 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295081691 917130496 /nfs/dbraw/zinc/13/04/96/917130496.db2.gz SCYZNEWGCBSWCG-WWTUQBGBSA-N 1 3 385.430 3.517 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cc(Cl)ccc3OCC3CC3)C2)C1 ZINC000650707983 917245675 /nfs/dbraw/zinc/24/56/75/917245675.db2.gz RCJXEHVJGDXJDZ-LDQXTDLNSA-N 1 3 378.944 3.847 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650724859 917251657 /nfs/dbraw/zinc/25/16/57/917251657.db2.gz NOXKPHLRHDJEJL-KSEOMHKRSA-N 1 3 380.536 3.710 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cncc(OCc3ccccc3)c2)C1 ZINC000652364028 917883325 /nfs/dbraw/zinc/88/33/25/917883325.db2.gz VRIBOKNZALZGRI-MZYLBHOOSA-N 1 3 381.520 3.521 20 0 GHADHO CC(C)N1CCN(CCC[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000653848135 918549546 /nfs/dbraw/zinc/54/95/46/918549546.db2.gz UXDCVAPBWUGIQN-UHFFFAOYSA-N 1 3 385.474 3.580 20 0 GHADHO Fc1ccc(-c2cn3c(n2)CC[C@H](NC2C[C@H]4CC[C@@H](C2)[N@H+]4C2CC2)C3)c(F)c1 ZINC000903187736 922841523 /nfs/dbraw/zinc/84/15/23/922841523.db2.gz WHKPCVZVFUHXDS-WELJNPPOSA-N 1 3 398.501 3.891 20 0 GHADHO Fc1ccc(-c2cn3c(n2)CC[C@H](NC2C[C@H]4CC[C@@H](C2)[N@@H+]4C2CC2)C3)c(F)c1 ZINC000903187736 922841540 /nfs/dbraw/zinc/84/15/40/922841540.db2.gz WHKPCVZVFUHXDS-WELJNPPOSA-N 1 3 398.501 3.891 20 0 GHADHO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000903956025 923434906 /nfs/dbraw/zinc/43/49/06/923434906.db2.gz FKYKZNXKBMIMIF-QGZVFWFLSA-N 1 3 392.494 3.648 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001137280380 924210762 /nfs/dbraw/zinc/21/07/62/924210762.db2.gz QAZRDXFVJJZHDP-DNVJHFABSA-N 1 3 383.580 3.764 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001137280380 924210771 /nfs/dbraw/zinc/21/07/71/924210771.db2.gz QAZRDXFVJJZHDP-DNVJHFABSA-N 1 3 383.580 3.764 20 0 GHADHO Cc1cccc2nc(C[NH+]3CCC4(CC3)CN(Cc3cccs3)CCO4)cn21 ZINC001137296889 924351701 /nfs/dbraw/zinc/35/17/01/924351701.db2.gz RKULGVLGPYXPFU-UHFFFAOYSA-N 1 3 396.560 3.571 20 0 GHADHO Cc1ccc(SCC[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1C ZINC000677737629 924473110 /nfs/dbraw/zinc/47/31/10/924473110.db2.gz JJROUVGINBQETG-UHFFFAOYSA-N 1 3 375.626 3.886 20 0 GHADHO C[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804575 924504481 /nfs/dbraw/zinc/50/44/81/924504481.db2.gz HDLCLMPXMJSFFP-GHTZIAJQSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804575 924504487 /nfs/dbraw/zinc/50/44/87/924504487.db2.gz HDLCLMPXMJSFFP-GHTZIAJQSA-N 1 3 375.520 3.971 20 0 GHADHO CCN(CC)[C@H](CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1)c1ccsc1 ZINC000827023788 924585110 /nfs/dbraw/zinc/58/51/10/924585110.db2.gz LERFONDCHOTSNN-DLBZAZTESA-N 1 3 394.972 3.694 20 0 GHADHO C[C@@H]1C[C@H](N(C)Cc2ccccc2-n2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000678259976 924693159 /nfs/dbraw/zinc/69/31/59/924693159.db2.gz OKYPHCZFRWZWLG-DENIHFKCSA-N 1 3 375.520 3.752 20 0 GHADHO C[C@@H]1C[C@H](N(C)Cc2ccccc2-n2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000678259976 924693160 /nfs/dbraw/zinc/69/31/60/924693160.db2.gz OKYPHCZFRWZWLG-DENIHFKCSA-N 1 3 375.520 3.752 20 0 GHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000678414586 924761308 /nfs/dbraw/zinc/76/13/08/924761308.db2.gz VARDUDDKQOJOTA-NRFANRHFSA-N 1 3 380.580 3.947 20 0 GHADHO C[NH+](C)CCOc1cc(CN[C@H]2CCc3cc(Br)ccc32)ccn1 ZINC000678609818 924837921 /nfs/dbraw/zinc/83/79/21/924837921.db2.gz XPVMHFVEOVGNMH-SFHVURJKSA-N 1 3 390.325 3.562 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1n[nH]c3ccccc31)CC2 ZINC001137345910 924896051 /nfs/dbraw/zinc/89/60/51/924896051.db2.gz COTKCSDNEDZQMN-UHFFFAOYSA-N 1 3 375.520 3.835 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1n[nH]c3ccccc31)CC2 ZINC001137345910 924896061 /nfs/dbraw/zinc/89/60/61/924896061.db2.gz COTKCSDNEDZQMN-UHFFFAOYSA-N 1 3 375.520 3.835 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000410373709 925585970 /nfs/dbraw/zinc/58/59/70/925585970.db2.gz RCQYOPUAGLFLSG-HXUWFJFHSA-N 1 3 398.595 3.831 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000410373709 925585977 /nfs/dbraw/zinc/58/59/77/925585977.db2.gz RCQYOPUAGLFLSG-HXUWFJFHSA-N 1 3 398.595 3.831 20 0 GHADHO CC(C)COc1ccc(C(C)(C)NCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411465614 926416281 /nfs/dbraw/zinc/41/62/81/926416281.db2.gz XXWWTDBMPIUJNJ-UHFFFAOYSA-N 1 3 389.584 3.535 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000411549825 926511543 /nfs/dbraw/zinc/51/15/43/926511543.db2.gz ICPPKUARWVVJTM-KNQAVFIVSA-N 1 3 397.563 3.895 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000411549825 926511551 /nfs/dbraw/zinc/51/15/51/926511551.db2.gz ICPPKUARWVVJTM-KNQAVFIVSA-N 1 3 397.563 3.895 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000411788234 926773258 /nfs/dbraw/zinc/77/32/58/926773258.db2.gz GJCVSYSXXWCPSS-KURKYZTESA-N 1 3 375.582 3.744 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000749587282 927203811 /nfs/dbraw/zinc/20/38/11/927203811.db2.gz HENFLHZGKNIVQR-FBBABVLZSA-N 1 3 387.568 3.585 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000749587282 927203828 /nfs/dbraw/zinc/20/38/28/927203828.db2.gz HENFLHZGKNIVQR-FBBABVLZSA-N 1 3 387.568 3.585 20 0 GHADHO CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000781424749 930840624 /nfs/dbraw/zinc/84/06/24/930840624.db2.gz YOXUEYPDJAPBEI-ACIOBRDBSA-N 1 3 399.579 3.886 20 0 GHADHO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000547509031 931081063 /nfs/dbraw/zinc/08/10/63/931081063.db2.gz RYMHIGABPMNQKP-PGRDOPGGSA-N 1 3 381.520 3.524 20 0 GHADHO c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc(OC[C@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022255 931101062 /nfs/dbraw/zinc/10/10/62/931101062.db2.gz MGTRIHBJOWNOGT-GIFXNVAJSA-N 1 3 392.543 3.808 20 0 GHADHO c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc(OC[C@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022255 931101067 /nfs/dbraw/zinc/10/10/67/931101067.db2.gz MGTRIHBJOWNOGT-GIFXNVAJSA-N 1 3 392.543 3.808 20 0 GHADHO C[C@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccnn1C1CCC1 ZINC000924963860 931596408 /nfs/dbraw/zinc/59/64/08/931596408.db2.gz MSHVPSDFABHMGD-IRXDYDNUSA-N 1 3 385.531 3.911 20 0 GHADHO CN1CCC([N@@H+]2CC[C@H](N[C@H](c3cccc(Cl)c3)c3ccccn3)C2)CC1 ZINC000925040957 931622035 /nfs/dbraw/zinc/62/20/35/931622035.db2.gz LRWHNFTVWVCTGY-SIKLNZKXSA-N 1 3 384.955 3.583 20 0 GHADHO CN1CCC([N@H+]2CC[C@H](N[C@H](c3cccc(Cl)c3)c3ccccn3)C2)CC1 ZINC000925040957 931622044 /nfs/dbraw/zinc/62/20/44/931622044.db2.gz LRWHNFTVWVCTGY-SIKLNZKXSA-N 1 3 384.955 3.583 20 0 GHADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)CC2)cs1 ZINC000925572485 931826854 /nfs/dbraw/zinc/82/68/54/931826854.db2.gz JBPWMQABQYIMTO-NHCUHLMSSA-N 1 3 390.641 3.675 20 0 GHADHO Cc1nc(-c2cc([C@@H](C)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)cs2)cs1 ZINC000925855396 931923606 /nfs/dbraw/zinc/92/36/06/931923606.db2.gz UTJCVHTZBDIVFF-IUODEOHRSA-N 1 3 391.562 3.516 20 0 GHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)(C2CC2)CC1 ZINC000558471208 932021224 /nfs/dbraw/zinc/02/12/24/932021224.db2.gz NWISDQJLRWWYRN-LJQANCHMSA-N 1 3 383.580 3.668 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1coc2ccccc21 ZINC000926595907 932241028 /nfs/dbraw/zinc/24/10/28/932241028.db2.gz QMMPJVDMGLLYIU-QGZVFWFLSA-N 1 3 391.515 3.981 20 0 GHADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879947 932334569 /nfs/dbraw/zinc/33/45/69/932334569.db2.gz MZOQXHFSQYDQJS-ABGQGECKSA-N 1 3 376.488 3.897 20 0 GHADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879947 932334576 /nfs/dbraw/zinc/33/45/76/932334576.db2.gz MZOQXHFSQYDQJS-ABGQGECKSA-N 1 3 376.488 3.897 20 0 GHADHO Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc(Cl)n1 ZINC000797600416 932340665 /nfs/dbraw/zinc/34/06/65/932340665.db2.gz UBFJIWIQLUOMBF-HNNXBMFYSA-N 1 3 376.907 3.785 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000927293885 932487983 /nfs/dbraw/zinc/48/79/83/932487983.db2.gz WKBVWOUCKAXRDN-UHFFFAOYSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@@]1(CNC(=O)c2cccc(CN3CCCC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000799014930 932853477 /nfs/dbraw/zinc/85/34/77/932853477.db2.gz LZLWPMLCUIZUCC-VWLOTQADSA-N 1 3 391.559 3.924 20 0 GHADHO C[C@@]1(CNC(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014930 932853481 /nfs/dbraw/zinc/85/34/81/932853481.db2.gz LZLWPMLCUIZUCC-VWLOTQADSA-N 1 3 391.559 3.924 20 0 GHADHO CCNC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000560543481 933328910 /nfs/dbraw/zinc/32/89/10/933328910.db2.gz IHFMDGGUBGZRHJ-FDFHNCONSA-N 1 3 383.580 3.573 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)CC1 ZINC000560611137 933386054 /nfs/dbraw/zinc/38/60/54/933386054.db2.gz GEIBZTBUPWKKMF-QHCPKHFHSA-N 1 3 383.580 3.610 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)CC1 ZINC000560611137 933386060 /nfs/dbraw/zinc/38/60/60/933386060.db2.gz GEIBZTBUPWKKMF-QHCPKHFHSA-N 1 3 383.580 3.610 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C)C3(CCC3)C2)CC1 ZINC000560822948 933589250 /nfs/dbraw/zinc/58/92/50/933589250.db2.gz JYKSAWKJMSTZNP-FQEVSTJZSA-N 1 3 383.580 3.588 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(C[C@H]4C[C@@H]4c4ccccc4)CC3)C2)cc1 ZINC000561963432 934590115 /nfs/dbraw/zinc/59/01/15/934590115.db2.gz NPCZMVZQVSWDCR-DSNGMDLFSA-N 1 3 375.560 3.682 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(C[C@H]4C[C@@H]4c4ccccc4)CC3)C2)cc1 ZINC000561963432 934590119 /nfs/dbraw/zinc/59/01/19/934590119.db2.gz NPCZMVZQVSWDCR-DSNGMDLFSA-N 1 3 375.560 3.682 20 0 GHADHO C[C@@H]1C[C@@H](CCN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000545473502 1015913241 /nfs/dbraw/zinc/91/32/41/1015913241.db2.gz MICQQFUDTAQABN-ZNLUXHQJSA-N 1 3 399.966 3.627 20 0 GHADHO C[C@@H]1C[C@@H](CCN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000545473502 1015913248 /nfs/dbraw/zinc/91/32/48/1015913248.db2.gz MICQQFUDTAQABN-ZNLUXHQJSA-N 1 3 399.966 3.627 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CCN1CCOCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470950402 1016928725 /nfs/dbraw/zinc/92/87/25/1016928725.db2.gz XUTJLCGFYJVAHQ-SYQHCUMBSA-N 1 3 376.385 3.548 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CCN1CCOCC[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470950402 1016928726 /nfs/dbraw/zinc/92/87/26/1016928726.db2.gz XUTJLCGFYJVAHQ-SYQHCUMBSA-N 1 3 376.385 3.548 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOCCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470950402 1016928730 /nfs/dbraw/zinc/92/87/30/1016928730.db2.gz XUTJLCGFYJVAHQ-SYQHCUMBSA-N 1 3 376.385 3.548 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOCCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470950402 1016928734 /nfs/dbraw/zinc/92/87/34/1016928734.db2.gz XUTJLCGFYJVAHQ-SYQHCUMBSA-N 1 3 376.385 3.548 20 0 GHADHO O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001221248184 1032347546 /nfs/dbraw/zinc/34/75/46/1032347546.db2.gz MLABULCLJMPIRV-DENIHFKCSA-N 1 3 389.971 3.591 20 0 GHADHO Cc1csc2sc(CN3CCC[C@@]34CCN(CC[NH+](C)C)C4=O)c(C)c12 ZINC001277201126 1032381474 /nfs/dbraw/zinc/38/14/74/1032381474.db2.gz PWCPTXNFEYSRNY-FQEVSTJZSA-N 1 3 391.606 3.708 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC001227447812 1032423810 /nfs/dbraw/zinc/42/38/10/1032423810.db2.gz VJZFFNZAUQOLBP-FPOVZHCZSA-N 1 3 388.600 3.516 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)[NH+](C)C)cc1 ZINC001221536804 1032452723 /nfs/dbraw/zinc/45/27/23/1032452723.db2.gz CSBNMPHEEIABNB-VTLFHKLASA-N 1 3 386.584 3.504 20 0 GHADHO Cc1ccc([C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc2)c(C)c1 ZINC000925853082 1017162916 /nfs/dbraw/zinc/16/29/16/1017162916.db2.gz DVBVRRPSDGOVPJ-RBBKRZOGSA-N 1 3 378.516 3.668 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000558306410 1017167746 /nfs/dbraw/zinc/16/77/46/1017167746.db2.gz GGUIXDUDYRNDNC-HXUWFJFHSA-N 1 3 379.548 3.535 20 0 GHADHO C(CN1CCC[C@H](C2CCOCC2)C1)C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933080422 1018839083 /nfs/dbraw/zinc/83/90/83/1018839083.db2.gz DKSHLBAAWSNPJW-ZRZAMGCNSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@H](C2CCOCC2)C1)C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933080422 1018839105 /nfs/dbraw/zinc/83/91/05/1018839105.db2.gz DKSHLBAAWSNPJW-ZRZAMGCNSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@@H](C2CCOCC2)C1)C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933080422 1018839123 /nfs/dbraw/zinc/83/91/23/1018839123.db2.gz DKSHLBAAWSNPJW-ZRZAMGCNSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@@H](C2CCOCC2)C1)C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933080422 1018839145 /nfs/dbraw/zinc/83/91/45/1018839145.db2.gz DKSHLBAAWSNPJW-ZRZAMGCNSA-N 1 3 378.601 3.654 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1)c1ccco1 ZINC001228188706 1032829186 /nfs/dbraw/zinc/82/91/86/1032829186.db2.gz DNDBZSCRXWXYAE-UFYCRDLUSA-N 1 3 392.588 3.909 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC1CC[NH+](C(C)C)CC1)c1ccco1 ZINC001228189309 1032831865 /nfs/dbraw/zinc/83/18/65/1032831865.db2.gz HMWKBZWDCJDRRM-HKUYNNGSSA-N 1 3 378.561 3.519 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC3CC3)c3ccc(OC)cc3)CC2)CC1 ZINC000576767781 1020061636 /nfs/dbraw/zinc/06/16/36/1020061636.db2.gz QNJWDLUQSMKGFY-UHFFFAOYSA-N 1 3 399.579 3.635 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cc(C)c(C)o1)CC2 ZINC001204532737 1032954460 /nfs/dbraw/zinc/95/44/60/1032954460.db2.gz CYXMXBYNVITRFJ-NRFANRHFSA-N 1 3 383.536 3.795 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cc(C)c(C)o1)CC2 ZINC001204532737 1032954469 /nfs/dbraw/zinc/95/44/69/1032954469.db2.gz CYXMXBYNVITRFJ-NRFANRHFSA-N 1 3 383.536 3.795 20 0 GHADHO c1cn(-c2ncccc2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000834508285 1021231705 /nfs/dbraw/zinc/23/17/05/1021231705.db2.gz KQEGERYHSUAFRH-VJBWXMMDSA-N 1 3 387.531 3.800 20 0 GHADHO c1cn(-c2ncccc2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000834508288 1021231818 /nfs/dbraw/zinc/23/18/18/1021231818.db2.gz KQEGERYHSUAFRH-XPWALMASSA-N 1 3 387.531 3.800 20 0 GHADHO c1ccc(CN2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834586138 1021283434 /nfs/dbraw/zinc/28/34/34/1021283434.db2.gz ZBEHTNKRKWRKAN-QORCZRPOSA-N 1 3 397.607 3.663 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001140385321 1021538478 /nfs/dbraw/zinc/53/84/78/1021538478.db2.gz BWRBLZHGSZBRPA-LJQANCHMSA-N 1 3 396.560 3.880 20 0 GHADHO Cc1ccc([C@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000754670640 1022822895 /nfs/dbraw/zinc/82/28/95/1022822895.db2.gz XEPPVECMTSDMKI-ZWKOTPCHSA-N 1 3 385.577 3.876 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3ccc(SC(F)F)cc3)CC2)CC1 ZINC000755237397 1023148358 /nfs/dbraw/zinc/14/83/58/1023148358.db2.gz WSGPTWFORWTYNO-UHFFFAOYSA-N 1 3 383.552 3.851 20 0 GHADHO O=C(c1ccc(F)cc1)C1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001204896156 1033151234 /nfs/dbraw/zinc/15/12/34/1033151234.db2.gz IHUBTXIJSCRPMH-UHFFFAOYSA-N 1 3 391.490 3.979 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC001141182837 1024028380 /nfs/dbraw/zinc/02/83/80/1024028380.db2.gz JZZDBTJYVGIIOA-RCZVLFRGSA-N 1 3 398.591 3.971 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC001141182837 1024028394 /nfs/dbraw/zinc/02/83/94/1024028394.db2.gz JZZDBTJYVGIIOA-RCZVLFRGSA-N 1 3 398.591 3.971 20 0 GHADHO Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc(Cl)n1 ZINC000830987468 1024289369 /nfs/dbraw/zinc/28/93/69/1024289369.db2.gz DRDAUGMSTCJNLZ-SJORKVTESA-N 1 3 395.334 3.506 20 0 GHADHO Cc1cc([C@H](N)CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc(Cl)n1 ZINC000831870773 1024958395 /nfs/dbraw/zinc/95/83/95/1024958395.db2.gz DNPFUEPEUVFUGW-LJQANCHMSA-N 1 3 386.927 3.710 20 0 GHADHO CCOC(=O)CCN(Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138768978 1025339113 /nfs/dbraw/zinc/33/91/13/1025339113.db2.gz GBBAHEOPQQUJLQ-UHFFFAOYSA-N 1 3 384.520 3.582 20 0 GHADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]1Sc1ccccc1 ZINC000838950404 1025468199 /nfs/dbraw/zinc/46/81/99/1025468199.db2.gz NJQIYWCOIHNUTO-VXSCBNMQSA-N 1 3 390.593 3.558 20 0 GHADHO CC[NH+]1CCC(CC2CCN(Cc3c(N)c(OC)ccc3OC)CC2)CC1 ZINC001139277578 1026125432 /nfs/dbraw/zinc/12/54/32/1026125432.db2.gz DFYDTKZKFJTNEC-UHFFFAOYSA-N 1 3 375.557 3.620 20 0 GHADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(-c2ccc(OC)cc2)s1 ZINC001139287701 1026140754 /nfs/dbraw/zinc/14/07/54/1026140754.db2.gz PQWFWAFXSRWTNU-UHFFFAOYSA-N 1 3 390.549 3.741 20 0 GHADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(-c2ccc(OC)cc2)s1 ZINC001139287701 1026140758 /nfs/dbraw/zinc/14/07/58/1026140758.db2.gz PQWFWAFXSRWTNU-UHFFFAOYSA-N 1 3 390.549 3.741 20 0 GHADHO COCCN(C)[C@H](CNc1cc(C[NH+](C)C)ccn1)c1ccc(Cl)cc1 ZINC001163384942 1026170967 /nfs/dbraw/zinc/17/09/67/1026170967.db2.gz PUTDZGGWQOKJEI-LJQANCHMSA-N 1 3 376.932 3.528 20 0 GHADHO CN(CC[NH+]1CCCC1)Cc1ccccc1N1CCN(Cc2ccccc2)CC1 ZINC001139513354 1026368550 /nfs/dbraw/zinc/36/85/50/1026368550.db2.gz QHPWCSXHRYJWMT-UHFFFAOYSA-N 1 3 392.591 3.536 20 0 GHADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC001461096090 1069386650 /nfs/dbraw/zinc/38/66/50/1069386650.db2.gz NZZJTDNVNIITIF-HSALFYBXSA-N 1 3 375.576 3.789 20 0 GHADHO C[NH+](C)CCN1CCN(Cc2cccc3c4ccccc4sc32)CCC1=O ZINC001139843846 1026661421 /nfs/dbraw/zinc/66/14/21/1026661421.db2.gz KTODKHXTNPTPFW-UHFFFAOYSA-N 1 3 381.545 3.650 20 0 GHADHO CC[NH+]1CCC(CC2CCN(Cc3c[nH]c4ncnc(Cl)c34)CC2)CC1 ZINC001139940255 1026746914 /nfs/dbraw/zinc/74/69/14/1026746914.db2.gz SXFAOXLMUXSIOI-UHFFFAOYSA-N 1 3 375.948 3.897 20 0 GHADHO CN(C(=O)c1cccc(CN2CCCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000840337496 1027464979 /nfs/dbraw/zinc/46/49/79/1027464979.db2.gz XSNJJWFAEGEQFB-UHFFFAOYSA-N 1 3 395.547 3.890 20 0 GHADHO COc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc(Br)c1[O-] ZINC001204102016 1027874322 /nfs/dbraw/zinc/87/43/22/1027874322.db2.gz FPHQRVQUBODXNQ-UHFFFAOYSA-N 1 3 385.346 3.716 20 0 GHADHO COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc(Br)c1[O-] ZINC001204102016 1027874340 /nfs/dbraw/zinc/87/43/40/1027874340.db2.gz FPHQRVQUBODXNQ-UHFFFAOYSA-N 1 3 385.346 3.716 20 0 GHADHO CC1(C)Cc2cc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)ccc2O1 ZINC000840969545 1028002370 /nfs/dbraw/zinc/00/23/70/1028002370.db2.gz HYKJHYGANQGAFL-UHFFFAOYSA-N 1 3 380.532 3.517 20 0 GHADHO Cc1cccc(-c2n[nH]cc2CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC001461377790 1069524910 /nfs/dbraw/zinc/52/49/10/1069524910.db2.gz FLOIBIBXULCYNC-QHCPKHFHSA-N 1 3 390.531 3.632 20 0 GHADHO Cc1cccc(-c2n[nH]cc2CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC001461377790 1069524916 /nfs/dbraw/zinc/52/49/16/1069524916.db2.gz FLOIBIBXULCYNC-QHCPKHFHSA-N 1 3 390.531 3.632 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671842 1029475833 /nfs/dbraw/zinc/47/58/33/1029475833.db2.gz ZHCOOWYAACHIRW-SIKLNZKXSA-N 1 3 396.531 3.524 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671842 1029475835 /nfs/dbraw/zinc/47/58/35/1029475835.db2.gz ZHCOOWYAACHIRW-SIKLNZKXSA-N 1 3 396.531 3.524 20 0 GHADHO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843127068 1029817841 /nfs/dbraw/zinc/81/78/41/1029817841.db2.gz OHZPJVSXFHEJDN-IYBDPMFKSA-N 1 3 393.362 3.978 20 0 GHADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000843363653 1029941197 /nfs/dbraw/zinc/94/11/97/1029941197.db2.gz HMCPIDJACHAIOG-SFHVURJKSA-N 1 3 396.362 3.732 20 0 GHADHO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363784 1029942163 /nfs/dbraw/zinc/94/21/63/1029942163.db2.gz QEQIXQYAZFIREW-ZDUSSCGKSA-N 1 3 380.414 3.892 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426753 1029997930 /nfs/dbraw/zinc/99/79/30/1029997930.db2.gz JMGPZKIDISLMRB-PBASOCQRSA-N 1 3 387.568 3.567 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426753 1029997934 /nfs/dbraw/zinc/99/79/34/1029997934.db2.gz JMGPZKIDISLMRB-PBASOCQRSA-N 1 3 387.568 3.567 20 0 GHADHO Brc1c2ccccc2sc1CN1CCC2(CC1)C[NH2+]CCO2 ZINC001222211864 1030008558 /nfs/dbraw/zinc/00/85/58/1030008558.db2.gz OMBPXTFEXYITGT-UHFFFAOYSA-N 1 3 381.339 3.618 20 0 GHADHO CC(C)Oc1cc(CN2CCC3(CCC[NH2+]C3)CC2)c(Br)cn1 ZINC001222461391 1030147226 /nfs/dbraw/zinc/14/72/26/1030147226.db2.gz SGIVKHBUAXVBJN-UHFFFAOYSA-N 1 3 382.346 3.597 20 0 GHADHO Cc1c(I)cccc1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222461702 1030148489 /nfs/dbraw/zinc/14/84/89/1030148489.db2.gz ZGHIRVAQSUCAGA-UHFFFAOYSA-N 1 3 384.305 3.565 20 0 GHADHO C[NH+](C)Cc1ccc(-c2cnc(O[C@H]3CCNC[C@@H]3F)c3cccc(O)c32)cc1 ZINC001218070382 1030755828 /nfs/dbraw/zinc/75/58/28/1030755828.db2.gz MFUPVAHWCAULIR-FPOVZHCZSA-N 1 3 395.478 3.748 20 0 GHADHO C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC001152023579 1031078170 /nfs/dbraw/zinc/07/81/70/1031078170.db2.gz LDYMWHIBALKSRN-XZOQPEGZSA-N 1 3 379.548 3.850 20 0 GHADHO CC[N@H+](CCCC(=O)Nc1cccc2c1CNC2)[C@H](C)Cc1ccc(OC)cc1 ZINC001218993390 1031199155 /nfs/dbraw/zinc/19/91/55/1031199155.db2.gz NQSKAZXHPAYEJK-GOSISDBHSA-N 1 3 395.547 3.970 20 0 GHADHO CC[N@@H+](CCCC(=O)Nc1cccc2c1CNC2)[C@H](C)Cc1ccc(OC)cc1 ZINC001218993390 1031199163 /nfs/dbraw/zinc/19/91/63/1031199163.db2.gz NQSKAZXHPAYEJK-GOSISDBHSA-N 1 3 395.547 3.970 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001153638971 1031684030 /nfs/dbraw/zinc/68/40/30/1031684030.db2.gz ZBLYVUDFUJHSBQ-UTKZUKDTSA-N 1 3 376.504 3.541 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001153638971 1031684036 /nfs/dbraw/zinc/68/40/36/1031684036.db2.gz ZBLYVUDFUJHSBQ-UTKZUKDTSA-N 1 3 376.504 3.541 20 0 GHADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC001220384035 1031920182 /nfs/dbraw/zinc/92/01/82/1031920182.db2.gz HMZOFEAYHFCVJE-NHCUHLMSSA-N 1 3 379.548 3.989 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CCN(Cc3cccc4[nH]ccc43)CC2)C1 ZINC001205306125 1033351451 /nfs/dbraw/zinc/35/14/51/1033351451.db2.gz VIPPTHGPSKMXNM-GOSISDBHSA-N 1 3 398.551 3.731 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CCN(Cc3cccc4[nH]ccc43)CC2)C1 ZINC001205306125 1033351456 /nfs/dbraw/zinc/35/14/56/1033351456.db2.gz VIPPTHGPSKMXNM-GOSISDBHSA-N 1 3 398.551 3.731 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CC[C@H](C)[C@@H](C[NH3+])CC3)c2n1 ZINC001205638510 1033505843 /nfs/dbraw/zinc/50/58/43/1033505843.db2.gz OTFAGFQAKGDPDP-UONOGXRCSA-N 1 3 392.341 3.813 20 0 GHADHO C[NH+]1CCC(CN2CCN(c3cc(-c4ccccc4)cc(Cl)n3)CC2)CC1 ZINC001157837699 1033789588 /nfs/dbraw/zinc/78/95/88/1033789588.db2.gz FWPBPKZNQHDPRO-UHFFFAOYSA-N 1 3 384.955 3.866 20 0 GHADHO COc1cc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC001206584397 1033915115 /nfs/dbraw/zinc/91/51/15/1033915115.db2.gz YVQJIYMUFNVCCE-OAHLLOKOSA-N 1 3 385.346 3.819 20 0 GHADHO CCOc1cc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1OCCCOC ZINC001206590458 1033917560 /nfs/dbraw/zinc/91/75/60/1033917560.db2.gz MGPQQZLOXJXDNO-HXUWFJFHSA-N 1 3 378.557 3.853 20 0 GHADHO COc1cc(Br)c2cc(CN(C(C)C)[C@@H]3CCC[NH2+]CC3)[nH]c2n1 ZINC001206598107 1033919220 /nfs/dbraw/zinc/91/92/20/1033919220.db2.gz HWXKHVGLLBZFEA-CQSZACIVSA-N 1 3 395.345 3.687 20 0 GHADHO Cc1ccc(-c2csc3ncnc(N4CCC([N@@H+]5CC[C@@H](N)C5)CC4)c23)cc1 ZINC001158258536 1033991698 /nfs/dbraw/zinc/99/16/98/1033991698.db2.gz BRMOLCZQKYXFQD-QGZVFWFLSA-N 1 3 393.560 3.669 20 0 GHADHO Cc1ccc(-c2csc3ncnc(N4CCC([N@H+]5CC[C@@H](N)C5)CC4)c23)cc1 ZINC001158258536 1033991703 /nfs/dbraw/zinc/99/17/03/1033991703.db2.gz BRMOLCZQKYXFQD-QGZVFWFLSA-N 1 3 393.560 3.669 20 0 GHADHO C[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(C2CCCCC2)CC1 ZINC001207216843 1034184017 /nfs/dbraw/zinc/18/40/17/1034184017.db2.gz MTKKSTSSXOXZGB-GOSISDBHSA-N 1 3 379.589 3.972 20 0 GHADHO C[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(C2CCCCC2)CC1 ZINC001207216843 1034184029 /nfs/dbraw/zinc/18/40/29/1034184029.db2.gz MTKKSTSSXOXZGB-GOSISDBHSA-N 1 3 379.589 3.972 20 0 GHADHO CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207216843 1034184041 /nfs/dbraw/zinc/18/40/41/1034184041.db2.gz MTKKSTSSXOXZGB-GOSISDBHSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CN(CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207288029 1034239091 /nfs/dbraw/zinc/23/90/91/1034239091.db2.gz ZFRAFLSVWOMTGH-UHFFFAOYSA-N 1 3 399.579 3.841 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1cccc(C)c1)CC2 ZINC001207535040 1034439184 /nfs/dbraw/zinc/43/91/84/1034439184.db2.gz TWUOEPXNSMYOIL-XMMPIXPASA-N 1 3 393.575 3.936 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCc1ccc(Cl)cc1)C2 ZINC001207597132 1034474174 /nfs/dbraw/zinc/47/41/74/1034474174.db2.gz YUCYPFMLEAWILZ-IRLDBZIGSA-N 1 3 376.972 3.953 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCc1ccc(Cl)cc1)C2 ZINC001207597132 1034474177 /nfs/dbraw/zinc/47/41/77/1034474177.db2.gz YUCYPFMLEAWILZ-IRLDBZIGSA-N 1 3 376.972 3.953 20 0 GHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@@H](C)CC[NH+](C)C ZINC001159207608 1034484382 /nfs/dbraw/zinc/48/43/82/1034484382.db2.gz HSQCFFWGMUPCNE-GMAHTHKFSA-N 1 3 387.612 3.766 20 0 GHADHO Cc1nc2sccc2c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460741 1034605560 /nfs/dbraw/zinc/60/55/60/1034605560.db2.gz ZSJCZYXGUNICBP-UHFFFAOYSA-N 1 3 391.544 3.909 20 0 GHADHO Cc1ccc2nc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)ncc2c1 ZINC001159461302 1034607938 /nfs/dbraw/zinc/60/79/38/1034607938.db2.gz VDNDSCZIZUHJRL-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO Fc1c(CN2CCCCC2)cccc1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159570745 1034670540 /nfs/dbraw/zinc/67/05/40/1034670540.db2.gz CKQAHEIULRWBKM-UHFFFAOYSA-N 1 3 382.527 3.960 20 0 GHADHO CS[C@@H](C)CCN1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208151532 1034757644 /nfs/dbraw/zinc/75/76/44/1034757644.db2.gz WNXMXAVBQPNVQK-INIZCTEOSA-N 1 3 385.618 3.582 20 0 GHADHO CN(C)CC1(C[NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)CC3)CCCC1 ZINC001208185325 1034780792 /nfs/dbraw/zinc/78/07/92/1034780792.db2.gz AHTHQERSXAQSKG-UHFFFAOYSA-N 1 3 379.589 3.831 20 0 GHADHO CN(C)CC1(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)CCCC1 ZINC001208190565 1034785874 /nfs/dbraw/zinc/78/58/74/1034785874.db2.gz GJKXTTPQYCGWHU-WWNPGLIZSA-N 1 3 384.612 3.736 20 0 GHADHO CN(C)CC1(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)CCCC1 ZINC001208190565 1034785882 /nfs/dbraw/zinc/78/58/82/1034785882.db2.gz GJKXTTPQYCGWHU-WWNPGLIZSA-N 1 3 384.612 3.736 20 0 GHADHO CN1CCN(Cc2cccc(Nc3ccc(C[C@@H]4CCC[NH2+]C4)cc3)c2)CC1 ZINC001160265143 1034923206 /nfs/dbraw/zinc/92/32/06/1034923206.db2.gz KGHYMWFHTQGKTE-NRFANRHFSA-N 1 3 378.564 3.720 20 0 GHADHO CCN(CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1)C1COC1 ZINC001208820898 1035039043 /nfs/dbraw/zinc/03/90/43/1035039043.db2.gz PRHIOJDYORZELA-UHFFFAOYSA-N 1 3 388.552 3.575 20 0 GHADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)c2cccc([C@@H](C)[NH3+])c2)cc1 ZINC001160958355 1035106033 /nfs/dbraw/zinc/10/60/33/1035106033.db2.gz VHYLIEDIJGCBKB-GCJKJVERSA-N 1 3 395.547 3.842 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208941771 1035111131 /nfs/dbraw/zinc/11/11/31/1035111131.db2.gz NAZMSMZXYBLCDH-PZJWPPBQSA-N 1 3 387.568 3.697 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208941771 1035111134 /nfs/dbraw/zinc/11/11/34/1035111134.db2.gz NAZMSMZXYBLCDH-PZJWPPBQSA-N 1 3 387.568 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208941942 1035111287 /nfs/dbraw/zinc/11/12/87/1035111287.db2.gz NQQFVISVJYIEPX-VSKRKVRLSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208941942 1035111290 /nfs/dbraw/zinc/11/12/90/1035111290.db2.gz NQQFVISVJYIEPX-VSKRKVRLSA-N 1 3 399.579 3.697 20 0 GHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953515 1035125905 /nfs/dbraw/zinc/12/59/05/1035125905.db2.gz QMWOOOGCXPFWDT-SFTDATJTSA-N 1 3 387.568 3.840 20 0 GHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953515 1035125908 /nfs/dbraw/zinc/12/59/08/1035125908.db2.gz QMWOOOGCXPFWDT-SFTDATJTSA-N 1 3 387.568 3.840 20 0 GHADHO Cc1ccc(C[N@H+]2C[C@H]3CN(CCCCNC(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001209364352 1035255169 /nfs/dbraw/zinc/25/51/69/1035255169.db2.gz WNNNYZQNYAMIQK-OYRHEFFESA-N 1 3 387.568 3.664 20 0 GHADHO Cc1ccc(C[N@@H+]2C[C@H]3CN(CCCCNC(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001209364352 1035255176 /nfs/dbraw/zinc/25/51/76/1035255176.db2.gz WNNNYZQNYAMIQK-OYRHEFFESA-N 1 3 387.568 3.664 20 0 GHADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584843 1035265893 /nfs/dbraw/zinc/26/58/93/1035265893.db2.gz QBLDFHJPNPTVKF-GOTSBHOMSA-N 1 3 389.543 3.533 20 0 GHADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584844 1035265899 /nfs/dbraw/zinc/26/58/99/1035265899.db2.gz QBLDFHJPNPTVKF-PKTZIBPZSA-N 1 3 389.543 3.533 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001209450894 1035277188 /nfs/dbraw/zinc/27/71/88/1035277188.db2.gz VEMLVDZFSZRZAG-JOCHJYFZSA-N 1 3 379.589 3.976 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001209450894 1035277192 /nfs/dbraw/zinc/27/71/92/1035277192.db2.gz VEMLVDZFSZRZAG-JOCHJYFZSA-N 1 3 379.589 3.976 20 0 GHADHO CC(=O)Nc1nc2ccc(-c3ccccc3CN3CCC([NH3+])CC3)cc2s1 ZINC001243863501 1036309492 /nfs/dbraw/zinc/30/94/92/1036309492.db2.gz RBBQBUQKFAFCOE-UHFFFAOYSA-N 1 3 380.517 3.845 20 0 GHADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001246041734 1037154943 /nfs/dbraw/zinc/15/49/43/1037154943.db2.gz BBZYYDBPLYIYQV-LEWJYISDSA-N 1 3 392.465 3.816 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001246041734 1037154953 /nfs/dbraw/zinc/15/49/53/1037154953.db2.gz BBZYYDBPLYIYQV-LEWJYISDSA-N 1 3 392.465 3.816 20 0 GHADHO C[C@H](c1ccccc1)[N@H+](C[C@]1(O)CCCNC1)[C@@H]1CC[C@H]1OCc1ccccc1 ZINC001246058762 1037173561 /nfs/dbraw/zinc/17/35/61/1037173561.db2.gz GLBXELXYUUEJJI-HVHOJJEHSA-N 1 3 394.559 3.912 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CCCNC1)[C@@H]1CC[C@H]1OCc1ccccc1 ZINC001246058762 1037173564 /nfs/dbraw/zinc/17/35/64/1037173564.db2.gz GLBXELXYUUEJJI-HVHOJJEHSA-N 1 3 394.559 3.912 20 0 GHADHO O[C@@]1(C[NH2+]C2CCC(c3ccc(Br)cc3)CC2)CCCCNC1 ZINC001246090564 1037190992 /nfs/dbraw/zinc/19/09/92/1037190992.db2.gz BLFULMNXFBTIQC-KVZIAJEVSA-N 1 3 381.358 3.570 20 0 GHADHO Fc1ccccc1CN1CCC([NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246184283 1037226413 /nfs/dbraw/zinc/22/64/13/1037226413.db2.gz IZNQVNLIMLHMNJ-PKTZIBPZSA-N 1 3 381.539 3.743 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H](NCCC(=O)N2CCCc3ccccc32)CC[NH2+]1 ZINC001246278215 1037273757 /nfs/dbraw/zinc/27/37/57/1037273757.db2.gz LGBWLHWWFQZKCR-IFMALSPDSA-N 1 3 395.522 3.886 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246280822 1037273994 /nfs/dbraw/zinc/27/39/94/1037273994.db2.gz LKXRILBZDHVCDR-RFBJODPTSA-N 1 3 384.605 3.856 20 0 GHADHO CCCC[C@H]1C[C@@H](NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)CC[NH2+]1 ZINC001246280852 1037274317 /nfs/dbraw/zinc/27/43/17/1037274317.db2.gz LTXFLWGEULLGDE-OKYOBFRVSA-N 1 3 398.588 3.529 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@H]3CCN[C@H](Cc4ccccc4)C3)CC2)c(F)c1 ZINC001246356643 1037315324 /nfs/dbraw/zinc/31/53/24/1037315324.db2.gz VFIUFEGTOWDHNA-XZOQPEGZSA-N 1 3 399.529 3.882 20 0 GHADHO CCCC[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cc(F)c(F)c(F)c3)CC2)CCN1 ZINC001246359243 1037316997 /nfs/dbraw/zinc/31/69/97/1037316997.db2.gz MPDFDHOMHKPISS-ROUUACIJSA-N 1 3 383.502 3.969 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)c1 ZINC001246372053 1037329454 /nfs/dbraw/zinc/32/94/54/1037329454.db2.gz BUOGXMYREMMQMC-RBBKRZOGSA-N 1 3 384.495 3.823 20 0 GHADHO CCOC(=O)C1(C)CCC([NH2+]C2(Cc3ccc(F)cc3)CCNCC2)CC1 ZINC001246392209 1037353002 /nfs/dbraw/zinc/35/30/02/1037353002.db2.gz RBJSYVRVONYIOZ-UHFFFAOYSA-N 1 3 376.516 3.592 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(F)cc3)CC2)CCN1 ZINC001246400740 1037358923 /nfs/dbraw/zinc/35/89/23/1037358923.db2.gz GLUVEYZXKJFEPK-NCYKPQTJSA-N 1 3 375.532 3.767 20 0 GHADHO FC(F)(F)c1cccc(C2([NH2+][C@@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246429007 1037389345 /nfs/dbraw/zinc/38/93/45/1037389345.db2.gz FXSDSQIUMLEJKE-CABCVRRESA-N 1 3 395.391 3.557 20 0 GHADHO COC(=O)CCC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246569792 1037483490 /nfs/dbraw/zinc/48/34/90/1037483490.db2.gz DPJIEGZUPMCHPR-XZOQPEGZSA-N 1 3 380.532 3.805 20 0 GHADHO COC(=O)CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246569792 1037483498 /nfs/dbraw/zinc/48/34/98/1037483498.db2.gz DPJIEGZUPMCHPR-XZOQPEGZSA-N 1 3 380.532 3.805 20 0 GHADHO C[C@@H]1C[C@H](N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)CN1Cc1ccccc1 ZINC001246637137 1037523899 /nfs/dbraw/zinc/52/38/99/1037523899.db2.gz OQUJWCOBTMALDF-NEWSRXKRSA-N 1 3 381.486 3.798 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+]3CCCC[C@]34CCCNC4)CC[C@H]2C1 ZINC001246655287 1037529456 /nfs/dbraw/zinc/52/94/56/1037529456.db2.gz YVYWCZOGWSYCLW-LYGMZBLVSA-N 1 3 395.591 3.926 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCCC[C@]34CCCNC4)CC[C@H]2C1 ZINC001246655287 1037529469 /nfs/dbraw/zinc/52/94/69/1037529469.db2.gz YVYWCZOGWSYCLW-LYGMZBLVSA-N 1 3 395.591 3.926 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H](N3CCCC[C@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246655287 1037529482 /nfs/dbraw/zinc/52/94/82/1037529482.db2.gz YVYWCZOGWSYCLW-LYGMZBLVSA-N 1 3 395.591 3.926 20 0 GHADHO CC[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@H](CC)[NH2+]1 ZINC001246705820 1037559091 /nfs/dbraw/zinc/55/90/91/1037559091.db2.gz BCNHWSQZVACSEE-VQQMMKBISA-N 1 3 389.609 3.985 20 0 GHADHO CC[C@H]1CC(N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C[C@H](CC)[NH2+]1 ZINC001246745117 1037586088 /nfs/dbraw/zinc/58/60/88/1037586088.db2.gz MERDKSDSMOXJSC-YZVAWVHESA-N 1 3 391.531 3.532 20 0 GHADHO CC[C@@H]1CC(N2CCN[C@@H](c3cccc(Br)c3)C2)C[C@@H](CC)[NH2+]1 ZINC001246804197 1037638195 /nfs/dbraw/zinc/63/81/95/1037638195.db2.gz DYFLLQGSLIHUOM-ZHALLVOQSA-N 1 3 380.374 3.705 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246812661 1037644764 /nfs/dbraw/zinc/64/47/64/1037644764.db2.gz VPGYHHGSXPCFEF-ZHRMCQFGSA-N 1 3 381.564 3.553 20 0 GHADHO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246841123 1037668661 /nfs/dbraw/zinc/66/86/61/1037668661.db2.gz TTWOLXVSRUGDMA-WWPVKYPJSA-N 1 3 382.548 3.895 20 0 GHADHO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246841123 1037668672 /nfs/dbraw/zinc/66/86/72/1037668672.db2.gz TTWOLXVSRUGDMA-WWPVKYPJSA-N 1 3 382.548 3.895 20 0 GHADHO c1ccc(C[C@@H]2C[C@@H]([N@@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CCN2)cc1 ZINC001246910271 1037717140 /nfs/dbraw/zinc/71/71/40/1037717140.db2.gz KLULTRZVEOXQBC-NGSHPTGOSA-N 1 3 375.560 3.556 20 0 GHADHO c1ccc(C[C@@H]2C[C@@H]([N@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CCN2)cc1 ZINC001246910271 1037717161 /nfs/dbraw/zinc/71/71/61/1037717161.db2.gz KLULTRZVEOXQBC-NGSHPTGOSA-N 1 3 375.560 3.556 20 0 GHADHO Brc1ccc2c(c1)CC1(CCN([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC1)O2 ZINC001246924438 1037728966 /nfs/dbraw/zinc/72/89/66/1037728966.db2.gz SEGCAHNDKUBGLI-PIIMJCKOSA-N 1 3 391.353 3.892 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954571 1037763099 /nfs/dbraw/zinc/76/30/99/1037763099.db2.gz IGGSJABCCUMYDQ-DLBZAZTESA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954571 1037763123 /nfs/dbraw/zinc/76/31/23/1037763123.db2.gz IGGSJABCCUMYDQ-DLBZAZTESA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246954571 1037763150 /nfs/dbraw/zinc/76/31/50/1037763150.db2.gz IGGSJABCCUMYDQ-DLBZAZTESA-N 1 3 380.479 3.641 20 0 GHADHO CC[NH+]1CCC(CC2CCN(Cc3ccc(C(=O)OC)c(F)c3)CC2)CC1 ZINC001232709766 1038509464 /nfs/dbraw/zinc/50/94/64/1038509464.db2.gz VEBITVDQLYSKQN-UHFFFAOYSA-N 1 3 376.516 3.946 20 0 GHADHO Cc1ncc(F)cc1CN1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001232988503 1038752371 /nfs/dbraw/zinc/75/23/71/1038752371.db2.gz PAQHYQSKELZXAI-LJQANCHMSA-N 1 3 389.540 3.846 20 0 GHADHO Cc1ncc(F)cc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001232988503 1038752378 /nfs/dbraw/zinc/75/23/78/1038752378.db2.gz PAQHYQSKELZXAI-LJQANCHMSA-N 1 3 389.540 3.846 20 0 GHADHO Cc1c(Br)ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1C ZINC001233221833 1038982598 /nfs/dbraw/zinc/98/25/98/1038982598.db2.gz COUGQCKBLRGWLC-UHFFFAOYSA-N 1 3 394.401 3.525 20 0 GHADHO O[C@H](CCOCc1ccccc1)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001253273613 1039519527 /nfs/dbraw/zinc/51/95/27/1039519527.db2.gz WVNSLUVDSCYOML-XMMPIXPASA-N 1 3 394.559 3.552 20 0 GHADHO CC(C)Oc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001254003797 1039945841 /nfs/dbraw/zinc/94/58/41/1039945841.db2.gz SEZUYLMIMWVIPD-HBMCJLEFSA-N 1 3 390.568 3.552 20 0 GHADHO CC(C)Oc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001254003797 1039945845 /nfs/dbraw/zinc/94/58/45/1039945845.db2.gz SEZUYLMIMWVIPD-HBMCJLEFSA-N 1 3 390.568 3.552 20 0 GHADHO Cc1ccc(OC2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC001254036255 1039967255 /nfs/dbraw/zinc/96/72/55/1039967255.db2.gz GYCYCWVHDVBXOK-UHFFFAOYSA-N 1 3 394.559 3.865 20 0 GHADHO OC1(C[NH2+]CCOc2cccc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC001254050600 1039975757 /nfs/dbraw/zinc/97/57/57/1039975757.db2.gz PNVLCCDCDJSVBE-UHFFFAOYSA-N 1 3 390.527 3.835 20 0 GHADHO COc1ccc(C[N@@H+]2CC[C@]3(C2)CNCCC3(F)F)c2c(OC)cccc12 ZINC001235086283 1040574426 /nfs/dbraw/zinc/57/44/26/1040574426.db2.gz AWTCODLVLSDWOT-HXUWFJFHSA-N 1 3 376.447 3.678 20 0 GHADHO COc1ccc(C[N@H+]2CC[C@]3(C2)CNCCC3(F)F)c2c(OC)cccc12 ZINC001235086283 1040574434 /nfs/dbraw/zinc/57/44/34/1040574434.db2.gz AWTCODLVLSDWOT-HXUWFJFHSA-N 1 3 376.447 3.678 20 0 GHADHO FC(F)(F)COc1ccc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)cn1 ZINC001235094852 1040586415 /nfs/dbraw/zinc/58/64/15/1040586415.db2.gz QBSCGSLYJJUUME-UHFFFAOYSA-N 1 3 391.437 3.660 20 0 GHADHO COc1cc(CN2CCC3(CC[NH2+]C3)CC2)cc(OCc2ccccc2)c1OC ZINC001235104988 1040591414 /nfs/dbraw/zinc/59/14/14/1040591414.db2.gz ZFCADDJBGGSUQD-UHFFFAOYSA-N 1 3 396.531 3.858 20 0 GHADHO Brc1ccc(CN2CCCC[C@H]2C2CC[NH2+]CC2)c2nsnc21 ZINC001235152779 1040644813 /nfs/dbraw/zinc/64/48/13/1040644813.db2.gz BASRDHHQPGQRBN-HNNXBMFYSA-N 1 3 395.370 3.808 20 0 GHADHO Cn1nc2ccc(Br)cc2c1CN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156843 1040651036 /nfs/dbraw/zinc/65/10/36/1040651036.db2.gz RSRGCORYONDXTL-GOSISDBHSA-N 1 3 391.357 3.690 20 0 GHADHO COc1cc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)cc1O ZINC001235163059 1040655634 /nfs/dbraw/zinc/65/56/34/1040655634.db2.gz ZJZFDZYZUSEZRW-MRXNPFEDSA-N 1 3 383.330 3.517 20 0 GHADHO [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254941065 1040679991 /nfs/dbraw/zinc/67/99/91/1040679991.db2.gz PYDWHTRRRUEOME-VQFNDLOPSA-N 1 3 380.454 3.799 20 0 GHADHO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001462481686 1070291021 /nfs/dbraw/zinc/29/10/21/1070291021.db2.gz OYBRPQWTHOZJFB-YZGWKJHDSA-N 1 3 379.589 3.876 20 0 GHADHO c1ccc([C@]23CC[NH2+]C[C@@H]2CN(Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372329 1040877318 /nfs/dbraw/zinc/87/73/18/1040877318.db2.gz TYQCOUIVVISRLS-ILBGXUMGSA-N 1 3 384.527 3.897 20 0 GHADHO c1ccc([C@]23CCNC[C@@H]2C[N@H+](Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372329 1040877331 /nfs/dbraw/zinc/87/73/31/1040877331.db2.gz TYQCOUIVVISRLS-ILBGXUMGSA-N 1 3 384.527 3.897 20 0 GHADHO c1ccc([C@]23CCNC[C@@H]2C[N@@H+](Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372329 1040877362 /nfs/dbraw/zinc/87/73/62/1040877362.db2.gz TYQCOUIVVISRLS-ILBGXUMGSA-N 1 3 384.527 3.897 20 0 GHADHO c1ccc([C@]23CC[NH2+]C[C@H]2CN(Cc2ccc(-c4cncnc4)cc2)CC3)cc1 ZINC001235375174 1040886390 /nfs/dbraw/zinc/88/63/90/1040886390.db2.gz ZARDHNKHDIHLCY-LOSJGSFVSA-N 1 3 384.527 3.897 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001255197909 1040901866 /nfs/dbraw/zinc/90/18/66/1040901866.db2.gz BKVLNHBIYQUZFG-ZIBCJSCZSA-N 1 3 375.557 3.549 20 0 GHADHO CCOC(=O)C1CCC([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001255253623 1040928385 /nfs/dbraw/zinc/92/83/85/1040928385.db2.gz OCMLKMIEXHCUPE-UHFFFAOYSA-N 1 3 376.516 3.749 20 0 GHADHO COc1cc(C)c(Br)cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429621 1040931157 /nfs/dbraw/zinc/93/11/57/1040931157.db2.gz BJQDOKGYKIZMLH-CVEARBPZSA-N 1 3 381.358 3.978 20 0 GHADHO COc1c(Br)cc(C)cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430338 1040931605 /nfs/dbraw/zinc/93/16/05/1040931605.db2.gz WUDMGXORZFIFQP-JKSUJKDBSA-N 1 3 381.358 3.978 20 0 GHADHO CN(C)c1ccc(Br)cc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431205 1040932706 /nfs/dbraw/zinc/93/27/06/1040932706.db2.gz YNOQRMMKHTXZCT-HOTGVXAUSA-N 1 3 380.374 3.727 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H](N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001255350057 1040955523 /nfs/dbraw/zinc/95/55/23/1040955523.db2.gz OOUIHJKNMABICT-IEBWSBKVSA-N 1 3 378.944 3.798 20 0 GHADHO c1ccc(CN2CCC[C@@H]([NH2+]Cc3ccc(OC4CCOCC4)nc3)CC2)cc1 ZINC001255385986 1040974439 /nfs/dbraw/zinc/97/44/39/1040974439.db2.gz KKSKBHLLWFFMIM-JOCHJYFZSA-N 1 3 395.547 3.784 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255401031 1040987411 /nfs/dbraw/zinc/98/74/11/1040987411.db2.gz QSXZDOWHIMRNEV-OAQYLSRUSA-N 1 3 387.568 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255401031 1040987423 /nfs/dbraw/zinc/98/74/23/1040987423.db2.gz QSXZDOWHIMRNEV-OAQYLSRUSA-N 1 3 387.568 3.984 20 0 GHADHO COc1cccnc1O[C@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255410201 1040999565 /nfs/dbraw/zinc/99/95/65/1040999565.db2.gz RIKDIINQEBCMIV-YADHBBJMSA-N 1 3 395.547 3.988 20 0 GHADHO COc1cccnc1O[C@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255410201 1040999582 /nfs/dbraw/zinc/99/95/82/1040999582.db2.gz RIKDIINQEBCMIV-YADHBBJMSA-N 1 3 395.547 3.988 20 0 GHADHO C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001255741435 1041260093 /nfs/dbraw/zinc/26/00/93/1041260093.db2.gz FOKWGKKZJZMWEB-KRWDZBQOSA-N 1 3 388.556 3.657 20 0 GHADHO C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001255741435 1041260109 /nfs/dbraw/zinc/26/01/09/1041260109.db2.gz FOKWGKKZJZMWEB-KRWDZBQOSA-N 1 3 388.556 3.657 20 0 GHADHO Brc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccc1-n1ccnc1 ZINC001235888302 1041415184 /nfs/dbraw/zinc/41/51/84/1041415184.db2.gz NONORZRGOUNBLI-GOSISDBHSA-N 1 3 389.341 3.599 20 0 GHADHO Clc1ccc(Cn2cc(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)c3ccccc32)cn1 ZINC001235935782 1041439495 /nfs/dbraw/zinc/43/94/95/1041439495.db2.gz FCYUWFMUEKRVAD-ZWKOTPCHSA-N 1 3 380.923 3.779 20 0 GHADHO COCCCN(Cc1c[nH]c2cc(Br)ccc12)C1CC[NH2+]CC1 ZINC001235937767 1041444133 /nfs/dbraw/zinc/44/41/33/1041444133.db2.gz QJIMCBPJPXTWDR-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO COCCC[N@H+](Cc1c[nH]c2cc(Br)ccc12)C1CCNCC1 ZINC001235937767 1041444136 /nfs/dbraw/zinc/44/41/36/1041444136.db2.gz QJIMCBPJPXTWDR-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO COCCC[N@@H+](Cc1c[nH]c2cc(Br)ccc12)C1CCNCC1 ZINC001235937767 1041444146 /nfs/dbraw/zinc/44/41/46/1041444146.db2.gz QJIMCBPJPXTWDR-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO CCOC(=O)[C@H]1CCN(Cc2cc3c(s2)C[NH2+]CC3)C[C@H]1c1ccccc1 ZINC001236007920 1041498244 /nfs/dbraw/zinc/49/82/44/1041498244.db2.gz GDYUKVXAUMHOJB-PMACEKPBSA-N 1 3 384.545 3.563 20 0 GHADHO CN(Cc1ccc(Br)cc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224718 1041631104 /nfs/dbraw/zinc/63/11/04/1041631104.db2.gz VPAMCYSAHVZDNF-JOCQHMNTSA-N 1 3 376.136 3.913 20 0 GHADHO [NH3+]Cc1cccc(CN(Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001236313238 1041667888 /nfs/dbraw/zinc/66/78/88/1041667888.db2.gz YNVRXBDSTFKPSL-RUZDIDTESA-N 1 3 399.538 3.949 20 0 GHADHO COc1cc(O)cc(OC)c1CN(Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556481 1041761745 /nfs/dbraw/zinc/76/17/45/1041761745.db2.gz FQFCEZPNHUKZNE-WGSAOQKQSA-N 1 3 384.520 3.990 20 0 GHADHO [NH3+][C@@H]1CCN(C2CCN(Cc3c(Br)ccc4ccccc43)CC2)C1 ZINC001236615237 1041782878 /nfs/dbraw/zinc/78/28/78/1041782878.db2.gz GWWCPWVVKDVQAZ-MRXNPFEDSA-N 1 3 388.353 3.600 20 0 GHADHO Cc1ccc(CN2CC[C@@H](N3CCC([NH3+])CC3)C2)c(OCc2ccccc2)c1 ZINC001236623884 1041790050 /nfs/dbraw/zinc/79/00/50/1041790050.db2.gz VJIXZSAUCLZDQB-HSZRJFAPSA-N 1 3 379.548 3.571 20 0 GHADHO COc1nc(OC)c(CN(Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236742342 1041869107 /nfs/dbraw/zinc/86/91/07/1041869107.db2.gz OLWPJOFTQGYVOA-MEMLXQNLSA-N 1 3 383.536 3.988 20 0 GHADHO Cc1ccc(C[NH+]2CCC3(CCN(Cc4cccc(C(N)=O)c4)CC3)CC2)cc1 ZINC001237692843 1042329423 /nfs/dbraw/zinc/32/94/23/1042329423.db2.gz KKZQKSMFMPUMLO-UHFFFAOYSA-N 1 3 391.559 3.972 20 0 GHADHO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)C(C(C)C)=NCC4)CC[C@@H]21 ZINC001237878495 1042406134 /nfs/dbraw/zinc/40/61/34/1042406134.db2.gz QVJVPJQLOSLTOX-UNMCSNQZSA-N 1 3 381.564 3.767 20 0 GHADHO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)C(C(C)C)=NCC4)CC[C@@H]21 ZINC001237878495 1042406136 /nfs/dbraw/zinc/40/61/36/1042406136.db2.gz QVJVPJQLOSLTOX-UNMCSNQZSA-N 1 3 381.564 3.767 20 0 GHADHO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)C(C(C)C)=NCC4)CC[C@@H]21 ZINC001237878486 1042406152 /nfs/dbraw/zinc/40/61/52/1042406152.db2.gz QVJVPJQLOSLTOX-IRLDBZIGSA-N 1 3 381.564 3.767 20 0 GHADHO CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)C(C(C)C)=NCC4)CC[C@@H]21 ZINC001237878486 1042406153 /nfs/dbraw/zinc/40/61/53/1042406153.db2.gz QVJVPJQLOSLTOX-IRLDBZIGSA-N 1 3 381.564 3.767 20 0 GHADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(C)cc1Br ZINC001238287037 1042541431 /nfs/dbraw/zinc/54/14/31/1042541431.db2.gz YXKOIHMURWAERC-UHFFFAOYSA-N 1 3 394.401 3.525 20 0 GHADHO Brc1ccc2c(c1)CC[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256683797 1043619391 /nfs/dbraw/zinc/61/93/91/1043619391.db2.gz HTPYNZZCMSTWRK-GPJFCIFZSA-N 1 3 393.369 3.539 20 0 GHADHO FC(F)(F)C1(c2ccc(C[NH2+]C3CCC(N4CCOCC4)CC3)cc2)N=N1 ZINC001256687011 1043622361 /nfs/dbraw/zinc/62/23/61/1043622361.db2.gz ZNXOUKYMIVVUIZ-UHFFFAOYSA-N 1 3 382.430 3.601 20 0 GHADHO COc1ccccc1CC1([NH3+])CCN([C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256798630 1043658417 /nfs/dbraw/zinc/65/84/17/1043658417.db2.gz BDCCRJAGPAKTFE-FYYLOGMGSA-N 1 3 380.532 3.951 20 0 GHADHO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861695 1043707180 /nfs/dbraw/zinc/70/71/80/1043707180.db2.gz AAZBFXVPPXVRNH-HXUWFJFHSA-N 1 3 388.556 3.772 20 0 GHADHO CC(C)CN1CCC([NH2+]CCCOC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258001376 1044328796 /nfs/dbraw/zinc/32/87/96/1044328796.db2.gz OIHCGRWCNHNTSL-UHFFFAOYSA-N 1 3 397.604 3.503 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001258001625 1044328904 /nfs/dbraw/zinc/32/89/04/1044328904.db2.gz XJQLQURBUBCXOP-NLWGTHIKSA-N 1 3 379.589 3.590 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001258001200 1044329445 /nfs/dbraw/zinc/32/94/45/1044329445.db2.gz GYPODYOFBWQLDX-MOPGFXCFSA-N 1 3 381.605 3.980 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001258013228 1044338637 /nfs/dbraw/zinc/33/86/37/1044338637.db2.gz NDNMVBPTBPUXFK-UGKGYDQZSA-N 1 3 397.579 3.778 20 0 GHADHO CC(C)CN1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001258013228 1044338655 /nfs/dbraw/zinc/33/86/55/1044338655.db2.gz NDNMVBPTBPUXFK-UGKGYDQZSA-N 1 3 397.579 3.778 20 0 GHADHO CC(C)CN1CCC([NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)CC1 ZINC001258014889 1044341379 /nfs/dbraw/zinc/34/13/79/1044341379.db2.gz MGRLFXWTOXGSBI-UHFFFAOYSA-N 1 3 383.580 3.764 20 0 GHADHO COC(=O)[C@H]1CCN(C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC001258149326 1044438917 /nfs/dbraw/zinc/43/89/17/1044438917.db2.gz JUXGHFQUNKGVQL-ZEQRLZLVSA-N 1 3 392.543 3.930 20 0 GHADHO [NH3+]C1(c2ccccc2)CCN([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258576358 1044651821 /nfs/dbraw/zinc/65/18/21/1044651821.db2.gz JWRSTKQCLKYECT-JOCHJYFZSA-N 1 3 377.532 3.518 20 0 GHADHO Brc1cc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001279506557 1047828488 /nfs/dbraw/zinc/82/84/88/1047828488.db2.gz XFHRIYBJZKSQBR-IYBDPMFKSA-N 1 3 395.370 3.578 20 0 GHADHO Brc1cc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001279506557 1047828493 /nfs/dbraw/zinc/82/84/93/1047828493.db2.gz XFHRIYBJZKSQBR-IYBDPMFKSA-N 1 3 395.370 3.578 20 0 GHADHO C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@]23CCN(Cc2ccc(Cl)s2)C3)CC1 ZINC001280310880 1048174093 /nfs/dbraw/zinc/17/40/93/1048174093.db2.gz PEPFLBMOUKQDLU-XLIONFOSSA-N 1 3 396.000 3.604 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](CC)[C@@H]3CCCC[C@H]3C)cc2)CC1 ZINC001307683601 1049503702 /nfs/dbraw/zinc/50/37/02/1049503702.db2.gz KANZFQHUTJDKAS-DENIHFKCSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](CC)[C@@H]3CCCC[C@H]3C)cc2)CC1 ZINC001307683601 1049503716 /nfs/dbraw/zinc/50/37/16/1049503716.db2.gz KANZFQHUTJDKAS-DENIHFKCSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC001308203158 1049911209 /nfs/dbraw/zinc/91/12/09/1049911209.db2.gz PUZVUVJCXLLULR-QHCPKHFHSA-N 1 3 385.596 3.796 20 0 GHADHO CC(C)(C)[C@@]1(C[NH+]2CCC(Cn3ccnn3)CC2)CCN(Cc2ccccc2)C1 ZINC001308603407 1050027916 /nfs/dbraw/zinc/02/79/16/1050027916.db2.gz KOCRJSBOHYICOE-XMMPIXPASA-N 1 3 395.595 3.929 20 0 GHADHO COC(=O)c1ccc(Cl)c(CNCC2(c3ccccc3)CC[NH+](C)CC2)c1 ZINC001308901413 1050149872 /nfs/dbraw/zinc/14/98/72/1050149872.db2.gz HJACZNWJQFDKQB-UHFFFAOYSA-N 1 3 386.923 3.880 20 0 GHADHO CCCN1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001328690512 1050593808 /nfs/dbraw/zinc/59/38/08/1050593808.db2.gz DTCBRERVCIWTLB-QFIPXVFZSA-N 1 3 383.580 3.766 20 0 GHADHO CN1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001330080921 1050953783 /nfs/dbraw/zinc/95/37/83/1050953783.db2.gz HBICZMOCORXVAG-DNQXCXABSA-N 1 3 381.539 3.868 20 0 GHADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC001336737873 1052319247 /nfs/dbraw/zinc/31/92/47/1052319247.db2.gz RWIRLEALFNJSTN-QHCPKHFHSA-N 1 3 385.596 3.930 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC001311715310 1052352108 /nfs/dbraw/zinc/35/21/08/1052352108.db2.gz VLXVMAWVFBUOLN-IRLDBZIGSA-N 1 3 386.584 3.729 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC001312642261 1052822109 /nfs/dbraw/zinc/82/21/09/1052822109.db2.gz YARMZIJLHTYYHG-FPOVZHCZSA-N 1 3 392.632 3.793 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC001312642261 1052822112 /nfs/dbraw/zinc/82/21/12/1052822112.db2.gz YARMZIJLHTYYHG-FPOVZHCZSA-N 1 3 392.632 3.793 20 0 GHADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001312659639 1052829040 /nfs/dbraw/zinc/82/90/40/1052829040.db2.gz KOWPNNVXEYUHEB-TZIWHRDSSA-N 1 3 388.600 3.750 20 0 GHADHO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC001318303955 1054557035 /nfs/dbraw/zinc/55/70/35/1054557035.db2.gz XOXTYLLTCQKPSQ-OAQYLSRUSA-N 1 3 391.987 3.933 20 0 GHADHO CCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC001318303955 1054557045 /nfs/dbraw/zinc/55/70/45/1054557045.db2.gz XOXTYLLTCQKPSQ-OAQYLSRUSA-N 1 3 391.987 3.933 20 0 GHADHO COc1ccc([C@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)C(C)C)cc1 ZINC001319793709 1055471365 /nfs/dbraw/zinc/47/13/65/1055471365.db2.gz IIXIURLNPXRZDB-XMMPIXPASA-N 1 3 381.564 3.930 20 0 GHADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001322075654 1056505265 /nfs/dbraw/zinc/50/52/65/1056505265.db2.gz WGRGRTQBKXBHAV-DHIUTWEWSA-N 1 3 383.580 3.684 20 0 GHADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC001323193957 1056937054 /nfs/dbraw/zinc/93/70/54/1056937054.db2.gz UMOIUQYJTZVWQY-SJLPKXTDSA-N 1 3 390.572 3.797 20 0 GHADHO COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1C ZINC001323786222 1057013310 /nfs/dbraw/zinc/01/33/10/1057013310.db2.gz SYUMIBZHDUHXGZ-HXUWFJFHSA-N 1 3 381.564 3.910 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039220 1057268613 /nfs/dbraw/zinc/26/86/13/1057268613.db2.gz PENLWADJFLKLRO-OXQOHEQNSA-N 1 3 375.463 3.726 20 0 GHADHO O=C(CC[NH2+]CC1CCN(Cc2ccncc2)CC1)Nc1ccc(Cl)cc1 ZINC001356581950 1057557008 /nfs/dbraw/zinc/55/70/08/1057557008.db2.gz CYOJBOZUNLDULN-UHFFFAOYSA-N 1 3 386.927 3.565 20 0 GHADHO [NH2+]=C(NCCCn1ccc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000849055710 1057565506 /nfs/dbraw/zinc/56/55/06/1057565506.db2.gz AOPIAPFBWNPGBV-UHFFFAOYSA-N 1 3 389.547 3.810 20 0 GHADHO CCN(CCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000849055493 1057566309 /nfs/dbraw/zinc/56/63/09/1057566309.db2.gz DJYAVKBEGYCZMS-UHFFFAOYSA-N 1 3 393.579 3.682 20 0 GHADHO [NH2+]=C(NCc1ccccc1C(F)(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849062392 1057573481 /nfs/dbraw/zinc/57/34/81/1057573481.db2.gz QRSXHEOYMMLDKC-UHFFFAOYSA-N 1 3 390.453 3.984 20 0 GHADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)cc1C(F)(F)F ZINC000849073853 1057582401 /nfs/dbraw/zinc/58/24/01/1057582401.db2.gz JCCJBVSLFOGOOR-OAHLLOKOSA-N 1 3 386.462 3.591 20 0 GHADHO CN(C)[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586843 1058540638 /nfs/dbraw/zinc/54/06/38/1058540638.db2.gz JWIKOFOLGHIKRX-PKTZIBPZSA-N 1 3 391.559 3.708 20 0 GHADHO CN(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586843 1058540663 /nfs/dbraw/zinc/54/06/63/1058540663.db2.gz JWIKOFOLGHIKRX-PKTZIBPZSA-N 1 3 391.559 3.708 20 0 GHADHO CN(C)CCN(C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC001442569679 1058977846 /nfs/dbraw/zinc/97/78/46/1058977846.db2.gz FBJNKSNQSUWSDE-QFIPXVFZSA-N 1 3 379.548 3.536 20 0 GHADHO CN(C)CCN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC001442569679 1058977847 /nfs/dbraw/zinc/97/78/47/1058977847.db2.gz FBJNKSNQSUWSDE-QFIPXVFZSA-N 1 3 379.548 3.536 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC001459476327 1064109028 /nfs/dbraw/zinc/10/90/28/1064109028.db2.gz KBPXJFUEGUVOJE-RUZDIDTESA-N 1 3 395.591 3.852 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC001459476327 1064109032 /nfs/dbraw/zinc/10/90/32/1064109032.db2.gz KBPXJFUEGUVOJE-RUZDIDTESA-N 1 3 395.591 3.852 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)c2ccc(Nc3ccncc3)cc2)[NH+](C)C)cc1 ZINC001463767350 1064599610 /nfs/dbraw/zinc/59/96/10/1064599610.db2.gz XBFSGZWEFADXIO-HSZRJFAPSA-N 1 3 388.515 3.842 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)N2CCCC2)cc1 ZINC001468387767 1067714185 /nfs/dbraw/zinc/71/41/85/1067714185.db2.gz JCIMDUIAICXVEU-PKTZIBPZSA-N 1 3 398.595 3.696 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)N2CCCC2)cc1 ZINC001468387767 1067714190 /nfs/dbraw/zinc/71/41/90/1067714190.db2.gz JCIMDUIAICXVEU-PKTZIBPZSA-N 1 3 398.595 3.696 20 0 GHADHO CCOc1cccc([C@@H]2C[C@H]2NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849106024 1067730868 /nfs/dbraw/zinc/73/08/68/1067730868.db2.gz PFOYUAMGSVWQER-XZOQPEGZSA-N 1 3 392.547 3.720 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001468872998 1067914483 /nfs/dbraw/zinc/91/44/83/1067914483.db2.gz KBNLXNXDDJBMIS-YPAWHYETSA-N 1 3 384.568 3.530 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001468872998 1067914488 /nfs/dbraw/zinc/91/44/88/1067914488.db2.gz KBNLXNXDDJBMIS-YPAWHYETSA-N 1 3 384.568 3.530 20 0 GHADHO C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccc(C(F)(F)F)c1 ZINC001470026969 1068530338 /nfs/dbraw/zinc/53/03/38/1068530338.db2.gz VSDUHBLSPGOMRD-CVEARBPZSA-N 1 3 387.490 3.587 20 0 GHADHO C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccc(C(F)(F)F)c1 ZINC001470026969 1068530350 /nfs/dbraw/zinc/53/03/50/1068530350.db2.gz VSDUHBLSPGOMRD-CVEARBPZSA-N 1 3 387.490 3.587 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC001478957893 1079039728 /nfs/dbraw/zinc/03/97/28/1079039728.db2.gz TYPFASYGNGBJQE-IBGZPJMESA-N 1 3 394.563 3.651 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC001478957893 1079039729 /nfs/dbraw/zinc/03/97/29/1079039729.db2.gz TYPFASYGNGBJQE-IBGZPJMESA-N 1 3 394.563 3.651 20 0 GHADHO CN(CCNC(=O)C1CC[NH+]([C@@H]2CCc3ccccc32)CC1)Cc1ccccc1 ZINC001473198389 1073850925 /nfs/dbraw/zinc/85/09/25/1073850925.db2.gz LUGBKSOGHOPCNI-XMMPIXPASA-N 1 3 391.559 3.634 20 0 GHADHO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)NC[C@H](c3ccccc3)N(C)C)C2(C)C)cc1 ZINC001473750536 1074122798 /nfs/dbraw/zinc/12/27/98/1074122798.db2.gz JVJCNWFJSJRPPM-XZOQPEGZSA-N 1 3 393.575 3.982 20 0 GHADHO Cc1ccc([C@@H]2CC[N@H+](CC(=O)NC[C@H](c3ccccc3)N(C)C)C2(C)C)cc1 ZINC001473750536 1074122800 /nfs/dbraw/zinc/12/28/00/1074122800.db2.gz JVJCNWFJSJRPPM-XZOQPEGZSA-N 1 3 393.575 3.982 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1C ZINC001474000832 1074231748 /nfs/dbraw/zinc/23/17/48/1074231748.db2.gz SHSXBDFQRBDLKC-UHFFFAOYSA-N 1 3 399.535 3.573 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNCc2ccccc2-n2cncn2)CC1 ZINC001474137524 1074273718 /nfs/dbraw/zinc/27/37/18/1074273718.db2.gz GYTPFLHKFXAXBU-UHFFFAOYSA-N 1 3 375.520 3.789 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)CCN1Cc1ccccc1 ZINC000089595059 834594773 /nfs/dbraw/zinc/59/47/73/834594773.db2.gz OMCIHZJMYCXVCC-FYYLOGMGSA-N 1 3 385.596 3.664 20 0 GHADHO C[C@@H]1C[C@@H](NCCc2nnc(-c3ccccc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000090659943 834618557 /nfs/dbraw/zinc/61/85/57/834618557.db2.gz VIAHQUPOVJDPNI-NQIIRXRSSA-N 1 3 376.504 3.922 20 0 GHADHO C[C@@H]1C[C@@H](NCCc2nnc(-c3ccccc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000090659943 834618563 /nfs/dbraw/zinc/61/85/63/834618563.db2.gz VIAHQUPOVJDPNI-NQIIRXRSSA-N 1 3 376.504 3.922 20 0 GHADHO CCCCOc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1OC ZINC000650722258 834688770 /nfs/dbraw/zinc/68/87/70/834688770.db2.gz OBCJWMUNZSBQPZ-SFHLNBCPSA-N 1 3 376.541 3.735 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1)CC1CC1 ZINC000536139634 835107008 /nfs/dbraw/zinc/10/70/08/835107008.db2.gz FKMUTYIOKWRQMW-UHFFFAOYSA-N 1 3 385.531 3.740 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1)CC1CC1 ZINC000536139634 835107018 /nfs/dbraw/zinc/10/70/18/835107018.db2.gz FKMUTYIOKWRQMW-UHFFFAOYSA-N 1 3 385.531 3.740 20 0 GHADHO Cn1cc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000685632368 835240400 /nfs/dbraw/zinc/24/04/00/835240400.db2.gz HRBYCSKUGDFXAS-OAQYLSRUSA-N 1 3 389.547 3.874 20 0 GHADHO Cc1cc2c(cc1C)[C@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658140730 835467221 /nfs/dbraw/zinc/46/72/21/835467221.db2.gz QUYWMRLIFINCLD-JTHBVZDNSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc2c(cc1C)[C@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658140730 835467226 /nfs/dbraw/zinc/46/72/26/835467226.db2.gz QUYWMRLIFINCLD-JTHBVZDNSA-N 1 3 380.532 3.874 20 0 GHADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000584219896 835769911 /nfs/dbraw/zinc/76/99/11/835769911.db2.gz RVMLGLKCBNONQC-GGAORHGYSA-N 1 3 382.552 3.714 20 0 GHADHO Cc1cc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1Cl ZINC000180425012 836168569 /nfs/dbraw/zinc/16/85/69/836168569.db2.gz CYYPQCVWSJFLER-UHFFFAOYSA-N 1 3 379.976 3.564 20 0 GHADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000092615714 844134666 /nfs/dbraw/zinc/13/46/66/844134666.db2.gz XEBFXRGSIGTOQC-UHFFFAOYSA-N 1 3 397.588 3.728 20 0 GHADHO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000612407642 836175090 /nfs/dbraw/zinc/17/50/90/836175090.db2.gz WJITZGUMIPNKSE-PZJWPPBQSA-N 1 3 396.531 3.801 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)cc1 ZINC000180640495 836235314 /nfs/dbraw/zinc/23/53/14/836235314.db2.gz OWCBQJGPQCREPF-YWZLYKJASA-N 1 3 389.337 3.867 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)cc1 ZINC000180640495 836235325 /nfs/dbraw/zinc/23/53/25/836235325.db2.gz OWCBQJGPQCREPF-YWZLYKJASA-N 1 3 389.337 3.867 20 0 GHADHO FC(F)(F)Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000570041827 836318646 /nfs/dbraw/zinc/31/86/46/836318646.db2.gz BLTFDDFNXDTSRV-XUVXKRRUSA-N 1 3 392.469 3.978 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483716 844154249 /nfs/dbraw/zinc/15/42/49/844154249.db2.gz WFHZNZFAIKBUIO-DENIHFKCSA-N 1 3 377.532 3.814 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000511394150 836927414 /nfs/dbraw/zinc/92/74/14/836927414.db2.gz BECRSWVLEUZEEV-QIJUGHKUSA-N 1 3 394.003 3.956 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000511394150 836927425 /nfs/dbraw/zinc/92/74/25/836927425.db2.gz BECRSWVLEUZEEV-QIJUGHKUSA-N 1 3 394.003 3.956 20 0 GHADHO OC1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCN(Cc2ccccc2)CC1 ZINC000414306711 837007834 /nfs/dbraw/zinc/00/78/34/837007834.db2.gz OQCVLLPAAHLDNS-OAQYLSRUSA-N 1 3 384.495 3.656 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000415962215 838320519 /nfs/dbraw/zinc/32/05/19/838320519.db2.gz WVENNBQEOBBENX-IBGZPJMESA-N 1 3 380.536 3.924 20 0 GHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415994869 838372387 /nfs/dbraw/zinc/37/23/87/838372387.db2.gz JADRAOOLIOESRV-LJQANCHMSA-N 1 3 378.520 3.666 20 0 GHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415994869 838372396 /nfs/dbraw/zinc/37/23/96/838372396.db2.gz JADRAOOLIOESRV-LJQANCHMSA-N 1 3 378.520 3.666 20 0 GHADHO CC1(C)Cc2cc(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)ccc2O1 ZINC000180986160 838693759 /nfs/dbraw/zinc/69/37/59/838693759.db2.gz QFRGHFWWRXAPLF-QFIPXVFZSA-N 1 3 380.532 3.647 20 0 GHADHO CC1(C)Cc2cc(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)ccc2O1 ZINC000180986160 838693765 /nfs/dbraw/zinc/69/37/65/838693765.db2.gz QFRGHFWWRXAPLF-QFIPXVFZSA-N 1 3 380.532 3.647 20 0 GHADHO CS(=O)(=O)c1cccc([C@H](N[C@H]2CC[C@H](C[NH3+])C2)c2ccc(Cl)cc2)c1 ZINC000576389015 844358111 /nfs/dbraw/zinc/35/81/11/844358111.db2.gz PIJXFFCIAVIJPE-ADLFWFRXSA-N 1 3 392.952 3.550 20 0 GHADHO CN(CC[C@@H]1Sc2ccccc2NC1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659973115 839030778 /nfs/dbraw/zinc/03/07/78/839030778.db2.gz MCDGDYCNDNTVLC-UGKGYDQZSA-N 1 3 395.572 3.943 20 0 GHADHO CN(CC[C@@H]1Sc2ccccc2NC1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659973115 839030790 /nfs/dbraw/zinc/03/07/90/839030790.db2.gz MCDGDYCNDNTVLC-UGKGYDQZSA-N 1 3 395.572 3.943 20 0 GHADHO COc1ccc(OCc2nc(CNC[C@H]3CC[C@H](C[NH3+])CC3)cs2)cc1 ZINC000415018428 839064743 /nfs/dbraw/zinc/06/47/43/839064743.db2.gz BVROHRMJNUTAEX-WKILWMFISA-N 1 3 375.538 3.585 20 0 GHADHO [NH3+]CCC[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000415044032 839111542 /nfs/dbraw/zinc/11/15/42/839111542.db2.gz ABRHYVAJZCNUEM-KRWDZBQOSA-N 1 3 391.309 3.790 20 0 GHADHO CCCOc1c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cccc1OCC ZINC000415100812 839206574 /nfs/dbraw/zinc/20/65/74/839206574.db2.gz AMQSTMLIJRSGGW-FPOVZHCZSA-N 1 3 376.541 3.592 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000415101975 839207074 /nfs/dbraw/zinc/20/70/74/839207074.db2.gz BYKWIWJPYRUSAQ-DENIHFKCSA-N 1 3 376.541 3.592 20 0 GHADHO C[C@H](NC[C@H]1CC[NH2+][C@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000415107351 839215742 /nfs/dbraw/zinc/21/57/42/839215742.db2.gz OQFABBUOVSZFIK-AGIUHOORSA-N 1 3 379.302 3.538 20 0 GHADHO [NH3+]CC1(O)CCN(Cc2ccc(Oc3cccc(Br)c3)cc2)CC1 ZINC000415141044 839267810 /nfs/dbraw/zinc/26/78/10/839267810.db2.gz MCULJKGEADVUFO-UHFFFAOYSA-N 1 3 391.309 3.527 20 0 GHADHO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)s2)cc1C ZINC000656255764 839853972 /nfs/dbraw/zinc/85/39/72/839853972.db2.gz OYHWUOKMWJUDPN-DENIHFKCSA-N 1 3 398.620 3.885 20 0 GHADHO Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)s2)cc1C ZINC000656255764 839853974 /nfs/dbraw/zinc/85/39/74/839853974.db2.gz OYHWUOKMWJUDPN-DENIHFKCSA-N 1 3 398.620 3.885 20 0 GHADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000416839121 840217197 /nfs/dbraw/zinc/21/71/97/840217197.db2.gz JJYAUQVFPDUCPX-IBGZPJMESA-N 1 3 392.613 3.552 20 0 GHADHO CC(C)(CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417084497 840442649 /nfs/dbraw/zinc/44/26/49/840442649.db2.gz ANWCEYJTOOGUHV-JOCHJYFZSA-N 1 3 394.563 3.603 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](C4CCCCC4)C3)CC2)CC1 ZINC000660575914 840947603 /nfs/dbraw/zinc/94/76/03/840947603.db2.gz YBPUGTGBWMNJPN-FQEVSTJZSA-N 1 3 390.616 3.547 20 0 GHADHO Cc1ccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1F ZINC000067121792 840966456 /nfs/dbraw/zinc/96/64/56/840966456.db2.gz PTIZCNHZASBLJB-UHFFFAOYSA-N 1 3 386.511 3.914 20 0 GHADHO Cc1ccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1F ZINC000067121792 840966460 /nfs/dbraw/zinc/96/64/60/840966460.db2.gz PTIZCNHZASBLJB-UHFFFAOYSA-N 1 3 386.511 3.914 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccccc2CC(F)(F)F)C1 ZINC000631112210 841271455 /nfs/dbraw/zinc/27/14/55/841271455.db2.gz YPGZRPSWIYAAOX-HXUWFJFHSA-N 1 3 378.438 3.648 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccccc2CC(F)(F)F)C1 ZINC000631112210 841271466 /nfs/dbraw/zinc/27/14/66/841271466.db2.gz YPGZRPSWIYAAOX-HXUWFJFHSA-N 1 3 378.438 3.648 20 0 GHADHO CC(C)[NH+]1CCN(CCCN2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000661542201 841869062 /nfs/dbraw/zinc/86/90/62/841869062.db2.gz WHPKRASQRHBDMW-UHFFFAOYSA-N 1 3 384.593 3.584 20 0 GHADHO CCOC(=O)c1csc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000276487014 842004333 /nfs/dbraw/zinc/00/43/33/842004333.db2.gz GZAKICAMYLHWKO-SJLPKXTDSA-N 1 3 387.549 3.505 20 0 GHADHO CCOC(=O)c1csc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000276487014 842004346 /nfs/dbraw/zinc/00/43/46/842004346.db2.gz GZAKICAMYLHWKO-SJLPKXTDSA-N 1 3 387.549 3.505 20 0 GHADHO COc1cc(CN2CC[C@@H](C)O[C@@H](C)C2)cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC000661853741 842236568 /nfs/dbraw/zinc/23/65/68/842236568.db2.gz WPDSTIKSHPLTEP-ZRNYENFQSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@@H](C)O[C@@H](C)C2)cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC000661853741 842236576 /nfs/dbraw/zinc/23/65/76/842236576.db2.gz WPDSTIKSHPLTEP-ZRNYENFQSA-N 1 3 390.568 3.694 20 0 GHADHO Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)ccc1OCC[NH+](C)C ZINC000652434043 842527017 /nfs/dbraw/zinc/52/70/17/842527017.db2.gz OOBXFIUOGKBNIU-HZPDHXFCSA-N 1 3 388.430 3.622 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290435 843082059 /nfs/dbraw/zinc/08/20/59/843082059.db2.gz CSNHTQOSQNTWLM-FRQCXROJSA-N 1 3 377.960 3.617 20 0 GHADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc21 ZINC000662347168 843154072 /nfs/dbraw/zinc/15/40/72/843154072.db2.gz CVCCOTOIPNAWNY-JTHBVZDNSA-N 1 3 377.532 3.632 20 0 GHADHO CCCN1CCN(c2ccc(NC(=O)[C@@H]([NH3+])c3ccccc3)cc2Cl)CC1 ZINC000236805790 843708289 /nfs/dbraw/zinc/70/82/89/843708289.db2.gz JLWCYBGWMYRVMP-FQEVSTJZSA-N 1 3 386.927 3.511 20 0 GHADHO COC(=O)c1cc([C@H](C)[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)oc1C ZINC000433199829 843823432 /nfs/dbraw/zinc/82/34/32/843823432.db2.gz MXRAGOYNCLXOJI-PWIZWCRZSA-N 1 3 382.504 3.890 20 0 GHADHO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)oc1C ZINC000433199829 843823443 /nfs/dbraw/zinc/82/34/43/843823443.db2.gz MXRAGOYNCLXOJI-PWIZWCRZSA-N 1 3 382.504 3.890 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000500719481 843881785 /nfs/dbraw/zinc/88/17/85/843881785.db2.gz ZYZTYQKEWIZYED-UGKGYDQZSA-N 1 3 386.584 3.585 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000512650063 844885642 /nfs/dbraw/zinc/88/56/42/844885642.db2.gz WUTFAZFWXFAVCJ-MLCQCVOFSA-N 1 3 384.564 3.605 20 0 GHADHO C[C@H](C(=O)N(C)Cc1ccccc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389891 861559193 /nfs/dbraw/zinc/55/91/93/861559193.db2.gz WVGIXFSLVMIQTD-HXUWFJFHSA-N 1 3 394.563 3.667 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000411454330 845479177 /nfs/dbraw/zinc/47/91/77/845479177.db2.gz RVNXETWVZVFUSH-FQEVSTJZSA-N 1 3 377.548 3.882 20 0 GHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433964318 845675384 /nfs/dbraw/zinc/67/53/84/845675384.db2.gz IOMRIVNLYSHJHE-GMAHTHKFSA-N 1 3 398.595 3.557 20 0 GHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433964318 845675386 /nfs/dbraw/zinc/67/53/86/845675386.db2.gz IOMRIVNLYSHJHE-GMAHTHKFSA-N 1 3 398.595 3.557 20 0 GHADHO CCOc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156966713 845778055 /nfs/dbraw/zinc/77/80/55/845778055.db2.gz RWQXRTLXTRKQAZ-AVRDEDQJSA-N 1 3 395.547 3.633 20 0 GHADHO CCOc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156966713 845778060 /nfs/dbraw/zinc/77/80/60/845778060.db2.gz RWQXRTLXTRKQAZ-AVRDEDQJSA-N 1 3 395.547 3.633 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccnn2-c2ccncc2)cc1 ZINC000657310024 845979619 /nfs/dbraw/zinc/97/96/19/845979619.db2.gz JWNHRMJWXOWIFG-LJQANCHMSA-N 1 3 375.520 3.932 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccnn2-c2ccncc2)cc1 ZINC000657310024 845979625 /nfs/dbraw/zinc/97/96/25/845979625.db2.gz JWNHRMJWXOWIFG-LJQANCHMSA-N 1 3 375.520 3.932 20 0 GHADHO c1cc(C[N@@H+]2CCOCC23CCCC3)ccc1CN1CCOCC12CCCC2 ZINC000536487455 845990734 /nfs/dbraw/zinc/99/07/34/845990734.db2.gz BMQQCZLNLWLFRW-UHFFFAOYSA-N 1 3 384.564 3.977 20 0 GHADHO c1cc(C[N@H+]2CCOCC23CCCC3)ccc1CN1CCOCC12CCCC2 ZINC000536487455 845990740 /nfs/dbraw/zinc/99/07/40/845990740.db2.gz BMQQCZLNLWLFRW-UHFFFAOYSA-N 1 3 384.564 3.977 20 0 GHADHO c1csc(C[N@H+]2CCC[C@@H](CNCc3ccc(O[C@@H]4CCOC4)cc3)C2)c1 ZINC000657338015 846340918 /nfs/dbraw/zinc/34/09/18/846340918.db2.gz GHCWTBGBTIJYCH-PZJWPPBQSA-N 1 3 386.561 3.918 20 0 GHADHO c1csc(C[N@@H+]2CCC[C@@H](CNCc3ccc(O[C@@H]4CCOC4)cc3)C2)c1 ZINC000657338015 846340927 /nfs/dbraw/zinc/34/09/27/846340927.db2.gz GHCWTBGBTIJYCH-PZJWPPBQSA-N 1 3 386.561 3.918 20 0 GHADHO C(=C/C[N@@H+]1CC[C@H](Cc2nccs2)C1)\CN1CC[C@@H](Cc2nccs2)C1 ZINC000934329978 846528943 /nfs/dbraw/zinc/52/89/43/846528943.db2.gz DDOQMKZZCKZPGW-KVHJKKSTSA-N 1 3 388.606 3.585 20 0 GHADHO C(=C/C[N@H+]1CC[C@H](Cc2nccs2)C1)\CN1CC[C@@H](Cc2nccs2)C1 ZINC000934329978 846528952 /nfs/dbraw/zinc/52/89/52/846528952.db2.gz DDOQMKZZCKZPGW-KVHJKKSTSA-N 1 3 388.606 3.585 20 0 GHADHO C(=C/C[N@@H+]1CC[C@@H](Cc2nccs2)C1)\CN1CC[C@H](Cc2nccs2)C1 ZINC000934329978 846528957 /nfs/dbraw/zinc/52/89/57/846528957.db2.gz DDOQMKZZCKZPGW-KVHJKKSTSA-N 1 3 388.606 3.585 20 0 GHADHO C(=C/C[N@H+]1CC[C@@H](Cc2nccs2)C1)\CN1CC[C@H](Cc2nccs2)C1 ZINC000934329978 846528961 /nfs/dbraw/zinc/52/89/61/846528961.db2.gz DDOQMKZZCKZPGW-KVHJKKSTSA-N 1 3 388.606 3.585 20 0 GHADHO CCc1ccccc1NC(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050018 846577379 /nfs/dbraw/zinc/57/73/79/846577379.db2.gz KNKRJLGKOJQCQC-SFHVURJKSA-N 1 3 380.536 3.819 20 0 GHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000501063985 846593897 /nfs/dbraw/zinc/59/38/97/846593897.db2.gz SMCTZCHXXSBFNY-OAQYLSRUSA-N 1 3 398.938 3.689 20 0 GHADHO CCOc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1OCC ZINC000414552941 846597904 /nfs/dbraw/zinc/59/79/04/846597904.db2.gz RUBLSKVOBCMMSJ-UHFFFAOYSA-N 1 3 398.547 3.601 20 0 GHADHO C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054015 846604578 /nfs/dbraw/zinc/60/45/78/846604578.db2.gz PJYPQPQSFHTAMK-MRXNPFEDSA-N 1 3 386.927 3.910 20 0 GHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422881712 847867748 /nfs/dbraw/zinc/86/77/48/847867748.db2.gz OAMPVCQJTPFIFW-WMZHIEFXSA-N 1 3 395.547 3.962 20 0 GHADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000422886093 847869588 /nfs/dbraw/zinc/86/95/88/847869588.db2.gz WAYHVMAPJSAKAL-CEXWTWQISA-N 1 3 375.969 3.970 20 0 GHADHO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422885470 847870691 /nfs/dbraw/zinc/87/06/91/847870691.db2.gz YVFQQGGNKWTTBX-LEWJYISDSA-N 1 3 381.520 3.762 20 0 GHADHO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CCCC[C@@H]3CN)cc2)cc1 ZINC000422943906 847907515 /nfs/dbraw/zinc/90/75/15/847907515.db2.gz ZBPOMKVNRLAXSZ-NFBKMPQASA-N 1 3 395.547 3.662 20 0 GHADHO COC[C@H](CCC[NH3+])N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423039745 847951235 /nfs/dbraw/zinc/95/12/35/847951235.db2.gz RJTBROAPRLVMFI-UONOGXRCSA-N 1 3 383.252 3.786 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596178 848289889 /nfs/dbraw/zinc/28/98/89/848289889.db2.gz MAUTVPLUYNMXCB-CZUORRHYSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596178 848289896 /nfs/dbraw/zinc/28/98/96/848289896.db2.gz MAUTVPLUYNMXCB-CZUORRHYSA-N 1 3 395.366 3.928 20 0 GHADHO Cc1nc2scc(C3CC3)n2c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613284 848326840 /nfs/dbraw/zinc/32/68/40/848326840.db2.gz KNOIHLGFWMGSQO-UHFFFAOYSA-N 1 3 395.576 3.978 20 0 GHADHO CN1CCN(CC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1(C)C ZINC000685042791 848595051 /nfs/dbraw/zinc/59/50/51/848595051.db2.gz MMIZHMTVARUIHH-UHFFFAOYSA-N 1 3 390.575 3.805 20 0 GHADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604206811 861940605 /nfs/dbraw/zinc/94/06/05/861940605.db2.gz VZBYVDGEOTWTTR-QFIPXVFZSA-N 1 3 386.584 3.729 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193632 861959027 /nfs/dbraw/zinc/95/90/27/861959027.db2.gz DWAPHFRDPWOVBS-UNMCSNQZSA-N 1 3 386.584 3.633 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193632 861959037 /nfs/dbraw/zinc/95/90/37/861959037.db2.gz DWAPHFRDPWOVBS-UNMCSNQZSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000162541915 849159702 /nfs/dbraw/zinc/15/97/02/849159702.db2.gz VEUXFFDLHJGXBV-QGZVFWFLSA-N 1 3 396.535 3.762 20 0 GHADHO C[NH+](C)CCOc1cc(CN[C@H]2CCc3c2cccc3Br)ccn1 ZINC000180210805 862017136 /nfs/dbraw/zinc/01/71/36/862017136.db2.gz MSUQOTDNGVUVRV-SFHVURJKSA-N 1 3 390.325 3.562 20 0 GHADHO C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000434894184 849864308 /nfs/dbraw/zinc/86/43/08/849864308.db2.gz FTEDDIQGTXWXNP-GBXCKJPGSA-N 1 3 391.559 3.777 20 0 GHADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000414742913 849915737 /nfs/dbraw/zinc/91/57/37/849915737.db2.gz MRCLGXMSMQWKDQ-KKSFZXQISA-N 1 3 377.960 3.700 20 0 GHADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000414742913 849915743 /nfs/dbraw/zinc/91/57/43/849915743.db2.gz MRCLGXMSMQWKDQ-KKSFZXQISA-N 1 3 377.960 3.700 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)N(CC)CC[NH+]1CCCCCC1)c1ccco1 ZINC000509595635 850113697 /nfs/dbraw/zinc/11/36/97/850113697.db2.gz IILNHYWDVXBGNL-RTBURBONSA-N 1 3 378.561 3.616 20 0 GHADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486818277 850139920 /nfs/dbraw/zinc/13/99/20/850139920.db2.gz BGHGWXPKXQRLQJ-TXTKFYIRSA-N 1 3 380.536 3.965 20 0 GHADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486818277 850139925 /nfs/dbraw/zinc/13/99/25/850139925.db2.gz BGHGWXPKXQRLQJ-TXTKFYIRSA-N 1 3 380.536 3.965 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@](C)(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964807 850159728 /nfs/dbraw/zinc/15/97/28/850159728.db2.gz YEOJFUACSLFREJ-MFXLTOHQSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@](C)(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964807 850159739 /nfs/dbraw/zinc/15/97/39/850159739.db2.gz YEOJFUACSLFREJ-MFXLTOHQSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@](C)([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167964807 850159748 /nfs/dbraw/zinc/15/97/48/850159748.db2.gz YEOJFUACSLFREJ-MFXLTOHQSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)N(C)CC(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000518920415 850353947 /nfs/dbraw/zinc/35/39/47/850353947.db2.gz WNTLNSNJIYVWEG-UHFFFAOYSA-N 1 3 381.564 3.897 20 0 GHADHO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000518968224 850421289 /nfs/dbraw/zinc/42/12/89/850421289.db2.gz KPRJOOLINBDUHA-FQEVSTJZSA-N 1 3 394.563 3.602 20 0 GHADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414793141 850512224 /nfs/dbraw/zinc/51/22/24/850512224.db2.gz DHAGDJPMYGJARC-BEFAXECRSA-N 1 3 380.374 3.521 20 0 GHADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OCc1ccccc1 ZINC000414803358 850583079 /nfs/dbraw/zinc/58/30/79/850583079.db2.gz NRMVZUDWGGYPHF-UXHICEINSA-N 1 3 384.520 3.890 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCC(C[NH+](CC)CC)CC2)N(C)C)cc1 ZINC000515291360 850881669 /nfs/dbraw/zinc/88/16/69/850881669.db2.gz QUGFCJIUPSDOSX-JOCHJYFZSA-N 1 3 388.600 3.615 20 0 GHADHO CCN(CCc1cccs1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488280499 851341566 /nfs/dbraw/zinc/34/15/66/851341566.db2.gz LVSGMGSKFNIGEG-LJQANCHMSA-N 1 3 399.604 3.782 20 0 GHADHO O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000488416727 851474968 /nfs/dbraw/zinc/47/49/68/851474968.db2.gz CJXUGHAALTYJIG-XMMPIXPASA-N 1 3 394.559 3.901 20 0 GHADHO CC(C)(C)CCN1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000515789513 851480816 /nfs/dbraw/zinc/48/08/16/851480816.db2.gz WKWQUYWDROXXIF-UHFFFAOYSA-N 1 3 386.584 3.546 20 0 GHADHO O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1)c1ccccc1F ZINC001167975725 851829732 /nfs/dbraw/zinc/82/97/32/851829732.db2.gz VCASEIIJNXVKIP-YRMMNHGISA-N 1 3 399.554 3.862 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]CC[C@@H]3CCOC3)CC2)cc1 ZINC000438086993 852007828 /nfs/dbraw/zinc/00/78/28/852007828.db2.gz DCGZACLNJWYAIM-OAQYLSRUSA-N 1 3 379.548 3.525 20 0 GHADHO COCC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000425953070 852071013 /nfs/dbraw/zinc/07/10/13/852071013.db2.gz RBBYRQNSKILKBS-YTFSRNRJSA-N 1 3 386.580 3.710 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517640245 852197980 /nfs/dbraw/zinc/19/79/80/852197980.db2.gz XXKZPTAAFPRSTA-YMPZKCBVSA-N 1 3 382.548 3.686 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517640245 852197982 /nfs/dbraw/zinc/19/79/82/852197982.db2.gz XXKZPTAAFPRSTA-YMPZKCBVSA-N 1 3 382.548 3.686 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167961266 852380060 /nfs/dbraw/zinc/38/00/60/852380060.db2.gz GYKZMGZBPBGNJU-ISERLACWSA-N 1 3 389.584 3.912 20 0 GHADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894332429 853015651 /nfs/dbraw/zinc/01/56/51/853015651.db2.gz PTFOGYVVYNFYQN-SJORKVTESA-N 1 3 379.957 3.807 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(Oc3ccccn3)CC2)CC1 ZINC000507668890 853151640 /nfs/dbraw/zinc/15/16/40/853151640.db2.gz LMALWPYCEXHCQD-UHFFFAOYSA-N 1 3 394.563 3.657 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000187987410 853292037 /nfs/dbraw/zinc/29/20/37/853292037.db2.gz DGSYFVKGPTUAGL-RBBKRZOGSA-N 1 3 383.511 3.764 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000187987410 853292045 /nfs/dbraw/zinc/29/20/45/853292045.db2.gz DGSYFVKGPTUAGL-RBBKRZOGSA-N 1 3 383.511 3.764 20 0 GHADHO CC(C)Cc1ccc([C@@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000437643909 853355326 /nfs/dbraw/zinc/35/53/26/853355326.db2.gz DEUPWWCRMUEEKQ-DEOSSOPVSA-N 1 3 385.596 3.915 20 0 GHADHO CC(C)(C)OC(=O)NCC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167988062 853460510 /nfs/dbraw/zinc/46/05/10/853460510.db2.gz ORDLTPFZZDDGDE-YOFSQIOKSA-N 1 3 377.573 3.629 20 0 GHADHO CC(C)(C)OC(=O)NCC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167988062 853460512 /nfs/dbraw/zinc/46/05/12/853460512.db2.gz ORDLTPFZZDDGDE-YOFSQIOKSA-N 1 3 377.573 3.629 20 0 GHADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000414991828 853479619 /nfs/dbraw/zinc/47/96/19/853479619.db2.gz BFXZCZBGOKNZLF-TVTNDZMWSA-N 1 3 399.510 3.534 20 0 GHADHO Fc1cccc(-c2ncnc3c2CC[N@@H+](C2CCN(CC4CC4)CC2)CC3)c1 ZINC001168377292 853562064 /nfs/dbraw/zinc/56/20/64/853562064.db2.gz BQTQVEIOVPBOMV-UHFFFAOYSA-N 1 3 380.511 3.558 20 0 GHADHO Fc1cccc(-c2ncnc3c2CC[N@H+](C2CCN(CC4CC4)CC2)CC3)c1 ZINC001168377292 853562067 /nfs/dbraw/zinc/56/20/67/853562067.db2.gz BQTQVEIOVPBOMV-UHFFFAOYSA-N 1 3 380.511 3.558 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCC[NH2+]C2CCCCC2)N2CCCC2)cc1 ZINC000520297814 854043527 /nfs/dbraw/zinc/04/35/27/854043527.db2.gz ODPAOGSYOJHXDM-QFIPXVFZSA-N 1 3 386.584 3.744 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCc4c(F)cccc43)CC2)CC1 ZINC000655119115 855043831 /nfs/dbraw/zinc/04/38/31/855043831.db2.gz HOZIAQJLAOGOJJ-QFIPXVFZSA-N 1 3 387.543 3.516 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000624101910 862652351 /nfs/dbraw/zinc/65/23/51/862652351.db2.gz FHGIKVNSJITDMZ-MJGOQNOKSA-N 1 3 388.543 3.576 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000590355134 855380302 /nfs/dbraw/zinc/38/03/02/855380302.db2.gz PHEKYAVOVMZOFO-UHFFFAOYSA-N 1 3 388.600 3.648 20 0 GHADHO CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168001752 855495626 /nfs/dbraw/zinc/49/56/26/855495626.db2.gz HDCNTDSAGRGTMH-MQEZQYLSSA-N 1 3 391.600 3.971 20 0 GHADHO CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168001752 855495630 /nfs/dbraw/zinc/49/56/30/855495630.db2.gz HDCNTDSAGRGTMH-MQEZQYLSSA-N 1 3 391.600 3.971 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674015778 862696235 /nfs/dbraw/zinc/69/62/35/862696235.db2.gz MOHRYPUTYLPKPB-UNMCSNQZSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674015778 862696237 /nfs/dbraw/zinc/69/62/37/862696237.db2.gz MOHRYPUTYLPKPB-UNMCSNQZSA-N 1 3 383.580 3.764 20 0 GHADHO CCCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000520610126 855787863 /nfs/dbraw/zinc/78/78/63/855787863.db2.gz VQOAHBWIZWRGRS-SIKLNZKXSA-N 1 3 386.584 3.555 20 0 GHADHO CCCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000520610126 855787872 /nfs/dbraw/zinc/78/78/72/855787872.db2.gz VQOAHBWIZWRGRS-SIKLNZKXSA-N 1 3 386.584 3.555 20 0 GHADHO CCOc1cccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000765868908 855839951 /nfs/dbraw/zinc/83/99/51/855839951.db2.gz UEEMDXRCBWPXBK-PGRDOPGGSA-N 1 3 395.547 3.633 20 0 GHADHO CCOc1cccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000765868908 855839958 /nfs/dbraw/zinc/83/99/58/855839958.db2.gz UEEMDXRCBWPXBK-PGRDOPGGSA-N 1 3 395.547 3.633 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000465826727 856154275 /nfs/dbraw/zinc/15/42/75/856154275.db2.gz QJGLMAWRHCGZNA-VXKWHMMOSA-N 1 3 386.584 3.648 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000465826727 856154280 /nfs/dbraw/zinc/15/42/80/856154280.db2.gz QJGLMAWRHCGZNA-VXKWHMMOSA-N 1 3 386.584 3.648 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)N2CCCC2)cc1 ZINC000591581741 856162886 /nfs/dbraw/zinc/16/28/86/856162886.db2.gz XDFYBNNPTRBPHY-VXKWHMMOSA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)N2CCCC2)cc1 ZINC000591581742 856164122 /nfs/dbraw/zinc/16/41/22/856164122.db2.gz XDFYBNNPTRBPHY-YADHBBJMSA-N 1 3 386.584 3.552 20 0 GHADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCN(C2CCCC2)CC1 ZINC000056764298 857107449 /nfs/dbraw/zinc/10/74/49/857107449.db2.gz YXNYWXHVQBCJBE-UHFFFAOYSA-N 1 3 384.568 3.807 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000669483516 857478933 /nfs/dbraw/zinc/47/89/33/857478933.db2.gz ABKKHBSRXXXQGX-XMSQKQJNSA-N 1 3 380.536 3.733 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000521103420 857602766 /nfs/dbraw/zinc/60/27/66/857602766.db2.gz OPOLWBWIUPODSV-NRFANRHFSA-N 1 3 399.623 3.908 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000521103420 857602768 /nfs/dbraw/zinc/60/27/68/857602768.db2.gz OPOLWBWIUPODSV-NRFANRHFSA-N 1 3 399.623 3.908 20 0 GHADHO OC[C@H]1CCCN(Cc2cc(Cl)cc(C[N@@H+]3CCC[C@H](CO)CC3)c2)CC1 ZINC000451077507 857617079 /nfs/dbraw/zinc/61/70/79/857617079.db2.gz KNZGEGFAOLFNEG-OALUTQOASA-N 1 3 394.987 3.529 20 0 GHADHO OC[C@H]1CCCN(Cc2cc(Cl)cc(C[N@H+]3CCC[C@H](CO)CC3)c2)CC1 ZINC000451077507 857617083 /nfs/dbraw/zinc/61/70/83/857617083.db2.gz KNZGEGFAOLFNEG-OALUTQOASA-N 1 3 394.987 3.529 20 0 GHADHO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCN(CC2CCCCC2)CC1 ZINC000065444589 857797312 /nfs/dbraw/zinc/79/73/12/857797312.db2.gz UTGYJGOHUDMTOE-UHFFFAOYSA-N 1 3 398.595 3.690 20 0 GHADHO CC(C)(C)C(=O)N1CCC(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000181681927 862971213 /nfs/dbraw/zinc/97/12/13/862971213.db2.gz SEVGSGHQITWSQJ-NRFANRHFSA-N 1 3 377.617 3.859 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2cc(-c3cnn(C)c3C)no2)CC1)CC1CC1 ZINC000467444998 858095920 /nfs/dbraw/zinc/09/59/20/858095920.db2.gz PXXBPAXSHURPKN-UHFFFAOYSA-N 1 3 385.556 3.718 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2cc(-c3cnn(C)c3C)no2)CC1)CC1CC1 ZINC000467444998 858095926 /nfs/dbraw/zinc/09/59/26/858095926.db2.gz PXXBPAXSHURPKN-UHFFFAOYSA-N 1 3 385.556 3.718 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1(C)C ZINC000442873412 858190566 /nfs/dbraw/zinc/19/05/66/858190566.db2.gz OZZDAPWDTFFRLJ-GOSISDBHSA-N 1 3 384.593 3.803 20 0 GHADHO CN1CCN(CC[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1(C)C ZINC000442875561 858191545 /nfs/dbraw/zinc/19/15/45/858191545.db2.gz PCXSXVSLPRGFOY-DEOSSOPVSA-N 1 3 379.592 3.846 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Nc2ccncc2)cc1 ZINC000605398784 863032593 /nfs/dbraw/zinc/03/25/93/863032593.db2.gz DNBXIYWJMHCGRP-QHCPKHFHSA-N 1 3 386.499 3.814 20 0 GHADHO Cc1ncsc1-c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657430885 858783109 /nfs/dbraw/zinc/78/31/09/858783109.db2.gz VYGPPFZEINLFOJ-QFIPXVFZSA-N 1 3 393.556 3.975 20 0 GHADHO Cc1ncsc1-c1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657430885 858783116 /nfs/dbraw/zinc/78/31/16/858783116.db2.gz VYGPPFZEINLFOJ-QFIPXVFZSA-N 1 3 393.556 3.975 20 0 GHADHO O=C(NC1CC1)[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000067986122 858817757 /nfs/dbraw/zinc/81/77/57/858817757.db2.gz CSWRZORNYKTKEY-QHCPKHFHSA-N 1 3 377.532 3.508 20 0 GHADHO C[C@@H]1CC(NCCNC(=O)Nc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168022405 859013006 /nfs/dbraw/zinc/01/30/06/859013006.db2.gz RWEAZIDCNUYVSA-RTBURBONSA-N 1 3 380.536 3.839 20 0 GHADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443602984 859041763 /nfs/dbraw/zinc/04/17/63/859041763.db2.gz PYXLAYLBSYJGSG-HXUWFJFHSA-N 1 3 383.580 3.548 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000081126512 859217814 /nfs/dbraw/zinc/21/78/14/859217814.db2.gz SPPXJIYYEAPFBZ-QHCPKHFHSA-N 1 3 377.532 3.629 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000081126512 859217822 /nfs/dbraw/zinc/21/78/22/859217822.db2.gz SPPXJIYYEAPFBZ-QHCPKHFHSA-N 1 3 377.532 3.629 20 0 GHADHO COCCN(C)c1ccc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000483301003 859280620 /nfs/dbraw/zinc/28/06/20/859280620.db2.gz ZDJFCTDTWNDXLD-HXUWFJFHSA-N 1 3 388.600 3.641 20 0 GHADHO COCCN(C)c1ccc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000483301003 859280629 /nfs/dbraw/zinc/28/06/29/859280629.db2.gz ZDJFCTDTWNDXLD-HXUWFJFHSA-N 1 3 388.600 3.641 20 0 GHADHO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)N(C)Cc1ccccc1 ZINC000550571367 859298473 /nfs/dbraw/zinc/29/84/73/859298473.db2.gz VIPAQRLRIILAIK-CGTJXYLNSA-N 1 3 399.501 3.532 20 0 GHADHO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)N(C)Cc1ccccc1 ZINC000550571367 859298483 /nfs/dbraw/zinc/29/84/83/859298483.db2.gz VIPAQRLRIILAIK-CGTJXYLNSA-N 1 3 399.501 3.532 20 0 GHADHO CC(C)c1ccc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051759752 859313882 /nfs/dbraw/zinc/31/38/82/859313882.db2.gz KUBMBYHCWYMRKS-UHFFFAOYSA-N 1 3 386.584 3.510 20 0 GHADHO COC(=O)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000597191484 859331172 /nfs/dbraw/zinc/33/11/72/859331172.db2.gz KMRKYUDPEJFADG-UHFFFAOYSA-N 1 3 387.911 3.523 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000483595736 859473241 /nfs/dbraw/zinc/47/32/41/859473241.db2.gz UFPHYAUEBABVMH-HSZRJFAPSA-N 1 3 377.532 3.784 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000483595736 859473245 /nfs/dbraw/zinc/47/32/45/859473245.db2.gz UFPHYAUEBABVMH-HSZRJFAPSA-N 1 3 377.532 3.784 20 0 GHADHO Cc1nc(-c2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2)cs1 ZINC000665390894 859525649 /nfs/dbraw/zinc/52/56/49/859525649.db2.gz RXABILOZIQWJCI-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO Cc1nc(-c2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2)cs1 ZINC000665390894 859525655 /nfs/dbraw/zinc/52/56/55/859525655.db2.gz RXABILOZIQWJCI-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO COc1c(Cl)cc(Cl)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000237302232 859691578 /nfs/dbraw/zinc/69/15/78/859691578.db2.gz HKFAPQWGXUIVGY-ZIAGYGMSSA-N 1 3 375.340 3.981 20 0 GHADHO Cc1nc2sc3c(c2c(N[C@@H]2CCN(C4CC[NH+](C)CC4)C2)n1)CCCCC3 ZINC000602234417 859865384 /nfs/dbraw/zinc/86/53/84/859865384.db2.gz LJKYALAEYWHZRI-MRXNPFEDSA-N 1 3 399.608 3.849 20 0 GHADHO Cc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c(N2CCOCC2)c1 ZINC000484289909 859926317 /nfs/dbraw/zinc/92/63/17/859926317.db2.gz CJHPZEBHODIGQQ-HXUWFJFHSA-N 1 3 397.563 3.623 20 0 GHADHO CCC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)c1ccccc1 ZINC000727309623 860041263 /nfs/dbraw/zinc/04/12/63/860041263.db2.gz DWVHMXBIYCGJLL-QHCPKHFHSA-N 1 3 394.563 3.898 20 0 GHADHO CCCN(C(=O)NCC[N@H+](CC)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000522446138 860278164 /nfs/dbraw/zinc/27/81/64/860278164.db2.gz KAIBLKUFXBPCAN-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO CCCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000522446138 860278178 /nfs/dbraw/zinc/27/81/78/860278178.db2.gz KAIBLKUFXBPCAN-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000116436062 860625739 /nfs/dbraw/zinc/62/57/39/860625739.db2.gz LTEWZWRPVBXJHQ-CVDCTZTESA-N 1 3 394.563 3.814 20 0 GHADHO CN1CCC(O)(C[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000265893623 860665168 /nfs/dbraw/zinc/66/51/68/860665168.db2.gz SELFPFRIKWJQBI-UHFFFAOYSA-N 1 3 390.959 3.505 20 0 GHADHO CC(C)(C)OC(=O)Nc1ccc(CNC2CCC(C)([NH+]3CCCC3)CC2)nn1 ZINC000896388474 860688090 /nfs/dbraw/zinc/68/80/90/860688090.db2.gz WOWCDQSWCUTKKG-UHFFFAOYSA-N 1 3 389.544 3.710 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605516 881580950 /nfs/dbraw/zinc/58/09/50/881580950.db2.gz CNKYEQQULKPRLW-QZTJIDSGSA-N 1 3 386.367 3.959 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605516 881580952 /nfs/dbraw/zinc/58/09/52/881580952.db2.gz CNKYEQQULKPRLW-QZTJIDSGSA-N 1 3 386.367 3.959 20 0 GHADHO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000498580862 860995408 /nfs/dbraw/zinc/99/54/08/860995408.db2.gz PVVZLFBVCRYKAR-GCJKJVERSA-N 1 3 386.584 3.774 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000481330689 861078509 /nfs/dbraw/zinc/07/85/09/861078509.db2.gz FJGVDKODFSILLQ-XUZZJYLKSA-N 1 3 387.612 3.686 20 0 GHADHO C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696705 863129911 /nfs/dbraw/zinc/12/99/11/863129911.db2.gz JLYKBVLOHBAEGW-NTKDMRAZSA-N 1 3 395.547 3.955 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000172064197 863149943 /nfs/dbraw/zinc/14/99/43/863149943.db2.gz FVTGXMHQEZLAPY-IAGOWNOFSA-N 1 3 390.959 3.720 20 0 GHADHO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000606622138 863741376 /nfs/dbraw/zinc/74/13/76/863741376.db2.gz UFFYZJNFHGZAFN-HKUYNNGSSA-N 1 3 392.613 3.551 20 0 GHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000159049731 864019099 /nfs/dbraw/zinc/01/90/99/864019099.db2.gz JRXCAPWMXPVMIC-GOSISDBHSA-N 1 3 390.572 3.712 20 0 GHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](c2ccccc2)C1 ZINC000480208662 864270350 /nfs/dbraw/zinc/27/03/50/864270350.db2.gz XBVBFYZBLWYIIH-OFNKIYASSA-N 1 3 391.559 3.645 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000554452056 864341023 /nfs/dbraw/zinc/34/10/23/864341023.db2.gz RCOZOJNYSIAYKB-QPTUXGOLSA-N 1 3 396.575 3.852 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000554443919 864356698 /nfs/dbraw/zinc/35/66/98/864356698.db2.gz VNRDMKILFJHVEC-FGZHOGPDSA-N 1 3 398.526 3.565 20 0 GHADHO Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nc(N)n1 ZINC000735490554 864826412 /nfs/dbraw/zinc/82/64/12/864826412.db2.gz UGKVWIXWYMEXFO-WMLDXEAASA-N 1 3 379.430 3.881 20 0 GHADHO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nc(N)n1 ZINC000735490554 864826430 /nfs/dbraw/zinc/82/64/30/864826430.db2.gz UGKVWIXWYMEXFO-WMLDXEAASA-N 1 3 379.430 3.881 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)N2CCCC2)cc1 ZINC000622452084 865001960 /nfs/dbraw/zinc/00/19/60/865001960.db2.gz INPNDRUVLIDHQV-QFIPXVFZSA-N 1 3 386.584 3.505 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1CN1CCCCC1 ZINC000840876799 865322486 /nfs/dbraw/zinc/32/24/86/865322486.db2.gz OIWNYCKGXGDCEX-KRWDZBQOSA-N 1 3 396.597 3.545 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@H]1C ZINC000481175107 865925415 /nfs/dbraw/zinc/92/54/15/865925415.db2.gz LUVWNKCUOGXMCX-TXTKFYIRSA-N 1 3 391.559 3.855 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000121110320 881926906 /nfs/dbraw/zinc/92/69/06/881926906.db2.gz JOGOVQSNZLYWLT-HZPDHXFCSA-N 1 3 381.948 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000121110320 881926910 /nfs/dbraw/zinc/92/69/10/881926910.db2.gz JOGOVQSNZLYWLT-HZPDHXFCSA-N 1 3 381.948 3.777 20 0 GHADHO C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000600014027 866035258 /nfs/dbraw/zinc/03/52/58/866035258.db2.gz ISKZAEPTVGHWAZ-JOCHJYFZSA-N 1 3 399.623 3.958 20 0 GHADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475548135 866237378 /nfs/dbraw/zinc/23/73/78/866237378.db2.gz AUTAFVPXWVDXPM-QHCPKHFHSA-N 1 3 386.499 3.594 20 0 GHADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475548135 866237396 /nfs/dbraw/zinc/23/73/96/866237396.db2.gz AUTAFVPXWVDXPM-QHCPKHFHSA-N 1 3 386.499 3.594 20 0 GHADHO Cc1ccc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000189681530 881974798 /nfs/dbraw/zinc/97/47/98/881974798.db2.gz ZREJFSGAJKCIMA-RBBKRZOGSA-N 1 3 396.535 3.502 20 0 GHADHO CC[C@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000153693813 867029857 /nfs/dbraw/zinc/02/98/57/867029857.db2.gz UJDULWDORRSABP-NOZRDPDXSA-N 1 3 393.575 3.914 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000154271477 867328649 /nfs/dbraw/zinc/32/86/49/867328649.db2.gz RGERORAZNLJBGK-OAHLLOKOSA-N 1 3 378.611 3.858 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479321155 867559975 /nfs/dbraw/zinc/55/99/75/867559975.db2.gz IOTBJNMSJREIAK-LJQANCHMSA-N 1 3 398.364 3.657 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000155674739 868022620 /nfs/dbraw/zinc/02/26/20/868022620.db2.gz XUKVRFLNXXCAAB-NFBKMPQASA-N 1 3 387.612 3.550 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258897 882151371 /nfs/dbraw/zinc/15/13/71/882151371.db2.gz IYVQQRSNEUFVPZ-RBBKRZOGSA-N 1 3 383.511 3.668 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258897 882151382 /nfs/dbraw/zinc/15/13/82/882151382.db2.gz IYVQQRSNEUFVPZ-RBBKRZOGSA-N 1 3 383.511 3.668 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)CC2CCCCC2)c1 ZINC000524135987 868615035 /nfs/dbraw/zinc/61/50/35/868615035.db2.gz ZSDNUVIMJSBCCF-UHFFFAOYSA-N 1 3 388.600 3.792 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)CC2CCCCC2)c1 ZINC000524135987 868615037 /nfs/dbraw/zinc/61/50/37/868615037.db2.gz ZSDNUVIMJSBCCF-UHFFFAOYSA-N 1 3 388.600 3.792 20 0 GHADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000479875445 868641513 /nfs/dbraw/zinc/64/15/13/868641513.db2.gz QQFBTRHRZZHVGY-OIBXWCBGSA-N 1 3 381.564 3.798 20 0 GHADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000479875445 868641521 /nfs/dbraw/zinc/64/15/21/868641521.db2.gz QQFBTRHRZZHVGY-OIBXWCBGSA-N 1 3 381.564 3.798 20 0 GHADHO FC(F)(F)c1cnc(OCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000181768714 869104951 /nfs/dbraw/zinc/10/49/51/869104951.db2.gz XWLCGEHSMCGCER-UONOGXRCSA-N 1 3 377.838 3.739 20 0 GHADHO FC(F)(F)c1cnc(OCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000181768714 869104969 /nfs/dbraw/zinc/10/49/69/869104969.db2.gz XWLCGEHSMCGCER-UONOGXRCSA-N 1 3 377.838 3.739 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000539825447 869833997 /nfs/dbraw/zinc/83/39/97/869833997.db2.gz SQZJAOMGTJFJOZ-ZJSXRUAMSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000539825447 869834009 /nfs/dbraw/zinc/83/40/09/869834009.db2.gz SQZJAOMGTJFJOZ-ZJSXRUAMSA-N 1 3 393.575 3.723 20 0 GHADHO CCSCc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000122086650 882395156 /nfs/dbraw/zinc/39/51/56/882395156.db2.gz NVSIQRLGOPEJKM-UHFFFAOYSA-N 1 3 390.597 3.620 20 0 GHADHO O=C(CN1CCC(CCC[NH+]2CCCC2)CC1)N(Cc1ccccc1)C1CC1 ZINC001192400336 870369769 /nfs/dbraw/zinc/36/97/69/870369769.db2.gz IBJVHWLOZCZSNK-UHFFFAOYSA-N 1 3 383.580 3.766 20 0 GHADHO C[C@H](NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248542100 870481260 /nfs/dbraw/zinc/48/12/60/870481260.db2.gz BWODLBUTBNUIIL-KNBMTAEXSA-N 1 3 384.486 3.851 20 0 GHADHO C[C@H](NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248542100 870481267 /nfs/dbraw/zinc/48/12/67/870481267.db2.gz BWODLBUTBNUIIL-KNBMTAEXSA-N 1 3 384.486 3.851 20 0 GHADHO CC[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CCCCC1 ZINC001192585116 870517039 /nfs/dbraw/zinc/51/70/39/870517039.db2.gz OMUDBTVHNAEIDR-JOCHJYFZSA-N 1 3 386.584 3.716 20 0 GHADHO Cc1nnc([C@@H]2CCCN(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)[nH]1 ZINC001192730447 870621739 /nfs/dbraw/zinc/62/17/39/870621739.db2.gz ILEKCZCCFHVINZ-JOCHJYFZSA-N 1 3 381.568 3.637 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000508867375 870636580 /nfs/dbraw/zinc/63/65/80/870636580.db2.gz COCSLGDEASAGJE-MHYXUVESSA-N 1 3 386.540 3.699 20 0 GHADHO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000461698069 870752924 /nfs/dbraw/zinc/75/29/24/870752924.db2.gz KDZRHJXVKFWFOA-OXJNMPFZSA-N 1 3 399.501 3.534 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000089512907 870989354 /nfs/dbraw/zinc/98/93/54/870989354.db2.gz ZIYILKUHHXSUJZ-MRXNPFEDSA-N 1 3 379.976 3.930 20 0 GHADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)N(C)C)c1 ZINC000463138014 870990721 /nfs/dbraw/zinc/99/07/21/870990721.db2.gz NWGOVPPYPACDSG-KWOQKUFVSA-N 1 3 381.564 3.941 20 0 GHADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)c1 ZINC000463138014 870990730 /nfs/dbraw/zinc/99/07/30/870990730.db2.gz NWGOVPPYPACDSG-KWOQKUFVSA-N 1 3 381.564 3.941 20 0 GHADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)c1 ZINC000463138014 870990746 /nfs/dbraw/zinc/99/07/46/870990746.db2.gz NWGOVPPYPACDSG-KWOQKUFVSA-N 1 3 381.564 3.941 20 0 GHADHO COC(=O)[C@](C)(CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000447094881 871014943 /nfs/dbraw/zinc/01/49/43/871014943.db2.gz AUJQACQMOQHNFH-JKFKMHIGSA-N 1 3 398.522 3.899 20 0 GHADHO COC(=O)[C@](C)(CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000447094881 871014957 /nfs/dbraw/zinc/01/49/57/871014957.db2.gz AUJQACQMOQHNFH-JKFKMHIGSA-N 1 3 398.522 3.899 20 0 GHADHO COc1ccccc1-c1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000174409093 882467524 /nfs/dbraw/zinc/46/75/24/882467524.db2.gz UUOMDWBRJPXAHD-HXUWFJFHSA-N 1 3 380.532 3.953 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000251514069 871145020 /nfs/dbraw/zinc/14/50/20/871145020.db2.gz JAISLOCNENVASQ-FGCOXFRFSA-N 1 3 391.559 3.850 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000251514069 871145030 /nfs/dbraw/zinc/14/50/30/871145030.db2.gz JAISLOCNENVASQ-FGCOXFRFSA-N 1 3 391.559 3.850 20 0 GHADHO COc1cccc(C[C@H](NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc2)c1 ZINC000539060281 871201544 /nfs/dbraw/zinc/20/15/44/871201544.db2.gz TYMVAVWOUUWNJF-ISJGIBHGSA-N 1 3 394.559 3.946 20 0 GHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(Br)cc1C(F)(F)F ZINC000539066644 871240993 /nfs/dbraw/zinc/24/09/93/871240993.db2.gz PIYUMUFFZDGGSH-RISCZKNCSA-N 1 3 395.263 3.777 20 0 GHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(Br)cc1C(F)(F)F ZINC000539066644 871241008 /nfs/dbraw/zinc/24/10/08/871241008.db2.gz PIYUMUFFZDGGSH-RISCZKNCSA-N 1 3 395.263 3.777 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCc4cccc(N5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000550857475 882518949 /nfs/dbraw/zinc/51/89/49/882518949.db2.gz UHOMKROZFHAHEN-CAOCKLPOSA-N 1 3 391.559 3.523 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCc4cccc(N5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000550857475 882518958 /nfs/dbraw/zinc/51/89/58/882518958.db2.gz UHOMKROZFHAHEN-CAOCKLPOSA-N 1 3 391.559 3.523 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]Cc4cccc(N5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000550857475 882518970 /nfs/dbraw/zinc/51/89/70/882518970.db2.gz UHOMKROZFHAHEN-CAOCKLPOSA-N 1 3 391.559 3.523 20 0 GHADHO COC(=O)c1coc([C@@H](C)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000447531359 871788893 /nfs/dbraw/zinc/78/88/93/871788893.db2.gz PMINTMTXSKKPAF-MRXNPFEDSA-N 1 3 386.492 3.638 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000552044048 871925174 /nfs/dbraw/zinc/92/51/74/871925174.db2.gz NHIKZQTWYCCHBN-XQUALCHDSA-N 1 3 386.580 3.710 20 0 GHADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CCO1 ZINC000540733581 872021639 /nfs/dbraw/zinc/02/16/39/872021639.db2.gz TVLVWSUGYWZATN-NZQKXSOJSA-N 1 3 379.548 3.666 20 0 GHADHO CCCCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000115675705 882587661 /nfs/dbraw/zinc/58/76/61/882587661.db2.gz MXEAASNQFMJLDA-HXUWFJFHSA-N 1 3 380.621 3.839 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC([NH+](CC)CC)CC1)c1ccsc1 ZINC000079981566 872448793 /nfs/dbraw/zinc/44/87/93/872448793.db2.gz ALCLYXYVMOMGGY-IBGZPJMESA-N 1 3 380.602 3.647 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]1NC[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196457696 873141041 /nfs/dbraw/zinc/14/10/41/873141041.db2.gz DXJKBYRZIYVLLN-ZLNRFVROSA-N 1 3 380.532 3.834 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]1NC[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196457696 873141047 /nfs/dbraw/zinc/14/10/47/873141047.db2.gz DXJKBYRZIYVLLN-ZLNRFVROSA-N 1 3 380.532 3.834 20 0 GHADHO Cc1cc(C)c(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1C ZINC000076331153 882718962 /nfs/dbraw/zinc/71/89/62/882718962.db2.gz PTNYXHDWPRVBGR-UHFFFAOYSA-N 1 3 379.548 3.727 20 0 GHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000541350929 873413660 /nfs/dbraw/zinc/41/36/60/873413660.db2.gz PEYRVDNCQRUBSW-HXUWFJFHSA-N 1 3 391.987 3.743 20 0 GHADHO CC(C)Oc1cc(Cl)c(CNCCC[N@@H+]2CCCN(C)CC2)cc1Cl ZINC000527654923 873450830 /nfs/dbraw/zinc/45/08/30/873450830.db2.gz WZJRWJNHCPKHHP-UHFFFAOYSA-N 1 3 388.383 3.898 20 0 GHADHO CC(C)Oc1cc(Cl)c(CNCCC[N@H+]2CCCN(C)CC2)cc1Cl ZINC000527654923 873450832 /nfs/dbraw/zinc/45/08/32/873450832.db2.gz WZJRWJNHCPKHHP-UHFFFAOYSA-N 1 3 388.383 3.898 20 0 GHADHO Cc1cc(Cl)ccc1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000769216751 873896834 /nfs/dbraw/zinc/89/68/34/873896834.db2.gz JHQVAGVVWZAUCG-UHFFFAOYSA-N 1 3 391.987 3.853 20 0 GHADHO O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000160495211 874099827 /nfs/dbraw/zinc/09/98/27/874099827.db2.gz SMLDROWEUVZECS-UHFFFAOYSA-N 1 3 389.971 3.941 20 0 GHADHO c1c2cccnc2oc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000449090178 874487885 /nfs/dbraw/zinc/48/78/85/874487885.db2.gz MHGYNCSZLJJTAD-UHFFFAOYSA-N 1 3 378.520 3.515 20 0 GHADHO C[C@H](CNCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449093581 874495202 /nfs/dbraw/zinc/49/52/02/874495202.db2.gz PCUKQHYJXHGXRO-FGTMMUONSA-N 1 3 380.598 3.540 20 0 GHADHO C[C@H](CNCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449093581 874495211 /nfs/dbraw/zinc/49/52/11/874495211.db2.gz PCUKQHYJXHGXRO-FGTMMUONSA-N 1 3 380.598 3.540 20 0 GHADHO Cn1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c(-c2ccc(F)cc2)n1 ZINC000449127356 874510802 /nfs/dbraw/zinc/51/08/02/874510802.db2.gz WKCCQHPKFFZQDI-HXUWFJFHSA-N 1 3 392.522 3.880 20 0 GHADHO C[C@@H](NCc1ccnn1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000449130771 874517099 /nfs/dbraw/zinc/51/70/99/874517099.db2.gz HSLBHIPRNPNNEQ-QGZVFWFLSA-N 1 3 385.531 3.740 20 0 GHADHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C3(C2)CCOCC3)cc1 ZINC000449346117 874739954 /nfs/dbraw/zinc/73/99/54/874739954.db2.gz YJUJDFRLTVYXMP-YADHBBJMSA-N 1 3 384.564 3.607 20 0 GHADHO CCN1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542106823 874968551 /nfs/dbraw/zinc/96/85/51/874968551.db2.gz VQVGKPJQQSEERP-FPOVZHCZSA-N 1 3 381.486 3.703 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H](c5ccncc5)C4)[C@@H]3C2)cc1 ZINC000449532803 875015059 /nfs/dbraw/zinc/01/50/59/875015059.db2.gz DQHGZICQVVRKRZ-JTKSJCOOSA-N 1 3 377.532 3.802 20 0 GHADHO COc1ccccc1-c1ncc(CNCc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000491357526 875634024 /nfs/dbraw/zinc/63/40/24/875634024.db2.gz AGRAQGIEUIUZAO-UHFFFAOYSA-N 1 3 380.467 3.643 20 0 GHADHO COc1ccccc1-c1ncc(C[NH2+]Cc2ccc(F)c(CN(C)C)c2)cn1 ZINC000491357526 875634029 /nfs/dbraw/zinc/63/40/29/875634029.db2.gz AGRAQGIEUIUZAO-UHFFFAOYSA-N 1 3 380.467 3.643 20 0 GHADHO C[NH+]1CCC(n2cc(NC3=C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)CC1 ZINC001201475736 875729707 /nfs/dbraw/zinc/72/97/07/875729707.db2.gz UZXDUJRDLKGKNB-PKTZIBPZSA-N 1 3 377.536 3.883 20 0 GHADHO Cc1cc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC001202377952 876174303 /nfs/dbraw/zinc/17/43/03/876174303.db2.gz LJUCVABXZUATNF-ZDUSSCGKSA-N 1 3 375.344 3.695 20 0 GHADHO Cc1cc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC001202377952 876174307 /nfs/dbraw/zinc/17/43/07/876174307.db2.gz LJUCVABXZUATNF-ZDUSSCGKSA-N 1 3 375.344 3.695 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2C1 ZINC000850035975 876620159 /nfs/dbraw/zinc/62/01/59/876620159.db2.gz BZYSRNZMEHTHBF-UHFFFAOYSA-N 1 3 399.579 3.944 20 0 GHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786804533 876963792 /nfs/dbraw/zinc/96/37/92/876963792.db2.gz MDZSXVLGRDEXKJ-SFHVURJKSA-N 1 3 380.536 3.907 20 0 GHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786804533 876963802 /nfs/dbraw/zinc/96/38/02/876963802.db2.gz MDZSXVLGRDEXKJ-SFHVURJKSA-N 1 3 380.536 3.907 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)ccc1OC ZINC000850561939 877028090 /nfs/dbraw/zinc/02/80/90/877028090.db2.gz LROXQAHJWIIAAJ-WZONZLPQSA-N 1 3 392.584 3.755 20 0 GHADHO COc1cc(OC)c(C2CCN([C@@H](C)c3ccc(C[NH3+])nc3C)CC2)c(OC)c1 ZINC000530210335 877301295 /nfs/dbraw/zinc/30/12/95/877301295.db2.gz JSMFLEBBYOXSOY-INIZCTEOSA-N 1 3 399.535 3.815 20 0 GHADHO C[C@H](CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000530248704 877332108 /nfs/dbraw/zinc/33/21/08/877332108.db2.gz OJAXLSUEQQKMCD-DNVCBOLYSA-N 1 3 381.358 3.643 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CN2CCC([NH2+]Cc3ccccc3)CC2)CC1 ZINC000852114371 878081597 /nfs/dbraw/zinc/08/15/97/878081597.db2.gz FOKDAEDXSIOFPA-UHFFFAOYSA-N 1 3 387.568 3.888 20 0 GHADHO COC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)[C@@H]1CCCO1 ZINC000788620228 878215166 /nfs/dbraw/zinc/21/51/66/878215166.db2.gz VQXGIPWQLVMSMZ-XJABCFGWSA-N 1 3 376.541 3.526 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000537962006 878596874 /nfs/dbraw/zinc/59/68/74/878596874.db2.gz HASLCMAODIVSDX-YTFSRNRJSA-N 1 3 384.564 3.747 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(OC)c3oc(C(=O)OC)cc32)c1 ZINC000530904451 878720610 /nfs/dbraw/zinc/72/06/10/878720610.db2.gz YDNUCAZDPVCYHH-UHFFFAOYSA-N 1 3 396.487 3.970 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(OC)c3oc(C(=O)OC)cc32)c1 ZINC000530904451 878720633 /nfs/dbraw/zinc/72/06/33/878720633.db2.gz YDNUCAZDPVCYHH-UHFFFAOYSA-N 1 3 396.487 3.970 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000246072483 878931328 /nfs/dbraw/zinc/93/13/28/878931328.db2.gz BRVBPFBLTDVEQB-VWNXMTODSA-N 1 3 391.559 3.860 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000246072483 878931334 /nfs/dbraw/zinc/93/13/34/878931334.db2.gz BRVBPFBLTDVEQB-VWNXMTODSA-N 1 3 391.559 3.860 20 0 GHADHO C[C@H]1CC[C@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140384 879814798 /nfs/dbraw/zinc/81/47/98/879814798.db2.gz XSBVHFDJMGIHRX-RXOYHEDQSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H]1CC[C@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140384 879814812 /nfs/dbraw/zinc/81/48/12/879814812.db2.gz XSBVHFDJMGIHRX-RXOYHEDQSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000246996268 879875584 /nfs/dbraw/zinc/87/55/84/879875584.db2.gz LDJIIZZDXOVEBH-FGTMMUONSA-N 1 3 388.556 3.511 20 0 GHADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3ccc(Cl)cc3Cl)CC2)C1=O ZINC001275202033 912604951 /nfs/dbraw/zinc/60/49/51/912604951.db2.gz MDOHMUVZUGVEAK-HXUWFJFHSA-N 1 3 398.378 3.760 20 0 GHADHO Fc1ccc(OC2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cn1 ZINC000792183493 880971406 /nfs/dbraw/zinc/97/14/06/880971406.db2.gz LFQSLCJYGVAYTQ-UHFFFAOYSA-N 1 3 399.510 3.739 20 0 GHADHO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000792279559 881010395 /nfs/dbraw/zinc/01/03/95/881010395.db2.gz CYZXPWRQAWSWAU-TZIWHRDSSA-N 1 3 394.563 3.581 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490915 883141621 /nfs/dbraw/zinc/14/16/21/883141621.db2.gz SIIJKKXSYZKJJU-FUHWJXTLSA-N 1 3 390.572 3.797 20 0 GHADHO c1ncn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCCN4Cc4ccccc4)C3)cc2)n1 ZINC000537694589 883205861 /nfs/dbraw/zinc/20/58/61/883205861.db2.gz OCESKACOIWVAEY-ISKFKSNPSA-N 1 3 387.531 3.754 20 0 GHADHO c1ncn(-c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCCN4Cc4ccccc4)C3)cc2)n1 ZINC000537694589 883205874 /nfs/dbraw/zinc/20/58/74/883205874.db2.gz OCESKACOIWVAEY-ISKFKSNPSA-N 1 3 387.531 3.754 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2cccnc2-n2cccn2)ccc1OC ZINC000182354679 883216347 /nfs/dbraw/zinc/21/63/47/883216347.db2.gz STJDJFWGXQIFKC-SFHVURJKSA-N 1 3 393.535 3.969 20 0 GHADHO Cc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c(Cl)c1 ZINC001211910987 883513614 /nfs/dbraw/zinc/51/36/14/883513614.db2.gz OEXMTOAAOWZJTE-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c(Cl)c1 ZINC001211910987 883513618 /nfs/dbraw/zinc/51/36/18/883513618.db2.gz OEXMTOAAOWZJTE-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(CN(C)C)c4c3OC(F)(F)O4)C2)n1 ZINC001183671361 912718775 /nfs/dbraw/zinc/71/87/75/912718775.db2.gz HFMWFBMHGIYFTP-OAHLLOKOSA-N 1 3 395.475 3.824 20 0 GHADHO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(CN(C)C)c4c3OC(F)(F)O4)C2)n1 ZINC001183671361 912718814 /nfs/dbraw/zinc/71/88/14/912718814.db2.gz HFMWFBMHGIYFTP-OAHLLOKOSA-N 1 3 395.475 3.824 20 0 GHADHO Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000666972380 883532341 /nfs/dbraw/zinc/53/23/41/883532341.db2.gz YJJZCZANBZCGCA-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000666972380 883532349 /nfs/dbraw/zinc/53/23/49/883532349.db2.gz YJJZCZANBZCGCA-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccco1 ZINC000476986354 883540859 /nfs/dbraw/zinc/54/08/59/883540859.db2.gz VKTKQQRKYXGVEJ-GHTZIAJQSA-N 1 3 398.551 3.804 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCN1C ZINC000666172364 883782365 /nfs/dbraw/zinc/78/23/65/883782365.db2.gz NWUFPSFSMCOIBR-IBURTVSXSA-N 1 3 381.539 3.866 20 0 GHADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233121 884178206 /nfs/dbraw/zinc/17/82/06/884178206.db2.gz MRZUESYAXJMUGK-PSWRPDDJSA-N 1 3 386.580 3.564 20 0 GHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233496 884183816 /nfs/dbraw/zinc/18/38/16/884183816.db2.gz PWVPDALHJXLQHF-BHIFYINESA-N 1 3 386.580 3.708 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000191538243 884198141 /nfs/dbraw/zinc/19/81/41/884198141.db2.gz UCEBRUNTANDEPV-SFTDATJTSA-N 1 3 393.641 3.832 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000191538243 884198148 /nfs/dbraw/zinc/19/81/48/884198148.db2.gz UCEBRUNTANDEPV-SFTDATJTSA-N 1 3 393.641 3.832 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000859995332 884248505 /nfs/dbraw/zinc/24/85/05/884248505.db2.gz PJVBNNZDOKZNFF-UHFFFAOYSA-N 1 3 380.488 3.885 20 0 GHADHO CCC(=O)N1CC[C@@H](N[C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000556264887 884283534 /nfs/dbraw/zinc/28/35/34/884283534.db2.gz WWTZMIMHDZPRJA-YADHBBJMSA-N 1 3 389.559 3.979 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@H]3CCc4cc(Cl)ccc43)cc2)CC1 ZINC000666254669 884454126 /nfs/dbraw/zinc/45/41/26/884454126.db2.gz TYZGFLMIFMNXST-QFIPXVFZSA-N 1 3 397.950 3.814 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)N(C)C)cc1 ZINC000072044305 885458876 /nfs/dbraw/zinc/45/88/76/885458876.db2.gz CNILQRPLRGDASO-GOTSBHOMSA-N 1 3 394.563 3.734 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cc(-c4ccco4)ncn3)c3ccccc23)CC1 ZINC001170526260 885491397 /nfs/dbraw/zinc/49/13/97/885491397.db2.gz SCDAVMDZKGMFMX-UHFFFAOYSA-N 1 3 387.487 3.646 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3c(Cl)ncnc3Cl)c3ccccc23)CC1 ZINC001170528089 885539684 /nfs/dbraw/zinc/53/96/84/885539684.db2.gz GUQOAVOOLLSHND-UHFFFAOYSA-N 1 3 390.318 3.693 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1C ZINC000532569027 886130117 /nfs/dbraw/zinc/13/01/17/886130117.db2.gz VOQKFSYIDNHSRH-LAUBAEHRSA-N 1 3 397.567 3.622 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1C ZINC000532569027 886130125 /nfs/dbraw/zinc/13/01/25/886130125.db2.gz VOQKFSYIDNHSRH-LAUBAEHRSA-N 1 3 397.567 3.622 20 0 GHADHO C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000556814141 886230391 /nfs/dbraw/zinc/23/03/91/886230391.db2.gz YIXBBHKTFRERQG-AEFFLSMTSA-N 1 3 387.474 3.794 20 0 GHADHO Cc1nc(CCN(C)[C@H]2CCC[N@H+](CCc3csc(C)n3)CC2)cs1 ZINC000132246055 887637204 /nfs/dbraw/zinc/63/72/04/887637204.db2.gz BJFRJGLELKIHDA-IBGZPJMESA-N 1 3 378.611 3.788 20 0 GHADHO Cc1nc(CCN(C)[C@H]2CCC[N@@H+](CCc3csc(C)n3)CC2)cs1 ZINC000132246055 887637208 /nfs/dbraw/zinc/63/72/08/887637208.db2.gz BJFRJGLELKIHDA-IBGZPJMESA-N 1 3 378.611 3.788 20 0 GHADHO C[C@@H]1CN(c2ccccc2C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459360741 887672764 /nfs/dbraw/zinc/67/27/64/887672764.db2.gz YSLQKCAMBMIFGC-GGAORHGYSA-N 1 3 393.575 3.866 20 0 GHADHO C[C@@H]1CN(c2ccccc2C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459360741 887672769 /nfs/dbraw/zinc/67/27/69/887672769.db2.gz YSLQKCAMBMIFGC-GGAORHGYSA-N 1 3 393.575 3.866 20 0 GHADHO CC(C)Oc1ccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000130191688 887744778 /nfs/dbraw/zinc/74/47/78/887744778.db2.gz FCXOQFOFYXKWKC-UHFFFAOYSA-N 1 3 395.547 3.589 20 0 GHADHO C[NH+]1CCC(N(Cc2ccco2)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000809763216 887804531 /nfs/dbraw/zinc/80/45/31/887804531.db2.gz LUCZSWXQZNUQPV-UHFFFAOYSA-N 1 3 391.556 3.823 20 0 GHADHO OC1(CNCc2ccccc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000397624204 888193742 /nfs/dbraw/zinc/19/37/42/888193742.db2.gz JXDAFHLRMBCUJC-UHFFFAOYSA-N 1 3 389.337 3.566 20 0 GHADHO C[C@H](NCc1ccc(C2(C)OCCO2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000866420426 888864699 /nfs/dbraw/zinc/86/46/99/888864699.db2.gz DGHBDQCODMANSC-SFHVURJKSA-N 1 3 384.520 3.697 20 0 GHADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)COCc1ccccc1Cl ZINC000644513644 913327342 /nfs/dbraw/zinc/32/73/42/913327342.db2.gz HMVCXLCOCFAQDW-NRFANRHFSA-N 1 3 388.939 3.603 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)c(C)c2)CC1 ZINC000868185471 889341575 /nfs/dbraw/zinc/34/15/75/889341575.db2.gz CJLBYASSJKGXCA-LEWJYISDSA-N 1 3 393.535 3.596 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000644530611 913345675 /nfs/dbraw/zinc/34/56/75/913345675.db2.gz KPMPLAFLOZMFKJ-XZOQPEGZSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644530611 913345708 /nfs/dbraw/zinc/34/57/08/913345708.db2.gz KPMPLAFLOZMFKJ-XZOQPEGZSA-N 1 3 382.548 3.545 20 0 GHADHO Fc1cccnc1N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245735039 889562164 /nfs/dbraw/zinc/56/21/64/889562164.db2.gz QSCYNZHRTUJXHF-MXEMCNAFSA-N 1 3 380.511 3.585 20 0 GHADHO Fc1cccnc1N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245735039 889562177 /nfs/dbraw/zinc/56/21/77/889562177.db2.gz QSCYNZHRTUJXHF-MXEMCNAFSA-N 1 3 380.511 3.585 20 0 GHADHO C[C@@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000465538262 890192306 /nfs/dbraw/zinc/19/23/06/890192306.db2.gz GTNGVKOBERWILB-HKBOAZHASA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000465538262 890192309 /nfs/dbraw/zinc/19/23/09/890192309.db2.gz GTNGVKOBERWILB-HKBOAZHASA-N 1 3 386.584 3.555 20 0 GHADHO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000126659282 890636267 /nfs/dbraw/zinc/63/62/67/890636267.db2.gz STDHFLYQUBWXCZ-IBGZPJMESA-N 1 3 397.563 3.610 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)[C@H](C)c1nc2ccccc2s1 ZINC000873247452 891548455 /nfs/dbraw/zinc/54/84/55/891548455.db2.gz MVJCNVROPUVKPW-LSDHHAIUSA-N 1 3 392.532 3.618 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)[C@H](C)c1nc2ccccc2s1 ZINC000873247450 891548553 /nfs/dbraw/zinc/54/85/53/891548553.db2.gz MVJCNVROPUVKPW-GJZGRUSLSA-N 1 3 392.532 3.618 20 0 GHADHO O[C@H](CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)c(F)c1 ZINC000813370639 891555202 /nfs/dbraw/zinc/55/52/02/891555202.db2.gz IDSIOJCCAGCCGA-JOCHJYFZSA-N 1 3 386.486 3.986 20 0 GHADHO CCO[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000813881349 892064530 /nfs/dbraw/zinc/06/45/30/892064530.db2.gz OUHLYUAIFSQQTJ-RALVGALMSA-N 1 3 384.564 3.888 20 0 GHADHO CCO[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000813881349 892064547 /nfs/dbraw/zinc/06/45/47/892064547.db2.gz OUHLYUAIFSQQTJ-RALVGALMSA-N 1 3 384.564 3.888 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696466 893330244 /nfs/dbraw/zinc/33/02/44/893330244.db2.gz HYQXEFSXUWHHMQ-RPWUZVMVSA-N 1 3 398.639 3.785 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696466 893330262 /nfs/dbraw/zinc/33/02/62/893330262.db2.gz HYQXEFSXUWHHMQ-RPWUZVMVSA-N 1 3 398.639 3.785 20 0 GHADHO C[C@H](NCc1cccc(Cn2cccn2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000129406642 893358619 /nfs/dbraw/zinc/35/86/19/893358619.db2.gz PVDCOLSASQQYRO-IBGZPJMESA-N 1 3 378.520 3.723 20 0 GHADHO [NH3+]C[C@@H]1CN(Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC12CCOCC2 ZINC000563135076 893397674 /nfs/dbraw/zinc/39/76/74/893397674.db2.gz DUONNEKMYFXCGS-QGZVFWFLSA-N 1 3 388.458 3.944 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)ccn1 ZINC000877646093 893741092 /nfs/dbraw/zinc/74/10/92/893741092.db2.gz CTOIRZDSCDNPRF-OAQYLSRUSA-N 1 3 391.519 3.518 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)ccn1 ZINC000877646093 893741106 /nfs/dbraw/zinc/74/11/06/893741106.db2.gz CTOIRZDSCDNPRF-OAQYLSRUSA-N 1 3 391.519 3.518 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000536999634 894204714 /nfs/dbraw/zinc/20/47/14/894204714.db2.gz VNKBAXLHMNJVID-FQEVSTJZSA-N 1 3 397.485 3.689 20 0 GHADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000537014411 894221998 /nfs/dbraw/zinc/22/19/98/894221998.db2.gz MTGYJNQZNTZDOK-SFHVURJKSA-N 1 3 399.966 3.886 20 0 GHADHO C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC001135563927 894800270 /nfs/dbraw/zinc/80/02/70/894800270.db2.gz OLMNPEINWUVRIC-YKSBVNFPSA-N 1 3 393.575 3.749 20 0 GHADHO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249566 894931849 /nfs/dbraw/zinc/93/18/49/894931849.db2.gz URPNAYUYJZDIIF-ROUUACIJSA-N 1 3 375.582 3.608 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](c4ccccc4C)C[C@H]3C)CC2)CC1 ZINC000565187779 895448217 /nfs/dbraw/zinc/44/82/17/895448217.db2.gz ISSRKKLQUFYPNB-IFMALSPDSA-N 1 3 397.607 3.896 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](c4ccccc4C)C[C@H]3C)CC2)CC1 ZINC000565187785 895448697 /nfs/dbraw/zinc/44/86/97/895448697.db2.gz ISSRKKLQUFYPNB-IRLDBZIGSA-N 1 3 397.607 3.896 20 0 GHADHO Cc1cccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319511 895530049 /nfs/dbraw/zinc/53/00/49/895530049.db2.gz VFCBQBCERBLDIA-GVAUOCQISA-N 1 3 393.575 3.793 20 0 GHADHO Cc1cccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319511 895530054 /nfs/dbraw/zinc/53/00/54/895530054.db2.gz VFCBQBCERBLDIA-GVAUOCQISA-N 1 3 393.575 3.793 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)Nc3cccc(F)c3)C2)s1 ZINC000565661467 895791403 /nfs/dbraw/zinc/79/14/03/895791403.db2.gz SXXJYSYQLNYJAS-KRWDZBQOSA-N 1 3 389.540 3.978 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)Nc3cccc(F)c3)C2)s1 ZINC000565661467 895791433 /nfs/dbraw/zinc/79/14/33/895791433.db2.gz SXXJYSYQLNYJAS-KRWDZBQOSA-N 1 3 389.540 3.978 20 0 GHADHO [NH3+]CCc1ccc(CN[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)cc1 ZINC000817949265 895975137 /nfs/dbraw/zinc/97/51/37/895975137.db2.gz PKLFASRTMOUAGQ-UXHICEINSA-N 1 3 389.337 3.960 20 0 GHADHO COc1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1OC ZINC000566010409 896046056 /nfs/dbraw/zinc/04/60/56/896046056.db2.gz SLUUBRYWUFAXPB-DLBZAZTESA-N 1 3 387.549 3.649 20 0 GHADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)c1ccccc1Br ZINC000818942508 896285802 /nfs/dbraw/zinc/28/58/02/896285802.db2.gz FKRNHANCQROUHI-HXUWFJFHSA-N 1 3 389.337 3.868 20 0 GHADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Br)c1 ZINC000818953159 896292133 /nfs/dbraw/zinc/29/21/33/896292133.db2.gz HIVPPMIVTKPTHK-FQEVSTJZSA-N 1 3 389.337 3.868 20 0 GHADHO COc1ccc(OC)c([C@H](O)CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000818959478 896297162 /nfs/dbraw/zinc/29/71/62/896297162.db2.gz LKHFXRWKGCLNIN-FDDCHVKYSA-N 1 3 398.547 3.759 20 0 GHADHO COc1ccc(OC)c([C@H](O)CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000818959478 896297175 /nfs/dbraw/zinc/29/71/75/896297175.db2.gz LKHFXRWKGCLNIN-FDDCHVKYSA-N 1 3 398.547 3.759 20 0 GHADHO CCCCN1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000819042488 896336117 /nfs/dbraw/zinc/33/61/17/896336117.db2.gz JBOQIULRAKQVIE-GOSISDBHSA-N 1 3 387.337 3.650 20 0 GHADHO C(C[C@@H]1CCOC1)CN1CCC[C@@]2(CCC[N@H+](CCC[C@H]3CCOC3)C2)C1 ZINC000645917890 914123525 /nfs/dbraw/zinc/12/35/25/914123525.db2.gz DADHQGJWZUDVHW-XPWALMASSA-N 1 3 378.601 3.798 20 0 GHADHO C(C[C@@H]1CCOC1)CN1CCC[C@@]2(CCC[N@@H+](CCC[C@H]3CCOC3)C2)C1 ZINC000645917890 914123531 /nfs/dbraw/zinc/12/35/31/914123531.db2.gz DADHQGJWZUDVHW-XPWALMASSA-N 1 3 378.601 3.798 20 0 GHADHO C(C[C@@H]1CCOC1)C[N@H+]1CCC[C@@]2(CCCN(CCC[C@H]3CCOC3)C2)C1 ZINC000645917890 914123542 /nfs/dbraw/zinc/12/35/42/914123542.db2.gz DADHQGJWZUDVHW-XPWALMASSA-N 1 3 378.601 3.798 20 0 GHADHO C(C[C@@H]1CCOC1)C[N@@H+]1CCC[C@@]2(CCCN(CCC[C@H]3CCOC3)C2)C1 ZINC000645917890 914123550 /nfs/dbraw/zinc/12/35/50/914123550.db2.gz DADHQGJWZUDVHW-XPWALMASSA-N 1 3 378.601 3.798 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000568205407 897673148 /nfs/dbraw/zinc/67/31/48/897673148.db2.gz MZJYOXLZDOOURH-KRWDZBQOSA-N 1 3 383.536 3.806 20 0 GHADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001136428820 897803581 /nfs/dbraw/zinc/80/35/81/897803581.db2.gz NNWWRGLYFRUCDL-QFIPXVFZSA-N 1 3 385.596 3.664 20 0 GHADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001136428820 897803587 /nfs/dbraw/zinc/80/35/87/897803587.db2.gz NNWWRGLYFRUCDL-QFIPXVFZSA-N 1 3 385.596 3.664 20 0 GHADHO Cc1nn(-c2ccccn2)c(Cl)c1CNCCCCC[NH+]1CCCCC1 ZINC000796299398 914226146 /nfs/dbraw/zinc/22/61/46/914226146.db2.gz JREHQGZXYBEKNY-UHFFFAOYSA-N 1 3 375.948 3.975 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)CC1 ZINC000108790962 898402014 /nfs/dbraw/zinc/40/20/14/898402014.db2.gz FAIPKDXCEKQCCH-RPWUZVMVSA-N 1 3 391.559 3.618 20 0 GHADHO C[NH+]1CCC2(CC1)CN(CC/C=C\c1ccc(Br)cc1)CCO2 ZINC000646104206 914260193 /nfs/dbraw/zinc/26/01/93/914260193.db2.gz BGHWJBTYARXTBP-RQOWECAXSA-N 1 3 379.342 3.649 20 0 GHADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001136651576 898767296 /nfs/dbraw/zinc/76/72/96/898767296.db2.gz MTMSYEFVSARQPB-QHCPKHFHSA-N 1 3 391.559 3.667 20 0 GHADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001136651576 898767299 /nfs/dbraw/zinc/76/72/99/898767299.db2.gz MTMSYEFVSARQPB-QHCPKHFHSA-N 1 3 391.559 3.667 20 0 GHADHO Cc1cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc(N2CCCC2)n1 ZINC000289690785 914297384 /nfs/dbraw/zinc/29/73/84/914297384.db2.gz IDFXGMHJWINTHN-IBGZPJMESA-N 1 3 382.552 3.781 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](c4ccccc4)CC3)CC2)CC1 ZINC000569940108 899033234 /nfs/dbraw/zinc/03/32/34/899033234.db2.gz WQBAXTTZVNMHIX-QFIPXVFZSA-N 1 3 397.607 3.979 20 0 GHADHO C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824529470 899661197 /nfs/dbraw/zinc/66/11/97/899661197.db2.gz GMOBNDBPGYGZKF-IAGOWNOFSA-N 1 3 390.535 3.915 20 0 GHADHO C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824529470 899661201 /nfs/dbraw/zinc/66/12/01/899661201.db2.gz GMOBNDBPGYGZKF-IAGOWNOFSA-N 1 3 390.535 3.915 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584959 899725661 /nfs/dbraw/zinc/72/56/61/899725661.db2.gz KLBRGOBITCQEBJ-CMKODMSKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584959 899725670 /nfs/dbraw/zinc/72/56/70/899725670.db2.gz KLBRGOBITCQEBJ-CMKODMSKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584959 899725678 /nfs/dbraw/zinc/72/56/78/899725678.db2.gz KLBRGOBITCQEBJ-CMKODMSKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584959 899725684 /nfs/dbraw/zinc/72/56/84/899725684.db2.gz KLBRGOBITCQEBJ-CMKODMSKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000572426052 900181412 /nfs/dbraw/zinc/18/14/12/900181412.db2.gz QKHWWVDTYZEDOM-XLIONFOSSA-N 1 3 394.991 3.754 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000572426052 900181421 /nfs/dbraw/zinc/18/14/21/900181421.db2.gz QKHWWVDTYZEDOM-XLIONFOSSA-N 1 3 394.991 3.754 20 0 GHADHO C[NH+]1CCC(C2CCN(Cc3ccnc(NC(=O)OC(C)(C)C)c3)CC2)CC1 ZINC001143691678 900352797 /nfs/dbraw/zinc/35/27/97/900352797.db2.gz LTAKBZUCCFLZDD-UHFFFAOYSA-N 1 3 388.556 3.982 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000574904781 901047029 /nfs/dbraw/zinc/04/70/29/901047029.db2.gz IPQKQJXCHIPRPK-OSZJIOELSA-N 1 3 388.552 3.647 20 0 GHADHO O=C(NCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1cccs1 ZINC000886547363 901146236 /nfs/dbraw/zinc/14/62/36/901146236.db2.gz KIEHDJAKBJLMCV-ZCNNSNEGSA-N 1 3 383.561 3.511 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177037 901197024 /nfs/dbraw/zinc/19/70/24/901197024.db2.gz ILDHUQZBBAMXGK-YUXAGFNASA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177037 901197031 /nfs/dbraw/zinc/19/70/31/901197031.db2.gz ILDHUQZBBAMXGK-YUXAGFNASA-N 1 3 375.520 3.690 20 0 GHADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000575783362 901296780 /nfs/dbraw/zinc/29/67/80/901296780.db2.gz CHLRORIDDASGLD-XZOQPEGZSA-N 1 3 393.531 3.657 20 0 GHADHO CCC[C@H]1CCCC[C@H]1CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000576001914 901576676 /nfs/dbraw/zinc/57/66/76/901576676.db2.gz MGLMSHOUHCAWQW-FPOVZHCZSA-N 1 3 377.617 3.905 20 0 GHADHO CC(C)c1ccccc1OC[C@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576512398 902069044 /nfs/dbraw/zinc/06/90/44/902069044.db2.gz TZRFWTUSEXBFOE-FGZHOGPDSA-N 1 3 382.548 3.661 20 0 GHADHO CC(C)c1ccccc1OC[C@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576512398 902069052 /nfs/dbraw/zinc/06/90/52/902069052.db2.gz TZRFWTUSEXBFOE-FGZHOGPDSA-N 1 3 382.548 3.661 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3cncc4ccccc43)CC2)cc1 ZINC000772921376 902126886 /nfs/dbraw/zinc/12/68/86/902126886.db2.gz FQWWDAOHYUPMAC-UHFFFAOYSA-N 1 3 388.559 3.922 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000576836164 902292271 /nfs/dbraw/zinc/29/22/71/902292271.db2.gz SASRICMLRJIGBN-CEWLAPEOSA-N 1 3 375.601 3.658 20 0 GHADHO CC(C)[NH+]1CCC(NC[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000576979217 902404930 /nfs/dbraw/zinc/40/49/30/902404930.db2.gz DMCSNUQEOULRJQ-QHCPKHFHSA-N 1 3 382.548 3.616 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 ZINC000779020024 902985610 /nfs/dbraw/zinc/98/56/10/902985610.db2.gz RHQCLYPAUSKEOD-HMXCVIKNSA-N 1 3 387.568 3.711 20 0 GHADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 ZINC000779020024 902985619 /nfs/dbraw/zinc/98/56/19/902985619.db2.gz RHQCLYPAUSKEOD-HMXCVIKNSA-N 1 3 387.568 3.711 20 0 GHADHO CC[N@H+]1CC[C@H](CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 ZINC000779020024 902985625 /nfs/dbraw/zinc/98/56/25/902985625.db2.gz RHQCLYPAUSKEOD-HMXCVIKNSA-N 1 3 387.568 3.711 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3csc4ccccc34)CC2)CC1 ZINC000130546455 902986841 /nfs/dbraw/zinc/98/68/41/902986841.db2.gz CDHHQZATOBKSGD-UHFFFAOYSA-N 1 3 399.604 3.899 20 0 GHADHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000577787179 903190263 /nfs/dbraw/zinc/19/02/63/903190263.db2.gz CEEURSMWAGCKRJ-CVDCTZTESA-N 1 3 378.564 3.990 20 0 GHADHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000577787179 903190270 /nfs/dbraw/zinc/19/02/70/903190270.db2.gz CEEURSMWAGCKRJ-CVDCTZTESA-N 1 3 378.564 3.990 20 0 GHADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000577839482 903256807 /nfs/dbraw/zinc/25/68/07/903256807.db2.gz NBIYCYQHJMRIFL-KBXCAEBGSA-N 1 3 394.947 3.547 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1Br ZINC000132745847 903303188 /nfs/dbraw/zinc/30/31/88/903303188.db2.gz REGZLMMPGBUOBT-LSDHHAIUSA-N 1 3 397.357 3.609 20 0 GHADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000151355696 904112348 /nfs/dbraw/zinc/11/23/48/904112348.db2.gz YJJSPZIBLGHGRA-CQSZACIVSA-N 1 3 376.488 3.838 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)N(C)C)cc1 ZINC000646775419 914836333 /nfs/dbraw/zinc/83/63/33/914836333.db2.gz BKNZXQZNBVDLNY-GOTSBHOMSA-N 1 3 379.548 3.594 20 0 GHADHO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@H]12 ZINC001171638351 904927371 /nfs/dbraw/zinc/92/73/71/904927371.db2.gz UEZXLUPEUACHJI-WIOPSUGQSA-N 1 3 397.607 3.902 20 0 GHADHO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@H]12 ZINC001171638351 904927382 /nfs/dbraw/zinc/92/73/82/904927382.db2.gz UEZXLUPEUACHJI-WIOPSUGQSA-N 1 3 397.607 3.902 20 0 GHADHO CC1(C)C[C@H](NC[C@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171966595 905174794 /nfs/dbraw/zinc/17/47/94/905174794.db2.gz LSRSTMUSIMGKFJ-PKTZIBPZSA-N 1 3 382.548 3.597 20 0 GHADHO CC1(C)C[C@H](NC[C@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171966595 905174804 /nfs/dbraw/zinc/17/48/04/905174804.db2.gz LSRSTMUSIMGKFJ-PKTZIBPZSA-N 1 3 382.548 3.597 20 0 GHADHO CC1(C)C[C@@H](NC[C@@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171976839 905222782 /nfs/dbraw/zinc/22/27/82/905222782.db2.gz UPCSETSCYKPZDG-LADGPHEKSA-N 1 3 393.575 3.925 20 0 GHADHO CC1(C)C[C@@H](NC[C@@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001171976839 905222789 /nfs/dbraw/zinc/22/27/89/905222789.db2.gz UPCSETSCYKPZDG-LADGPHEKSA-N 1 3 393.575 3.925 20 0 GHADHO NCc1ccc2c(n1)N([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CCC2 ZINC001172073414 905278162 /nfs/dbraw/zinc/27/81/62/905278162.db2.gz QKMMWPWTQSOBRE-JKHIJQBDSA-N 1 3 376.548 3.879 20 0 GHADHO NCc1ccc2c(n1)N([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCC2 ZINC001172073414 905278172 /nfs/dbraw/zinc/27/81/72/905278172.db2.gz QKMMWPWTQSOBRE-JKHIJQBDSA-N 1 3 376.548 3.879 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@@H]3COc3cccnc3)CC1)C2 ZINC001172118732 905374369 /nfs/dbraw/zinc/37/43/69/905374369.db2.gz YDTQMCJBPVBHKY-YUMYIRISSA-N 1 3 399.579 3.594 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172224760 905424770 /nfs/dbraw/zinc/42/47/70/905424770.db2.gz NMJGADJEDSEXFS-MSRNWOCLSA-N 1 3 376.566 3.513 20 0 GHADHO CC(C)COCC[C@@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172469082 905550974 /nfs/dbraw/zinc/55/09/74/905550974.db2.gz ZNSUPTWOEKDEBB-FGCOXFRFSA-N 1 3 392.628 3.898 20 0 GHADHO CC(C)COCC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172469082 905550987 /nfs/dbraw/zinc/55/09/87/905550987.db2.gz ZNSUPTWOEKDEBB-FGCOXFRFSA-N 1 3 392.628 3.898 20 0 GHADHO CC(C)OCC[C@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172445884 905563062 /nfs/dbraw/zinc/56/30/62/905563062.db2.gz GQCMBKIDVSBCCT-AJSBUHFISA-N 1 3 378.601 3.651 20 0 GHADHO CC(C)OCC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172445884 905563072 /nfs/dbraw/zinc/56/30/72/905563072.db2.gz GQCMBKIDVSBCCT-AJSBUHFISA-N 1 3 378.601 3.651 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172976152 906041311 /nfs/dbraw/zinc/04/13/11/906041311.db2.gz YLKBVQMKYZHDKL-GIVPXCGWSA-N 1 3 387.568 3.696 20 0 GHADHO Cn1cc(CN2CCCC23CC[NH+](C2CCC4(CCOCC4)CC2)CC3)cn1 ZINC001173046121 906115811 /nfs/dbraw/zinc/11/58/11/906115811.db2.gz RVFZYRUDZKCAEY-UHFFFAOYSA-N 1 3 386.584 3.590 20 0 GHADHO CCCC[C@@H](CC(C)C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001173245463 906334173 /nfs/dbraw/zinc/33/41/73/906334173.db2.gz GIZNDJMMEDWLGR-VXKWHMMOSA-N 1 3 387.612 3.996 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(OC(F)F)c1 ZINC000182272379 907173026 /nfs/dbraw/zinc/17/30/26/907173026.db2.gz HVKIZZBKBCAJMB-BEFAXECRSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OC(F)F)c1 ZINC000182272379 907173035 /nfs/dbraw/zinc/17/30/35/907173035.db2.gz HVKIZZBKBCAJMB-BEFAXECRSA-N 1 3 376.447 3.705 20 0 GHADHO CCCN(C)C[C@H]1CC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479061 907293782 /nfs/dbraw/zinc/29/37/82/907293782.db2.gz UNGULMDCFJREAB-JOCHJYFZSA-N 1 3 387.568 3.699 20 0 GHADHO CCCN(C)C[C@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479061 907293788 /nfs/dbraw/zinc/29/37/88/907293788.db2.gz UNGULMDCFJREAB-JOCHJYFZSA-N 1 3 387.568 3.699 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479061 907293800 /nfs/dbraw/zinc/29/38/00/907293800.db2.gz UNGULMDCFJREAB-JOCHJYFZSA-N 1 3 387.568 3.699 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479061 907293815 /nfs/dbraw/zinc/29/38/15/907293815.db2.gz UNGULMDCFJREAB-JOCHJYFZSA-N 1 3 387.568 3.699 20 0 GHADHO C[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000631769515 907837626 /nfs/dbraw/zinc/83/76/26/907837626.db2.gz SKEFZDJBCBZQLQ-OPYAIIAOSA-N 1 3 392.609 3.826 20 0 GHADHO C[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000631769982 907839495 /nfs/dbraw/zinc/83/94/95/907839495.db2.gz XZZHZXFOLDCURH-SVMVAKDDSA-N 1 3 392.609 3.826 20 0 GHADHO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001176366153 908080536 /nfs/dbraw/zinc/08/05/36/908080536.db2.gz XXMNUYLQMJJWAM-WTIAFYNJSA-N 1 3 379.548 3.674 20 0 GHADHO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001176366153 908080547 /nfs/dbraw/zinc/08/05/47/908080547.db2.gz XXMNUYLQMJJWAM-WTIAFYNJSA-N 1 3 379.548 3.674 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC001177266128 908506993 /nfs/dbraw/zinc/50/69/93/908506993.db2.gz AYPMUTTZPWQHOJ-UIFIKXQLSA-N 1 3 376.516 3.784 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC001177266128 908507007 /nfs/dbraw/zinc/50/70/07/908507007.db2.gz AYPMUTTZPWQHOJ-UIFIKXQLSA-N 1 3 376.516 3.784 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000192786577 908824828 /nfs/dbraw/zinc/82/48/28/908824828.db2.gz SIQPVBOTQWWKGX-OAQYLSRUSA-N 1 3 396.579 3.727 20 0 GHADHO CCN1CCC([NH2+][C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000266493951 909193457 /nfs/dbraw/zinc/19/34/57/909193457.db2.gz AKKWIZZTENPZEN-QGZVFWFLSA-N 1 3 398.576 3.775 20 0 GHADHO COc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)cc(Cl)c1OC ZINC000069711255 909710588 /nfs/dbraw/zinc/71/05/88/909710588.db2.gz AUQZMXCCPZYHPG-UHFFFAOYSA-N 1 3 378.900 3.587 20 0 GHADHO CN(C)Cc1ccc(C(N)=O)cc1N[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638257929 910099255 /nfs/dbraw/zinc/09/92/55/910099255.db2.gz DCDCNQDNPXZKHK-NFBKMPQASA-N 1 3 392.547 3.627 20 0 GHADHO CN(C)Cc1ccc(C(N)=O)cc1N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638257929 910099271 /nfs/dbraw/zinc/09/92/71/910099271.db2.gz DCDCNQDNPXZKHK-NFBKMPQASA-N 1 3 392.547 3.627 20 0 GHADHO c1ncn(Cc2ccc(CN[C@@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)cc2)n1 ZINC000638338476 910126172 /nfs/dbraw/zinc/12/61/72/910126172.db2.gz BMHHLEIRPGUYKX-VWNXMTODSA-N 1 3 387.531 3.784 20 0 GHADHO c1ncn(Cc2ccc(CN[C@@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)cc2)n1 ZINC000638338476 910126180 /nfs/dbraw/zinc/12/61/80/910126180.db2.gz BMHHLEIRPGUYKX-VWNXMTODSA-N 1 3 387.531 3.784 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3ccccc3CC(F)(F)F)CC2)CC1 ZINC000639044322 910299298 /nfs/dbraw/zinc/29/92/98/910299298.db2.gz KRNGQNQEHXDGFD-UHFFFAOYSA-N 1 3 383.502 3.641 20 0 GHADHO COCCc1ncc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000639204545 910349975 /nfs/dbraw/zinc/34/99/75/910349975.db2.gz CGIAKWKKIMIMAO-UHFFFAOYSA-N 1 3 385.577 3.820 20 0 GHADHO c1ccc(C(CN2CCC3(C2)CCOCC3)C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000639502707 910471049 /nfs/dbraw/zinc/47/10/49/910471049.db2.gz GXIXQUGVAWEQGX-UHFFFAOYSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc(C(CN2CCC3(C2)CCOCC3)C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000639502707 910471063 /nfs/dbraw/zinc/47/10/63/910471063.db2.gz GXIXQUGVAWEQGX-UHFFFAOYSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc(C(CN2CCC[C@]3(CCOC3)C2)C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000639666617 910599214 /nfs/dbraw/zinc/59/92/14/910599214.db2.gz MYDFSJMGSYAOTA-DQEYMECFSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc(C(CN2CCC[C@]3(CCOC3)C2)C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000639666617 910599218 /nfs/dbraw/zinc/59/92/18/910599218.db2.gz MYDFSJMGSYAOTA-DQEYMECFSA-N 1 3 398.591 3.775 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CNCc3c[nH]nc3-c3ccccc3F)cc2)CC1 ZINC000284182960 911782906 /nfs/dbraw/zinc/78/29/06/911782906.db2.gz XUMSETTYLMWFLS-UHFFFAOYSA-N 1 3 394.494 3.979 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182855167 912080608 /nfs/dbraw/zinc/08/06/08/912080608.db2.gz NCNKHAWOSAHOJM-JTHBVZDNSA-N 1 3 381.568 3.538 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CC[C@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182855167 912080633 /nfs/dbraw/zinc/08/06/33/912080633.db2.gz NCNKHAWOSAHOJM-JTHBVZDNSA-N 1 3 381.568 3.538 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(NC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000291103325 914977630 /nfs/dbraw/zinc/97/76/30/914977630.db2.gz JOJVEJWKARACRE-AVRDEDQJSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000291103325 914977643 /nfs/dbraw/zinc/97/76/43/914977643.db2.gz JOJVEJWKARACRE-AVRDEDQJSA-N 1 3 380.536 3.923 20 0 GHADHO FC(F)(F)CCN1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000291107461 914981939 /nfs/dbraw/zinc/98/19/39/914981939.db2.gz KCPXOPRBKHTJJP-LJQANCHMSA-N 1 3 383.502 3.557 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000647093597 915025479 /nfs/dbraw/zinc/02/54/79/915025479.db2.gz UIRAZGWFEHZFEQ-XLIONFOSSA-N 1 3 395.478 3.591 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647344374 915166825 /nfs/dbraw/zinc/16/68/25/915166825.db2.gz PFNCKRLDXYGPHT-WQDFSMHNSA-N 1 3 377.576 3.832 20 0 GHADHO C/C(=C\c1ccccc1OC(F)F)CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000291688045 915318740 /nfs/dbraw/zinc/31/87/40/915318740.db2.gz XWYVEFKSZKFUMG-OBGWFSINSA-N 1 3 393.522 3.651 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(C[C@@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384480 915364569 /nfs/dbraw/zinc/36/45/69/915364569.db2.gz OMMDPDMZBHIOKW-BJKOFHAPSA-N 1 3 375.560 3.609 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C[C@@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384480 915364587 /nfs/dbraw/zinc/36/45/87/915364587.db2.gz OMMDPDMZBHIOKW-BJKOFHAPSA-N 1 3 375.560 3.609 20 0 GHADHO [NH3+]Cc1ccc(CN[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)cc1 ZINC000647803336 915391243 /nfs/dbraw/zinc/39/12/43/915391243.db2.gz VHAVUDAHZHYJAK-RTBURBONSA-N 1 3 375.310 3.918 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292351177 915631488 /nfs/dbraw/zinc/63/14/88/915631488.db2.gz YFPCEMGQHICYKL-FPOVZHCZSA-N 1 3 379.548 3.604 20 0 GHADHO Fc1ccc([C@H](C[C@@H]2CCOC2)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000292362930 915636506 /nfs/dbraw/zinc/63/65/06/915636506.db2.gz YVNABOYLJWHDPE-RXVVDRJESA-N 1 3 376.516 3.528 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)ccc1OC ZINC000775370811 917211648 /nfs/dbraw/zinc/21/16/48/917211648.db2.gz JABOBGUCEUDAKR-IIBYNOLFSA-N 1 3 382.552 3.844 20 0 GHADHO COC(=O)Cc1ccccc1C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000796444324 917338954 /nfs/dbraw/zinc/33/89/54/917338954.db2.gz MJJYMVIFPIXDRU-XMMPIXPASA-N 1 3 378.516 3.500 20 0 GHADHO COC(=O)Cc1ccccc1C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000796444324 917338967 /nfs/dbraw/zinc/33/89/67/917338967.db2.gz MJJYMVIFPIXDRU-XMMPIXPASA-N 1 3 378.516 3.500 20 0 GHADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297419721 919318701 /nfs/dbraw/zinc/31/87/01/919318701.db2.gz YXPLFNWWDDGOHE-XZOQPEGZSA-N 1 3 398.595 3.523 20 0 GHADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnc(NC(=O)OC(C)(C)C)s3)C2)CC1 ZINC000367680917 922265840 /nfs/dbraw/zinc/26/58/40/922265840.db2.gz AQBYFBGWGGMVRT-OAHLLOKOSA-N 1 3 380.558 3.654 20 0 GHADHO C[C@@H](N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804584 924504096 /nfs/dbraw/zinc/50/40/96/924504096.db2.gz HDLCLMPXMJSFFP-WIYYLYMNSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@@H](N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804584 924504103 /nfs/dbraw/zinc/50/41/03/924504103.db2.gz HDLCLMPXMJSFFP-WIYYLYMNSA-N 1 3 375.520 3.971 20 0 GHADHO CSc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000677899548 924542538 /nfs/dbraw/zinc/54/25/38/924542538.db2.gz KLCVEQHGVKHLDG-UHFFFAOYSA-N 1 3 389.609 3.613 20 0 GHADHO C[C@H]1C[C@H](N(C)Cc2ccccc2-n2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000678259978 924693031 /nfs/dbraw/zinc/69/30/31/924693031.db2.gz OKYPHCZFRWZWLG-SIKLNZKXSA-N 1 3 375.520 3.752 20 0 GHADHO C[C@H]1C[C@H](N(C)Cc2ccccc2-n2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000678259978 924693035 /nfs/dbraw/zinc/69/30/35/924693035.db2.gz OKYPHCZFRWZWLG-SIKLNZKXSA-N 1 3 375.520 3.752 20 0 GHADHO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000678261114 924694533 /nfs/dbraw/zinc/69/45/33/924694533.db2.gz VKRDDESBOXUNQI-NRFANRHFSA-N 1 3 377.532 3.533 20 0 GHADHO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000678261114 924694538 /nfs/dbraw/zinc/69/45/38/924694538.db2.gz VKRDDESBOXUNQI-NRFANRHFSA-N 1 3 377.532 3.533 20 0 GHADHO Cc1cc(Br)cc(C)c1NC(=O)CCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000679818966 925274085 /nfs/dbraw/zinc/27/40/85/925274085.db2.gz CGRLBROEKDIVEB-INIZCTEOSA-N 1 3 396.373 3.668 20 0 GHADHO C[C@H](CCN1CC[C@H](Cc2ccncc2)C1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680890626 925646045 /nfs/dbraw/zinc/64/60/45/925646045.db2.gz JSKFQTMHDALBPC-HUVFLSCGSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CCN1CC[C@H](Cc2ccncc2)C1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680890626 925646051 /nfs/dbraw/zinc/64/60/51/925646051.db2.gz JSKFQTMHDALBPC-HUVFLSCGSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CC[N@@H+]1CC[C@H](Cc2ccncc2)C1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000680890626 925646059 /nfs/dbraw/zinc/64/60/59/925646059.db2.gz JSKFQTMHDALBPC-HUVFLSCGSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CC[N@H+]1CC[C@H](Cc2ccncc2)C1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000680890626 925646065 /nfs/dbraw/zinc/64/60/65/925646065.db2.gz JSKFQTMHDALBPC-HUVFLSCGSA-N 1 3 378.564 3.684 20 0 GHADHO COC(=O)c1ccc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c(OC)c1 ZINC001137453750 925843497 /nfs/dbraw/zinc/84/34/97/925843497.db2.gz DJGVYAFBWHRRRX-UHFFFAOYSA-N 1 3 394.515 3.580 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000411327801 926313632 /nfs/dbraw/zinc/31/36/32/926313632.db2.gz RYPVXVVCVXDSPW-HSZRJFAPSA-N 1 3 379.548 3.549 20 0 GHADHO CN1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H]1c1ccccc1 ZINC000412223101 927225035 /nfs/dbraw/zinc/22/50/35/927225035.db2.gz TUOWWZYUFYYLOI-GOTSBHOMSA-N 1 3 377.532 3.848 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751082427 928020342 /nfs/dbraw/zinc/02/03/42/928020342.db2.gz QRUXIWYPEGMHTQ-JYUKWDKTSA-N 1 3 398.595 3.918 20 0 GHADHO Cc1c([O-])ccc2c(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc(=O)oc12 ZINC000752068667 928582227 /nfs/dbraw/zinc/58/22/27/928582227.db2.gz NNCNXFAFRVHMBL-UHFFFAOYSA-N 1 3 384.520 3.895 20 0 GHADHO Fc1cncc([C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C2CC2)c1 ZINC000467354675 928989269 /nfs/dbraw/zinc/98/92/69/928989269.db2.gz DMDLSJJCXSTABX-DEOSSOPVSA-N 1 3 396.554 3.859 20 0 GHADHO O=C(NC[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000469874163 930227050 /nfs/dbraw/zinc/22/70/50/930227050.db2.gz VGNRVHAIRLYYQG-JPYJTQIMSA-N 1 3 395.522 3.573 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000780880003 930625286 /nfs/dbraw/zinc/62/52/86/930625286.db2.gz WWLCNURRSWKZFB-KNQAVFIVSA-N 1 3 377.532 3.814 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000924948530 931593132 /nfs/dbraw/zinc/59/31/32/931593132.db2.gz DPNPGNWUGMLUIT-URXFXBBRSA-N 1 3 380.580 3.651 20 0 GHADHO C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccnn1C1CCC1 ZINC000924963856 931596227 /nfs/dbraw/zinc/59/62/27/931596227.db2.gz MSHVPSDFABHMGD-DLBZAZTESA-N 1 3 385.531 3.911 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000783720448 931629726 /nfs/dbraw/zinc/62/97/26/931629726.db2.gz UMZITNQGQKPAFP-UHFFFAOYSA-N 1 3 391.556 3.506 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)ccc1OC ZINC000784050698 931766963 /nfs/dbraw/zinc/76/69/63/931766963.db2.gz HBVCBZMMKUHPND-GOSISDBHSA-N 1 3 399.583 3.888 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925783214 931902326 /nfs/dbraw/zinc/90/23/26/931902326.db2.gz DJKLLZQBQOXBQA-WOPDTQHZSA-N 1 3 377.838 3.521 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000558919712 932316142 /nfs/dbraw/zinc/31/61/42/932316142.db2.gz FWTHHBIOSQAUPX-FQEVSTJZSA-N 1 3 394.401 3.834 20 0 GHADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000559326909 932601469 /nfs/dbraw/zinc/60/14/69/932601469.db2.gz ROGDQRVFAXWDEA-RJGXRXQPSA-N 1 3 386.580 3.710 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000561141070 933910667 /nfs/dbraw/zinc/91/06/67/933910667.db2.gz YOTRNQLIYYCIGR-HSZRJFAPSA-N 1 3 385.596 3.739 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000561711340 934386185 /nfs/dbraw/zinc/38/61/85/934386185.db2.gz XQLVHJJNBYXTCQ-HXUWFJFHSA-N 1 3 394.563 3.602 20 0 GHADHO Cc1nc2ccccc2n1CCCCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285673 934481637 /nfs/dbraw/zinc/48/16/37/934481637.db2.gz OCPONIKNCIUQRB-UHFFFAOYSA-N 1 3 384.568 3.702 20 0 GHADHO Cc1nc2ccccc2n1CCCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285673 934481643 /nfs/dbraw/zinc/48/16/43/934481643.db2.gz OCPONIKNCIUQRB-UHFFFAOYSA-N 1 3 384.568 3.702 20 0 GHADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccccc1Oc1ccc(Cl)cc1 ZINC001220734273 1032093306 /nfs/dbraw/zinc/09/33/06/1032093306.db2.gz KVKCBCKQPSFGCV-IBGZPJMESA-N 1 3 389.927 3.808 20 0 GHADHO CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220768868 1032108402 /nfs/dbraw/zinc/10/84/02/1032108402.db2.gz DAVANLGAPCJUDT-FPOVZHCZSA-N 1 3 386.584 3.881 20 0 GHADHO CC(C)C[C@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468020495 1015153415 /nfs/dbraw/zinc/15/34/15/1015153415.db2.gz FVEKADAEHVHKMR-DWLFOUALSA-N 1 3 386.584 3.630 20 0 GHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc2c(c1)CCC(=O)N2C ZINC000187301577 1017025970 /nfs/dbraw/zinc/02/59/70/1017025970.db2.gz VVSCRZSUMALFIN-RTBURBONSA-N 1 3 391.559 3.842 20 0 GHADHO CCc1ccc(CN(CC[NH3+])C(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)cc1 ZINC001220905102 1032180028 /nfs/dbraw/zinc/18/00/28/1032180028.db2.gz QCHCCSONVBBQPT-LJQANCHMSA-N 1 3 394.346 3.933 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc([C@H]2CCCN2)n1 ZINC001221012823 1032236040 /nfs/dbraw/zinc/23/60/40/1032236040.db2.gz CEKVIUWQOZPREK-MJGOQNOKSA-N 1 3 398.576 3.598 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc([C@H]2CCCN2)n1 ZINC001221012823 1032236050 /nfs/dbraw/zinc/23/60/50/1032236050.db2.gz CEKVIUWQOZPREK-MJGOQNOKSA-N 1 3 398.576 3.598 20 0 GHADHO C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@]1(C)CCCN(C)C1 ZINC001221241080 1032345217 /nfs/dbraw/zinc/34/52/17/1032345217.db2.gz NHUWEZSHGIRTEG-BFMBIBTESA-N 1 3 393.575 3.850 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC001227447811 1032423914 /nfs/dbraw/zinc/42/39/14/1032423914.db2.gz VJZFFNZAUQOLBP-CTNGQTDRSA-N 1 3 388.600 3.516 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001221463377 1032425171 /nfs/dbraw/zinc/42/51/71/1032425171.db2.gz ATPPTGVIQZMCNZ-VAMGGRTRSA-N 1 3 388.600 3.563 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC001221761931 1032525934 /nfs/dbraw/zinc/52/59/34/1032525934.db2.gz YVBGZBICGXWLMV-JOCHJYFZSA-N 1 3 388.600 3.519 20 0 GHADHO CC(C)[C@H](CNC(=O)c1ccccc1CN(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000558909390 1017314184 /nfs/dbraw/zinc/31/41/84/1017314184.db2.gz WZDPKELWDKRJSB-QHCPKHFHSA-N 1 3 379.548 3.561 20 0 GHADHO CC(C)[C@H](CNC(=O)c1ccccc1CN(C)C)[N@H+]1CCc2ccccc2C1 ZINC000558909390 1017314193 /nfs/dbraw/zinc/31/41/93/1017314193.db2.gz WZDPKELWDKRJSB-QHCPKHFHSA-N 1 3 379.548 3.561 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Cl)c(N(C)C)c3)CC2)CC1 ZINC000928715761 1017557281 /nfs/dbraw/zinc/55/72/81/1017557281.db2.gz OTALSDBYMPEFQK-UHFFFAOYSA-N 1 3 392.975 3.541 20 0 GHADHO Cc1ccnc(O[C@@H]2CCCN(Cc3ccc(OCCC[NH+](C)C)cc3)C2)c1 ZINC001204271558 1032714464 /nfs/dbraw/zinc/71/44/64/1032714464.db2.gz NOFUSGRTGMIHQS-JOCHJYFZSA-N 1 3 383.536 3.764 20 0 GHADHO CCC(CC)(CNC(=O)OC(C)(C)C)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC001204288372 1032728492 /nfs/dbraw/zinc/72/84/92/1032728492.db2.gz SWMYUTGUINGMHM-IPMKNSEASA-N 1 3 397.604 3.501 20 0 GHADHO FC(F)(F)Cc1noc(-c2cccc(C[NH2+]C3CCN(CC4CC4)CC3)c2)n1 ZINC000567285271 1019279644 /nfs/dbraw/zinc/27/96/44/1019279644.db2.gz RHZWBAISOMHZJZ-UHFFFAOYSA-N 1 3 394.441 3.805 20 0 GHADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1Cc1ccc(-n2cncn2)c(F)c1 ZINC000568627453 1019430756 /nfs/dbraw/zinc/43/07/56/1019430756.db2.gz AHJGUJKMOBSUQZ-IRLDBZIGSA-N 1 3 393.510 3.579 20 0 GHADHO CCOC(=O)N[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(C)C ZINC000779440937 1020791633 /nfs/dbraw/zinc/79/16/33/1020791633.db2.gz RXRQHDUDKDAHKP-YSFYHYPLSA-N 1 3 387.568 3.932 20 0 GHADHO CCOC(=O)N[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000779440937 1020791639 /nfs/dbraw/zinc/79/16/39/1020791639.db2.gz RXRQHDUDKDAHKP-YSFYHYPLSA-N 1 3 387.568 3.932 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000834502507 1021229480 /nfs/dbraw/zinc/22/94/80/1021229480.db2.gz QKULITDUXOQOJF-UARRHKHWSA-N 1 3 380.532 3.761 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000834502507 1021229489 /nfs/dbraw/zinc/22/94/89/1021229489.db2.gz QKULITDUXOQOJF-UARRHKHWSA-N 1 3 380.532 3.761 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001228526291 1032971998 /nfs/dbraw/zinc/97/19/98/1032971998.db2.gz KKJQZKMMWQIQLW-UHFFFAOYSA-N 1 3 386.584 3.557 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001228526291 1032972002 /nfs/dbraw/zinc/97/20/02/1032972002.db2.gz KKJQZKMMWQIQLW-UHFFFAOYSA-N 1 3 386.584 3.557 20 0 GHADHO COc1cc(CNCc2cccc3c2CC[NH2+]C3)ccc1OCC(F)(F)F ZINC000903923273 1021655073 /nfs/dbraw/zinc/65/50/73/1021655073.db2.gz PPNXEIIROWAWFR-UHFFFAOYSA-N 1 3 380.410 3.572 20 0 GHADHO Cc1ccc(Cl)nc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001140444380 1021729575 /nfs/dbraw/zinc/72/95/75/1021729575.db2.gz HOVRKWRAWZXMEE-KRWDZBQOSA-N 1 3 389.927 3.892 20 0 GHADHO Cc1ccc(Cl)nc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001140444380 1021729589 /nfs/dbraw/zinc/72/95/89/1021729589.db2.gz HOVRKWRAWZXMEE-KRWDZBQOSA-N 1 3 389.927 3.892 20 0 GHADHO COC(=O)c1cccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204685790 1033029746 /nfs/dbraw/zinc/02/97/46/1033029746.db2.gz JWGFOBFMJGMDEB-GOTSBHOMSA-N 1 3 378.516 3.817 20 0 GHADHO COC(=O)c1cccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204685790 1033029765 /nfs/dbraw/zinc/02/97/65/1033029765.db2.gz JWGFOBFMJGMDEB-GOTSBHOMSA-N 1 3 378.516 3.817 20 0 GHADHO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2cc(N3CCCC3)ccn2)C1 ZINC001156465682 1033048578 /nfs/dbraw/zinc/04/85/78/1033048578.db2.gz BHNVOMACEHUIIV-GOSISDBHSA-N 1 3 376.621 3.553 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC001141037511 1023349442 /nfs/dbraw/zinc/34/94/42/1023349442.db2.gz QVDWWLNRPJTWLG-JOCHJYFZSA-N 1 3 382.504 3.927 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC001141037511 1023349451 /nfs/dbraw/zinc/34/94/51/1023349451.db2.gz QVDWWLNRPJTWLG-JOCHJYFZSA-N 1 3 382.504 3.927 20 0 GHADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC001141037511 1023349456 /nfs/dbraw/zinc/34/94/56/1023349456.db2.gz QVDWWLNRPJTWLG-JOCHJYFZSA-N 1 3 382.504 3.927 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(C[N@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001138136009 1024200256 /nfs/dbraw/zinc/20/02/56/1024200256.db2.gz NAHDIDPTLPQATK-OYRHEFFESA-N 1 3 395.547 3.680 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001138136009 1024200274 /nfs/dbraw/zinc/20/02/74/1024200274.db2.gz NAHDIDPTLPQATK-OYRHEFFESA-N 1 3 395.547 3.680 20 0 GHADHO Fc1ccccc1-n1cccc1CN1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001138630932 1025134396 /nfs/dbraw/zinc/13/43/96/1025134396.db2.gz PMNKFIJEDZQKEN-RTWAWAEBSA-N 1 3 390.506 3.965 20 0 GHADHO Fc1ccccc1-n1cccc1CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001138630932 1025134411 /nfs/dbraw/zinc/13/44/11/1025134411.db2.gz PMNKFIJEDZQKEN-RTWAWAEBSA-N 1 3 390.506 3.965 20 0 GHADHO CCn1nc(C)c(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001138643587 1025151976 /nfs/dbraw/zinc/15/19/76/1025151976.db2.gz RAKFRFUWNSMSMW-UHFFFAOYSA-N 1 3 381.568 3.791 20 0 GHADHO CCn1nc(C)c(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001138643587 1025151984 /nfs/dbraw/zinc/15/19/84/1025151984.db2.gz RAKFRFUWNSMSMW-UHFFFAOYSA-N 1 3 381.568 3.791 20 0 GHADHO COC(=O)c1cccc([C@@H]2CCCN2Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001138773863 1025346207 /nfs/dbraw/zinc/34/62/07/1025346207.db2.gz QJWPPUIPLZGHDX-QFIPXVFZSA-N 1 3 382.504 3.751 20 0 GHADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(OCCO)cc1)CC2 ZINC001138795753 1025371780 /nfs/dbraw/zinc/37/17/80/1025371780.db2.gz HTZXCECYABMXRM-QFIPXVFZSA-N 1 3 384.520 3.527 20 0 GHADHO C[C@@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@H]1CCCN(C2CCC2)C1 ZINC000839011024 1025516586 /nfs/dbraw/zinc/51/65/86/1025516586.db2.gz LKYZYOJPQKYVLJ-SJORKVTESA-N 1 3 377.573 3.629 20 0 GHADHO CCC1(O)CC[NH+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CC1 ZINC001139512916 1026368821 /nfs/dbraw/zinc/36/88/21/1026368821.db2.gz LBQJGUHOEAYTBU-UHFFFAOYSA-N 1 3 393.575 3.746 20 0 GHADHO NC(=O)C1CCN(C2CC[NH+](Cc3cccc4c5ccccc5oc43)CC2)CC1 ZINC001139858547 1026671380 /nfs/dbraw/zinc/67/13/80/1026671380.db2.gz LXALMZOACZROGD-UHFFFAOYSA-N 1 3 391.515 3.748 20 0 GHADHO CC1(C)CN(C[C@@H](O)c2ccc(F)cn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000834382279 1026961370 /nfs/dbraw/zinc/96/13/70/1026961370.db2.gz IZKDHMALGQHMSY-DHIUTWEWSA-N 1 3 397.538 3.877 20 0 GHADHO COc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829649 1027639597 /nfs/dbraw/zinc/63/95/97/1027639597.db2.gz GSONWLNLKBMODJ-NRFANRHFSA-N 1 3 382.504 3.574 20 0 GHADHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829649 1027639604 /nfs/dbraw/zinc/63/96/04/1027639604.db2.gz GSONWLNLKBMODJ-NRFANRHFSA-N 1 3 382.504 3.574 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccc3c1OCO3)CC2 ZINC001141951576 1027734739 /nfs/dbraw/zinc/73/47/39/1027734739.db2.gz KFDXEOMYTPRNIF-OAQYLSRUSA-N 1 3 394.515 3.671 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccc3c1OCO3)CC2 ZINC001141951576 1027734757 /nfs/dbraw/zinc/73/47/57/1027734757.db2.gz KFDXEOMYTPRNIF-OAQYLSRUSA-N 1 3 394.515 3.671 20 0 GHADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000841065472 1028082531 /nfs/dbraw/zinc/08/25/31/1028082531.db2.gz PSNVNTSCRLPBRZ-GUDVDZBRSA-N 1 3 376.447 3.796 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1[nH]cnc1C(C)(C)C)CC2 ZINC001142217576 1028394154 /nfs/dbraw/zinc/39/41/54/1028394154.db2.gz LKVPOXASSIFEAR-UHFFFAOYSA-N 1 3 381.568 3.979 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1[nH]cnc1C(C)(C)C)CC2 ZINC001142217576 1028394170 /nfs/dbraw/zinc/39/41/70/1028394170.db2.gz LKVPOXASSIFEAR-UHFFFAOYSA-N 1 3 381.568 3.979 20 0 GHADHO Cc1cc2oc(=O)cc(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)c2cc1C(C)C ZINC000842479246 1029315696 /nfs/dbraw/zinc/31/56/96/1029315696.db2.gz RCIKBEXJCXFWGW-URXFXBBRSA-N 1 3 398.547 3.943 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000842919926 1029686031 /nfs/dbraw/zinc/68/60/31/1029686031.db2.gz DPDHANBPIYFMJS-AAIMPIBUSA-N 1 3 377.532 3.809 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000842919926 1029686036 /nfs/dbraw/zinc/68/60/36/1029686036.db2.gz DPDHANBPIYFMJS-AAIMPIBUSA-N 1 3 377.532 3.809 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)sc2c1 ZINC000843125341 1029817014 /nfs/dbraw/zinc/81/70/14/1029817014.db2.gz SOLWUVRVBBNGJT-QWHCGFSZSA-N 1 3 380.355 3.880 20 0 GHADHO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843126993 1029817377 /nfs/dbraw/zinc/81/73/77/1029817377.db2.gz NSQAOUDLGURRMC-GASCZTMLSA-N 1 3 379.335 3.919 20 0 GHADHO COc1ncc(CN2CCCC3(CCCC[NH2+]C3)CCC2)cc1Br ZINC001222114452 1029969884 /nfs/dbraw/zinc/96/98/84/1029969884.db2.gz YAJLBBBYORSUAQ-UHFFFAOYSA-N 1 3 396.373 3.989 20 0 GHADHO c1cc2c(nccc2C[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)[nH]1 ZINC001222584512 1030211668 /nfs/dbraw/zinc/21/16/68/1030211668.db2.gz TUUONKCWEBJUKS-NRFANRHFSA-N 1 3 390.531 3.866 20 0 GHADHO c1cc2c(nccc2C[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)[nH]1 ZINC001222584512 1030211686 /nfs/dbraw/zinc/21/16/86/1030211686.db2.gz TUUONKCWEBJUKS-NRFANRHFSA-N 1 3 390.531 3.866 20 0 GHADHO c1cc2c(nccc2CN2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]1 ZINC001222584512 1030211697 /nfs/dbraw/zinc/21/16/97/1030211697.db2.gz TUUONKCWEBJUKS-NRFANRHFSA-N 1 3 390.531 3.866 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)N2Cc2ccc3c(c2)CCN3)cc1 ZINC001222591145 1030217708 /nfs/dbraw/zinc/21/77/08/1030217708.db2.gz RNBDOUGYCFPKPE-HSZRJFAPSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@@H+]2Cc2ccc3c(c2)CCN3)cc1 ZINC001222591145 1030217716 /nfs/dbraw/zinc/21/77/16/1030217716.db2.gz RNBDOUGYCFPKPE-HSZRJFAPSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@H+]2Cc2ccc3c(c2)CCN3)cc1 ZINC001222591145 1030217723 /nfs/dbraw/zinc/21/77/23/1030217723.db2.gz RNBDOUGYCFPKPE-HSZRJFAPSA-N 1 3 391.559 3.958 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001222618473 1030242495 /nfs/dbraw/zinc/24/24/95/1030242495.db2.gz SKJUYDOTFDGUPU-GOTSBHOMSA-N 1 3 398.595 3.605 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001222618473 1030242510 /nfs/dbraw/zinc/24/25/10/1030242510.db2.gz SKJUYDOTFDGUPU-GOTSBHOMSA-N 1 3 398.595 3.605 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)C)cc1 ZINC001223474236 1030588233 /nfs/dbraw/zinc/58/82/33/1030588233.db2.gz FOJXYANLAUSCQE-WOJBJXKFSA-N 1 3 376.589 3.517 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001223507486 1030609629 /nfs/dbraw/zinc/60/96/29/1030609629.db2.gz DRDJRKYHYNZJFW-HKUYNNGSSA-N 1 3 390.597 3.591 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001223507486 1030609640 /nfs/dbraw/zinc/60/96/40/1030609640.db2.gz DRDJRKYHYNZJFW-HKUYNNGSSA-N 1 3 390.597 3.591 20 0 GHADHO C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001218845225 1031110951 /nfs/dbraw/zinc/11/09/51/1031110951.db2.gz AEBAPJOCVHUEAN-QHCPKHFHSA-N 1 3 394.563 3.581 20 0 GHADHO N[C@H](CC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1ccc(Cl)cc1Cl ZINC001219818901 1031634369 /nfs/dbraw/zinc/63/43/69/1031634369.db2.gz SMGUABCAVHNBON-LMMKCTJWSA-N 1 3 378.303 3.603 20 0 GHADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219952067 1031714236 /nfs/dbraw/zinc/71/42/36/1031714236.db2.gz NCHDKTNYWRQIAH-QHCPKHFHSA-N 1 3 379.548 3.652 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)CC1 ZINC001220544781 1031984402 /nfs/dbraw/zinc/98/44/02/1031984402.db2.gz AGYYQFVODGDMPJ-UHFFFAOYSA-N 1 3 392.632 3.838 20 0 GHADHO COc1cc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC001206584394 1033914939 /nfs/dbraw/zinc/91/49/39/1033914939.db2.gz YVQJIYMUFNVCCE-HNNXBMFYSA-N 1 3 385.346 3.819 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1ccncc1F)CC2 ZINC001206784901 1033982612 /nfs/dbraw/zinc/98/26/12/1033982612.db2.gz YHEXMVXEIIKTJN-QGZVFWFLSA-N 1 3 375.513 3.538 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1ccncc1F)CC2 ZINC001206784901 1033982618 /nfs/dbraw/zinc/98/26/18/1033982618.db2.gz YHEXMVXEIIKTJN-QGZVFWFLSA-N 1 3 375.513 3.538 20 0 GHADHO C[NH+](C)C1(C)CCC(NCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC001207209323 1034177028 /nfs/dbraw/zinc/17/70/28/1034177028.db2.gz MPLULKQNVIXOFU-UHFFFAOYSA-N 1 3 382.339 3.927 20 0 GHADHO CN(C)CC(C)(C)C[NH+]1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001207282395 1034235222 /nfs/dbraw/zinc/23/52/22/1034235222.db2.gz PMJCWFBDPRYKRL-UHFFFAOYSA-N 1 3 392.551 3.559 20 0 GHADHO Clc1ccc(N2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001207292729 1034245634 /nfs/dbraw/zinc/24/56/34/1034245634.db2.gz XPRBHNVYHIPVIP-UHFFFAOYSA-N 1 3 384.955 3.769 20 0 GHADHO [NH3+]C1CCN(c2ccc(Nc3cccc(CN4CCCCC4)c3F)cn2)CC1 ZINC001159322973 1034543568 /nfs/dbraw/zinc/54/35/68/1034543568.db2.gz DDEPWPNMRKRUFP-UHFFFAOYSA-N 1 3 383.515 3.878 20 0 GHADHO COC(=O)c1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)ccc1O ZINC001231418328 1034569058 /nfs/dbraw/zinc/56/90/58/1034569058.db2.gz QTNURBLZEAIGGT-RTWAWAEBSA-N 1 3 394.515 3.523 20 0 GHADHO COC(=O)c1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)ccc1O ZINC001231418328 1034569067 /nfs/dbraw/zinc/56/90/67/1034569067.db2.gz QTNURBLZEAIGGT-RTWAWAEBSA-N 1 3 394.515 3.523 20 0 GHADHO CCOC(=O)C1CCN(Cc2cccc(Nc3ccc4c(c3)CC[NH2+]C4)c2)CC1 ZINC001159713068 1034719228 /nfs/dbraw/zinc/71/92/28/1034719228.db2.gz BMAKMXQJBSPAAF-UHFFFAOYSA-N 1 3 393.531 3.851 20 0 GHADHO CC(C)c1ccc(-c2cc(C(F)(F)N[C@@H](N)CCC[NH3+])c(Cl)nn2)cc1 ZINC001159789893 1034742708 /nfs/dbraw/zinc/74/27/08/1034742708.db2.gz YUFVFTPFQKAYEA-MRXNPFEDSA-N 1 3 383.874 3.583 20 0 GHADHO COC(=O)[C@H]1CCC[N@@H+](C2CCN(CC[C@@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208650 1034799986 /nfs/dbraw/zinc/79/99/86/1034799986.db2.gz DIAKIVQSRNZNBH-PMACEKPBSA-N 1 3 396.616 3.957 20 0 GHADHO COC(=O)[C@H]1CCC[N@H+](C2CCN(CC[C@@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208650 1034799995 /nfs/dbraw/zinc/79/99/95/1034799995.db2.gz DIAKIVQSRNZNBH-PMACEKPBSA-N 1 3 396.616 3.957 20 0 GHADHO Fc1cc(Nc2ccccc2CN2CC[NH2+]CC2)ccc1CN1CCCCC1 ZINC001160298634 1034932745 /nfs/dbraw/zinc/93/27/45/1034932745.db2.gz CKYPJAFWJRKTEL-UHFFFAOYSA-N 1 3 382.527 3.960 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001160572727 1035006182 /nfs/dbraw/zinc/00/61/82/1035006182.db2.gz TWJMDXWOVQQHGH-JQVVWYNYSA-N 1 3 389.584 3.609 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001160572727 1035006191 /nfs/dbraw/zinc/00/61/91/1035006191.db2.gz TWJMDXWOVQQHGH-JQVVWYNYSA-N 1 3 389.584 3.609 20 0 GHADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160683443 1035035684 /nfs/dbraw/zinc/03/56/84/1035035684.db2.gz MMQMCXDLTKQRRI-DHIUTWEWSA-N 1 3 391.559 3.535 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208930983 1035095095 /nfs/dbraw/zinc/09/50/95/1035095095.db2.gz GNBBZZWKGXLJBW-NRFANRHFSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCN(C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208930983 1035095102 /nfs/dbraw/zinc/09/51/02/1035095102.db2.gz GNBBZZWKGXLJBW-NRFANRHFSA-N 1 3 399.579 3.841 20 0 GHADHO O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208934610 1035098524 /nfs/dbraw/zinc/09/85/24/1035098524.db2.gz JZIVSIZIDZBOKZ-ILBGXUMGSA-N 1 3 395.591 3.623 20 0 GHADHO O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208934610 1035098530 /nfs/dbraw/zinc/09/85/30/1035098530.db2.gz JZIVSIZIDZBOKZ-ILBGXUMGSA-N 1 3 395.591 3.623 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC4(C3)CCN(Cc3cccnc3)C4)C2)cc1 ZINC001208938126 1035106834 /nfs/dbraw/zinc/10/68/34/1035106834.db2.gz UYRKMHPWKJPOAE-DEOSSOPVSA-N 1 3 390.575 3.502 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC4(C3)CCN(Cc3cccnc3)C4)C2)cc1 ZINC001208938126 1035106838 /nfs/dbraw/zinc/10/68/38/1035106838.db2.gz UYRKMHPWKJPOAE-DEOSSOPVSA-N 1 3 390.575 3.502 20 0 GHADHO Cc1cccc(N2CCCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940300 1035108108 /nfs/dbraw/zinc/10/81/08/1035108108.db2.gz QVDZETNOIYMSOT-HSZRJFAPSA-N 1 3 378.564 3.814 20 0 GHADHO Cc1cccc(N2CCCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940300 1035108113 /nfs/dbraw/zinc/10/81/13/1035108113.db2.gz QVDZETNOIYMSOT-HSZRJFAPSA-N 1 3 378.564 3.814 20 0 GHADHO O=C(C1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)N1CCCCCC1 ZINC001208950848 1035121605 /nfs/dbraw/zinc/12/16/05/1035121605.db2.gz WUOAECYXVYADPB-QFIPXVFZSA-N 1 3 383.580 3.623 20 0 GHADHO O=C(C1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCCCC1 ZINC001208950848 1035121611 /nfs/dbraw/zinc/12/16/11/1035121611.db2.gz WUOAECYXVYADPB-QFIPXVFZSA-N 1 3 383.580 3.623 20 0 GHADHO CC(C)(C)CN(C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC001161261244 1035196215 /nfs/dbraw/zinc/19/62/15/1035196215.db2.gz CPHGDQGKTRLNJX-QGZVFWFLSA-N 1 3 385.474 3.722 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209366435 1035256119 /nfs/dbraw/zinc/25/61/19/1035256119.db2.gz XNROCKDEIVDSJD-HSZRJFAPSA-N 1 3 387.568 3.889 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209366435 1035256120 /nfs/dbraw/zinc/25/61/20/1035256120.db2.gz XNROCKDEIVDSJD-HSZRJFAPSA-N 1 3 387.568 3.889 20 0 GHADHO C[NH+](C)CCCOc1ccc(-c2cccc3cc([C@@H]4CNCCO4)cn32)cc1 ZINC001245340685 1036887065 /nfs/dbraw/zinc/88/70/65/1036887065.db2.gz ZLDKGCMYBWLEFS-QHCPKHFHSA-N 1 3 379.504 3.598 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H](CC1CCC1)c1ccc(F)cc1 ZINC001246007380 1037128072 /nfs/dbraw/zinc/12/80/72/1037128072.db2.gz KRTZZIAISFPEGJ-BHDDXSALSA-N 1 3 392.465 3.856 20 0 GHADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246007611 1037128193 /nfs/dbraw/zinc/12/81/93/1037128193.db2.gz XYUYUMLJQIASAE-YSIASYRMSA-N 1 3 381.347 3.835 20 0 GHADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccc(CCc2ccccc2)cc1 ZINC001246015591 1037135586 /nfs/dbraw/zinc/13/55/86/1037135586.db2.gz PTTONHOAHUZOFV-IZZNHLLZSA-N 1 3 388.555 3.535 20 0 GHADHO CSc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246053682 1037165903 /nfs/dbraw/zinc/16/59/03/1037165903.db2.gz UQHNREFLSKCRMV-SLFFLAALSA-N 1 3 392.515 3.755 20 0 GHADHO CSc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246053682 1037165931 /nfs/dbraw/zinc/16/59/31/1037165931.db2.gz UQHNREFLSKCRMV-SLFFLAALSA-N 1 3 392.515 3.755 20 0 GHADHO CCOC(=O)CC1(N[C@@H](C)CC(C)(C)SCc2ccco2)CC[NH2+]CC1 ZINC001246325440 1037296679 /nfs/dbraw/zinc/29/66/79/1037296679.db2.gz KDCAOJYCCCFPSR-INIZCTEOSA-N 1 3 382.570 3.735 20 0 GHADHO CCOC(=O)CC1([NH2+][C@@H](C)CC(C)(C)SCc2ccco2)CCNCC1 ZINC001246325440 1037296696 /nfs/dbraw/zinc/29/66/96/1037296696.db2.gz KDCAOJYCCCFPSR-INIZCTEOSA-N 1 3 382.570 3.735 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2(c3ccc(F)cc3)CCNCC2)cc1 ZINC001246334333 1037300055 /nfs/dbraw/zinc/30/00/55/1037300055.db2.gz CJJGWZJSMGZGTP-KRWDZBQOSA-N 1 3 384.495 3.802 20 0 GHADHO Fc1cccc(CN2CCC([NH2+][C@@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)c1F ZINC001246352223 1037309721 /nfs/dbraw/zinc/30/97/21/1037309721.db2.gz BEKHYECVXFMFOY-YADHBBJMSA-N 1 3 399.529 3.882 20 0 GHADHO Fc1cccc(F)c1CN1CCC([NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246356230 1037313164 /nfs/dbraw/zinc/31/31/64/1037313164.db2.gz RSVHNMLWBRDMLC-RTWAWAEBSA-N 1 3 399.529 3.882 20 0 GHADHO CCOC(=O)CCc1ccc(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246363852 1037324092 /nfs/dbraw/zinc/32/40/92/1037324092.db2.gz TTXMTNWZRGNTJD-GOTSBHOMSA-N 1 3 380.532 3.635 20 0 GHADHO COc1ccc(C2(NC3CCC(C(=O)OC(C)(C)C)CC3)CC[NH2+]CC2)cc1 ZINC001246379801 1037339027 /nfs/dbraw/zinc/33/90/27/1037339027.db2.gz GVMREVPPXWWTQF-UHFFFAOYSA-N 1 3 388.552 3.764 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)CC1 ZINC001246384791 1037344580 /nfs/dbraw/zinc/34/45/80/1037344580.db2.gz BPVNFNHDBXETEO-PKOBYXMFSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H](NC2(Cc3ccccc3Cl)CC[NH2+]CC2)C1 ZINC001246396195 1037356526 /nfs/dbraw/zinc/35/65/26/1037356526.db2.gz YLXGSYXUNVQXKR-WMZOPIPTSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246396195 1037356546 /nfs/dbraw/zinc/35/65/46/1037356546.db2.gz YLXGSYXUNVQXKR-WMZOPIPTSA-N 1 3 378.944 3.716 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246418486 1037372485 /nfs/dbraw/zinc/37/24/85/1037372485.db2.gz ABLULOCTOIAMLY-YOEHRIQHSA-N 1 3 384.442 3.606 20 0 GHADHO FC(F)(F)c1ccccc1C1([NH2+][C@H]2CCN[C@@H](C(F)(F)F)C2)CCNCC1 ZINC001246453514 1037413236 /nfs/dbraw/zinc/41/32/36/1037413236.db2.gz WMYOZDPOWOOPRG-SWLSCSKDSA-N 1 3 395.391 3.557 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H](NC[C@]3(CC4CC4)CCC[NH2+]3)CC[C@H]2C1 ZINC001246462354 1037418471 /nfs/dbraw/zinc/41/84/71/1037418471.db2.gz QDAJJIPWCUEIEP-KELBGUDLSA-N 1 3 395.591 3.829 20 0 GHADHO CC(C)(C)OC(=O)C1CCC([NH2+]C2(Cc3cccc(F)c3)CCNCC2)CC1 ZINC001246465928 1037420301 /nfs/dbraw/zinc/42/03/01/1037420301.db2.gz SFLSCWJUXORAPS-UHFFFAOYSA-N 1 3 390.543 3.981 20 0 GHADHO COc1cc(NC(=O)C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)cc2ccccc21 ZINC001246487278 1037432261 /nfs/dbraw/zinc/43/22/61/1037432261.db2.gz KVYRGGOSMKETSR-SIKLNZKXSA-N 1 3 389.499 3.870 20 0 GHADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246494715 1037438659 /nfs/dbraw/zinc/43/86/59/1037438659.db2.gz KUYIUGMDDRQAEL-AWEZNQCLSA-N 1 3 381.442 3.558 20 0 GHADHO OC1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246519775 1037455159 /nfs/dbraw/zinc/45/51/59/1037455159.db2.gz QCHJUSWTXNRSJZ-FCHUYYIVSA-N 1 3 384.951 3.987 20 0 GHADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001246662426 1037533934 /nfs/dbraw/zinc/53/39/34/1037533934.db2.gz IZIDUDXXSGLTKX-XSTDGIKWSA-N 1 3 375.560 3.999 20 0 GHADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001246662426 1037533941 /nfs/dbraw/zinc/53/39/41/1037533941.db2.gz IZIDUDXXSGLTKX-XSTDGIKWSA-N 1 3 375.560 3.999 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)cc1 ZINC001246686622 1037548153 /nfs/dbraw/zinc/54/81/53/1037548153.db2.gz SACZNRPHLPBCMP-DNVKUUNQSA-N 1 3 392.543 3.657 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)cc1 ZINC001246686622 1037548171 /nfs/dbraw/zinc/54/81/71/1037548171.db2.gz SACZNRPHLPBCMP-DNVKUUNQSA-N 1 3 392.543 3.657 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001246686622 1037548185 /nfs/dbraw/zinc/54/81/85/1037548185.db2.gz SACZNRPHLPBCMP-DNVKUUNQSA-N 1 3 392.543 3.657 20 0 GHADHO CCCC[C@H]1C[C@@H](N2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CC[NH2+]1 ZINC001246724187 1037576086 /nfs/dbraw/zinc/57/60/86/1037576086.db2.gz USEGMPSFMHIKSI-QXUYBEEESA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CCN1 ZINC001246724187 1037576099 /nfs/dbraw/zinc/57/60/99/1037576099.db2.gz USEGMPSFMHIKSI-QXUYBEEESA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@H]1C[C@@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CCN1 ZINC001246724187 1037576122 /nfs/dbraw/zinc/57/61/22/1037576122.db2.gz USEGMPSFMHIKSI-QXUYBEEESA-N 1 3 375.601 3.943 20 0 GHADHO CC[C@@H]1[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727758 1037577302 /nfs/dbraw/zinc/57/73/02/1037577302.db2.gz WDYLTUNNVKCPDV-UGTOYMOASA-N 1 3 375.601 3.799 20 0 GHADHO CC[C@@H]1[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727758 1037577311 /nfs/dbraw/zinc/57/73/11/1037577311.db2.gz WDYLTUNNVKCPDV-UGTOYMOASA-N 1 3 375.601 3.799 20 0 GHADHO Cc1cccc(N2CCCN([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853306 1037676555 /nfs/dbraw/zinc/67/65/55/1037676555.db2.gz UUGGUPWBKWPICW-UNMCSNQZSA-N 1 3 382.527 3.843 20 0 GHADHO COc1ccc(CN(Cc2ccccc2)[C@H]2CSC3(C[NH2+]C3)C2)c(OC)c1 ZINC001246866790 1037685480 /nfs/dbraw/zinc/68/54/80/1037685480.db2.gz DTQFEAPAWLPJPC-LJQANCHMSA-N 1 3 384.545 3.554 20 0 GHADHO O=C(N(c1ccccc1)c1ccccc1)N1CCN([C@@H]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246948769 1037750563 /nfs/dbraw/zinc/75/05/63/1037750563.db2.gz LMWXSXAMAZBUFC-JOCHJYFZSA-N 1 3 390.531 3.704 20 0 GHADHO C[NH+]1CCC2(CCN(Cc3c[nH]c4cc(Br)ncc34)CC2)CC1 ZINC001232863855 1038624467 /nfs/dbraw/zinc/62/44/67/1038624467.db2.gz VRBPMRFCYGJCGZ-UHFFFAOYSA-N 1 3 377.330 3.633 20 0 GHADHO Cc1cc(O)cc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001232879916 1038651174 /nfs/dbraw/zinc/65/11/74/1038651174.db2.gz FKIXINYHYIAPSU-QFIPXVFZSA-N 1 3 380.532 3.956 20 0 GHADHO Cc1cc(O)cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001232879916 1038651232 /nfs/dbraw/zinc/65/12/32/1038651232.db2.gz FKIXINYHYIAPSU-QFIPXVFZSA-N 1 3 380.532 3.956 20 0 GHADHO FC(F)Oc1ccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001232953399 1038731295 /nfs/dbraw/zinc/73/12/95/1038731295.db2.gz UBAGXWAZXJVQPB-UHFFFAOYSA-N 1 3 388.462 3.566 20 0 GHADHO FC(F)Oc1ccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001232953399 1038731303 /nfs/dbraw/zinc/73/13/03/1038731303.db2.gz UBAGXWAZXJVQPB-UHFFFAOYSA-N 1 3 388.462 3.566 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cnn3ccccc13)CC2 ZINC001233237586 1038997217 /nfs/dbraw/zinc/99/72/17/1038997217.db2.gz UFWQBYHVHKUBIS-LJQANCHMSA-N 1 3 396.560 3.651 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cnn3ccccc13)CC2 ZINC001233237586 1038997218 /nfs/dbraw/zinc/99/72/18/1038997218.db2.gz UFWQBYHVHKUBIS-LJQANCHMSA-N 1 3 396.560 3.651 20 0 GHADHO COC(=O)/C=C/c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001233299421 1039091456 /nfs/dbraw/zinc/09/14/56/1039091456.db2.gz YPSQUVMALIANCL-CJZRDCOESA-N 1 3 390.527 3.971 20 0 GHADHO COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001233299421 1039091472 /nfs/dbraw/zinc/09/14/72/1039091472.db2.gz YPSQUVMALIANCL-CJZRDCOESA-N 1 3 390.527 3.971 20 0 GHADHO O[C@]1(CN[C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948020 1039291198 /nfs/dbraw/zinc/29/11/98/1039291198.db2.gz IFNUOMCLYLDLIH-ZEQRLZLVSA-N 1 3 398.522 3.520 20 0 GHADHO O[C@]1(CN[C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948020 1039291204 /nfs/dbraw/zinc/29/12/04/1039291204.db2.gz IFNUOMCLYLDLIH-ZEQRLZLVSA-N 1 3 398.522 3.520 20 0 GHADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H](C(C)(C)C)C(O)(c1ccccc1)c1ccccc1 ZINC001253213125 1039476696 /nfs/dbraw/zinc/47/66/96/1039476696.db2.gz LICUALBWDNNNMF-GOTSBHOMSA-N 1 3 398.591 3.630 20 0 GHADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254193196 1040042477 /nfs/dbraw/zinc/04/24/77/1040042477.db2.gz VPHWUDVDYNYFKL-LJQANCHMSA-N 1 3 391.556 3.506 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001254369854 1040197151 /nfs/dbraw/zinc/19/71/51/1040197151.db2.gz VYEUJQVJQTYBTG-QFIPXVFZSA-N 1 3 386.584 3.557 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](N1CCC(C)([NH+]3CCCC3)CC1)C2 ZINC001254786795 1040544478 /nfs/dbraw/zinc/54/44/78/1040544478.db2.gz UEMMZBDTNMRDDF-SFHVURJKSA-N 1 3 377.573 3.726 20 0 GHADHO CCC(CC)N1CCC([NH2+][C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254893047 1040648397 /nfs/dbraw/zinc/64/83/97/1040648397.db2.gz JHWPURYHZCTNRC-IZZQQSIFSA-N 1 3 379.589 3.875 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](N3CCC([NH3+])(c4ccccc4)CC3)C[C@@H]2C1 ZINC001254898832 1040653198 /nfs/dbraw/zinc/65/31/98/1040653198.db2.gz YKZYRBFDWRHBPX-OPVJXMOQSA-N 1 3 385.552 3.582 20 0 GHADHO Brc1ccc2c(c1CN1CCCC[C@H]1C1CC[NH2+]CC1)OCO2 ZINC001235159789 1040653430 /nfs/dbraw/zinc/65/34/30/1040653430.db2.gz OOMHXXOCYDQYJJ-INIZCTEOSA-N 1 3 381.314 3.532 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972631 1040700261 /nfs/dbraw/zinc/70/02/61/1040700261.db2.gz VHPHWYUQQSQNBU-WJMWBRGCSA-N 1 3 387.568 3.871 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972631 1040700272 /nfs/dbraw/zinc/70/02/72/1040700272.db2.gz VHPHWYUQQSQNBU-WJMWBRGCSA-N 1 3 387.568 3.871 20 0 GHADHO C[C@@H](C[NH3+])CN(Cc1ccccc1)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972631 1040700289 /nfs/dbraw/zinc/70/02/89/1040700289.db2.gz VHPHWYUQQSQNBU-WJMWBRGCSA-N 1 3 387.568 3.871 20 0 GHADHO O[C@H]1C[C@@H](N[C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068711 1040762379 /nfs/dbraw/zinc/76/23/79/1040762379.db2.gz BNYDPFJFXSPEFL-UBCNIHEASA-N 1 3 376.544 3.864 20 0 GHADHO O[C@H]1C[C@@H](N[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068711 1040762396 /nfs/dbraw/zinc/76/23/96/1040762396.db2.gz BNYDPFJFXSPEFL-UBCNIHEASA-N 1 3 376.544 3.864 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130546 1040825281 /nfs/dbraw/zinc/82/52/81/1040825281.db2.gz VRMBDCCKFFUJSN-VHXCZSFDSA-N 1 3 391.559 3.677 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130546 1040825300 /nfs/dbraw/zinc/82/53/00/1040825300.db2.gz VRMBDCCKFFUJSN-VHXCZSFDSA-N 1 3 391.559 3.677 20 0 GHADHO CCOC(=O)[C@@]12CN(Cc3cc(C)c(Cl)cc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235350212 1040826141 /nfs/dbraw/zinc/82/61/41/1040826141.db2.gz WQOGVJBHYYLLRV-KXBFYZLASA-N 1 3 385.335 3.667 20 0 GHADHO COCc1cccc([C@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001255134344 1040834212 /nfs/dbraw/zinc/83/42/12/1040834212.db2.gz BBHWIGHLYSGJCK-KIHHCIJBSA-N 1 3 380.532 3.652 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCc4ncnc(C5CC5)c4CC2)C3)cc1 ZINC001255144411 1040856767 /nfs/dbraw/zinc/85/67/67/1040856767.db2.gz SGUWLZGKQLKHGB-KOUNCHBCSA-N 1 3 388.559 3.950 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCc4ncnc(C5CC5)c4CC2)C3)cc1 ZINC001255144411 1040856784 /nfs/dbraw/zinc/85/67/84/1040856784.db2.gz SGUWLZGKQLKHGB-KOUNCHBCSA-N 1 3 388.559 3.950 20 0 GHADHO FC(F)(F)c1ccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c(C(F)(F)F)c1 ZINC001235369132 1040870914 /nfs/dbraw/zinc/87/09/14/1040870914.db2.gz QNFZRJGIUVVCAV-SQWLQELKSA-N 1 3 394.359 3.677 20 0 GHADHO Cc1c(I)cccc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432863 1040933166 /nfs/dbraw/zinc/93/31/66/1040933166.db2.gz WSVXBWSTTOGUIT-RDJZCZTQSA-N 1 3 398.332 3.811 20 0 GHADHO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)cc1 ZINC001255389649 1040978549 /nfs/dbraw/zinc/97/85/49/1040978549.db2.gz OVXKNCWFXNRPGS-NRFANRHFSA-N 1 3 386.561 3.625 20 0 GHADHO CC1(COc2ccc(C[NH2+][C@@H]3CCCN(Cc4ccccc4)CC3)cn2)COC1 ZINC001255392628 1040980341 /nfs/dbraw/zinc/98/03/41/1040980341.db2.gz JXTBTQFSILJSIN-JOCHJYFZSA-N 1 3 395.547 3.641 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255400724 1040986554 /nfs/dbraw/zinc/98/65/54/1040986554.db2.gz NEXYGAQDIBUROC-YPAWHYETSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255400724 1040986555 /nfs/dbraw/zinc/98/65/55/1040986555.db2.gz NEXYGAQDIBUROC-YPAWHYETSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)NCCN1CCC2(CC1)CC[NH+](Cc1cccs1)CC2 ZINC001235574689 1040995249 /nfs/dbraw/zinc/99/52/49/1040995249.db2.gz KUILVUBARMDYNG-UHFFFAOYSA-N 1 3 393.597 3.951 20 0 GHADHO c1cc(-c2ccc3c(C4CN(Cc5cc6c(s5)C[NH2+]CC6)C4)ncn3c2)co1 ZINC001235658129 1041104858 /nfs/dbraw/zinc/10/48/58/1041104858.db2.gz UHWKZYJHXRKYOR-UHFFFAOYSA-N 1 3 390.512 3.901 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3[C@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659196 1041109410 /nfs/dbraw/zinc/10/94/10/1041109410.db2.gz CXVXJEUNYACOAU-JUHPOPGZSA-N 1 3 377.523 3.588 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3[C@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659196 1041109418 /nfs/dbraw/zinc/10/94/18/1041109418.db2.gz CXVXJEUNYACOAU-JUHPOPGZSA-N 1 3 377.523 3.588 20 0 GHADHO COc1cccc(OC)c1CN1CCC(n2cc(C[NH3+])c3ccccc32)CC1 ZINC001255922225 1041409643 /nfs/dbraw/zinc/40/96/43/1041409643.db2.gz XKFUBTDQRAVKGA-UHFFFAOYSA-N 1 3 379.504 3.954 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](N2Cc3ccc(F)cc3C2=O)CC1 ZINC001255952931 1041434072 /nfs/dbraw/zinc/43/40/72/1041434072.db2.gz PEANCQYLTHYXDZ-VDGAXYAQSA-N 1 3 375.532 3.803 20 0 GHADHO COC(=O)[C@@H](C[NH3+])Cc1ccc(-c2cccc(CN3CCCCC3)c2F)cc1 ZINC001236019973 1041510060 /nfs/dbraw/zinc/51/00/60/1041510060.db2.gz ZCFFHSVHMKBWKW-HXUWFJFHSA-N 1 3 384.495 3.769 20 0 GHADHO FC(F)(F)Oc1ccc(C2CC[NH+](Cc3ccc4n3CCNC4)CC2)cc1 ZINC001236085551 1041525524 /nfs/dbraw/zinc/52/55/24/1041525524.db2.gz RGMAGMGJAHPTBC-UHFFFAOYSA-N 1 3 379.426 3.870 20 0 GHADHO COc1ccc([C@@H](C[N@H+](C)Cc2ccc3n2CCNC3)C2(O)CCCCC2)cc1 ZINC001236093413 1041529460 /nfs/dbraw/zinc/52/94/60/1041529460.db2.gz HPGHVODJSWPXMT-HSZRJFAPSA-N 1 3 397.563 3.511 20 0 GHADHO COc1ccc([C@@H](C[N@@H+](C)Cc2ccc3n2CCNC3)C2(O)CCCCC2)cc1 ZINC001236093413 1041529468 /nfs/dbraw/zinc/52/94/68/1041529468.db2.gz HPGHVODJSWPXMT-HSZRJFAPSA-N 1 3 397.563 3.511 20 0 GHADHO Cc1ccc(F)cc1C[N@H+](CC1CCC2(CC1)OCCO2)C1CCNCC1 ZINC001236509432 1041745552 /nfs/dbraw/zinc/74/55/52/1041745552.db2.gz MMFVUWMPHCODMF-UHFFFAOYSA-N 1 3 376.516 3.621 20 0 GHADHO Cc1ccc(F)cc1C[N@@H+](CC1CCC2(CC1)OCCO2)C1CCNCC1 ZINC001236509432 1041745560 /nfs/dbraw/zinc/74/55/60/1041745560.db2.gz MMFVUWMPHCODMF-UHFFFAOYSA-N 1 3 376.516 3.621 20 0 GHADHO COc1ccc(CN(Cc2cnc3ccc(Cl)nn23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545778 1041758543 /nfs/dbraw/zinc/75/85/43/1041758543.db2.gz UOLYFOFNBQFMRQ-QAQDUYKDSA-N 1 3 399.926 3.663 20 0 GHADHO COc1ccc(CN(Cc2cnn3ccc(Cl)nc23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236554296 1041760731 /nfs/dbraw/zinc/76/07/31/1041760731.db2.gz YBMIAMWILFEUOZ-IYARVYRRSA-N 1 3 399.926 3.663 20 0 GHADHO c1ncn(-c2cccc(CN3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c2)n1 ZINC001236889255 1041941321 /nfs/dbraw/zinc/94/13/21/1041941321.db2.gz FULXGHIMXKRBDO-XWVZOOPGSA-N 1 3 389.547 3.662 20 0 GHADHO c1ncn(-c2cccc(CN3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)c2)n1 ZINC001236889255 1041941322 /nfs/dbraw/zinc/94/13/22/1041941322.db2.gz FULXGHIMXKRBDO-XWVZOOPGSA-N 1 3 389.547 3.662 20 0 GHADHO Cc1c(Cl)cccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001237733953 1042345415 /nfs/dbraw/zinc/34/54/15/1042345415.db2.gz PKTJBIOVLDRQJD-NHCUHLMSSA-N 1 3 389.971 3.556 20 0 GHADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(CC(=O)N(CC5CC5)C4)CC3)cc21 ZINC001237880466 1042407629 /nfs/dbraw/zinc/40/76/29/1042407629.db2.gz WNVSOKUMIIDRHD-UHFFFAOYSA-N 1 3 393.575 3.912 20 0 GHADHO CCOC(=O)COc1cccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001237917711 1042421896 /nfs/dbraw/zinc/42/18/96/1042421896.db2.gz AZXYEHSOCGMERK-JOCHJYFZSA-N 1 3 396.531 3.582 20 0 GHADHO CCOC(=O)COc1cccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001237917711 1042421897 /nfs/dbraw/zinc/42/18/97/1042421897.db2.gz AZXYEHSOCGMERK-JOCHJYFZSA-N 1 3 396.531 3.582 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cc(O)ccc1C)CC2 ZINC001238093844 1042490123 /nfs/dbraw/zinc/49/01/23/1042490123.db2.gz VPGOSEFVAWFBJB-JOCHJYFZSA-N 1 3 395.547 3.599 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cncnc4C)CC3)CC2)c1 ZINC001238167663 1042507234 /nfs/dbraw/zinc/50/72/34/1042507234.db2.gz ONMWKISPYDIBJR-UHFFFAOYSA-N 1 3 380.536 3.672 20 0 GHADHO S=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(Oc2ccccc2)cc1 ZINC001239361538 1042813429 /nfs/dbraw/zinc/81/34/29/1042813429.db2.gz ABZYZPTZMWQFCO-GOSISDBHSA-N 1 3 396.560 3.640 20 0 GHADHO CN1CCN(Cc2cccc(-c3ccc4c(c3)CCC43CC[NH2+]CC3)c2)CC1 ZINC001240292739 1042919167 /nfs/dbraw/zinc/91/91/67/1042919167.db2.gz IPUVRGGNGWIPKH-UHFFFAOYSA-N 1 3 375.560 3.668 20 0 GHADHO CN1CCN(Cc2cccc(-c3cccc4c3C3(CC4)CC[NH2+]CC3)c2)CC1 ZINC001240292681 1042919215 /nfs/dbraw/zinc/91/92/15/1042919215.db2.gz FQSCMIJMXBYLCR-UHFFFAOYSA-N 1 3 375.560 3.668 20 0 GHADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001291616944 1043360742 /nfs/dbraw/zinc/36/07/42/1043360742.db2.gz MTCHWEBMBFEXGB-RBUKOAKNSA-N 1 3 390.620 3.587 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256522828 1043447589 /nfs/dbraw/zinc/44/75/89/1043447589.db2.gz KDVGHYNUHSDHSK-CVDCTZTESA-N 1 3 380.532 3.935 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256522828 1043447593 /nfs/dbraw/zinc/44/75/93/1043447593.db2.gz KDVGHYNUHSDHSK-CVDCTZTESA-N 1 3 380.532 3.935 20 0 GHADHO C[C@@H]1C[C@H](NCCc2nc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001256523371 1043451343 /nfs/dbraw/zinc/45/13/43/1043451343.db2.gz OMXVKBUHSSQUAO-WIYYLYMNSA-N 1 3 376.504 3.922 20 0 GHADHO C[C@@H]1C[C@H](NCCc2nc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001256523371 1043451358 /nfs/dbraw/zinc/45/13/58/1043451358.db2.gz OMXVKBUHSSQUAO-WIYYLYMNSA-N 1 3 376.504 3.922 20 0 GHADHO C[C@H]1C[C@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256536552 1043479744 /nfs/dbraw/zinc/47/97/44/1043479744.db2.gz FCJWWKUVGZDVGC-BDKRGJGYSA-N 1 3 399.579 3.981 20 0 GHADHO C[C@H]1C[C@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256536552 1043479754 /nfs/dbraw/zinc/47/97/54/1043479754.db2.gz FCJWWKUVGZDVGC-BDKRGJGYSA-N 1 3 399.579 3.981 20 0 GHADHO FC(F)(F)Oc1cccc2c1CC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683349 1043619383 /nfs/dbraw/zinc/61/93/83/1043619383.db2.gz YFKGTZKMKPYTRT-JTTJXQCZSA-N 1 3 384.442 3.806 20 0 GHADHO Fc1cccc([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CCOCC2)c1 ZINC001256686972 1043622742 /nfs/dbraw/zinc/62/27/42/1043622742.db2.gz YBXOIPXFQRLFSR-LZBANZJXSA-N 1 3 376.516 3.526 20 0 GHADHO [NH3+]CCc1cn(C2CCN(c3ncccc3C(F)(F)F)CC2)c2ccncc12 ZINC001256880800 1043718020 /nfs/dbraw/zinc/71/80/20/1043718020.db2.gz BYKKMEHTVRVZTB-UHFFFAOYSA-N 1 3 389.425 3.793 20 0 GHADHO COc1ccc2cc(CC[C@@H](C)N3CCN(CC[NH+]4CCCC4)CC3)ccc2c1 ZINC001257284436 1043956232 /nfs/dbraw/zinc/95/62/32/1043956232.db2.gz GPKUIDLYGYZYGL-OAQYLSRUSA-N 1 3 395.591 3.883 20 0 GHADHO CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257463876 1044005712 /nfs/dbraw/zinc/00/57/12/1044005712.db2.gz QPQYVHOEDVKCGU-VWPQPMDRSA-N 1 3 387.612 3.996 20 0 GHADHO COc1ccc(C2(N)CC[NH+](C3CCN(c4cccc(F)c4)CC3)CC2)cc1 ZINC001258418503 1044550683 /nfs/dbraw/zinc/55/06/83/1044550683.db2.gz RHZUVIBOJZPAFX-UHFFFAOYSA-N 1 3 383.511 3.753 20 0 GHADHO C[C@H](CC1CC1)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258466491 1044573449 /nfs/dbraw/zinc/57/34/49/1044573449.db2.gz QWBUJZUZYPCLIO-ZFJSRUIDSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H](CC1CC1)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258466491 1044573456 /nfs/dbraw/zinc/57/34/56/1044573456.db2.gz QWBUJZUZYPCLIO-ZFJSRUIDSA-N 1 3 383.580 3.821 20 0 GHADHO C[NH+](C)CC[C@H](N[C@@H]1CCC(=O)N(Cc2ccccc2)CC1)c1ccccc1 ZINC001258567973 1044645405 /nfs/dbraw/zinc/64/54/05/1044645405.db2.gz IGLXSMBRLPRCTD-PKTZIBPZSA-N 1 3 379.548 3.850 20 0 GHADHO CCC[NH+]1CCC(N2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001258773912 1044758674 /nfs/dbraw/zinc/75/86/74/1044758674.db2.gz SAORABXYAKTRLL-OAQYLSRUSA-N 1 3 375.582 3.551 20 0 GHADHO CCC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)CC1 ZINC001258778186 1044761602 /nfs/dbraw/zinc/76/16/02/1044761602.db2.gz YURYSQBTVSWKOO-UHFFFAOYSA-N 1 3 377.960 3.543 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001295977077 1045205648 /nfs/dbraw/zinc/20/56/48/1045205648.db2.gz GXJCFABDFGJYEY-AQNXPRMDSA-N 1 3 390.620 3.585 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001295977077 1045205655 /nfs/dbraw/zinc/20/56/55/1045205655.db2.gz GXJCFABDFGJYEY-AQNXPRMDSA-N 1 3 390.620 3.585 20 0 GHADHO COc1c(Cl)cccc1CN1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279197658 1047740542 /nfs/dbraw/zinc/74/05/42/1047740542.db2.gz BNCKUNWEQAORKV-NRFANRHFSA-N 1 3 379.976 3.588 20 0 GHADHO CSc1cccc(Cl)c1C[NH2+][C@@]12CC[C@@](NCC(=O)N(C)C)(C1)CCC2 ZINC001279494024 1047824071 /nfs/dbraw/zinc/82/40/71/1047824071.db2.gz BWHHGZBZXDVFRG-VQTJNVASSA-N 1 3 396.000 3.675 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001305417683 1048037690 /nfs/dbraw/zinc/03/76/90/1048037690.db2.gz ZOWQPBRNCHMLDS-LWYYNNOASA-N 1 3 392.636 3.687 20 0 GHADHO Cc1cc(Cl)c(Cl)cc1CN[C@@]12CC[C@@]([NH2+]CC(=O)N(C)C)(C1)CCC2 ZINC001280094563 1048078128 /nfs/dbraw/zinc/07/81/28/1048078128.db2.gz GEFYRUXDIKETKB-VQTJNVASSA-N 1 3 398.378 3.915 20 0 GHADHO CCCC[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306685569 1048811802 /nfs/dbraw/zinc/81/18/02/1048811802.db2.gz GVCYORJYJBAXBG-MOPGFXCFSA-N 1 3 392.636 3.518 20 0 GHADHO CCCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306685569 1048811819 /nfs/dbraw/zinc/81/18/19/1048811819.db2.gz GVCYORJYJBAXBG-MOPGFXCFSA-N 1 3 392.636 3.518 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001307440333 1049277008 /nfs/dbraw/zinc/27/70/08/1049277008.db2.gz JLLIDQDSALFGFD-QHAWAJNXSA-N 1 3 393.616 3.933 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@@H](C)C1 ZINC001307709015 1049524614 /nfs/dbraw/zinc/52/46/14/1049524614.db2.gz PSABUSCDMZMXTD-ZFWWWQNUSA-N 1 3 375.376 3.737 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855314 1049636678 /nfs/dbraw/zinc/63/66/78/1049636678.db2.gz RLSZDIPEAQHGIH-FCHUYYIVSA-N 1 3 379.548 3.674 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855314 1049636688 /nfs/dbraw/zinc/63/66/88/1049636688.db2.gz RLSZDIPEAQHGIH-FCHUYYIVSA-N 1 3 379.548 3.674 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2ccccc2Sc2cccc(OC)c2)CC1 ZINC001308198025 1049909903 /nfs/dbraw/zinc/90/99/03/1049909903.db2.gz SUXNTGJXCDNZCJ-UHFFFAOYSA-N 1 3 399.604 3.964 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001308329479 1049950128 /nfs/dbraw/zinc/95/01/28/1049950128.db2.gz AVAHCJCVFMGUOJ-BJKOFHAPSA-N 1 3 398.522 3.872 20 0 GHADHO CCCOc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)c1 ZINC001308438392 1049976636 /nfs/dbraw/zinc/97/66/36/1049976636.db2.gz APBSGJDGBCKPNZ-UHFFFAOYSA-N 1 3 382.548 3.901 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC001308896587 1050145654 /nfs/dbraw/zinc/14/56/54/1050145654.db2.gz CJBBNXHWZLKVOS-AZUAARDMSA-N 1 3 399.579 3.744 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(n4cc(Br)cn4)CC3)CC2)C1 ZINC001308930551 1050186850 /nfs/dbraw/zinc/18/68/50/1050186850.db2.gz DKHANIMSOSAPPR-QAPCUYQASA-N 1 3 395.389 3.767 20 0 GHADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc4c(c3)CNCC4)ccc21 ZINC001328161488 1050418478 /nfs/dbraw/zinc/41/84/78/1050418478.db2.gz SGPVNCZQIJMHGP-UHFFFAOYSA-N 1 3 390.531 3.881 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001311400790 1052100938 /nfs/dbraw/zinc/10/09/38/1052100938.db2.gz SXUHZAKZJRZSTA-QINBWVTOSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001311400790 1052100954 /nfs/dbraw/zinc/10/09/54/1052100954.db2.gz SXUHZAKZJRZSTA-QINBWVTOSA-N 1 3 392.632 3.649 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)N2CCCC2)cc1 ZINC001311766251 1052384070 /nfs/dbraw/zinc/38/40/70/1052384070.db2.gz ROQGDVZKFAPFSV-BJESRGMDSA-N 1 3 398.595 3.504 20 0 GHADHO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001312649263 1052826068 /nfs/dbraw/zinc/82/60/68/1052826068.db2.gz TWGQJFZJYMJMGE-XZOQPEGZSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001312649263 1052826074 /nfs/dbraw/zinc/82/60/74/1052826074.db2.gz TWGQJFZJYMJMGE-XZOQPEGZSA-N 1 3 398.595 3.699 20 0 GHADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001313068887 1052948790 /nfs/dbraw/zinc/94/87/90/1052948790.db2.gz ITECLUYKCIQQKL-JOCHJYFZSA-N 1 3 398.595 3.701 20 0 GHADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001313068887 1052948792 /nfs/dbraw/zinc/94/87/92/1052948792.db2.gz ITECLUYKCIQQKL-JOCHJYFZSA-N 1 3 398.595 3.701 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC001318194552 1054489684 /nfs/dbraw/zinc/48/96/84/1054489684.db2.gz UMFRJGAREAMMPW-QFIPXVFZSA-N 1 3 386.584 3.648 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CSCCc4ccccc43)c2)CC1 ZINC001319393045 1055224444 /nfs/dbraw/zinc/22/44/44/1055224444.db2.gz IOAHXBWFLYJGES-HSZRJFAPSA-N 1 3 381.589 3.554 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001200762130 1056912587 /nfs/dbraw/zinc/91/25/87/1056912587.db2.gz UAOLVLBPDLSRRN-IBGZPJMESA-N 1 3 385.527 3.915 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(Cl)c(F)c3)CC2)CC1 ZINC001326757497 1057550958 /nfs/dbraw/zinc/55/09/58/1057550958.db2.gz RKUIDZUOJJGURN-OAHLLOKOSA-N 1 3 395.950 3.853 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC001442596104 1058981715 /nfs/dbraw/zinc/98/17/15/1058981715.db2.gz URINLLRMVXBMET-BJKOFHAPSA-N 1 3 391.559 3.770 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC001442596104 1058981719 /nfs/dbraw/zinc/98/17/19/1058981719.db2.gz URINLLRMVXBMET-BJKOFHAPSA-N 1 3 391.559 3.770 20 0 GHADHO COCCC[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(F)cc1 ZINC001339892766 1059541655 /nfs/dbraw/zinc/54/16/55/1059541655.db2.gz JBSSJFXISXXWPR-XMMPIXPASA-N 1 3 399.554 3.831 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3ccccc3N3CCN(C)CC3)CC2)C1 ZINC001340530663 1059966043 /nfs/dbraw/zinc/96/60/43/1059966043.db2.gz YZQMERDCGJYPTN-OFNKIYASSA-N 1 3 384.612 3.571 20 0 GHADHO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(CN2CCCCC2)o1 ZINC001464109691 1064829005 /nfs/dbraw/zinc/82/90/05/1064829005.db2.gz YRHKQYQLGCTMRT-FQEVSTJZSA-N 1 3 381.520 3.660 20 0 GHADHO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(CN2CCCCC2)o1 ZINC001464109691 1064829014 /nfs/dbraw/zinc/82/90/14/1064829014.db2.gz YRHKQYQLGCTMRT-FQEVSTJZSA-N 1 3 381.520 3.660 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCCCC2 ZINC001464698569 1065162615 /nfs/dbraw/zinc/16/26/15/1065162615.db2.gz WJCJNPLIAUYQBE-LJQANCHMSA-N 1 3 391.625 3.895 20 0 GHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001477597828 1078484162 /nfs/dbraw/zinc/48/41/62/1078484162.db2.gz GECKENGHQQSMAA-APWZRJJASA-N 1 3 394.991 3.752 20 0 GHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001477597828 1078484163 /nfs/dbraw/zinc/48/41/63/1078484163.db2.gz GECKENGHQQSMAA-APWZRJJASA-N 1 3 394.991 3.752 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001477596543 1078483372 /nfs/dbraw/zinc/48/33/72/1078483372.db2.gz WIZSHWNCMBNNOU-JTVPBKEVSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H](C)C[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001477596543 1078483374 /nfs/dbraw/zinc/48/33/74/1078483374.db2.gz WIZSHWNCMBNNOU-JTVPBKEVSA-N 1 3 392.632 3.649 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)N2CCCC2)cc1 ZINC001468387839 1067714200 /nfs/dbraw/zinc/71/42/00/1067714200.db2.gz KNTONCKMHCNXRH-JOCHJYFZSA-N 1 3 388.600 3.940 20 0 GHADHO Cc1ccccc1OCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849099670 1067726423 /nfs/dbraw/zinc/72/64/23/1067726423.db2.gz CCSQWUFWPWGLKB-UHFFFAOYSA-N 1 3 380.536 3.542 20 0 GHADHO CC1([NH+]2CCC2)CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001468871821 1067914754 /nfs/dbraw/zinc/91/47/54/1067914754.db2.gz DUAYFZMWQNRSOL-XERBYJISSA-N 1 3 398.595 3.920 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC001471505786 1073108318 /nfs/dbraw/zinc/10/83/18/1073108318.db2.gz WDALVNXMHCQZGH-UHFFFAOYSA-N 1 3 398.595 3.619 20 0 GHADHO Cc1ccc(C[C@]2(C)CCC[N@H+]2CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC001473686807 1074086506 /nfs/dbraw/zinc/08/65/06/1074086506.db2.gz KXWNGFVGSMHQPB-ZCYQVOJMSA-N 1 3 393.575 3.811 20 0 GHADHO Cc1ccc(C[C@]2(C)CCC[N@@H+]2CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC001473686807 1074086512 /nfs/dbraw/zinc/08/65/12/1074086512.db2.gz KXWNGFVGSMHQPB-ZCYQVOJMSA-N 1 3 393.575 3.811 20 0 GHADHO CC(C)(C)OCCCN1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001473755743 1074125478 /nfs/dbraw/zinc/12/54/78/1074125478.db2.gz ZQYWFBITJGTTSH-UHFFFAOYSA-N 1 3 387.612 3.995 20 0 GHADHO COc1cccc(-c2csc(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)n2)c1 ZINC001474015824 1074236020 /nfs/dbraw/zinc/23/60/20/1074236020.db2.gz GNFGUQSUQAGKJF-CALCHBBNSA-N 1 3 389.565 3.798 20 0 GHADHO CCOc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1OCC(C)C ZINC001474068469 1074253171 /nfs/dbraw/zinc/25/31/71/1074253171.db2.gz XUUMANJTLANMSW-NHCUHLMSSA-N 1 3 390.568 3.588 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)CC1 ZINC001474169853 1074282112 /nfs/dbraw/zinc/28/21/12/1074282112.db2.gz WLEWTHKZXZBENV-XMMPIXPASA-N 1 3 395.591 3.529 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC001474235954 1074303547 /nfs/dbraw/zinc/30/35/47/1074303547.db2.gz ZZYCOPRRACJCLI-IEBWSBKVSA-N 1 3 383.502 3.761 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC001474317476 1074339506 /nfs/dbraw/zinc/33/95/06/1074339506.db2.gz GWHQRQFRTYHXDK-XLIONFOSSA-N 1 3 375.557 3.873 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC001474317476 1074339518 /nfs/dbraw/zinc/33/95/18/1074339518.db2.gz GWHQRQFRTYHXDK-XLIONFOSSA-N 1 3 375.557 3.873 20 0 GHADHO COc1ccc([C@@H](Cc2ccccc2)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC001474562693 1074464233 /nfs/dbraw/zinc/46/42/33/1074464233.db2.gz RYYMJQSNOYUJBR-HSZRJFAPSA-N 1 3 382.548 3.804 20 0 GHADHO CCC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000825170979 607819969 /nfs/dbraw/zinc/81/99/69/607819969.db2.gz LDELXDUOKMFLMA-UHFFFAOYSA-N 1 3 390.535 3.649 20 0 GHADHO CCC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000825170979 607819970 /nfs/dbraw/zinc/81/99/70/607819970.db2.gz LDELXDUOKMFLMA-UHFFFAOYSA-N 1 3 390.535 3.649 20 0 GHADHO C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824576912 609329017 /nfs/dbraw/zinc/32/90/17/609329017.db2.gz FGQRYSWIALSUBS-MRXNPFEDSA-N 1 3 394.498 3.569 20 0 GHADHO COc1ccc(Cc2nc(C)c([C@H](C)N[C@H]3CCC[C@@H]([NH3+])C3)s2)cc1OC ZINC000423374980 837722231 /nfs/dbraw/zinc/72/22/31/837722231.db2.gz ILYLNBUOZCWRLK-XKQJLSEDSA-N 1 3 389.565 3.980 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000118773848 834683764 /nfs/dbraw/zinc/68/37/64/834683764.db2.gz UEICMJXJIRBHOF-ROUUACIJSA-N 1 3 385.552 3.982 20 0 GHADHO c1ccc(CCN2CCC([NH2+]C3CCN(CCc4ccccc4)CC3)CC2)cc1 ZINC000224366207 834869652 /nfs/dbraw/zinc/86/96/52/834869652.db2.gz AMFVTDQVWXGMCN-UHFFFAOYSA-N 1 3 391.603 3.990 20 0 GHADHO C[C@H]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CCN1Cc1ccccc1 ZINC000433364346 844053331 /nfs/dbraw/zinc/05/33/31/844053331.db2.gz JMBRFQHQSBWYRL-NZQKXSOJSA-N 1 3 379.548 3.802 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141751 835452058 /nfs/dbraw/zinc/45/20/58/835452058.db2.gz UKYQAUQOGXOQBC-PZJWPPBQSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141751 835452061 /nfs/dbraw/zinc/45/20/61/835452061.db2.gz UKYQAUQOGXOQBC-PZJWPPBQSA-N 1 3 386.923 3.910 20 0 GHADHO COCCOc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000132967308 835457419 /nfs/dbraw/zinc/45/74/19/835457419.db2.gz OHUNEARJWFWSMW-UHFFFAOYSA-N 1 3 397.563 3.532 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccco3)c3ccccc3)CC2)CC1 ZINC000584181670 835733650 /nfs/dbraw/zinc/73/36/50/835733650.db2.gz FGDDVBJRNPFNEN-QHCPKHFHSA-N 1 3 395.547 3.682 20 0 GHADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000584219895 835769770 /nfs/dbraw/zinc/76/97/70/835769770.db2.gz RVMLGLKCBNONQC-FYYLOGMGSA-N 1 3 382.552 3.714 20 0 GHADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000275115764 836301261 /nfs/dbraw/zinc/30/12/61/836301261.db2.gz YXVQVKLYSFMRBR-QUCCMNQESA-N 1 3 397.567 3.744 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000584485185 836334544 /nfs/dbraw/zinc/33/45/44/836334544.db2.gz YDTCCAKQYVOQHI-JOCHJYFZSA-N 1 3 383.536 3.570 20 0 GHADHO CC[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000413791194 836339246 /nfs/dbraw/zinc/33/92/46/836339246.db2.gz LEFDGRDDGPWMHC-XDLUSNJSSA-N 1 3 377.960 3.710 20 0 GHADHO CC[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000413791194 836339258 /nfs/dbraw/zinc/33/92/58/836339258.db2.gz LEFDGRDDGPWMHC-XDLUSNJSSA-N 1 3 377.960 3.710 20 0 GHADHO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483676 844153582 /nfs/dbraw/zinc/15/35/82/844153582.db2.gz IFANADGNQXZXAA-KSEOMHKRSA-N 1 3 399.604 3.622 20 0 GHADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCCN3Cc3ccccc3)C2)CC1 ZINC000109660824 836461079 /nfs/dbraw/zinc/46/10/79/836461079.db2.gz GCIOEWYPCYYALT-DHIUTWEWSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2c(NC(=O)OC(C)(C)C)cnn2C)C1 ZINC000892587574 836822906 /nfs/dbraw/zinc/82/29/06/836822906.db2.gz AQXZNRDQSAUHIV-IAGOWNOFSA-N 1 3 393.576 3.615 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659284658 838208552 /nfs/dbraw/zinc/20/85/52/838208552.db2.gz LZZWPDDLHWKCLI-ILBGXUMGSA-N 1 3 389.543 3.736 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659284658 838208569 /nfs/dbraw/zinc/20/85/69/838208569.db2.gz LZZWPDDLHWKCLI-ILBGXUMGSA-N 1 3 389.543 3.736 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000415909920 838266699 /nfs/dbraw/zinc/26/66/99/838266699.db2.gz UURBCRZRKHSQCJ-LJQANCHMSA-N 1 3 380.536 3.924 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2NCc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000659319242 838278541 /nfs/dbraw/zinc/27/85/41/838278541.db2.gz LLUOWCCTWUDHIO-RFWXGWTQSA-N 1 3 377.532 3.638 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2NCc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000659319242 838278547 /nfs/dbraw/zinc/27/85/47/838278547.db2.gz LLUOWCCTWUDHIO-RFWXGWTQSA-N 1 3 377.532 3.638 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000415918672 838278649 /nfs/dbraw/zinc/27/86/49/838278649.db2.gz LSDGEQMWCZKJLX-QFIPXVFZSA-N 1 3 380.536 3.924 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000415947054 838301633 /nfs/dbraw/zinc/30/16/33/838301633.db2.gz VNENIKCNRGPSNN-OAQYLSRUSA-N 1 3 380.536 3.755 20 0 GHADHO CS(=O)(=O)c1cccc([C@H](N[C@@H]2CC[C@@H](C[NH3+])C2)c2ccc(Cl)cc2)c1 ZINC000576389018 844358085 /nfs/dbraw/zinc/35/80/85/844358085.db2.gz PIJXFFCIAVIJPE-LXGCGDOSSA-N 1 3 392.952 3.550 20 0 GHADHO CN(CC[C@H]1Sc2ccccc2NC1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659973114 839031244 /nfs/dbraw/zinc/03/12/44/839031244.db2.gz MCDGDYCNDNTVLC-SIKLNZKXSA-N 1 3 395.572 3.943 20 0 GHADHO CN(CC[C@H]1Sc2ccccc2NC1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659973114 839031255 /nfs/dbraw/zinc/03/12/55/839031255.db2.gz MCDGDYCNDNTVLC-SIKLNZKXSA-N 1 3 395.572 3.943 20 0 GHADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000415013692 839061706 /nfs/dbraw/zinc/06/17/06/839061706.db2.gz YWMXLZPBDFDNCE-SGXKBVARSA-N 1 3 399.510 3.534 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1)C1CC1 ZINC000511561447 839320268 /nfs/dbraw/zinc/32/02/68/839320268.db2.gz PUAYDWNOGLOVQR-QFIPXVFZSA-N 1 3 377.532 3.675 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1)C1CC1 ZINC000511561447 839320276 /nfs/dbraw/zinc/32/02/76/839320276.db2.gz PUAYDWNOGLOVQR-QFIPXVFZSA-N 1 3 377.532 3.675 20 0 GHADHO CCOc1ccc(OC[C@@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000644569838 839811716 /nfs/dbraw/zinc/81/17/16/839811716.db2.gz FGOJYKQLEUSWHZ-UGKGYDQZSA-N 1 3 398.547 3.640 20 0 GHADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000471598329 839866704 /nfs/dbraw/zinc/86/67/04/839866704.db2.gz VUEIVUFPQJSLBG-MOPGFXCFSA-N 1 3 385.552 3.696 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000513120366 844517248 /nfs/dbraw/zinc/51/72/48/844517248.db2.gz MVSXWOKYXGJEFA-AWEZNQCLSA-N 1 3 379.932 3.530 20 0 GHADHO CC[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417009082 840364063 /nfs/dbraw/zinc/36/40/63/840364063.db2.gz JWURGYAMEXBNBF-PKTZIBPZSA-N 1 3 394.563 3.603 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276214212 841388279 /nfs/dbraw/zinc/38/82/79/841388279.db2.gz IAYNZEOAYZDUTR-UHFFFAOYSA-N 1 3 379.504 3.529 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000660338894 841450600 /nfs/dbraw/zinc/45/06/00/841450600.db2.gz MOOSPVXSVYLDFA-ICSRJNTNSA-N 1 3 392.613 3.552 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000660338894 841450604 /nfs/dbraw/zinc/45/06/04/841450604.db2.gz MOOSPVXSVYLDFA-ICSRJNTNSA-N 1 3 392.613 3.552 20 0 GHADHO COC(=O)Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000600184143 861207223 /nfs/dbraw/zinc/20/72/23/861207223.db2.gz GMUFHYUQDLPMTQ-JOCHJYFZSA-N 1 3 378.516 3.689 20 0 GHADHO COC(=O)Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000600184143 861207236 /nfs/dbraw/zinc/20/72/36/861207236.db2.gz GMUFHYUQDLPMTQ-JOCHJYFZSA-N 1 3 378.516 3.689 20 0 GHADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000651817712 841649504 /nfs/dbraw/zinc/64/95/04/841649504.db2.gz XVZLORFROVVNPP-VXKWHMMOSA-N 1 3 388.596 3.956 20 0 GHADHO CC(C)[NH+]1CCN(CCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000661377789 841689130 /nfs/dbraw/zinc/68/91/30/841689130.db2.gz VKYVDFREALWAIN-UHFFFAOYSA-N 1 3 399.410 3.532 20 0 GHADHO C[C@@H]1C[N@H+](CCCNCc2ccc(-n3cnc4ccccc43)cc2)CCCO1 ZINC000432356030 842156701 /nfs/dbraw/zinc/15/67/01/842156701.db2.gz HBWVQGSEYAIGCA-LJQANCHMSA-N 1 3 378.520 3.616 20 0 GHADHO C[C@@H]1C[N@@H+](CCCNCc2ccc(-n3cnc4ccccc43)cc2)CCCO1 ZINC000432356030 842156703 /nfs/dbraw/zinc/15/67/03/842156703.db2.gz HBWVQGSEYAIGCA-LJQANCHMSA-N 1 3 378.520 3.616 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000178038029 861296702 /nfs/dbraw/zinc/29/67/02/861296702.db2.gz SSPXSMPLSJFFPA-KDURUIRLSA-N 1 3 394.003 3.783 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606623172 842816440 /nfs/dbraw/zinc/81/64/40/842816440.db2.gz BJGMAVWHZKRQLD-IBGZPJMESA-N 1 3 390.597 3.545 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606623172 842816452 /nfs/dbraw/zinc/81/64/52/842816452.db2.gz BJGMAVWHZKRQLD-IBGZPJMESA-N 1 3 390.597 3.545 20 0 GHADHO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295185 843086483 /nfs/dbraw/zinc/08/64/83/843086483.db2.gz FTTIURXALJASOL-ZBFHGGJFSA-N 1 3 383.458 3.744 20 0 GHADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000430867659 843110134 /nfs/dbraw/zinc/11/01/34/843110134.db2.gz LNOPHULPFAGFLL-UXHICEINSA-N 1 3 375.582 3.514 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3NCc4ccccc43)cc2)CC1 ZINC000662374161 843173812 /nfs/dbraw/zinc/17/38/12/843173812.db2.gz IKZOBVNUVJBSRR-HSZRJFAPSA-N 1 3 377.532 3.769 20 0 GHADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cc2c(s1)CCNC2 ZINC000662421507 843215372 /nfs/dbraw/zinc/21/53/72/843215372.db2.gz DQPDDMYINHCEFB-UHFFFAOYSA-N 1 3 383.561 3.700 20 0 GHADHO C[C@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000162945717 843550682 /nfs/dbraw/zinc/55/06/82/843550682.db2.gz PXUKUHLGCMVSRE-JXFKEZNVSA-N 1 3 396.453 3.728 20 0 GHADHO CCCN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418730580 843578813 /nfs/dbraw/zinc/57/88/13/843578813.db2.gz SNGRXNVQJONXFE-YPAWHYETSA-N 1 3 386.584 3.590 20 0 GHADHO C[N@H+](CCOc1cccc(CNCc2cccc3cc[nH]c32)c1)C1CCOCC1 ZINC000237205287 843918493 /nfs/dbraw/zinc/91/84/93/843918493.db2.gz WIQWUYVHXBZLGH-UHFFFAOYSA-N 1 3 393.531 3.947 20 0 GHADHO C[N@@H+](CCOc1cccc(CNCc2cccc3cc[nH]c32)c1)C1CCOCC1 ZINC000237205287 843918501 /nfs/dbraw/zinc/91/85/01/843918501.db2.gz WIQWUYVHXBZLGH-UHFFFAOYSA-N 1 3 393.531 3.947 20 0 GHADHO O=C(CN[C@H](c1ccccc1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000179105960 861471181 /nfs/dbraw/zinc/47/11/81/861471181.db2.gz SFNOUDHYDBRXNW-XMMPIXPASA-N 1 3 377.532 3.640 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)NC1CCCCC1 ZINC000512621177 844765698 /nfs/dbraw/zinc/76/56/98/844765698.db2.gz VGTCXSDSQOAKIA-ACIOBRDBSA-N 1 3 383.580 3.716 20 0 GHADHO CC[NH+]1CCN(Cc2ccccc2CNCc2ccc(F)c(F)c2F)CC1 ZINC000657312857 846059069 /nfs/dbraw/zinc/05/90/69/846059069.db2.gz OITVXBZFUMTNQE-UHFFFAOYSA-N 1 3 377.454 3.531 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(-c4ccccn4)c3)CC2)CC1 ZINC000421369841 846181596 /nfs/dbraw/zinc/18/15/96/846181596.db2.gz IACTWBKIJJTEMX-UHFFFAOYSA-N 1 3 378.564 3.741 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(-c4ccccn4)c3)CC2)CC1 ZINC000421369841 846181601 /nfs/dbraw/zinc/18/16/01/846181601.db2.gz IACTWBKIJJTEMX-UHFFFAOYSA-N 1 3 378.564 3.741 20 0 GHADHO OCCOc1ccc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513655051 846197086 /nfs/dbraw/zinc/19/70/86/846197086.db2.gz KRZVFTXDCYGPSA-ZKMPZPQNSA-N 1 3 394.559 3.838 20 0 GHADHO OCCOc1ccc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513655051 846197090 /nfs/dbraw/zinc/19/70/90/846197090.db2.gz KRZVFTXDCYGPSA-ZKMPZPQNSA-N 1 3 394.559 3.838 20 0 GHADHO C[C@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000513666648 846232807 /nfs/dbraw/zinc/23/28/07/846232807.db2.gz MWGVYOHEFRIYAZ-ZBLHWPFVSA-N 1 3 393.531 3.825 20 0 GHADHO C[C@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000513666648 846232819 /nfs/dbraw/zinc/23/28/19/846232819.db2.gz MWGVYOHEFRIYAZ-ZBLHWPFVSA-N 1 3 393.531 3.825 20 0 GHADHO CC[C@@H](C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)N(C)C ZINC000513696119 846427918 /nfs/dbraw/zinc/42/79/18/846427918.db2.gz SJASVVZOLRPYBQ-QHCPKHFHSA-N 1 3 379.548 3.906 20 0 GHADHO CC(C)c1cccc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501029627 846547645 /nfs/dbraw/zinc/54/76/45/846547645.db2.gz SXTJLBVUJZWYRL-UHFFFAOYSA-N 1 3 380.536 3.992 20 0 GHADHO COc1ccc([C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C2CC2)c(F)c1 ZINC000421855515 846623999 /nfs/dbraw/zinc/62/39/99/846623999.db2.gz MMCISDQTQXIJBQ-HSZRJFAPSA-N 1 3 398.522 3.902 20 0 GHADHO C[C@@H]1C[C@@H](N2CC[C@@]3(CCN3c3ncccn3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168044552 861711354 /nfs/dbraw/zinc/71/13/54/861711354.db2.gz FNUJQAOHKGTRHH-DAVFGYKESA-N 1 3 391.563 3.573 20 0 GHADHO C[C@@H]1C[C@@H](N2CC[C@@]3(CCN3c3ncccn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044552 861711357 /nfs/dbraw/zinc/71/13/57/861711357.db2.gz FNUJQAOHKGTRHH-DAVFGYKESA-N 1 3 391.563 3.573 20 0 GHADHO C[C@@H]1C[NH+](CCCCNCc2c(F)ccc(Br)c2F)C[C@@H](C)O1 ZINC000501432159 846925761 /nfs/dbraw/zinc/92/57/61/846925761.db2.gz CVGWMQMWSSCIOT-CHWSQXEVSA-N 1 3 391.300 3.706 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2c(C(F)(F)F)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000657416875 847113921 /nfs/dbraw/zinc/11/39/21/847113921.db2.gz YPOOINYJBYDZBK-NVXWUHKLSA-N 1 3 380.458 3.829 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2c(C(F)(F)F)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657416875 847113926 /nfs/dbraw/zinc/11/39/26/847113926.db2.gz YPOOINYJBYDZBK-NVXWUHKLSA-N 1 3 380.458 3.829 20 0 GHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1SC ZINC000272740614 847160494 /nfs/dbraw/zinc/16/04/94/847160494.db2.gz KWKPTCDQNADHJB-UZLBHIALSA-N 1 3 386.561 3.835 20 0 GHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1SC ZINC000272740614 847160499 /nfs/dbraw/zinc/16/04/99/847160499.db2.gz KWKPTCDQNADHJB-UZLBHIALSA-N 1 3 386.561 3.835 20 0 GHADHO O=C(CN(Cc1ccc(F)cc1)C1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000513785010 847555805 /nfs/dbraw/zinc/55/58/05/847555805.db2.gz DEBBHDSGPSFRTC-UHFFFAOYSA-N 1 3 387.543 3.703 20 0 GHADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503474355 847726615 /nfs/dbraw/zinc/72/66/15/847726615.db2.gz PSLJGSSUOUPAAB-XZOQPEGZSA-N 1 3 398.595 3.559 20 0 GHADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000503495954 847749681 /nfs/dbraw/zinc/74/96/81/847749681.db2.gz IBNWBFDPKDMIMT-RBBKRZOGSA-N 1 3 386.584 3.587 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422822156 847839568 /nfs/dbraw/zinc/83/95/68/847839568.db2.gz JHOZZUBKYPIEFV-BRWVUGGUSA-N 1 3 379.932 3.578 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422869183 847859700 /nfs/dbraw/zinc/85/97/00/847859700.db2.gz WWEMHXYLGCROJH-BTCOZLQPSA-N 1 3 382.504 3.919 20 0 GHADHO CCOC(=O)C1([C@@H](C)N[C@@H](c2ccccc2)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422876244 847864800 /nfs/dbraw/zinc/86/48/00/847864800.db2.gz QBLKLHJMURNEES-UTKZUKDTSA-N 1 3 384.495 3.826 20 0 GHADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422878361 847865314 /nfs/dbraw/zinc/86/53/14/847865314.db2.gz JAKLLNONWZBABT-DENIHFKCSA-N 1 3 381.520 3.701 20 0 GHADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000422886095 847870011 /nfs/dbraw/zinc/87/00/11/847870011.db2.gz WAYHVMAPJSAKAL-QRVBRYPASA-N 1 3 375.969 3.970 20 0 GHADHO COc1ccc([C@H](NC2CCN([C@H](C)c3ccncc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422963933 847905341 /nfs/dbraw/zinc/90/53/41/847905341.db2.gz HJHSVBIUWFPTNY-DKLXNKCPSA-N 1 3 394.563 3.699 20 0 GHADHO COC[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000422946835 847910552 /nfs/dbraw/zinc/91/05/52/847910552.db2.gz PJRVLABXVUMDCW-OALUTQOASA-N 1 3 377.326 3.882 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423025502 847943829 /nfs/dbraw/zinc/94/38/29/847943829.db2.gz OMOCHELONDTCLM-QSZISKGPSA-N 1 3 390.934 3.985 20 0 GHADHO CN(C)[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000604156809 861869852 /nfs/dbraw/zinc/86/98/52/861869852.db2.gz CPRNKLFPFAEZKF-GOTSBHOMSA-N 1 3 394.563 3.816 20 0 GHADHO C[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000604171041 861922904 /nfs/dbraw/zinc/92/29/04/861922904.db2.gz JOGZKVSUBFPAAH-SJBKTWHCSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000604171041 861922919 /nfs/dbraw/zinc/92/29/19/861922919.db2.gz JOGZKVSUBFPAAH-SJBKTWHCSA-N 1 3 386.584 3.633 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(c4ccccc4)(C(C)C)C3)CC2)CC1 ZINC000582975703 848801611 /nfs/dbraw/zinc/80/16/11/848801611.db2.gz PIWQNLZJNLNFAT-UHFFFAOYSA-N 1 3 397.607 3.619 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccsc1 ZINC000079097116 848835682 /nfs/dbraw/zinc/83/56/82/848835682.db2.gz YVSHSPNXVCLHEP-LJQANCHMSA-N 1 3 380.602 3.551 20 0 GHADHO C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000162411202 849021389 /nfs/dbraw/zinc/02/13/89/849021389.db2.gz QNZWEHXSYPBJJR-LJQANCHMSA-N 1 3 382.552 3.863 20 0 GHADHO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000583196990 849308739 /nfs/dbraw/zinc/30/87/39/849308739.db2.gz YAKQNKRECVULEP-SFHVURJKSA-N 1 3 392.613 3.520 20 0 GHADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000583196990 849308749 /nfs/dbraw/zinc/30/87/49/849308749.db2.gz YAKQNKRECVULEP-SFHVURJKSA-N 1 3 392.613 3.520 20 0 GHADHO Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3cccc(OCC[NH+](C)C)c3)cn2)n1 ZINC000162784733 849457982 /nfs/dbraw/zinc/45/79/82/849457982.db2.gz XCJNYWYQCWGYNQ-IBGZPJMESA-N 1 3 393.535 3.675 20 0 GHADHO Cc1nccn1-c1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000126380997 849718735 /nfs/dbraw/zinc/71/87/35/849718735.db2.gz QHNSYAWTQPIFQJ-UHFFFAOYSA-N 1 3 393.510 3.512 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000423213529 849795364 /nfs/dbraw/zinc/79/53/64/849795364.db2.gz NKNGYIOWWFFENS-RYUDHWBXSA-N 1 3 377.838 3.665 20 0 GHADHO C[C@]1(CN[C@@H](c2cccc(Br)c2)C2CCOCC2)CCC[NH2+]C1 ZINC000423329136 849868902 /nfs/dbraw/zinc/86/89/02/849868902.db2.gz DYOCLOXUACEYKF-MOPGFXCFSA-N 1 3 381.358 3.896 20 0 GHADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128304 849925486 /nfs/dbraw/zinc/92/54/86/849925486.db2.gz LMDQNIXJYCOEAZ-RTWAWAEBSA-N 1 3 390.547 3.525 20 0 GHADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128304 849925492 /nfs/dbraw/zinc/92/54/92/849925492.db2.gz LMDQNIXJYCOEAZ-RTWAWAEBSA-N 1 3 390.547 3.525 20 0 GHADHO COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747369 849947088 /nfs/dbraw/zinc/94/70/88/849947088.db2.gz RTRAPOFBMQNHHS-MOPGFXCFSA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747369 849947100 /nfs/dbraw/zinc/94/71/00/849947100.db2.gz RTRAPOFBMQNHHS-MOPGFXCFSA-N 1 3 395.547 3.552 20 0 GHADHO COC[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000423522434 849966579 /nfs/dbraw/zinc/96/65/79/849966579.db2.gz HIXZGNIDHKKEID-NRFANRHFSA-N 1 3 387.955 3.611 20 0 GHADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760973 850058896 /nfs/dbraw/zinc/05/88/96/850058896.db2.gz ZNQOBJMOVVQAGR-QFBILLFUSA-N 1 3 397.485 3.820 20 0 GHADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760973 850058909 /nfs/dbraw/zinc/05/89/09/850058909.db2.gz ZNQOBJMOVVQAGR-QFBILLFUSA-N 1 3 397.485 3.820 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N(CC)CC[NH+]1CCCCCC1)c1ccco1 ZINC000509595633 850113537 /nfs/dbraw/zinc/11/35/37/850113537.db2.gz IILNHYWDVXBGNL-OALUTQOASA-N 1 3 378.561 3.616 20 0 GHADHO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000297428808 850201732 /nfs/dbraw/zinc/20/17/32/850201732.db2.gz ZMLONQTWYSWAJS-MSYCTHLASA-N 1 3 398.595 3.521 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H](C)O1 ZINC000435784677 850871268 /nfs/dbraw/zinc/87/12/68/850871268.db2.gz HDUVSXDFFIGTNN-WOJBJXKFSA-N 1 3 382.552 3.829 20 0 GHADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCN1Cc1ccccc1 ZINC000487782207 850886686 /nfs/dbraw/zinc/88/66/86/850886686.db2.gz LIGRDNNNQIOEHI-CVDCTZTESA-N 1 3 398.595 3.603 20 0 GHADHO Cc1ccc(C(F)(F)F)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000667940889 862189016 /nfs/dbraw/zinc/18/90/16/862189016.db2.gz RENIAILZPABQRZ-UHFFFAOYSA-N 1 3 398.473 3.694 20 0 GHADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000515475648 851074585 /nfs/dbraw/zinc/07/45/85/851074585.db2.gz CEXARHSNNKIWOB-YADHBBJMSA-N 1 3 383.536 3.748 20 0 GHADHO CN(C)Cc1ccc(C(N)=O)cc1N[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638257930 851955147 /nfs/dbraw/zinc/95/51/47/851955147.db2.gz DCDCNQDNPXZKHK-NZQKXSOJSA-N 1 3 392.547 3.627 20 0 GHADHO CN(C)Cc1ccc(C(N)=O)cc1N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638257930 851955151 /nfs/dbraw/zinc/95/51/51/851955151.db2.gz DCDCNQDNPXZKHK-NZQKXSOJSA-N 1 3 392.547 3.627 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000489185175 852099474 /nfs/dbraw/zinc/09/94/74/852099474.db2.gz NUNZKNNXSJFWQY-AUSIDOKSSA-N 1 3 394.563 3.601 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000489185175 852099479 /nfs/dbraw/zinc/09/94/79/852099479.db2.gz NUNZKNNXSJFWQY-AUSIDOKSSA-N 1 3 394.563 3.601 20 0 GHADHO Fc1ccc(C(CCCN2CCN([C@H]3CC[NH2+]C3)CC2)c2ccc(F)cc2)cc1 ZINC000489934956 852655489 /nfs/dbraw/zinc/65/54/89/852655489.db2.gz NGDVYPCOQZWXFN-QHCPKHFHSA-N 1 3 399.529 3.856 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000507193490 852664573 /nfs/dbraw/zinc/66/45/73/852664573.db2.gz OEMWNDPLSPJVLA-IBGZPJMESA-N 1 3 393.522 3.523 20 0 GHADHO C[NH2+]Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000516573021 852741318 /nfs/dbraw/zinc/74/13/18/852741318.db2.gz UIGGBDAGCXNUNT-FQEVSTJZSA-N 1 3 391.437 3.799 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccc(-n2ccnn2)cc1 ZINC000507509573 852988838 /nfs/dbraw/zinc/98/88/38/852988838.db2.gz LKQPIAGGZNJJPV-IZSMGAQTSA-N 1 3 387.531 3.829 20 0 GHADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(-n2ccnn2)cc1 ZINC000507509573 852988843 /nfs/dbraw/zinc/98/88/43/852988843.db2.gz LKQPIAGGZNJJPV-IZSMGAQTSA-N 1 3 387.531 3.829 20 0 GHADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(-n2ccnn2)cc1 ZINC000507509573 852988844 /nfs/dbraw/zinc/98/88/44/852988844.db2.gz LKQPIAGGZNJJPV-IZSMGAQTSA-N 1 3 387.531 3.829 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000438909417 853094431 /nfs/dbraw/zinc/09/44/31/853094431.db2.gz CXMHZNIVRGCHGB-UHFFFAOYSA-N 1 3 399.623 3.937 20 0 GHADHO COc1ccccc1-c1ncc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000490557443 853102731 /nfs/dbraw/zinc/10/27/31/853102731.db2.gz QCXHFTCYGMBFQI-KDURUIRLSA-N 1 3 382.552 4.000 20 0 GHADHO COc1ccccc1-c1ncc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000490557443 853102739 /nfs/dbraw/zinc/10/27/39/853102739.db2.gz QCXHFTCYGMBFQI-KDURUIRLSA-N 1 3 382.552 4.000 20 0 GHADHO C[C@H]1CN(CCCOc2ccc(C(C)(C)C)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490956717 853369018 /nfs/dbraw/zinc/36/90/18/853369018.db2.gz AXWLQFCXYPLLKQ-NZQKXSOJSA-N 1 3 387.612 3.711 20 0 GHADHO C[C@H]1CN(CCCOc2ccc3ccccc3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491000902 853397519 /nfs/dbraw/zinc/39/75/19/853397519.db2.gz XWPWMHSPWUCZCG-GBXCKJPGSA-N 1 3 381.564 3.567 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000519782534 853488182 /nfs/dbraw/zinc/48/81/82/853488182.db2.gz UOALYGCJJLSINC-RTBURBONSA-N 1 3 377.617 3.904 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167962272 853503581 /nfs/dbraw/zinc/50/35/81/853503581.db2.gz WCKSGBOMRJWBIF-NOSIKRSBSA-N 1 3 377.573 3.817 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962272 853503583 /nfs/dbraw/zinc/50/35/83/853503583.db2.gz WCKSGBOMRJWBIF-NOSIKRSBSA-N 1 3 377.573 3.817 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccsc1 ZINC000669279349 854354227 /nfs/dbraw/zinc/35/42/27/854354227.db2.gz CACWKRDVIZIFBU-CMKODMSKSA-N 1 3 392.613 3.552 20 0 GHADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)c1 ZINC000624005307 862578718 /nfs/dbraw/zinc/57/87/18/862578718.db2.gz MWJGLHNLKHTGHY-XZOQPEGZSA-N 1 3 377.532 3.845 20 0 GHADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)c1 ZINC000624005307 862578722 /nfs/dbraw/zinc/57/87/22/862578722.db2.gz MWJGLHNLKHTGHY-XZOQPEGZSA-N 1 3 377.532 3.845 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000624101909 862652384 /nfs/dbraw/zinc/65/23/84/862652384.db2.gz FHGIKVNSJITDMZ-IEBWSBKVSA-N 1 3 388.543 3.576 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107826582 855562482 /nfs/dbraw/zinc/56/24/82/855562482.db2.gz CKNPSKAHQXFLOO-OALUTQOASA-N 1 3 390.597 3.545 20 0 GHADHO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(OC)cc1 ZINC000180974968 862697510 /nfs/dbraw/zinc/69/75/10/862697510.db2.gz OOUTVFJMIICSKX-HSZRJFAPSA-N 1 3 395.547 3.762 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121814 862732240 /nfs/dbraw/zinc/73/22/40/862732240.db2.gz LYUFFTGQUVOVSJ-VWPQPMDRSA-N 1 3 393.641 3.687 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000674591941 856476629 /nfs/dbraw/zinc/47/66/29/856476629.db2.gz CXHPLANVAKOYCM-OAQYLSRUSA-N 1 3 383.580 3.764 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000674591941 856476638 /nfs/dbraw/zinc/47/66/38/856476638.db2.gz CXHPLANVAKOYCM-OAQYLSRUSA-N 1 3 383.580 3.764 20 0 GHADHO CCOc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000485436272 856524401 /nfs/dbraw/zinc/52/44/01/856524401.db2.gz KQMSBWWNLXYRSA-OAQYLSRUSA-N 1 3 395.547 3.868 20 0 GHADHO CCOc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000485436272 856524462 /nfs/dbraw/zinc/52/44/62/856524462.db2.gz KQMSBWWNLXYRSA-OAQYLSRUSA-N 1 3 395.547 3.868 20 0 GHADHO C[C@@H](c1ccccc1Cl)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984083 856690555 /nfs/dbraw/zinc/69/05/55/856690555.db2.gz DPKOCDQYBBOEGK-INIZCTEOSA-N 1 3 379.976 3.817 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(C(=O)OC(C)(C)C)CCOCC3)CC2)C1 ZINC000592395736 856804174 /nfs/dbraw/zinc/80/41/74/856804174.db2.gz YUOOWXYDPXVDMZ-QUCCMNQESA-N 1 3 394.600 3.758 20 0 GHADHO Cc1cc2c(cc1C)[C@@H](N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CCS2 ZINC000427873570 856808668 /nfs/dbraw/zinc/80/86/68/856808668.db2.gz ZSITZLVZUHHNLF-OALUTQOASA-N 1 3 377.598 3.522 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCCC(F)(F)C3)CC2)CC1 ZINC000573979615 856839047 /nfs/dbraw/zinc/83/90/47/856839047.db2.gz JUSXBPVGBMXQBG-KRWDZBQOSA-N 1 3 385.543 3.515 20 0 GHADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(CN2CCCC2)c1 ZINC000061567339 857530929 /nfs/dbraw/zinc/53/09/29/857530929.db2.gz WSOMGZRCYLSTCH-UHFFFAOYSA-N 1 3 397.588 3.986 20 0 GHADHO C[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000675777471 857607590 /nfs/dbraw/zinc/60/75/90/857607590.db2.gz IGKUWWPHBPGFAZ-STQMWFEESA-N 1 3 383.330 3.601 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000065468841 857618050 /nfs/dbraw/zinc/61/80/50/857618050.db2.gz WMCFPVCSYQHVNV-PKTZIBPZSA-N 1 3 394.563 3.562 20 0 GHADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000671740286 857751393 /nfs/dbraw/zinc/75/13/93/857751393.db2.gz GXQGVYDIYWXNKI-FDHFVPJWSA-N 1 3 390.575 3.923 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000065992628 857893368 /nfs/dbraw/zinc/89/33/68/857893368.db2.gz OVMUAQZAGVMMLW-HYBUGGRVSA-N 1 3 391.559 3.850 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3ccc(C)cc3)CC2)CC1 ZINC000574463902 857902783 /nfs/dbraw/zinc/90/27/83/857902783.db2.gz ZKLXCDKHTUOAIK-QHCPKHFHSA-N 1 3 383.580 3.855 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442709373 858066991 /nfs/dbraw/zinc/06/69/91/858066991.db2.gz ADRIMXPXTHYDBL-ICSRJNTNSA-N 1 3 383.502 3.959 20 0 GHADHO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443065061 858333299 /nfs/dbraw/zinc/33/32/99/858333299.db2.gz ZIJYHYJQNDGDTQ-RTBURBONSA-N 1 3 381.520 3.653 20 0 GHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000482635830 858723809 /nfs/dbraw/zinc/72/38/09/858723809.db2.gz URNFEPTXWPDZMO-OXQOHEQNSA-N 1 3 397.588 3.785 20 0 GHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000482635830 858723821 /nfs/dbraw/zinc/72/38/21/858723821.db2.gz URNFEPTXWPDZMO-OXQOHEQNSA-N 1 3 397.588 3.785 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000443670266 859263503 /nfs/dbraw/zinc/26/35/03/859263503.db2.gz SLZJZFZIMLACAH-WOJBJXKFSA-N 1 3 389.584 3.536 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000443670266 859263510 /nfs/dbraw/zinc/26/35/10/859263510.db2.gz SLZJZFZIMLACAH-WOJBJXKFSA-N 1 3 389.584 3.536 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN(CCc2ccc(F)cc2)C2CCCC2)CC1 ZINC000114455851 859613776 /nfs/dbraw/zinc/61/37/76/859613776.db2.gz DHKIDUHEZOTXOI-UHFFFAOYSA-N 1 3 389.559 3.602 20 0 GHADHO COCc1csc(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856560671 881444654 /nfs/dbraw/zinc/44/46/54/881444654.db2.gz YSSGDSBHQRIROD-HXUWFJFHSA-N 1 3 389.565 3.783 20 0 GHADHO COCc1csc(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856560671 881444668 /nfs/dbraw/zinc/44/46/68/881444668.db2.gz YSSGDSBHQRIROD-HXUWFJFHSA-N 1 3 389.565 3.783 20 0 GHADHO CCOc1ccccc1CN1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856562197 881470272 /nfs/dbraw/zinc/47/02/72/881470272.db2.gz VUTYDPHDQLXBRA-QFIPXVFZSA-N 1 3 383.536 3.974 20 0 GHADHO CCOc1ccccc1CN1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856562197 881470287 /nfs/dbraw/zinc/47/02/87/881470287.db2.gz VUTYDPHDQLXBRA-QFIPXVFZSA-N 1 3 383.536 3.974 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(-c3ccccc3)cc2)cc1 ZINC000123882828 860131652 /nfs/dbraw/zinc/13/16/52/860131652.db2.gz APFKAJZIVLCOFF-UHFFFAOYSA-N 1 3 387.527 3.935 20 0 GHADHO Cc1cccc(OCC[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856600384 881574986 /nfs/dbraw/zinc/57/49/86/881574986.db2.gz ZBXCPAHKCFHJSR-QHCPKHFHSA-N 1 3 383.536 3.762 20 0 GHADHO Cc1cccc(OCC[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856600384 881574993 /nfs/dbraw/zinc/57/49/93/881574993.db2.gz ZBXCPAHKCFHJSR-QHCPKHFHSA-N 1 3 383.536 3.762 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605519 881581892 /nfs/dbraw/zinc/58/18/92/881581892.db2.gz CNKYEQQULKPRLW-ROUUACIJSA-N 1 3 386.367 3.959 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605519 881581903 /nfs/dbraw/zinc/58/19/03/881581903.db2.gz CNKYEQQULKPRLW-ROUUACIJSA-N 1 3 386.367 3.959 20 0 GHADHO CCOc1c(Cl)cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000062253126 863153184 /nfs/dbraw/zinc/15/31/84/863153184.db2.gz GBODYWAEZINYOJ-HOTGVXAUSA-N 1 3 384.948 3.726 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000482562838 863315514 /nfs/dbraw/zinc/31/55/14/863315514.db2.gz DPIUUOBHFIILKB-IFMALSPDSA-N 1 3 399.966 3.801 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000482562838 863315529 /nfs/dbraw/zinc/31/55/29/863315529.db2.gz DPIUUOBHFIILKB-IFMALSPDSA-N 1 3 399.966 3.801 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000508470053 863761023 /nfs/dbraw/zinc/76/10/23/863761023.db2.gz RMYUVSWJUOIGQP-QHCPKHFHSA-N 1 3 379.548 3.923 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000508470053 863761032 /nfs/dbraw/zinc/76/10/32/863761032.db2.gz RMYUVSWJUOIGQP-QHCPKHFHSA-N 1 3 379.548 3.923 20 0 GHADHO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000159151578 864047781 /nfs/dbraw/zinc/04/77/81/864047781.db2.gz QYNMVPBZHBAVNT-INIZCTEOSA-N 1 3 388.943 3.736 20 0 GHADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000480136692 864101009 /nfs/dbraw/zinc/10/10/09/864101009.db2.gz IDMJWPHHWVSYPJ-QGZVFWFLSA-N 1 3 389.565 3.751 20 0 GHADHO c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n(CCc2ccccc2)n1 ZINC000621370097 864107530 /nfs/dbraw/zinc/10/75/30/864107530.db2.gz BLMXSAYIYOINKT-UHFFFAOYSA-N 1 3 389.547 3.523 20 0 GHADHO O=C(Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1)OCc1ccccc1 ZINC001168363201 864872004 /nfs/dbraw/zinc/87/20/04/864872004.db2.gz VRBOWBCMFCDPRD-UHFFFAOYSA-N 1 3 392.543 3.937 20 0 GHADHO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000064026535 865808213 /nfs/dbraw/zinc/80/82/13/865808213.db2.gz VOVUHTMNGJJCFW-UHFFFAOYSA-N 1 3 379.548 3.529 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000899377085 865870957 /nfs/dbraw/zinc/87/09/57/865870957.db2.gz UADWYOIJYRGSIU-WMZHIEFXSA-N 1 3 383.580 3.792 20 0 GHADHO CC(C)N(C(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481189954 865973349 /nfs/dbraw/zinc/97/33/49/865973349.db2.gz KQRPHHKCSHXGRJ-OFNKIYASSA-N 1 3 379.548 3.928 20 0 GHADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000534020238 865988939 /nfs/dbraw/zinc/98/89/39/865988939.db2.gz MTAPHTJLRARJEH-XZOQPEGZSA-N 1 3 395.547 3.582 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]Cc3cc[nH]c3)CC2)c1 ZINC000175696975 866013480 /nfs/dbraw/zinc/01/34/80/866013480.db2.gz MTNAZXKGJICESV-UHFFFAOYSA-N 1 3 380.458 3.726 20 0 GHADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000153693910 867029706 /nfs/dbraw/zinc/02/97/06/867029706.db2.gz UJDULWDORRSABP-ILBGXUMGSA-N 1 3 393.575 3.914 20 0 GHADHO COc1ccc(-c2nc(CNCCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000620756987 867275700 /nfs/dbraw/zinc/27/57/00/867275700.db2.gz PPXYTNCKFUOZHI-IRXDYDNUSA-N 1 3 389.565 3.798 20 0 GHADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154354847 867367433 /nfs/dbraw/zinc/36/74/33/867367433.db2.gz QRJPYPGRVAJJRN-MRXNPFEDSA-N 1 3 390.572 3.936 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000121331283 882077460 /nfs/dbraw/zinc/07/74/60/882077460.db2.gz IFNHZVVSCNLXBS-HUUCEWRRSA-N 1 3 389.918 3.866 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000155704494 868043013 /nfs/dbraw/zinc/04/30/13/868043013.db2.gz JWYLADJZUMZVDH-KBPBESRZSA-N 1 3 375.891 3.618 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000156194970 868282330 /nfs/dbraw/zinc/28/23/30/868282330.db2.gz ICEKFEZEVSSJMS-MOPGFXCFSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000156194970 868282342 /nfs/dbraw/zinc/28/23/42/868282342.db2.gz ICEKFEZEVSSJMS-MOPGFXCFSA-N 1 3 390.535 3.888 20 0 GHADHO Cc1cc(NC(=O)c2cccc(CN(C)C)c2)ccc1OCC[NH+]1CCCC1 ZINC000156655017 868428006 /nfs/dbraw/zinc/42/80/06/868428006.db2.gz KVDOBJKAYBHNGX-UHFFFAOYSA-N 1 3 381.520 3.784 20 0 GHADHO C[N@@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000920590473 882194787 /nfs/dbraw/zinc/19/47/87/882194787.db2.gz CCXNTUFHTWKHKG-LSDHHAIUSA-N 1 3 399.318 3.764 20 0 GHADHO C[N@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000920590473 882194793 /nfs/dbraw/zinc/19/47/93/882194793.db2.gz CCXNTUFHTWKHKG-LSDHHAIUSA-N 1 3 399.318 3.764 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1cccs1)N1CCOCC1 ZINC000479856853 868607558 /nfs/dbraw/zinc/60/75/58/868607558.db2.gz ZYFZTVHXGJOMQJ-HJNYFJLDSA-N 1 3 399.604 3.622 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1cccs1)N1CCOCC1 ZINC000479856853 868607568 /nfs/dbraw/zinc/60/75/68/868607568.db2.gz ZYFZTVHXGJOMQJ-HJNYFJLDSA-N 1 3 399.604 3.622 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000535398459 868690787 /nfs/dbraw/zinc/69/07/87/868690787.db2.gz SAEKQORJZPOVBU-YTFSRNRJSA-N 1 3 392.547 3.568 20 0 GHADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000446265457 869649248 /nfs/dbraw/zinc/64/92/48/869649248.db2.gz FFCYOAQSDUJSSZ-VIZSFHNOSA-N 1 3 385.552 3.534 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000462808080 870133574 /nfs/dbraw/zinc/13/35/74/870133574.db2.gz GOEHYYAQQDHMRD-XXBNENTESA-N 1 3 377.532 3.533 20 0 GHADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC[C@H]21 ZINC000248050841 870274188 /nfs/dbraw/zinc/27/41/88/870274188.db2.gz WGASOYYJFVLNPH-WOIUINJBSA-N 1 3 377.532 3.572 20 0 GHADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC[C@H]21 ZINC000248050841 870274195 /nfs/dbraw/zinc/27/41/95/870274195.db2.gz WGASOYYJFVLNPH-WOIUINJBSA-N 1 3 377.532 3.572 20 0 GHADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397560 870370232 /nfs/dbraw/zinc/37/02/32/870370232.db2.gz IAHUQLUDOKFWDC-BVSLBCMMSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397560 870370255 /nfs/dbraw/zinc/37/02/55/870370255.db2.gz IAHUQLUDOKFWDC-BVSLBCMMSA-N 1 3 398.595 3.603 20 0 GHADHO COc1ccccc1NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538946174 870954635 /nfs/dbraw/zinc/95/46/35/870954635.db2.gz YWVCFZWUGWPREZ-GOSISDBHSA-N 1 3 396.535 3.656 20 0 GHADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000540315587 870965516 /nfs/dbraw/zinc/96/55/16/870965516.db2.gz GZJKSZJRKMDZRN-ZCNNSNEGSA-N 1 3 393.369 3.868 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000463137632 870990911 /nfs/dbraw/zinc/99/09/11/870990911.db2.gz LMWQLVJUXVMPKB-WPYKKVEZSA-N 1 3 381.564 3.941 20 0 GHADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000463137632 870990916 /nfs/dbraw/zinc/99/09/16/870990916.db2.gz LMWQLVJUXVMPKB-WPYKKVEZSA-N 1 3 381.564 3.941 20 0 GHADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000463137632 870990921 /nfs/dbraw/zinc/99/09/21/870990921.db2.gz LMWQLVJUXVMPKB-WPYKKVEZSA-N 1 3 381.564 3.941 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000090028579 871090324 /nfs/dbraw/zinc/09/03/24/871090324.db2.gz MKNICHWRZKPZLX-QHCPKHFHSA-N 1 3 377.532 3.679 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169078751 871183258 /nfs/dbraw/zinc/18/32/58/871183258.db2.gz FWOXNYTUJRIPGE-MZADTFQBSA-N 1 3 385.552 3.695 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@@H](C)C1 ZINC001193649367 871215834 /nfs/dbraw/zinc/21/58/34/871215834.db2.gz PDUZWRAWEUTEDR-ZFWWWQNUSA-N 1 3 375.376 3.737 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@]3(CCCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131730 871221426 /nfs/dbraw/zinc/22/14/26/871221426.db2.gz YIYKWFPMZULUGB-VQQMMKBISA-N 1 3 377.573 3.867 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@]3(CCCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131730 871221444 /nfs/dbraw/zinc/22/14/44/871221444.db2.gz YIYKWFPMZULUGB-VQQMMKBISA-N 1 3 377.573 3.867 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)CC(=O)N(CC1CC1)c1ccccc13)C2 ZINC001169139028 871229096 /nfs/dbraw/zinc/22/90/96/871229096.db2.gz LTDLSOLDJYCTMI-AERCQKQUSA-N 1 3 393.575 3.792 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)CC(=O)N(CC1CC1)c1ccccc13)C2 ZINC001169139028 871229110 /nfs/dbraw/zinc/22/91/10/871229110.db2.gz LTDLSOLDJYCTMI-AERCQKQUSA-N 1 3 393.575 3.792 20 0 GHADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000539073360 871262938 /nfs/dbraw/zinc/26/29/38/871262938.db2.gz QUVLWFMCSMQYKI-OKZBNKHCSA-N 1 3 395.975 3.845 20 0 GHADHO COC(=O)CCCN1CCC(Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000463302669 871371897 /nfs/dbraw/zinc/37/18/97/871371897.db2.gz PYOGTOPDOUTQQA-LJQANCHMSA-N 1 3 387.568 3.748 20 0 GHADHO COC(=O)CCCN1CCC(Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000463302669 871371914 /nfs/dbraw/zinc/37/19/14/871371914.db2.gz PYOGTOPDOUTQQA-LJQANCHMSA-N 1 3 387.568 3.748 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NCCOc1ccc(F)cc1F)c1ccccc1O2 ZINC000540494465 871418119 /nfs/dbraw/zinc/41/81/19/871418119.db2.gz BIAUHLOFGLGTGD-IBGZPJMESA-N 1 3 388.458 3.921 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1O2 ZINC000540494465 871418131 /nfs/dbraw/zinc/41/81/31/871418131.db2.gz BIAUHLOFGLGTGD-IBGZPJMESA-N 1 3 388.458 3.921 20 0 GHADHO COC1CCN(C2(C[NH2+]C3CCN(CCc4ccccc4)CC3)CCCC2)CC1 ZINC000462113280 871633823 /nfs/dbraw/zinc/63/38/23/871633823.db2.gz RWNWKRYPWRLNHG-UHFFFAOYSA-N 1 3 399.623 3.707 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc4cc(C)ccc4o3)CC2)CC1 ZINC000618473570 871657408 /nfs/dbraw/zinc/65/74/08/871657408.db2.gz ZGWMEKWYFOGGMU-UHFFFAOYSA-N 1 3 383.536 3.554 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000462186436 871792750 /nfs/dbraw/zinc/79/27/50/871792750.db2.gz GBTUMOQIHGQKTR-XXBNENTESA-N 1 3 377.532 3.533 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001169757692 871844394 /nfs/dbraw/zinc/84/43/94/871844394.db2.gz ROYLXNNBEWXODR-NFBKMPQASA-N 1 3 381.564 3.702 20 0 GHADHO O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579899 871926027 /nfs/dbraw/zinc/92/60/27/871926027.db2.gz MHTPSRSJGQQTSM-XQUALCHDSA-N 1 3 389.543 3.573 20 0 GHADHO [NH3+]C1(c2ccc(C(F)(F)F)cc2)CCN([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926169 872041381 /nfs/dbraw/zinc/04/13/81/872041381.db2.gz WPMKCTGUCUBRTA-QGZVFWFLSA-N 1 3 384.442 3.641 20 0 GHADHO N[C@@H](CC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000448242387 873110858 /nfs/dbraw/zinc/11/08/58/873110858.db2.gz QNQBAWUKWFERTQ-NRFANRHFSA-N 1 3 394.519 3.530 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)ccc1OC ZINC000183026127 873129474 /nfs/dbraw/zinc/12/94/74/873129474.db2.gz XFXQJFDCASZHNF-GHTZIAJQSA-N 1 3 399.583 3.590 20 0 GHADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@@H]1c1ccccc1 ZINC000541239844 873203240 /nfs/dbraw/zinc/20/32/40/873203240.db2.gz PIGQEKXVCDDYBF-IGKWTDBASA-N 1 3 391.559 3.794 20 0 GHADHO C[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000527487617 873204725 /nfs/dbraw/zinc/20/47/25/873204725.db2.gz VADAABCLLBVAQW-RRPUWOKSSA-N 1 3 383.580 3.810 20 0 GHADHO Cc1cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc(C)c1OC(F)F ZINC000541761035 874226772 /nfs/dbraw/zinc/22/67/72/874226772.db2.gz OIJHVPKQTCANQU-UHFFFAOYSA-N 1 3 395.538 3.754 20 0 GHADHO Cc1cc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cs1 ZINC000449031123 874369704 /nfs/dbraw/zinc/36/97/04/874369704.db2.gz UHXZRVCKGFRVSE-UHFFFAOYSA-N 1 3 385.577 3.517 20 0 GHADHO CN(CCCOc1ccc2c(c1)OCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464842134 874613202 /nfs/dbraw/zinc/61/32/02/874613202.db2.gz FSDNZARPIAOEBY-HXUWFJFHSA-N 1 3 382.504 3.638 20 0 GHADHO CN(CCCOc1ccc2c(c1)OCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464842134 874613209 /nfs/dbraw/zinc/61/32/09/874613209.db2.gz FSDNZARPIAOEBY-HXUWFJFHSA-N 1 3 382.504 3.638 20 0 GHADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508879665 874666494 /nfs/dbraw/zinc/66/64/94/874666494.db2.gz JWVSMSKYDOMNJB-VJBMBRPKSA-N 1 3 394.563 3.594 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000449333596 874717637 /nfs/dbraw/zinc/71/76/37/874717637.db2.gz HFWDVZGNVSIMBX-NIJXNBFTSA-N 1 3 378.560 3.838 20 0 GHADHO C[C@@H]1CCN(C(=O)NCCCCCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000745781187 874799970 /nfs/dbraw/zinc/79/99/70/874799970.db2.gz YJNORLYUFNEKIQ-OAQYLSRUSA-N 1 3 388.600 3.805 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3cnc4c(cnn4C)c3)cc2)C1 ZINC001199320856 874923681 /nfs/dbraw/zinc/92/36/81/874923681.db2.gz RFXGPLIDZDWKBJ-HDICACEKSA-N 1 3 377.536 3.736 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3cnc4c(cnn4C)c3)cc2)C1 ZINC001199320856 874923689 /nfs/dbraw/zinc/92/36/89/874923689.db2.gz RFXGPLIDZDWKBJ-HDICACEKSA-N 1 3 377.536 3.736 20 0 GHADHO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCC1CC[NH+](C)CC1 ZINC000105459213 875298778 /nfs/dbraw/zinc/29/87/78/875298778.db2.gz ZJIRJITXKMOGTE-UHFFFAOYSA-N 1 3 381.351 3.978 20 0 GHADHO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000460490541 882935011 /nfs/dbraw/zinc/93/50/11/882935011.db2.gz MSTHOTADJSJGMU-FYQPLNBISA-N 1 3 399.579 3.573 20 0 GHADHO COc1ccccc1-c1ncc(CNCc2ccc(C[NH+](C)C)c(F)c2)cn1 ZINC000491358396 875635101 /nfs/dbraw/zinc/63/51/01/875635101.db2.gz FOTJCSUQQMMBAY-UHFFFAOYSA-N 1 3 380.467 3.643 20 0 GHADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CN(C)C ZINC000491549702 875792074 /nfs/dbraw/zinc/79/20/74/875792074.db2.gz WDSDGBDSRYDFHU-RYUDHWBXSA-N 1 3 379.854 3.863 20 0 GHADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C[NH+](C)C ZINC000491549702 875792084 /nfs/dbraw/zinc/79/20/84/875792084.db2.gz WDSDGBDSRYDFHU-RYUDHWBXSA-N 1 3 379.854 3.863 20 0 GHADHO CC[C@H](C)[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000303956633 876123537 /nfs/dbraw/zinc/12/35/37/876123537.db2.gz KPUWASCURUHUST-RBBKRZOGSA-N 1 3 385.596 3.883 20 0 GHADHO CSc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000173402278 876364435 /nfs/dbraw/zinc/36/44/35/876364435.db2.gz NNVJZGWIVFVRED-UTKZUKDTSA-N 1 3 397.588 3.957 20 0 GHADHO CSc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000173402278 876364450 /nfs/dbraw/zinc/36/44/50/876364450.db2.gz NNVJZGWIVFVRED-UTKZUKDTSA-N 1 3 397.588 3.957 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccccc3N3CCCCC3)cc2)C1 ZINC000850357198 876846827 /nfs/dbraw/zinc/84/68/27/876846827.db2.gz AODBYSFJECPMSV-HSZRJFAPSA-N 1 3 379.548 3.533 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccccc3N3CCCCC3)cc2)C1 ZINC000850357198 876846844 /nfs/dbraw/zinc/84/68/44/876846844.db2.gz AODBYSFJECPMSV-HSZRJFAPSA-N 1 3 379.548 3.533 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc(C)c1OC(F)F ZINC000850357285 876847846 /nfs/dbraw/zinc/84/78/46/876847846.db2.gz DODJLIYGIUFQIB-HXUWFJFHSA-N 1 3 390.474 3.761 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc(C)c1OC(F)F ZINC000850357285 876847856 /nfs/dbraw/zinc/84/78/56/876847856.db2.gz DODJLIYGIUFQIB-HXUWFJFHSA-N 1 3 390.474 3.761 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)CCCO2 ZINC000850425433 876907295 /nfs/dbraw/zinc/90/72/95/876907295.db2.gz MGOKCQGCYCSIOD-LJQANCHMSA-N 1 3 379.548 3.610 20 0 GHADHO COCc1cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1OC ZINC000850517299 876988885 /nfs/dbraw/zinc/98/88/85/876988885.db2.gz YGTMQHYMXDTYCY-SFHVURJKSA-N 1 3 383.536 3.799 20 0 GHADHO O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134893072 883094471 /nfs/dbraw/zinc/09/44/71/883094471.db2.gz XNQAWFCFEKKWGG-NFBKMPQASA-N 1 3 393.531 3.658 20 0 GHADHO O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134893072 883094484 /nfs/dbraw/zinc/09/44/84/883094484.db2.gz XNQAWFCFEKKWGG-NFBKMPQASA-N 1 3 393.531 3.658 20 0 GHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000477223803 877237328 /nfs/dbraw/zinc/23/73/28/877237328.db2.gz RMZUFJNFOMZIGH-HXUWFJFHSA-N 1 3 388.600 3.660 20 0 GHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000477223803 877237350 /nfs/dbraw/zinc/23/73/50/877237350.db2.gz RMZUFJNFOMZIGH-HXUWFJFHSA-N 1 3 388.600 3.660 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000642619081 912220567 /nfs/dbraw/zinc/22/05/67/912220567.db2.gz DHABKYBBPWZCQM-FCHUYYIVSA-N 1 3 382.552 3.672 20 0 GHADHO CCOc1ccccc1NC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000137766445 877608599 /nfs/dbraw/zinc/60/85/99/877608599.db2.gz MKSAYANCGKBMAX-NRFANRHFSA-N 1 3 395.547 3.868 20 0 GHADHO CCOc1ccccc1NC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000137766445 877608602 /nfs/dbraw/zinc/60/86/02/877608602.db2.gz MKSAYANCGKBMAX-NRFANRHFSA-N 1 3 395.547 3.868 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176010312 878034418 /nfs/dbraw/zinc/03/44/18/878034418.db2.gz DVWPFBILJNCDSH-HXUWFJFHSA-N 1 3 398.595 3.699 20 0 GHADHO C[N@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCCN(C[C@H](O)C2CCCCC2)CC1 ZINC000530548093 878035511 /nfs/dbraw/zinc/03/55/11/878035511.db2.gz JUSHMTFVIQEJCL-VJBWXMMDSA-N 1 3 380.617 3.655 20 0 GHADHO C[N@@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCCN(C[C@H](O)C2CCCCC2)CC1 ZINC000530548093 878035545 /nfs/dbraw/zinc/03/55/45/878035545.db2.gz JUSHMTFVIQEJCL-VJBWXMMDSA-N 1 3 380.617 3.655 20 0 GHADHO CN(C[C@H](O)C1CCCCC1)[C@@H]1CCC[N@H+](C[C@H](O)C2CCCCC2)CC1 ZINC000530548093 878035562 /nfs/dbraw/zinc/03/55/62/878035562.db2.gz JUSHMTFVIQEJCL-VJBWXMMDSA-N 1 3 380.617 3.655 20 0 GHADHO CN(C[C@H](O)C1CCCCC1)[C@@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)CC1 ZINC000530548093 878035583 /nfs/dbraw/zinc/03/55/83/878035583.db2.gz JUSHMTFVIQEJCL-VJBWXMMDSA-N 1 3 380.617 3.655 20 0 GHADHO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000477725227 878077750 /nfs/dbraw/zinc/07/77/50/878077750.db2.gz YOUHWVQDVNBOIT-GSPCLOLRSA-N 1 3 378.564 3.822 20 0 GHADHO O=C(NCCCN1CCc2ccccc2C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177356798 878663381 /nfs/dbraw/zinc/66/33/81/878663381.db2.gz FKOFFGCHIMRVFP-UHFFFAOYSA-N 1 3 398.595 3.531 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccccc1OC(F)F ZINC000530949545 878824194 /nfs/dbraw/zinc/82/41/94/878824194.db2.gz HLYGGHPYIVPIHJ-UHFFFAOYSA-N 1 3 395.538 3.916 20 0 GHADHO O[C@@H](CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120228 878827723 /nfs/dbraw/zinc/82/77/23/878827723.db2.gz HPNZUPPSKQQAMO-UGKGYDQZSA-N 1 3 386.486 3.890 20 0 GHADHO O[C@@H](CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120228 878827731 /nfs/dbraw/zinc/82/77/31/878827731.db2.gz HPNZUPPSKQQAMO-UGKGYDQZSA-N 1 3 386.486 3.890 20 0 GHADHO O[C@@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120228 878827742 /nfs/dbraw/zinc/82/77/42/878827742.db2.gz HPNZUPPSKQQAMO-UGKGYDQZSA-N 1 3 386.486 3.890 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285737403 912413320 /nfs/dbraw/zinc/41/33/20/912413320.db2.gz RAKTWQQHNFRJJO-KRWDZBQOSA-N 1 3 379.504 3.854 20 0 GHADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000178770616 879221581 /nfs/dbraw/zinc/22/15/81/879221581.db2.gz RVHANBULBRVODD-GOSISDBHSA-N 1 3 390.591 3.881 20 0 GHADHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000643078692 912449774 /nfs/dbraw/zinc/44/97/74/912449774.db2.gz ASZCOUFPGSGIME-KRWDZBQOSA-N 1 3 383.467 3.897 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000531316890 879596237 /nfs/dbraw/zinc/59/62/37/879596237.db2.gz GIPUOIXZNYZIMQ-WOJBJXKFSA-N 1 3 388.943 3.545 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@H]1C ZINC000531378318 879691529 /nfs/dbraw/zinc/69/15/29/879691529.db2.gz BFCKNAXZCMUBCE-AABGKKOBSA-N 1 3 379.548 3.960 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@H]1C ZINC000531378318 879691539 /nfs/dbraw/zinc/69/15/39/879691539.db2.gz BFCKNAXZCMUBCE-AABGKKOBSA-N 1 3 379.548 3.960 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349678 879978422 /nfs/dbraw/zinc/97/84/22/879978422.db2.gz OXNRBAOTQFWGBM-MNPDLOSFSA-N 1 3 396.575 3.876 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349678 879978428 /nfs/dbraw/zinc/97/84/28/879978428.db2.gz OXNRBAOTQFWGBM-MNPDLOSFSA-N 1 3 396.575 3.876 20 0 GHADHO CCOC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000790749344 879979693 /nfs/dbraw/zinc/97/96/93/879979693.db2.gz ZAHFLPLFLXPKCM-VXGVFTFCSA-N 1 3 399.579 3.934 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000542476564 880280722 /nfs/dbraw/zinc/28/07/22/880280722.db2.gz FVYAHLLURHHFMH-NRFANRHFSA-N 1 3 381.520 3.970 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc(-c2ccccc2)nn1C ZINC000453060981 880415351 /nfs/dbraw/zinc/41/53/51/880415351.db2.gz KMPVXNMMMRAEJI-SFHVURJKSA-N 1 3 378.520 3.878 20 0 GHADHO c1cnn(-c2ncccc2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453083208 880439516 /nfs/dbraw/zinc/43/95/16/880439516.db2.gz MYXUYDPNUUGZPH-VJBWXMMDSA-N 1 3 387.531 3.800 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119418 912576315 /nfs/dbraw/zinc/57/63/15/912576315.db2.gz NZZMMDOURXYXLF-ABSDTBQOSA-N 1 3 379.504 3.579 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119418 912576330 /nfs/dbraw/zinc/57/63/30/912576330.db2.gz NZZMMDOURXYXLF-ABSDTBQOSA-N 1 3 379.504 3.579 20 0 GHADHO CCSc1cccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000185543672 880613823 /nfs/dbraw/zinc/61/38/23/880613823.db2.gz POIULVUHVPFAIE-UHFFFAOYSA-N 1 3 397.588 3.914 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453295284 880743475 /nfs/dbraw/zinc/74/34/75/880743475.db2.gz YEGMFYWLATZUER-CTNGQTDRSA-N 1 3 385.596 3.696 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000531948406 880806555 /nfs/dbraw/zinc/80/65/55/880806555.db2.gz YEHPXNCPAFWKRF-IFMALSPDSA-N 1 3 377.617 3.654 20 0 GHADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)sc1Br ZINC000531953912 880814694 /nfs/dbraw/zinc/81/46/94/880814694.db2.gz IOQYCZLGDJDDIC-OKILXGFUSA-N 1 3 375.376 3.798 20 0 GHADHO CN(C)C(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000499150322 881304875 /nfs/dbraw/zinc/30/48/75/881304875.db2.gz WGHXJNFFBKRAIR-JLLPCOHGSA-N 1 3 391.559 3.991 20 0 GHADHO O=C(c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1)N1CCCCC1 ZINC000134937417 883121836 /nfs/dbraw/zinc/12/18/36/883121836.db2.gz HAOALKICNODXCQ-GGAORHGYSA-N 1 3 381.564 3.761 20 0 GHADHO O=C(c1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1)N1CCCCC1 ZINC000134937417 883121845 /nfs/dbraw/zinc/12/18/45/883121845.db2.gz HAOALKICNODXCQ-GGAORHGYSA-N 1 3 381.564 3.761 20 0 GHADHO COc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)c(C)c1OC ZINC000286336782 912698952 /nfs/dbraw/zinc/69/89/52/912698952.db2.gz YBYZSAWYEWDNMF-SFHVURJKSA-N 1 3 398.547 3.820 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000476991013 883526821 /nfs/dbraw/zinc/52/68/21/883526821.db2.gz YCWKJSZKIXTCNS-ICSRJNTNSA-N 1 3 378.532 3.542 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000476991013 883526830 /nfs/dbraw/zinc/52/68/30/883526830.db2.gz YCWKJSZKIXTCNS-ICSRJNTNSA-N 1 3 378.532 3.542 20 0 GHADHO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000476993460 883531897 /nfs/dbraw/zinc/53/18/97/883531897.db2.gz VJWFPNRUXOSMFM-CVDCTZTESA-N 1 3 394.563 3.773 20 0 GHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000195729662 883605972 /nfs/dbraw/zinc/60/59/72/883605972.db2.gz OZPSXJCUBDVMSN-HSZRJFAPSA-N 1 3 398.595 3.777 20 0 GHADHO Cc1ccc([C@H](N[C@@H]2CC23CC[NH2+]CC3)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000643535964 912730879 /nfs/dbraw/zinc/73/08/79/912730879.db2.gz QFILNNHQDQFTCH-FGZHOGPDSA-N 1 3 398.572 3.528 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000194062466 883655570 /nfs/dbraw/zinc/65/55/70/883655570.db2.gz YBHJAJGIXVAOAN-CQSZACIVSA-N 1 3 394.357 3.630 20 0 GHADHO Cc1ccccc1SC[C@H](C)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000859207431 883661417 /nfs/dbraw/zinc/66/14/17/883661417.db2.gz YGZBDDWTZHGYLG-VMSMKEMKSA-N 1 3 387.637 3.966 20 0 GHADHO Cc1ccccc1SC[C@H](C)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000859207431 883661426 /nfs/dbraw/zinc/66/14/26/883661426.db2.gz YGZBDDWTZHGYLG-VMSMKEMKSA-N 1 3 387.637 3.966 20 0 GHADHO Cc1ccc(Cl)c(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211911588 883818629 /nfs/dbraw/zinc/81/86/29/883818629.db2.gz RNYFKISNBOUTSW-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1ccc(Cl)c(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211911588 883818642 /nfs/dbraw/zinc/81/86/42/883818642.db2.gz RNYFKISNBOUTSW-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455859108 884022381 /nfs/dbraw/zinc/02/23/81/884022381.db2.gz POBFUPPJGNGFRA-NLSFWIRASA-N 1 3 392.547 3.878 20 0 GHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233493 884184539 /nfs/dbraw/zinc/18/45/39/884184539.db2.gz PWVPDALHJXLQHF-BHDDXSALSA-N 1 3 386.580 3.708 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000498608732 885043884 /nfs/dbraw/zinc/04/38/84/885043884.db2.gz ZNJBADZVNGOCIX-XXBNENTESA-N 1 3 398.595 3.746 20 0 GHADHO Cc1cc(F)c(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc1F ZINC001211915399 885067780 /nfs/dbraw/zinc/06/77/80/885067780.db2.gz IWKVRCJFZDASOB-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(F)c(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc1F ZINC001211915399 885067793 /nfs/dbraw/zinc/06/77/93/885067793.db2.gz IWKVRCJFZDASOB-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1c(F)ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1F ZINC001211916210 885253253 /nfs/dbraw/zinc/25/32/53/885253253.db2.gz PEWOCLXPAOPGNG-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1c(F)ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1F ZINC001211916210 885253270 /nfs/dbraw/zinc/25/32/70/885253270.db2.gz PEWOCLXPAOPGNG-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO c1cc2c(cccc2-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)o1 ZINC001211916386 885347716 /nfs/dbraw/zinc/34/77/16/885347716.db2.gz QKYPJMSYAKCKEE-LJQANCHMSA-N 1 3 386.455 3.672 20 0 GHADHO c1cc2c(cccc2-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)o1 ZINC001211916386 885347732 /nfs/dbraw/zinc/34/77/32/885347732.db2.gz QKYPJMSYAKCKEE-LJQANCHMSA-N 1 3 386.455 3.672 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000532507320 885843955 /nfs/dbraw/zinc/84/39/55/885843955.db2.gz ZUKBSDKCKWQEEQ-CLYVBNDRSA-N 1 3 386.561 3.749 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862229995 886227775 /nfs/dbraw/zinc/22/77/75/886227775.db2.gz VNHBCPGQAFXJTR-KRWDZBQOSA-N 1 3 389.531 3.683 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862229995 886227793 /nfs/dbraw/zinc/22/77/93/886227793.db2.gz VNHBCPGQAFXJTR-KRWDZBQOSA-N 1 3 389.531 3.683 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)C1(N(C)C)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000763028149 887572172 /nfs/dbraw/zinc/57/21/72/887572172.db2.gz GDJUUFFQPNCBPQ-QGZVFWFLSA-N 1 3 385.474 3.689 20 0 GHADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000763054283 887602012 /nfs/dbraw/zinc/60/20/12/887602012.db2.gz WKZVKIFWEVBSLX-FUHWJXTLSA-N 1 3 397.485 3.689 20 0 GHADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000763054283 887602017 /nfs/dbraw/zinc/60/20/17/887602017.db2.gz WKZVKIFWEVBSLX-FUHWJXTLSA-N 1 3 397.485 3.689 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc(F)c4ccccc34)CC2)CC1 ZINC000865064538 888167450 /nfs/dbraw/zinc/16/74/50/888167450.db2.gz VWKROPIQOWKZIY-UHFFFAOYSA-N 1 3 397.538 3.586 20 0 GHADHO CSC1(CNCc2c(C)nn(-c3ccccc3)c2Cl)CC[NH+](C)CC1 ZINC000810170043 888228858 /nfs/dbraw/zinc/22/88/58/888228858.db2.gz FNXSBTQILXQMBG-UHFFFAOYSA-N 1 3 378.973 3.751 20 0 GHADHO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245663239 889185258 /nfs/dbraw/zinc/18/52/58/889185258.db2.gz GFEJMHZZFPTXJY-ISHFTEKXSA-N 1 3 396.531 3.522 20 0 GHADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000812855499 891049650 /nfs/dbraw/zinc/04/96/50/891049650.db2.gz FSCOZPUVUPQROH-OAQYLSRUSA-N 1 3 379.520 3.558 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872034317 891127459 /nfs/dbraw/zinc/12/74/59/891127459.db2.gz GOLMDZIKQRSUEQ-SFHVURJKSA-N 1 3 375.582 3.534 20 0 GHADHO C[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000533696643 891200209 /nfs/dbraw/zinc/20/02/09/891200209.db2.gz FYYVLOIPORLFDM-GBXCKJPGSA-N 1 3 397.607 3.520 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000497430862 891564906 /nfs/dbraw/zinc/56/49/06/891564906.db2.gz BMBUESLAEIQHIF-JBACZVJFSA-N 1 3 398.551 3.673 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000497430862 891564915 /nfs/dbraw/zinc/56/49/15/891564915.db2.gz BMBUESLAEIQHIF-JBACZVJFSA-N 1 3 398.551 3.673 20 0 GHADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCc2sccc2C1 ZINC000508708981 892803557 /nfs/dbraw/zinc/80/35/57/892803557.db2.gz FNOOQEJRYUFPGF-IRFCIJBXSA-N 1 3 383.605 3.995 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645154168 913712625 /nfs/dbraw/zinc/71/26/25/913712625.db2.gz VFXAKKXPCNFYTR-UGKGYDQZSA-N 1 3 386.584 3.687 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645154168 913712635 /nfs/dbraw/zinc/71/26/35/913712635.db2.gz VFXAKKXPCNFYTR-UGKGYDQZSA-N 1 3 386.584 3.687 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000533891573 893416515 /nfs/dbraw/zinc/41/65/15/893416515.db2.gz DAYCCDJPKJMWDF-PKTZIBPZSA-N 1 3 394.563 3.773 20 0 GHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000536696854 893565545 /nfs/dbraw/zinc/56/55/45/893565545.db2.gz PJXSAUXKCSZJBC-IBGZPJMESA-N 1 3 376.932 3.663 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc(Cl)n1 ZINC000877450388 893614372 /nfs/dbraw/zinc/61/43/72/893614372.db2.gz GKNZUJCTQGLZQC-ZYSHUDEJSA-N 1 3 392.975 3.580 20 0 GHADHO ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000877551553 893683072 /nfs/dbraw/zinc/68/30/72/893683072.db2.gz FUSDWSDFWJMRBK-MSOLQXFVSA-N 1 3 383.363 3.699 20 0 GHADHO ClC1(Cl)C[C@@H]1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551553 893683079 /nfs/dbraw/zinc/68/30/79/893683079.db2.gz FUSDWSDFWJMRBK-MSOLQXFVSA-N 1 3 383.363 3.699 20 0 GHADHO ClC1(Cl)C[C@@H]1CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551553 893683088 /nfs/dbraw/zinc/68/30/88/893683088.db2.gz FUSDWSDFWJMRBK-MSOLQXFVSA-N 1 3 383.363 3.699 20 0 GHADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)C[N@@H+]2C1 ZINC001135296053 894331707 /nfs/dbraw/zinc/33/17/07/894331707.db2.gz LFNCNQDLXYFASS-UAFMIMERSA-N 1 3 389.609 3.758 20 0 GHADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)C[N@H+]2C1 ZINC001135296053 894331720 /nfs/dbraw/zinc/33/17/20/894331720.db2.gz LFNCNQDLXYFASS-UAFMIMERSA-N 1 3 389.609 3.758 20 0 GHADHO CN1CC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@@H]1c1ccccc1 ZINC000455850933 894678941 /nfs/dbraw/zinc/67/89/41/894678941.db2.gz KWKJWYMPILQSSG-BDTNDASRSA-N 1 3 378.520 3.802 20 0 GHADHO COC(=O)c1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)o1 ZINC000564771079 895236982 /nfs/dbraw/zinc/23/69/82/895236982.db2.gz QXRSFRONDHYTFN-UHFFFAOYSA-N 1 3 382.504 3.863 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000565029656 895355710 /nfs/dbraw/zinc/35/57/10/895355710.db2.gz BMUNJZDTBLNLHC-XMMPIXPASA-N 1 3 391.559 3.796 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@H]3CC4CCC3CC4)CC2)CC1 ZINC000566463519 896326304 /nfs/dbraw/zinc/32/63/04/896326304.db2.gz GAEIQFXQIXHIQR-OGALPTFVSA-N 1 3 375.601 3.514 20 0 GHADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000819015807 896349553 /nfs/dbraw/zinc/34/95/53/896349553.db2.gz PXUXYRHDFCDSPK-LAUBAEHRSA-N 1 3 376.903 3.667 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819282961 896525377 /nfs/dbraw/zinc/52/53/77/896525377.db2.gz DWFQSKHDYZFWHN-UPVQGACJSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819282961 896525390 /nfs/dbraw/zinc/52/53/90/896525390.db2.gz DWFQSKHDYZFWHN-UPVQGACJSA-N 1 3 382.548 3.545 20 0 GHADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)C1 ZINC000567521314 897221511 /nfs/dbraw/zinc/22/15/11/897221511.db2.gz ZDOCTKZJNZRDEH-PZJWPPBQSA-N 1 3 381.520 3.844 20 0 GHADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)C1 ZINC000567521312 897221853 /nfs/dbraw/zinc/22/18/53/897221853.db2.gz ZDOCTKZJNZRDEH-CTNGQTDRSA-N 1 3 381.520 3.844 20 0 GHADHO C[C@H](N[C@H](Cn1ccnc1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000883386394 897549154 /nfs/dbraw/zinc/54/91/54/897549154.db2.gz FLQJLGKLBPLXDF-WMZHIEFXSA-N 1 3 378.520 3.916 20 0 GHADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000569211947 898432841 /nfs/dbraw/zinc/43/28/41/898432841.db2.gz ALKZAFKOCIBPMT-LADGPHEKSA-N 1 3 396.579 3.575 20 0 GHADHO Cc1ccccc1[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000112205536 898857060 /nfs/dbraw/zinc/85/70/60/898857060.db2.gz ZUUGZEAVPQFGRE-QFIPXVFZSA-N 1 3 386.584 3.550 20 0 GHADHO FC(F)(F)Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000570041828 899086945 /nfs/dbraw/zinc/08/69/45/899086945.db2.gz BLTFDDFNXDTSRV-ZCNNSNEGSA-N 1 3 392.469 3.978 20 0 GHADHO C[C@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000824314201 899519607 /nfs/dbraw/zinc/51/96/07/899519607.db2.gz HQYHWJQEWZRTML-QZTJIDSGSA-N 1 3 375.557 3.585 20 0 GHADHO C[NH+]1CCC2(CCCN(Cc3c[nH]c(C(=O)OCc4ccccc4)c3)C2)CC1 ZINC000824332372 899534058 /nfs/dbraw/zinc/53/40/58/899534058.db2.gz JJDKIAALSVPMLX-UHFFFAOYSA-N 1 3 381.520 3.680 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000572426050 900181281 /nfs/dbraw/zinc/18/12/81/900181281.db2.gz QKHWWVDTYZEDOM-FXAWDEMLSA-N 1 3 394.991 3.754 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000572426050 900181289 /nfs/dbraw/zinc/18/12/89/900181289.db2.gz QKHWWVDTYZEDOM-FXAWDEMLSA-N 1 3 394.991 3.754 20 0 GHADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329390 900703167 /nfs/dbraw/zinc/70/31/67/900703167.db2.gz NHOVUYGUKRNSKW-QRWLVFNGSA-N 1 3 380.504 3.822 20 0 GHADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329390 900703175 /nfs/dbraw/zinc/70/31/75/900703175.db2.gz NHOVUYGUKRNSKW-QRWLVFNGSA-N 1 3 380.504 3.822 20 0 GHADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)COC(c1ccccc1)c1ccccc1 ZINC000574686260 900971358 /nfs/dbraw/zinc/97/13/58/900971358.db2.gz LREYXSKCSBSILJ-KXTRFFEISA-N 1 3 394.559 3.760 20 0 GHADHO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c1 ZINC000886532224 901135918 /nfs/dbraw/zinc/13/59/18/901135918.db2.gz GFTUJZRKODPPNN-QTJGBDASSA-N 1 3 391.559 3.574 20 0 GHADHO CC1CCN([C@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)c2cccs2)CC1 ZINC000575732258 901263002 /nfs/dbraw/zinc/26/30/02/901263002.db2.gz VTTSRAWZULEUKS-HXUWFJFHSA-N 1 3 398.576 3.989 20 0 GHADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc4cc([C@H]5CNCCO5)cn43)c2c1 ZINC001171170167 901948567 /nfs/dbraw/zinc/94/85/67/901948567.db2.gz UOSYVQRYNIBCOF-GAJHUEQPSA-N 1 3 388.515 3.742 20 0 GHADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460240 902230952 /nfs/dbraw/zinc/23/09/52/902230952.db2.gz CPEQHDDLFSVWKK-RTWAWAEBSA-N 1 3 389.971 3.781 20 0 GHADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460240 902230963 /nfs/dbraw/zinc/23/09/63/902230963.db2.gz CPEQHDDLFSVWKK-RTWAWAEBSA-N 1 3 389.971 3.781 20 0 GHADHO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000133185150 903353918 /nfs/dbraw/zinc/35/39/18/903353918.db2.gz JTDNAKBREOUAQM-IFXJQAMLSA-N 1 3 384.442 3.663 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnn3[C@@H](C)CC(C)C)CC2)CC1 ZINC000577962307 903389579 /nfs/dbraw/zinc/38/95/79/903389579.db2.gz QJGXXHYWCDHKBX-SFHVURJKSA-N 1 3 389.588 3.625 20 0 GHADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000601213862 903469999 /nfs/dbraw/zinc/46/99/99/903469999.db2.gz RLFJEGIBGVQHEL-OALUTQOASA-N 1 3 392.613 3.693 20 0 GHADHO C[C@@H](NCc1ccccc1CN1CCCC1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000151411431 904126891 /nfs/dbraw/zinc/12/68/91/904126891.db2.gz FQVMKBNRFCZELL-LJQANCHMSA-N 1 3 395.547 3.600 20 0 GHADHO O[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000773140016 904476759 /nfs/dbraw/zinc/47/67/59/904476759.db2.gz PQWDZGAFPLOLIH-NRFANRHFSA-N 1 3 394.893 3.948 20 0 GHADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604871 904867199 /nfs/dbraw/zinc/86/71/99/904867199.db2.gz IDWRROXGHVXNBL-YDZRNGNQSA-N 1 3 379.589 3.684 20 0 GHADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604871 904867218 /nfs/dbraw/zinc/86/72/18/904867218.db2.gz IDWRROXGHVXNBL-YDZRNGNQSA-N 1 3 379.589 3.684 20 0 GHADHO CN1C(C)(C)CC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)CC1(C)C ZINC001171621536 904887256 /nfs/dbraw/zinc/88/72/56/904887256.db2.gz LVTCVVCJNMMPJG-WBVHZDCISA-N 1 3 385.568 3.823 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CC1(C)C ZINC001171635011 904922270 /nfs/dbraw/zinc/92/22/70/904922270.db2.gz KQDQUAIJPMDINU-DEOSSOPVSA-N 1 3 398.595 3.690 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CC1(C)C ZINC001171635011 904922283 /nfs/dbraw/zinc/92/22/83/904922283.db2.gz KQDQUAIJPMDINU-DEOSSOPVSA-N 1 3 398.595 3.690 20 0 GHADHO CC1(C)C[C@@H](N[C@H]2CCN(Cc3ccncc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171980387 905230990 /nfs/dbraw/zinc/23/09/90/905230990.db2.gz QFZQJHUTHXMFSH-GOTSBHOMSA-N 1 3 378.564 3.689 20 0 GHADHO CC1(C)C[C@@H](N[C@H]2CCN(Cc3ccncc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171980387 905231006 /nfs/dbraw/zinc/23/10/06/905231006.db2.gz QFZQJHUTHXMFSH-GOTSBHOMSA-N 1 3 378.564 3.689 20 0 GHADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172058971 905258672 /nfs/dbraw/zinc/25/86/72/905258672.db2.gz YKFHBINVFHRELM-HSALFYBXSA-N 1 3 391.600 3.972 20 0 GHADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172058971 905258681 /nfs/dbraw/zinc/25/86/81/905258681.db2.gz YKFHBINVFHRELM-HSALFYBXSA-N 1 3 391.600 3.972 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)C2 ZINC001172110759 905359659 /nfs/dbraw/zinc/35/96/59/905359659.db2.gz OUPBTFQWNCUTTL-NCYKPQTJSA-N 1 3 387.568 3.727 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)C2 ZINC001172110759 905359678 /nfs/dbraw/zinc/35/96/78/905359678.db2.gz OUPBTFQWNCUTTL-NCYKPQTJSA-N 1 3 387.568 3.727 20 0 GHADHO COCCC[NH+]1CCC(N[C@@H](CC2CCOCC2)c2ccc(F)cc2)CC1 ZINC001172248609 905445432 /nfs/dbraw/zinc/44/54/32/905445432.db2.gz CGOGVPHUWUWTKF-QFIPXVFZSA-N 1 3 378.532 3.774 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000175766372 905661826 /nfs/dbraw/zinc/66/18/26/905661826.db2.gz JHHYRGGUFVWLIG-UHFFFAOYSA-N 1 3 383.536 3.879 20 0 GHADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172846620 905900500 /nfs/dbraw/zinc/90/05/00/905900500.db2.gz WEDPKMVZBBNEJD-KRWDZBQOSA-N 1 3 389.946 3.947 20 0 GHADHO COc1cccc2c1C[C@@H]([NH2+]CC1CCN(Cc3ccccc3F)CC1)CO2 ZINC001173151527 906238890 /nfs/dbraw/zinc/23/88/90/906238890.db2.gz VCVGSPIXOROZEK-LJQANCHMSA-N 1 3 384.495 3.640 20 0 GHADHO COc1cccc2c1C[C@H](N1CCC3(CC[N@H+](Cc4ccoc4)C3)CC1)CO2 ZINC001173163662 906248142 /nfs/dbraw/zinc/24/81/42/906248142.db2.gz RMVUPNHKBONQFJ-IBGZPJMESA-N 1 3 382.504 3.580 20 0 GHADHO COc1cccc2c1C[C@H](N1CCC3(CC[N@@H+](Cc4ccoc4)C3)CC1)CO2 ZINC001173163662 906248159 /nfs/dbraw/zinc/24/81/59/906248159.db2.gz RMVUPNHKBONQFJ-IBGZPJMESA-N 1 3 382.504 3.580 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001173630275 906580952 /nfs/dbraw/zinc/58/09/52/906580952.db2.gz GOOVEMXMRYRBTH-QUCCMNQESA-N 1 3 376.516 3.749 20 0 GHADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)Cc1ccc(Cl)cc1 ZINC000179883239 906623998 /nfs/dbraw/zinc/62/39/98/906623998.db2.gz DVDIJPZAHQTKDM-QGZVFWFLSA-N 1 3 391.987 3.584 20 0 GHADHO Brc1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000180124031 906693871 /nfs/dbraw/zinc/69/38/71/906693871.db2.gz WFCNRAMFHGNZES-IFXJQAMLSA-N 1 3 379.342 3.527 20 0 GHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(Cl)c1 ZINC000180996062 906892654 /nfs/dbraw/zinc/89/26/54/906892654.db2.gz IDTMWCXAQHSVNS-AWEZNQCLSA-N 1 3 377.891 3.621 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844818 907251165 /nfs/dbraw/zinc/25/11/65/907251165.db2.gz HDLUCMUFYMUYKQ-GHTZIAJQSA-N 1 3 389.584 3.969 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844818 907251178 /nfs/dbraw/zinc/25/11/78/907251178.db2.gz HDLUCMUFYMUYKQ-GHTZIAJQSA-N 1 3 389.584 3.969 20 0 GHADHO CCN1CCN(c2ccc(Nc3ccc(OCCC[NH+](C)C)cc3)cc2)CC1 ZINC001175780524 907740498 /nfs/dbraw/zinc/74/04/98/907740498.db2.gz GXANCNFZOPGJBI-UHFFFAOYSA-N 1 3 382.552 3.903 20 0 GHADHO Fc1cc([C@@H]2OCC[C@H]2NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000631654802 907792104 /nfs/dbraw/zinc/79/21/04/907792104.db2.gz IHHAASZWARTQAU-DBVUQKKJSA-N 1 3 382.907 3.542 20 0 GHADHO COC(=O)CC[C@H]1CCCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001175870373 907808515 /nfs/dbraw/zinc/80/85/15/907808515.db2.gz GAYOFKPRPQIVRX-HSZRJFAPSA-N 1 3 386.580 3.996 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC001177266126 908506796 /nfs/dbraw/zinc/50/67/96/908506796.db2.gz AYPMUTTZPWQHOJ-JRGCBEDISA-N 1 3 376.516 3.784 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC001177266126 908506808 /nfs/dbraw/zinc/50/68/08/908506808.db2.gz AYPMUTTZPWQHOJ-JRGCBEDISA-N 1 3 376.516 3.784 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(c3nc4ccccc4s3)CC2)CC1 ZINC000191419903 908623435 /nfs/dbraw/zinc/62/34/35/908623435.db2.gz YXDDACQZFMFUFH-UHFFFAOYSA-N 1 3 386.609 3.892 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)Oc2cccc(OC)c2)CC1 ZINC001177929677 908821130 /nfs/dbraw/zinc/82/11/30/908821130.db2.gz ZYDIEMYVKSJCQR-FQEVSTJZSA-N 1 3 397.563 3.784 20 0 GHADHO COc1cc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc(OC)c1OC ZINC000268756565 909999985 /nfs/dbraw/zinc/99/99/85/909999985.db2.gz FHWZUCLXKXSZLN-MRXNPFEDSA-N 1 3 388.508 3.504 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000269597356 910314042 /nfs/dbraw/zinc/31/40/42/910314042.db2.gz FPNGKAASLKLQBD-IBGZPJMESA-N 1 3 394.563 3.879 20 0 GHADHO O=C1OCCN1c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000774132750 911434111 /nfs/dbraw/zinc/43/41/11/911434111.db2.gz BAFHDEAKJWKYDJ-UADZTWIMSA-N 1 3 391.515 3.928 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000641882832 911567074 /nfs/dbraw/zinc/56/70/74/911567074.db2.gz WQICJBMUPUVAOJ-QHCPKHFHSA-N 1 3 394.563 3.693 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774457692 911764913 /nfs/dbraw/zinc/76/49/13/911764913.db2.gz KAUADXUAVXKQNV-IGNZVWTISA-N 1 3 386.367 3.994 20 0 GHADHO C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000248552624 912208101 /nfs/dbraw/zinc/20/81/01/912208101.db2.gz JCRUMKZHCZMBFU-DYESRHJHSA-N 1 3 376.903 3.966 20 0 GHADHO C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000248552624 912208113 /nfs/dbraw/zinc/20/81/13/912208113.db2.gz JCRUMKZHCZMBFU-DYESRHJHSA-N 1 3 376.903 3.966 20 0 GHADHO C[C@H]1[C@H](CC(=O)N[C@H]2CCCN(C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949395 914914236 /nfs/dbraw/zinc/91/42/36/914914236.db2.gz SSLHJWYRFZVDDT-PMOQBDJRSA-N 1 3 391.559 3.697 20 0 GHADHO C[C@H]1[C@H](CC(=O)N[C@H]2CCCN(C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949395 914914246 /nfs/dbraw/zinc/91/42/46/914914246.db2.gz SSLHJWYRFZVDDT-PMOQBDJRSA-N 1 3 391.559 3.697 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCC(OC(F)F)CC2)CC1 ZINC000648817390 915891513 /nfs/dbraw/zinc/89/15/13/915891513.db2.gz QMSGPWZIIIYTGX-UHFFFAOYSA-N 1 3 381.511 3.859 20 0 GHADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)cc21 ZINC000649753498 916380690 /nfs/dbraw/zinc/38/06/90/916380690.db2.gz MGAVBLLUMOWSEQ-IRXDYDNUSA-N 1 3 397.441 3.889 20 0 GHADHO O=C([C@H]1CCC[NH2+]CC1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000653149157 918142264 /nfs/dbraw/zinc/14/22/64/918142264.db2.gz YQHQCYISDFMWFA-KRWDZBQOSA-N 1 3 398.378 3.808 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000654367173 919068926 /nfs/dbraw/zinc/06/89/26/919068926.db2.gz LTDLHTMYTUEFOG-UHFFFAOYSA-N 1 3 383.458 3.840 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902394148 922157616 /nfs/dbraw/zinc/15/76/16/922157616.db2.gz WYXSYLSHGQINQM-RBUKOAKNSA-N 1 3 375.463 3.501 20 0 GHADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@H](CCc2cccnc2)c2ccccc2)CC1 ZINC000902880572 922576611 /nfs/dbraw/zinc/57/66/11/922576611.db2.gz JVHBPTLEAWOXHP-WXFUMESZSA-N 1 3 379.548 3.723 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000903760960 923265334 /nfs/dbraw/zinc/26/53/34/923265334.db2.gz LWGKKQPLHLELRE-OFNKIYASSA-N 1 3 399.510 3.615 20 0 GHADHO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)s2)cc1 ZINC000370702730 924265518 /nfs/dbraw/zinc/26/55/18/924265518.db2.gz RBJUFMWJALVZAV-GHTZIAJQSA-N 1 3 384.593 3.576 20 0 GHADHO Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)s2)cc1 ZINC000370702730 924265520 /nfs/dbraw/zinc/26/55/20/924265520.db2.gz RBJUFMWJALVZAV-GHTZIAJQSA-N 1 3 384.593 3.576 20 0 GHADHO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)s2)cc1 ZINC000370702732 924265594 /nfs/dbraw/zinc/26/55/94/924265594.db2.gz RBJUFMWJALVZAV-RXVVDRJESA-N 1 3 384.593 3.576 20 0 GHADHO Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)s2)cc1 ZINC000370702732 924265602 /nfs/dbraw/zinc/26/56/02/924265602.db2.gz RBJUFMWJALVZAV-RXVVDRJESA-N 1 3 384.593 3.576 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000680271015 925417221 /nfs/dbraw/zinc/41/72/21/925417221.db2.gz UFNRTEUGHCGKDM-WXFUMESZSA-N 1 3 391.559 3.779 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000680271015 925417227 /nfs/dbraw/zinc/41/72/27/925417227.db2.gz UFNRTEUGHCGKDM-WXFUMESZSA-N 1 3 391.559 3.779 20 0 GHADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000680508367 925499856 /nfs/dbraw/zinc/49/98/56/925499856.db2.gz HZNNBFPWYOHTNT-UGKGYDQZSA-N 1 3 386.584 3.585 20 0 GHADHO O=C1[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CCCN1C1CCCCC1 ZINC000682373589 926091104 /nfs/dbraw/zinc/09/11/04/926091104.db2.gz DWTUALMOUIYUEW-HSZRJFAPSA-N 1 3 399.579 3.575 20 0 GHADHO O=C(C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1)N1CCCCC1 ZINC000411158796 926152339 /nfs/dbraw/zinc/15/23/39/926152339.db2.gz TYJYJLXBTSIEKH-UHFFFAOYSA-N 1 3 383.580 3.897 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000411455434 926408455 /nfs/dbraw/zinc/40/84/55/926408455.db2.gz LRFUMRMKSJTFGV-QHCPKHFHSA-N 1 3 379.548 3.551 20 0 GHADHO CN1C[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000412226530 927228161 /nfs/dbraw/zinc/22/81/61/927228161.db2.gz YBXONSVCCHRHMA-PKTZIBPZSA-N 1 3 377.532 3.500 20 0 GHADHO CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)cc2)CC1 ZINC000412542936 927556851 /nfs/dbraw/zinc/55/68/51/927556851.db2.gz AZKVBAQJLSJGMF-UHFFFAOYSA-N 1 3 398.526 3.670 20 0 GHADHO C[C@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)N(C)Cc1ccccc1 ZINC000751092927 928024912 /nfs/dbraw/zinc/02/49/12/928024912.db2.gz FRULITJGRHITAA-JSRJAPPDSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000467685258 929301182 /nfs/dbraw/zinc/30/11/82/929301182.db2.gz GIKKUUMJDBMJJS-GBXCKJPGSA-N 1 3 391.559 3.678 20 0 GHADHO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000753534855 929394675 /nfs/dbraw/zinc/39/46/75/929394675.db2.gz GDAUUELMIDRGMA-XLIONFOSSA-N 1 3 399.539 3.843 20 0 GHADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000470122194 930389664 /nfs/dbraw/zinc/38/96/64/930389664.db2.gz SHROVVISWMLRTE-SFHVURJKSA-N 1 3 381.520 3.721 20 0 GHADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000470122194 930389669 /nfs/dbraw/zinc/38/96/69/930389669.db2.gz SHROVVISWMLRTE-SFHVURJKSA-N 1 3 381.520 3.721 20 0 GHADHO CN1CC[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000759534229 930395409 /nfs/dbraw/zinc/39/54/09/930395409.db2.gz JPKQKDXLYKBYJZ-UJKMTWAASA-N 1 3 384.568 3.528 20 0 GHADHO C[C@](O)(CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000781422883 930838559 /nfs/dbraw/zinc/83/85/59/930838559.db2.gz QDMAWCSGVDWEFU-CDIGIKMISA-N 1 3 382.523 3.924 20 0 GHADHO C[C@](O)(CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000781422883 930838571 /nfs/dbraw/zinc/83/85/71/930838571.db2.gz QDMAWCSGVDWEFU-CDIGIKMISA-N 1 3 382.523 3.924 20 0 GHADHO C[C@@H]1CN(Cc2cccc(CN3C[C@H](C)O[C@@H](C4CC4)C3)c2)C[C@@H](C2CC2)O1 ZINC000470922783 931035309 /nfs/dbraw/zinc/03/53/09/931035309.db2.gz GSCMPNQJUJLJJF-ZJYDQZTPSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1CN(Cc2cccc(C[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)c2)C[C@@H](C2CC2)O1 ZINC000470922783 931035317 /nfs/dbraw/zinc/03/53/17/931035317.db2.gz GSCMPNQJUJLJJF-ZJYDQZTPSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1CN(Cc2cccc(C[N@H+]3C[C@H](C)O[C@@H](C4CC4)C3)c2)C[C@@H](C2CC2)O1 ZINC000470922783 931035326 /nfs/dbraw/zinc/03/53/26/931035326.db2.gz GSCMPNQJUJLJJF-ZJYDQZTPSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2cccc(CN3C[C@H](C)O[C@@H](C4CC4)C3)c2)C[C@@H](C2CC2)O1 ZINC000470922783 931035343 /nfs/dbraw/zinc/03/53/43/931035343.db2.gz GSCMPNQJUJLJJF-ZJYDQZTPSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1C[N@H+](Cc2cccc(CN3C[C@H](C)O[C@@H](C4CC4)C3)c2)C[C@@H](C2CC2)O1 ZINC000470922783 931035350 /nfs/dbraw/zinc/03/53/50/931035350.db2.gz GSCMPNQJUJLJJF-ZJYDQZTPSA-N 1 3 384.564 3.685 20 0 GHADHO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1OCCO ZINC000547505567 931079989 /nfs/dbraw/zinc/07/99/89/931079989.db2.gz ZLHTXPQRBZNKRT-NNMXDRDESA-N 1 3 398.547 3.628 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(-c4cnc(C)o4)cc3)CC2)CC1 ZINC000557489353 931466727 /nfs/dbraw/zinc/46/67/27/931466727.db2.gz JDZZVXFPFVYKTC-UHFFFAOYSA-N 1 3 396.535 3.785 20 0 GHADHO C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc(C[NH+](C)C)c1 ZINC000924678925 931471994 /nfs/dbraw/zinc/47/19/94/931471994.db2.gz VRLGWEPTYQLRLK-OTWHNJEPSA-N 1 3 382.552 3.608 20 0 GHADHO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000784318857 931854200 /nfs/dbraw/zinc/85/42/00/931854200.db2.gz ANPRFRMSNCNCBX-OEMFJLHTSA-N 1 3 380.532 3.683 20 0 GHADHO O=C1O[C@@H](CN[C@@H]2CCCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925850047 931922807 /nfs/dbraw/zinc/92/28/07/931922807.db2.gz GTGJUZMUNWEQQT-GDBMZVCRSA-N 1 3 380.941 3.542 20 0 GHADHO Cc1ccc(C)c([C@@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc2)c1 ZINC000925859172 931924706 /nfs/dbraw/zinc/92/47/06/931924706.db2.gz WCQJPOUDMBUGBT-IRLDBZIGSA-N 1 3 378.516 3.668 20 0 GHADHO CCN(C(=O)CN1CCCC2(CC[NH+](C)CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000799178484 932900212 /nfs/dbraw/zinc/90/02/12/932900212.db2.gz WKCSYCMIWSOBKO-SFHVURJKSA-N 1 3 375.532 3.543 20 0 GHADHO COc1ccccc1OCCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000561335044 934060979 /nfs/dbraw/zinc/06/09/79/934060979.db2.gz JTWACVIBKNGDRW-LJQANCHMSA-N 1 3 382.504 3.652 20 0 GHADHO COc1ccccc1OCC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000561335044 934060985 /nfs/dbraw/zinc/06/09/85/934060985.db2.gz JTWACVIBKNGDRW-LJQANCHMSA-N 1 3 382.504 3.652 20 0 GHADHO CN(C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCCN(C)C1 ZINC001625850238 1014227296 /nfs/dbraw/zinc/22/72/96/1014227296.db2.gz AIJWBZOHNJTXRC-IBGZPJMESA-N 1 3 390.597 3.823 20 0 GHADHO c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)c(CN2CCOCC3(CCC3)C2)c1 ZINC000545397287 1015839416 /nfs/dbraw/zinc/83/94/16/1015839416.db2.gz UCLHVASQMWZGAT-UHFFFAOYSA-N 1 3 384.564 3.692 20 0 GHADHO c1ccc(C[N@H+]2CCOCC3(CCC3)C2)c(CN2CCOCC3(CCC3)C2)c1 ZINC000545397287 1015839425 /nfs/dbraw/zinc/83/94/25/1015839425.db2.gz UCLHVASQMWZGAT-UHFFFAOYSA-N 1 3 384.564 3.692 20 0 GHADHO CN1CCC([N@@H+]2CC[C@@H](N[C@H](c3ccc(Cl)cc3)c3ccccn3)C2)CC1 ZINC000925041300 1017032455 /nfs/dbraw/zinc/03/24/55/1017032455.db2.gz MZRVOYFNOLKMBU-DENIHFKCSA-N 1 3 384.955 3.583 20 0 GHADHO CN1CCC([N@H+]2CC[C@@H](N[C@H](c3ccc(Cl)cc3)c3ccccn3)C2)CC1 ZINC000925041300 1017032469 /nfs/dbraw/zinc/03/24/69/1017032469.db2.gz MZRVOYFNOLKMBU-DENIHFKCSA-N 1 3 384.955 3.583 20 0 GHADHO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)C[C@@H]2Cc3ccccc3CN2)CC1 ZINC001221002707 1032229691 /nfs/dbraw/zinc/22/96/91/1032229691.db2.gz VPBCKVMDHHDRSA-FKBYEOEOSA-N 1 3 395.522 3.529 20 0 GHADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001227435625 1032419391 /nfs/dbraw/zinc/41/93/91/1032419391.db2.gz RUDRIAFHJVVPBQ-FGZHOGPDSA-N 1 3 388.600 3.661 20 0 GHADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001227435625 1032419392 /nfs/dbraw/zinc/41/93/92/1032419392.db2.gz RUDRIAFHJVVPBQ-FGZHOGPDSA-N 1 3 388.600 3.661 20 0 GHADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149655 1032603398 /nfs/dbraw/zinc/60/33/98/1032603398.db2.gz WVMZLTCNBWZJNJ-PMVMPFDFSA-N 1 3 393.531 3.601 20 0 GHADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149655 1032603401 /nfs/dbraw/zinc/60/34/01/1032603401.db2.gz WVMZLTCNBWZJNJ-PMVMPFDFSA-N 1 3 393.531 3.601 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cc(F)cc(F)c1)CC2 ZINC001204229202 1032674265 /nfs/dbraw/zinc/67/42/65/1032674265.db2.gz BIGBMWVHBOWRMC-IBGZPJMESA-N 1 3 376.447 3.813 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cc(F)cc(F)c1)CC2 ZINC001204229202 1032674273 /nfs/dbraw/zinc/67/42/73/1032674273.db2.gz BIGBMWVHBOWRMC-IBGZPJMESA-N 1 3 376.447 3.813 20 0 GHADHO COC(=O)[C@@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)[C@H]1c1ccccc1 ZINC001204263043 1032707379 /nfs/dbraw/zinc/70/73/79/1032707379.db2.gz FFFXOBICPZNPDW-PKTZIBPZSA-N 1 3 396.531 3.753 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001204269119 1032711134 /nfs/dbraw/zinc/71/11/34/1032711134.db2.gz UZERSUJJWJTCMP-IBGZPJMESA-N 1 3 376.541 3.571 20 0 GHADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001228120471 1032795721 /nfs/dbraw/zinc/79/57/21/1032795721.db2.gz VXWVQFQFXPUGFD-QFIPXVFZSA-N 1 3 386.584 3.559 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000579593381 1020426530 /nfs/dbraw/zinc/42/65/30/1020426530.db2.gz GDRZCJMPJNFDQU-WFXMLNOXSA-N 1 3 379.548 3.727 20 0 GHADHO O=C(OCc1ccccc1)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000192884809 1020903967 /nfs/dbraw/zinc/90/39/67/1020903967.db2.gz CEFOSRAARPJHNU-UHFFFAOYSA-N 1 3 385.552 3.784 20 0 GHADHO CO[C@@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CCOCC1 ZINC000638530527 1021046727 /nfs/dbraw/zinc/04/67/27/1021046727.db2.gz NBTFJSYZOWOSKH-NRFANRHFSA-N 1 3 380.960 3.583 20 0 GHADHO c1cn(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@@H]4CCC[C@@H]43)cn2)cn1 ZINC000834501695 1021227567 /nfs/dbraw/zinc/22/75/67/1021227567.db2.gz HPXLZQRCSMOFAF-XPWALMASSA-N 1 3 387.531 3.800 20 0 GHADHO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2cc(-n3ccnc3)ccn2)cc1 ZINC001156293417 1032963053 /nfs/dbraw/zinc/96/30/53/1032963053.db2.gz FFDZOAHJOKGUSR-NRFANRHFSA-N 1 3 391.519 3.767 20 0 GHADHO COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)c2cc(-n3ccnc3)ccn2)cc1 ZINC001156293417 1032963055 /nfs/dbraw/zinc/96/30/55/1032963055.db2.gz FFDZOAHJOKGUSR-NRFANRHFSA-N 1 3 391.519 3.767 20 0 GHADHO CN(Cc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1)C1CC1 ZINC001156318107 1032982102 /nfs/dbraw/zinc/98/21/02/1032982102.db2.gz QJJBDEWZKKHDMK-AKIFATBCSA-N 1 3 376.548 3.998 20 0 GHADHO CN(Cc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1)C1CC1 ZINC001156318107 1032982106 /nfs/dbraw/zinc/98/21/06/1032982106.db2.gz QJJBDEWZKKHDMK-AKIFATBCSA-N 1 3 376.548 3.998 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2cc3ccccc3nc2OC)CC1 ZINC001204584545 1032984788 /nfs/dbraw/zinc/98/47/88/1032984788.db2.gz GFNGTSWDPPBDCF-UHFFFAOYSA-N 1 3 385.552 3.814 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cc3ccccc3nc2OC)CC1 ZINC001204584545 1032984790 /nfs/dbraw/zinc/98/47/90/1032984790.db2.gz GFNGTSWDPPBDCF-UHFFFAOYSA-N 1 3 385.552 3.814 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccc(Cl)cc1 ZINC001140391671 1021549642 /nfs/dbraw/zinc/54/96/42/1021549642.db2.gz ULSHPAXBLGPIDB-IBGZPJMESA-N 1 3 377.960 3.715 20 0 GHADHO CN1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)[C@H]1c1ccccc1 ZINC000677583221 1021852488 /nfs/dbraw/zinc/85/24/88/1021852488.db2.gz ANKFMCCQMSZARV-XZOQPEGZSA-N 1 3 398.595 3.729 20 0 GHADHO Cn1cnc2cc(CN3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC001140509893 1021896176 /nfs/dbraw/zinc/89/61/76/1021896176.db2.gz VXRQDIWIMJFJQS-LNGMVNIQSA-N 1 3 376.548 3.968 20 0 GHADHO Cn1cnc2cc(CN3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC001140509893 1021896192 /nfs/dbraw/zinc/89/61/92/1021896192.db2.gz VXRQDIWIMJFJQS-LNGMVNIQSA-N 1 3 376.548 3.968 20 0 GHADHO c1ccc(N2CCCCC2)c(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138606141 1025094456 /nfs/dbraw/zinc/09/44/56/1025094456.db2.gz IGSYNBFNAITNSY-ZRZAMGCNSA-N 1 3 376.548 3.636 20 0 GHADHO c1ccc(N2CCCCC2)c(CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138606141 1025094458 /nfs/dbraw/zinc/09/44/58/1025094458.db2.gz IGSYNBFNAITNSY-ZRZAMGCNSA-N 1 3 376.548 3.636 20 0 GHADHO COC(=O)c1ccc([C@@H]2CCCN2Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001138773301 1025345552 /nfs/dbraw/zinc/34/55/52/1025345552.db2.gz AJMZMZGCWLGGOY-QFIPXVFZSA-N 1 3 382.504 3.751 20 0 GHADHO C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc4occc4c3)O2)CC1 ZINC001138823382 1025429292 /nfs/dbraw/zinc/42/92/92/1025429292.db2.gz WFTJANWPIJNTGL-CQOQZXRMSA-N 1 3 398.547 3.913 20 0 GHADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001141550795 1025500060 /nfs/dbraw/zinc/50/00/60/1025500060.db2.gz KUUSKXYAAMVSMV-BGWNEDDSSA-N 1 3 397.607 3.723 20 0 GHADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001141550795 1025500070 /nfs/dbraw/zinc/50/00/70/1025500070.db2.gz KUUSKXYAAMVSMV-BGWNEDDSSA-N 1 3 397.607 3.723 20 0 GHADHO CC(C)(C)[C@@H](CN1CCOCC1)Nc1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001162879285 1025950620 /nfs/dbraw/zinc/95/06/20/1025950620.db2.gz CWRUCWWCWXMTOG-HXUWFJFHSA-N 1 3 382.552 3.994 20 0 GHADHO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1nc(N2CCCC2)cc2ccccc21 ZINC001162879285 1025950625 /nfs/dbraw/zinc/95/06/25/1025950625.db2.gz CWRUCWWCWXMTOG-HXUWFJFHSA-N 1 3 382.552 3.994 20 0 GHADHO Cc1ccc2c(c1)[C@@H](Nc1ccc3c(c1)COC31CNC1)CC21CC[NH2+]CC1 ZINC001163035874 1026018595 /nfs/dbraw/zinc/01/85/95/1026018595.db2.gz DMCPAQUMNSCTKO-QFIPXVFZSA-N 1 3 375.516 3.502 20 0 GHADHO COc1ccc(OC)c(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)c1N ZINC001139274810 1026121591 /nfs/dbraw/zinc/12/15/91/1026121591.db2.gz VSDLMQBOCRBHEB-OAQYLSRUSA-N 1 3 399.535 3.756 20 0 GHADHO COc1ccc(OC)c(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)c1N ZINC001139274810 1026121596 /nfs/dbraw/zinc/12/15/96/1026121596.db2.gz VSDLMQBOCRBHEB-OAQYLSRUSA-N 1 3 399.535 3.756 20 0 GHADHO COC(=O)c1cccc2[nH]cc(C[NH+]3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)c21 ZINC001139721957 1026564131 /nfs/dbraw/zinc/56/41/31/1026564131.db2.gz OJGQSNBHBPSQMH-WOJBJXKFSA-N 1 3 389.499 3.518 20 0 GHADHO COc1ccc(-c2nc(CNC3CCN(c4cc[nH+]cc4)CC3)cs2)cc1 ZINC001204048000 1027836595 /nfs/dbraw/zinc/83/65/95/1027836595.db2.gz MCQMDQJHHQHOPR-UHFFFAOYSA-N 1 3 380.517 3.972 20 0 GHADHO CC1CCC(N2CCN(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)CC2)CC1 ZINC001211332223 1027911322 /nfs/dbraw/zinc/91/13/22/1027911322.db2.gz ZMFNAYTUISGDED-SDVLMSEASA-N 1 3 398.595 3.729 20 0 GHADHO COCC1(CNCc2c(C)nn(-c3cc(C)ccc3C)c2Cl)CC[NH2+]CC1 ZINC000841068967 1028085487 /nfs/dbraw/zinc/08/54/87/1028085487.db2.gz YMVRTNOAEDECFO-UHFFFAOYSA-N 1 3 390.959 3.557 20 0 GHADHO CN(C)Cc1ccc(-c2noc(-c3ccc4c(ccn4CCC[NH3+])c3)n2)cc1 ZINC000842571271 1029387218 /nfs/dbraw/zinc/38/72/18/1029387218.db2.gz JMDPSKGKYUBTPM-UHFFFAOYSA-N 1 3 375.476 3.769 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)C1 ZINC000842677920 1029484720 /nfs/dbraw/zinc/48/47/20/1029484720.db2.gz MHCLJVSLOCJEPV-YSTOQKLRSA-N 1 3 379.589 3.732 20 0 GHADHO CN(CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)C1CCC([NH3+])CC1 ZINC000843355519 1029934863 /nfs/dbraw/zinc/93/48/63/1029934863.db2.gz TUHNNBRYNNHQJG-UHFFFAOYSA-N 1 3 395.551 3.670 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126937 1029971863 /nfs/dbraw/zinc/97/18/63/1029971863.db2.gz HZRRCUWCPOYMTO-FCHUYYIVSA-N 1 3 386.584 3.633 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126937 1029971865 /nfs/dbraw/zinc/97/18/65/1029971865.db2.gz HZRRCUWCPOYMTO-FCHUYYIVSA-N 1 3 386.584 3.633 20 0 GHADHO FC(F)(F)c1ccc(-c2ccc(C[NH+]3CCC4(CC3)CNCCO4)cc2)nc1 ZINC001222208848 1030005957 /nfs/dbraw/zinc/00/59/57/1030005957.db2.gz SRVHQAWCWNBZND-UHFFFAOYSA-N 1 3 391.437 3.722 20 0 GHADHO Cc1cc(Cl)c(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c(Cl)c1 ZINC001276907695 1030674777 /nfs/dbraw/zinc/67/47/77/1030674777.db2.gz PESWZGKHOXGFLN-UHFFFAOYSA-N 1 3 398.378 3.678 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC001223657166 1030689367 /nfs/dbraw/zinc/68/93/67/1030689367.db2.gz WZYWCXGOSYSYGU-WIYYLYMNSA-N 1 3 390.616 3.763 20 0 GHADHO CC1(C)C[NH2+]CCc2ccc(OC[C@H]3CN(Cc4ccccc4)CCCO3)cc21 ZINC001218342978 1030903495 /nfs/dbraw/zinc/90/34/95/1030903495.db2.gz BYYSPDGNWDYJEY-HSZRJFAPSA-N 1 3 394.559 3.780 20 0 GHADHO N[C@H](CC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001218996421 1031201040 /nfs/dbraw/zinc/20/10/40/1031201040.db2.gz JDRQZOCAPMPPSP-CRAIPNDOSA-N 1 3 377.410 3.811 20 0 GHADHO C[NH+](C)CCc1ccc(NC(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)cc1 ZINC001219022549 1031216342 /nfs/dbraw/zinc/21/63/42/1031216342.db2.gz KQWUUGIIQIYPHP-GOSISDBHSA-N 1 3 379.426 3.838 20 0 GHADHO CCN1CCCC[C@H]1c1ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)nc1 ZINC001157173474 1033448129 /nfs/dbraw/zinc/44/81/29/1033448129.db2.gz ZMHOMKUTAIGSFU-OALUTQOASA-N 1 3 390.572 3.880 20 0 GHADHO NC[C@]1(O)CCCC[N@H+](Cc2ccccc2-c2ccc(OC(F)(F)F)cc2)C1 ZINC001205725848 1033547363 /nfs/dbraw/zinc/54/73/63/1033547363.db2.gz MCEZPQOSRCSSBP-HXUWFJFHSA-N 1 3 394.437 3.928 20 0 GHADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccc(OC(F)(F)F)cc2)C1 ZINC001205725848 1033547372 /nfs/dbraw/zinc/54/73/72/1033547372.db2.gz MCEZPQOSRCSSBP-HXUWFJFHSA-N 1 3 394.437 3.928 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)N(C)C)cc1 ZINC001229622701 1033600464 /nfs/dbraw/zinc/60/04/64/1033600464.db2.gz VSDBSOWCGVGBRB-OAQYLSRUSA-N 1 3 388.600 3.614 20 0 GHADHO [NH3+][C@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)c1ccc(-c2ccccc2)cc1 ZINC001206126850 1033729548 /nfs/dbraw/zinc/72/95/48/1033729548.db2.gz QJJQNWUKXAPEOD-HXUWFJFHSA-N 1 3 397.482 3.687 20 0 GHADHO c1ccc(C[NH+]2CCC(CN3CCN(c4nc5ccccc5o4)CC3)CC2)cc1 ZINC001207291542 1034243806 /nfs/dbraw/zinc/24/38/06/1034243806.db2.gz RWIOGOSVCDGSKY-UHFFFAOYSA-N 1 3 390.531 3.862 20 0 GHADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001158968008 1034361313 /nfs/dbraw/zinc/36/13/13/1034361313.db2.gz ILZSVZFMMYUUHB-JOCHJYFZSA-N 1 3 397.607 3.721 20 0 GHADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001158968008 1034361333 /nfs/dbraw/zinc/36/13/33/1034361333.db2.gz ILZSVZFMMYUUHB-JOCHJYFZSA-N 1 3 397.607 3.721 20 0 GHADHO Cc1csc2ncnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)c12 ZINC001159459768 1034604463 /nfs/dbraw/zinc/60/44/63/1034604463.db2.gz DOBMRZGOWQBLJI-UHFFFAOYSA-N 1 3 391.544 3.909 20 0 GHADHO CC(C)Oc1ncccc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001231758053 1034890940 /nfs/dbraw/zinc/89/09/40/1034890940.db2.gz JSWSMPPDVKITDM-HXUWFJFHSA-N 1 3 399.535 3.717 20 0 GHADHO CC(C)Oc1ncccc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001231758053 1034890943 /nfs/dbraw/zinc/89/09/43/1034890943.db2.gz JSWSMPPDVKITDM-HXUWFJFHSA-N 1 3 399.535 3.717 20 0 GHADHO CC(C)c1ccccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C(C)C)C1 ZINC001231874997 1034960341 /nfs/dbraw/zinc/96/03/41/1034960341.db2.gz CBBLKJPOTSKTGY-GIWBLDEGSA-N 1 3 381.568 3.775 20 0 GHADHO CC(C)c1ccccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C(C)C)C1 ZINC001231874997 1034960343 /nfs/dbraw/zinc/96/03/43/1034960343.db2.gz CBBLKJPOTSKTGY-GIWBLDEGSA-N 1 3 381.568 3.775 20 0 GHADHO CC/C=C\CCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001208727868 1034991343 /nfs/dbraw/zinc/99/13/43/1034991343.db2.gz SXWHDZXVAXECAA-YJTVBXBWSA-N 1 3 383.580 3.988 20 0 GHADHO CC/C=C\CCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001208727868 1034991344 /nfs/dbraw/zinc/99/13/44/1034991344.db2.gz SXWHDZXVAXECAA-YJTVBXBWSA-N 1 3 383.580 3.988 20 0 GHADHO CN(CCCNC(=O)OC(C)(C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936700 1035103662 /nfs/dbraw/zinc/10/36/62/1035103662.db2.gz OYKYZXQXQCIZOC-FQEVSTJZSA-N 1 3 375.557 3.745 20 0 GHADHO CN(CCCNC(=O)OC(C)(C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936700 1035103666 /nfs/dbraw/zinc/10/36/66/1035103666.db2.gz OYKYZXQXQCIZOC-FQEVSTJZSA-N 1 3 375.557 3.745 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CCN2C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940388 1035110208 /nfs/dbraw/zinc/11/02/08/1035110208.db2.gz CEOTUZSNRBAYAE-NRFANRHFSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CCN2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940388 1035110210 /nfs/dbraw/zinc/11/02/10/1035110210.db2.gz CEOTUZSNRBAYAE-NRFANRHFSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]2C1 ZINC001208941945 1035111485 /nfs/dbraw/zinc/11/14/85/1035111485.db2.gz NQQFVISVJYIEPX-YPAWHYETSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]2C1 ZINC001208941945 1035111490 /nfs/dbraw/zinc/11/14/90/1035111490.db2.gz NQQFVISVJYIEPX-YPAWHYETSA-N 1 3 399.579 3.697 20 0 GHADHO C[NH+]1CCC2(CCN(C(=O)C[C@@H](N)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC001160993431 1035114420 /nfs/dbraw/zinc/11/44/20/1035114420.db2.gz QOAQLOHCDVHVEP-QGZVFWFLSA-N 1 3 384.351 3.718 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232144306 1035121768 /nfs/dbraw/zinc/12/17/68/1035121768.db2.gz HPQLZDHDTLVTHS-JOCHJYFZSA-N 1 3 391.531 3.720 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)c1 ZINC001232146396 1035124470 /nfs/dbraw/zinc/12/44/70/1035124470.db2.gz PGKMYKWXEMHVFI-VXKWHMMOSA-N 1 3 383.511 3.511 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)c1 ZINC001232146396 1035124473 /nfs/dbraw/zinc/12/44/73/1035124473.db2.gz PGKMYKWXEMHVFI-VXKWHMMOSA-N 1 3 383.511 3.511 20 0 GHADHO CN(Cc1cc(F)cc(C[NH+](C)C)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232146206 1035124512 /nfs/dbraw/zinc/12/45/12/1035124512.db2.gz LMOQMKSTVDALOW-LJQANCHMSA-N 1 3 379.520 3.719 20 0 GHADHO c1csc(CN2CC[C@@H]3CN(C[C@H]4CC[N@H+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953139 1035124909 /nfs/dbraw/zinc/12/49/09/1035124909.db2.gz YSIWXDZVESOBBQ-BHDDXSALSA-N 1 3 396.604 3.561 20 0 GHADHO c1csc(CN2CC[C@@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953139 1035124913 /nfs/dbraw/zinc/12/49/13/1035124913.db2.gz YSIWXDZVESOBBQ-BHDDXSALSA-N 1 3 396.604 3.561 20 0 GHADHO Cc1cccc(OCCN(C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c1 ZINC001461939716 1069904094 /nfs/dbraw/zinc/90/40/94/1069904094.db2.gz KSUHLOKIIYMXIO-UHFFFAOYSA-N 1 3 392.446 3.889 20 0 GHADHO CN(C)CCN(C(=O)c1ccc2c(c1)C(C)(C)c1ccccc1-2)[C@@H]1CCC[NH2+]C1 ZINC001161450296 1035233718 /nfs/dbraw/zinc/23/37/18/1035233718.db2.gz DCIOVNUCLJVCAH-LJQANCHMSA-N 1 3 391.559 3.749 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1(C)C ZINC001462148053 1070034216 /nfs/dbraw/zinc/03/42/16/1070034216.db2.gz MUXPVXJITZETJN-APWZRJJASA-N 1 3 383.502 3.746 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(-c2cccs2)c1 ZINC001245990950 1037112067 /nfs/dbraw/zinc/11/20/67/1037112067.db2.gz FRRMLBXEAJJAPC-VQTJNVASSA-N 1 3 388.483 3.714 20 0 GHADHO O[C@H](CN[C@H](CC1CC[NH2+]CC1)c1ccccc1F)c1ccc(F)c(F)c1 ZINC001246007266 1037126919 /nfs/dbraw/zinc/12/69/19/1037126919.db2.gz PQTCAOGVRFIWNV-NHCUHLMSSA-N 1 3 378.438 3.858 20 0 GHADHO Cc1cccc(C2([NH2+]C[C@@H](O)[C@@H](N)Cc3ccccc3)CCC(F)(F)CC2)c1 ZINC001246008841 1037130168 /nfs/dbraw/zinc/13/01/68/1037130168.db2.gz PZUSGPGFQKFCLH-LEWJYISDSA-N 1 3 388.502 3.920 20 0 GHADHO Cc1cccc(C2(NC[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)CCC(F)(F)CC2)c1 ZINC001246008841 1037130179 /nfs/dbraw/zinc/13/01/79/1037130179.db2.gz PZUSGPGFQKFCLH-LEWJYISDSA-N 1 3 388.502 3.920 20 0 GHADHO Fc1cc(Br)c(F)c(CN[C@H]2CCC3(C2)CC[NH2+]CC3)c1F ZINC001246079545 1037188933 /nfs/dbraw/zinc/18/89/33/1037188933.db2.gz CHGMYALYQWDIKC-JTQLQIEISA-N 1 3 377.248 3.878 20 0 GHADHO Fc1ccccc1C1(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)CCOCC1 ZINC001246178808 1037224746 /nfs/dbraw/zinc/22/47/46/1037224746.db2.gz OHMQYZPLKBENRN-RTWAWAEBSA-N 1 3 382.523 3.827 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc1 ZINC001246190703 1037229281 /nfs/dbraw/zinc/22/92/81/1037229281.db2.gz MFJSVPNIQRQSPO-IFMALSPDSA-N 1 3 384.495 3.823 20 0 GHADHO CCOC(=O)CC1(N[C@H](C)CCc2ccc3cc(OC)ccc3c2)CC[NH2+]CC1 ZINC001246322551 1037294061 /nfs/dbraw/zinc/29/40/61/1037294061.db2.gz AJHMPYVRIYDNPD-GOSISDBHSA-N 1 3 398.547 3.835 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356831 1037314995 /nfs/dbraw/zinc/31/49/95/1037314995.db2.gz WJPWHGPKKFIFTF-UZLBHIALSA-N 1 3 383.502 3.825 20 0 GHADHO COc1ccc(CC2(N[C@H]3C[C@@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246374597 1037330453 /nfs/dbraw/zinc/33/04/53/1037330453.db2.gz FQDQDFPHDSYIEX-OFNKIYASSA-N 1 3 393.575 3.613 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H](NC2(Cc3ccccc3Cl)CC[NH2+]CC2)C1 ZINC001246396189 1037355897 /nfs/dbraw/zinc/35/58/97/1037355897.db2.gz YLXGSYXUNVQXKR-SJLPKXTDSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246396189 1037355917 /nfs/dbraw/zinc/35/59/17/1037355917.db2.gz YLXGSYXUNVQXKR-SJLPKXTDSA-N 1 3 378.944 3.716 20 0 GHADHO C[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](CC1CC[NH2+]CC1)c1ccccc1 ZINC001246397812 1037357274 /nfs/dbraw/zinc/35/72/74/1037357274.db2.gz UNYCRIYXKFBECD-PGRDOPGGSA-N 1 3 386.561 3.569 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN[C@@H](Cc3ccccc3)C1)CCC2 ZINC001246408776 1037365278 /nfs/dbraw/zinc/36/52/78/1037365278.db2.gz DMSHGNMDDCOZNY-FUPPJEDESA-N 1 3 378.516 3.804 20 0 GHADHO COC(=O)[C@H]1CCC[C@H](NC2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246418980 1037374976 /nfs/dbraw/zinc/37/49/76/1037374976.db2.gz BQDNTUSUGBRBMY-YJBOKZPZSA-N 1 3 398.469 3.996 20 0 GHADHO COc1ccccc1CC1([NH2+]C2CCN(c3ccc(F)cc3)CC2)CCNCC1 ZINC001246427898 1037387467 /nfs/dbraw/zinc/38/74/67/1037387467.db2.gz XQRJFXJPYBOXPC-UHFFFAOYSA-N 1 3 397.538 3.758 20 0 GHADHO COc1ccccc1CC1(NC2CCN(c3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC001246427898 1037387489 /nfs/dbraw/zinc/38/74/89/1037387489.db2.gz XQRJFXJPYBOXPC-UHFFFAOYSA-N 1 3 397.538 3.758 20 0 GHADHO CC[C@H]1CC(NCCc2ccc(OCC(=O)OC(C)(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246485695 1037433006 /nfs/dbraw/zinc/43/30/06/1037433006.db2.gz VUAZPTKSEHICJV-OALUTQOASA-N 1 3 390.568 3.848 20 0 GHADHO CC[C@H]1CC[C@H]([NH2+]CCCC[C@H](N)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)C1 ZINC001246493115 1037439723 /nfs/dbraw/zinc/43/97/23/1037439723.db2.gz HUFIQQICOBPULA-ZWOKBUDYSA-N 1 3 399.535 3.706 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@@H+]2C2Cc3ccccc3C2)cc1 ZINC001246617855 1037509644 /nfs/dbraw/zinc/50/96/44/1037509644.db2.gz HFGOFEXBRYAOTJ-HSZRJFAPSA-N 1 3 376.544 3.957 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@H+]2C2Cc3ccccc3C2)cc1 ZINC001246617855 1037509659 /nfs/dbraw/zinc/50/96/59/1037509659.db2.gz HFGOFEXBRYAOTJ-HSZRJFAPSA-N 1 3 376.544 3.957 20 0 GHADHO COc1cccc2c1CC[C@H]([N@@H+]1CC[C@]3(c4ccccc4)CCNC[C@@H]3C1)C2 ZINC001246674485 1037540002 /nfs/dbraw/zinc/54/00/02/1037540002.db2.gz UIGURAWIZPPZPR-SLSDLSHTSA-N 1 3 376.544 3.806 20 0 GHADHO COc1cccc2c1CC[C@H]([N@H+]1CC[C@]3(c4ccccc4)CCNC[C@@H]3C1)C2 ZINC001246674485 1037540007 /nfs/dbraw/zinc/54/00/07/1037540007.db2.gz UIGURAWIZPPZPR-SLSDLSHTSA-N 1 3 376.544 3.806 20 0 GHADHO C[C@H]1C[C@@H](N2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC001246699651 1037555902 /nfs/dbraw/zinc/55/59/02/1037555902.db2.gz YCZFUKNZTTXZMW-PXNSSMCTSA-N 1 3 389.547 3.955 20 0 GHADHO C[C@H]1C[C@@H]([NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)CCN1 ZINC001246699651 1037555908 /nfs/dbraw/zinc/55/59/08/1037555908.db2.gz YCZFUKNZTTXZMW-PXNSSMCTSA-N 1 3 389.547 3.955 20 0 GHADHO COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCN[C@H](Cc4ccccc4)C3)C2)c1 ZINC001246783309 1037623992 /nfs/dbraw/zinc/62/39/92/1037623992.db2.gz SYTKREQRQKCVHX-PQNGQFLHSA-N 1 3 380.532 3.902 20 0 GHADHO COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CCN[C@H](Cc4ccccc4)C3)C2)c1 ZINC001246783309 1037624001 /nfs/dbraw/zinc/62/40/01/1037624001.db2.gz SYTKREQRQKCVHX-PQNGQFLHSA-N 1 3 380.532 3.902 20 0 GHADHO c1ccc(C(OCCN2CCCN([C@@H]3CCC[NH2+]C3)CC2)c2ccccc2)cc1 ZINC001246831419 1037663195 /nfs/dbraw/zinc/66/31/95/1037663195.db2.gz DLCSVRKMDJFOID-XMMPIXPASA-N 1 3 393.575 3.552 20 0 GHADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246875970 1037689314 /nfs/dbraw/zinc/68/93/14/1037689314.db2.gz KJQCLWIUQTWBMC-NJDAHSKKSA-N 1 3 380.532 3.639 20 0 GHADHO CCOC(=O)CC[C@H](C)[N@H+](Cc1ccc(Br)cc1)C1CCNCC1 ZINC001246934968 1037737856 /nfs/dbraw/zinc/73/78/56/1037737856.db2.gz DXCDYPGNIFGOOD-HNNXBMFYSA-N 1 3 397.357 3.735 20 0 GHADHO CCOC(=O)CC[C@H](C)[N@@H+](Cc1ccc(Br)cc1)C1CCNCC1 ZINC001246934968 1037737879 /nfs/dbraw/zinc/73/78/79/1037737879.db2.gz DXCDYPGNIFGOOD-HNNXBMFYSA-N 1 3 397.357 3.735 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951575 1037755882 /nfs/dbraw/zinc/75/58/82/1037755882.db2.gz LZFVJMACMWPOOK-AZUAARDMSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951575 1037755902 /nfs/dbraw/zinc/75/59/02/1037755902.db2.gz LZFVJMACMWPOOK-AZUAARDMSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@H+](Cc2ccc(OC)cc2)C2CCNCC2)cc1 ZINC001246956663 1037769495 /nfs/dbraw/zinc/76/94/95/1037769495.db2.gz ZMTMMXUVBKRJRL-SFHVURJKSA-N 1 3 396.531 3.667 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2ccc(OC)cc2)C2CCNCC2)cc1 ZINC001246956663 1037769519 /nfs/dbraw/zinc/76/95/19/1037769519.db2.gz ZMTMMXUVBKRJRL-SFHVURJKSA-N 1 3 396.531 3.667 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)N(Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001246956663 1037769539 /nfs/dbraw/zinc/76/95/39/1037769539.db2.gz ZMTMMXUVBKRJRL-SFHVURJKSA-N 1 3 396.531 3.667 20 0 GHADHO C[NH+]1CCC2(CN(Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)CC1 ZINC001232433130 1038213081 /nfs/dbraw/zinc/21/30/81/1038213081.db2.gz KTRDAJVTXQVHED-UHFFFAOYSA-N 1 3 385.552 3.902 20 0 GHADHO CSc1ccc(Cl)cc1CN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277688885 1038394099 /nfs/dbraw/zinc/39/40/99/1038394099.db2.gz OYACCNUOEGRNOA-HXUWFJFHSA-N 1 3 396.000 3.581 20 0 GHADHO C[C@H]1CC[C@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001462343782 1070186705 /nfs/dbraw/zinc/18/67/05/1070186705.db2.gz QRKBLPGBKDXFAN-AZUAARDMSA-N 1 3 387.568 3.934 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cccc3nccn31)CC2 ZINC001233362182 1039189592 /nfs/dbraw/zinc/18/95/92/1039189592.db2.gz RGCRUEPTSRBUKB-IBGZPJMESA-N 1 3 396.560 3.651 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cccc3nccn31)CC2 ZINC001233362182 1039189599 /nfs/dbraw/zinc/18/95/99/1039189599.db2.gz RGCRUEPTSRBUKB-IBGZPJMESA-N 1 3 396.560 3.651 20 0 GHADHO C[C@@H](C[NH+](C)C)Oc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001233829465 1039650807 /nfs/dbraw/zinc/65/08/07/1039650807.db2.gz RXPHEYHGYDUCLD-KRWDZBQOSA-N 1 3 391.556 3.505 20 0 GHADHO COc1cccc([C@@H]2CC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)c1 ZINC001254039701 1039970380 /nfs/dbraw/zinc/97/03/80/1039970380.db2.gz AYFCRTLRNOUTRR-JOCHJYFZSA-N 1 3 380.532 3.512 20 0 GHADHO COc1cccc([C@@H]2CC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)c1 ZINC001254039701 1039970386 /nfs/dbraw/zinc/97/03/86/1039970386.db2.gz AYFCRTLRNOUTRR-JOCHJYFZSA-N 1 3 380.532 3.512 20 0 GHADHO OC1(CN[C@@H](c2ccccc2)c2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC001254048618 1039975009 /nfs/dbraw/zinc/97/50/09/1039975009.db2.gz UJDIQEYYGHTKNM-DEOSSOPVSA-N 1 3 387.527 3.788 20 0 GHADHO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1cc(F)cc(CN(C)C)c1)CC2 ZINC001235019146 1040507966 /nfs/dbraw/zinc/50/79/66/1040507966.db2.gz LIRJTYMXRMVUCS-UHFFFAOYSA-N 1 3 397.538 3.533 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001254765311 1040525951 /nfs/dbraw/zinc/52/59/51/1040525951.db2.gz SIDHGYFLSYTNNB-GOSISDBHSA-N 1 3 377.573 3.773 20 0 GHADHO COc1cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc(Br)c1[O-] ZINC001235157836 1040651978 /nfs/dbraw/zinc/65/19/78/1040651978.db2.gz SCSMKJSMPYKQIA-INIZCTEOSA-N 1 3 383.330 3.517 20 0 GHADHO COc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc(Br)c1[O-] ZINC001235157836 1040651990 /nfs/dbraw/zinc/65/19/90/1040651990.db2.gz SCSMKJSMPYKQIA-INIZCTEOSA-N 1 3 383.330 3.517 20 0 GHADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(Cc1cc(F)ccc1Cl)C2 ZINC001235325015 1040794661 /nfs/dbraw/zinc/79/46/61/1040794661.db2.gz NNSKIYVOTZOZHA-GHTZIAJQSA-N 1 3 394.918 3.624 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130543 1040824463 /nfs/dbraw/zinc/82/44/63/1040824463.db2.gz VRMBDCCKFFUJSN-CGBRIMPHSA-N 1 3 391.559 3.677 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130543 1040824496 /nfs/dbraw/zinc/82/44/96/1040824496.db2.gz VRMBDCCKFFUJSN-CGBRIMPHSA-N 1 3 391.559 3.677 20 0 GHADHO COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001255131756 1040828891 /nfs/dbraw/zinc/82/88/91/1040828891.db2.gz QFEMCGKHIUXDKQ-HTUFRPJOSA-N 1 3 380.532 3.520 20 0 GHADHO CCOC(=O)[C@@]12CN(Cc3c(Cl)cc(C)cc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235352164 1040830098 /nfs/dbraw/zinc/83/00/98/1040830098.db2.gz LKXIBJYUCBAVCC-LIRRHRJNSA-N 1 3 385.335 3.667 20 0 GHADHO O[C@@]1(C(F)(F)F)CCCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255136422 1040840732 /nfs/dbraw/zinc/84/07/32/1040840732.db2.gz LACBTGFKUUWRFM-NMLBUPMWSA-N 1 3 382.470 3.961 20 0 GHADHO O[C@@]1(C(F)(F)F)CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255136422 1040840740 /nfs/dbraw/zinc/84/07/40/1040840740.db2.gz LACBTGFKUUWRFM-NMLBUPMWSA-N 1 3 382.470 3.961 20 0 GHADHO Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)n1 ZINC001255149740 1040866263 /nfs/dbraw/zinc/86/62/63/1040866263.db2.gz MZZGCWJEDFJWNH-WZYRSQIMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)n1 ZINC001255149740 1040866267 /nfs/dbraw/zinc/86/62/67/1040866267.db2.gz MZZGCWJEDFJWNH-WZYRSQIMSA-N 1 3 392.547 3.824 20 0 GHADHO COc1ccc(N(C)c2ccc(CN3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)cc2)cc1 ZINC001235394550 1040909439 /nfs/dbraw/zinc/90/94/39/1040909439.db2.gz DNPYDITVXCGNIQ-PGRDOPGGSA-N 1 3 383.511 3.972 20 0 GHADHO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C(F)(F)F)c1OC ZINC001235429608 1040931082 /nfs/dbraw/zinc/93/10/82/1040931082.db2.gz USPKPPRFBKIDNG-LSDHHAIUSA-N 1 3 386.458 3.934 20 0 GHADHO COc1c(Br)cc(C)cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430332 1040931588 /nfs/dbraw/zinc/93/15/88/1040931588.db2.gz WUDMGXORZFIFQP-CVEARBPZSA-N 1 3 381.358 3.978 20 0 GHADHO CN(C)c1ccc(Br)cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431208 1040932750 /nfs/dbraw/zinc/93/27/50/1040932750.db2.gz YNOQRMMKHTXZCT-JKSUJKDBSA-N 1 3 380.374 3.727 20 0 GHADHO O=C1CCCCN1c1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)cn1 ZINC001255392926 1040981579 /nfs/dbraw/zinc/98/15/79/1040981579.db2.gz NFIQOSBUMDQKMB-JOCHJYFZSA-N 1 3 392.547 3.743 20 0 GHADHO COC(=O)[C@H]1C[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410322 1040999870 /nfs/dbraw/zinc/99/98/70/1040999870.db2.gz UKOCUZICNBWWKX-GMAHTHKFSA-N 1 3 378.516 3.814 20 0 GHADHO COC(=O)[C@H]1C[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410322 1040999876 /nfs/dbraw/zinc/99/98/76/1040999876.db2.gz UKOCUZICNBWWKX-GMAHTHKFSA-N 1 3 378.516 3.814 20 0 GHADHO Cc1ccc(I)cc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001235784739 1041271335 /nfs/dbraw/zinc/27/13/35/1041271335.db2.gz OINVXPWUVIKFRT-UHFFFAOYSA-N 1 3 384.305 3.517 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001255905420 1041388235 /nfs/dbraw/zinc/38/82/35/1041388235.db2.gz NRTYOMAUJXWLKB-UYAOXDASSA-N 1 3 377.573 3.796 20 0 GHADHO c1ccc(C(OCCN2CCCN(C[C@H]3CCC[NH2+]3)CC2)c2ccccc2)cc1 ZINC001235867412 1041401740 /nfs/dbraw/zinc/40/17/40/1041401740.db2.gz PNTOBJLCWBFTFA-XMMPIXPASA-N 1 3 393.575 3.552 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001255950637 1041432434 /nfs/dbraw/zinc/43/24/34/1041432434.db2.gz BSOPIXSRTXFSLL-SFHVURJKSA-N 1 3 377.573 3.964 20 0 GHADHO CCN(Cc1cccc(Br)c1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235963698 1041468163 /nfs/dbraw/zinc/46/81/63/1041468163.db2.gz YRRPOUYACNBTCB-UHFFFAOYSA-N 1 3 388.353 3.881 20 0 GHADHO O=C1N[C@H](c2ccc(-c3cccc(CN4CCCCC4)c3F)cc2)CC12C[NH2+]C2 ZINC001236010482 1041502903 /nfs/dbraw/zinc/50/29/03/1041502903.db2.gz ASLBUSYWGJZICH-NRFANRHFSA-N 1 3 393.506 3.629 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2cc(CNC3CC[NH+](C4CC4)CC3)ccc2C1 ZINC001256066722 1041503967 /nfs/dbraw/zinc/50/39/67/1041503967.db2.gz NYZYRXONHOBQAO-UHFFFAOYSA-N 1 3 385.552 3.696 20 0 GHADHO Brc1cc(CN(C2CCC2)C2CC[NH2+]CC2)ccc1-n1cccn1 ZINC001236638254 1041797552 /nfs/dbraw/zinc/79/75/52/1041797552.db2.gz XNJBWDNPAWEHLF-UHFFFAOYSA-N 1 3 389.341 3.741 20 0 GHADHO Brc1cc(C[N@H+](C2CCC2)C2CCNCC2)ccc1-n1cccn1 ZINC001236638254 1041797556 /nfs/dbraw/zinc/79/75/56/1041797556.db2.gz XNJBWDNPAWEHLF-UHFFFAOYSA-N 1 3 389.341 3.741 20 0 GHADHO Brc1cc(C[N@@H+](C2CCC2)C2CCNCC2)ccc1-n1cccn1 ZINC001236638254 1041797559 /nfs/dbraw/zinc/79/75/59/1041797559.db2.gz XNJBWDNPAWEHLF-UHFFFAOYSA-N 1 3 389.341 3.741 20 0 GHADHO Cc1cc(-c2cccc(Cl)c2)ncc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001238539788 1042634019 /nfs/dbraw/zinc/63/40/19/1042634019.db2.gz QNVAJQZSIDXGFV-UHFFFAOYSA-N 1 3 398.982 3.922 20 0 GHADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1c(Cl)cc(Cl)cc1Cl ZINC001239216336 1042788010 /nfs/dbraw/zinc/78/80/10/1042788010.db2.gz NUXMUTOREROULA-NSHDSACASA-N 1 3 391.730 3.643 20 0 GHADHO [NH3+]C1CCN(Cc2ccc(-c3ccc(C4(N5CCOCC5)CC4)cc3)cc2)CC1 ZINC001240866826 1042960701 /nfs/dbraw/zinc/96/07/01/1042960701.db2.gz NTHRIJLXAMOHAH-UHFFFAOYSA-N 1 3 391.559 3.598 20 0 GHADHO [NH3+]C1CCN(Cc2cccc(-c3ccc(C4(N5CCOCC5)CC4)cc3)c2)CC1 ZINC001240867017 1042961203 /nfs/dbraw/zinc/96/12/03/1042961203.db2.gz PSXBYPJQDNOACF-UHFFFAOYSA-N 1 3 391.559 3.598 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462672655 1070460618 /nfs/dbraw/zinc/46/06/18/1070460618.db2.gz KTKAVDGEFGFGLV-FHWLQOOXSA-N 1 3 385.552 3.694 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CCN1Cc1ccccc1 ZINC001256534628 1043472991 /nfs/dbraw/zinc/47/29/91/1043472991.db2.gz SWASBYKXYSDYTL-TZIWHRDSSA-N 1 3 395.547 3.782 20 0 GHADHO CC(C)(C)N1CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001256574031 1043548520 /nfs/dbraw/zinc/54/85/20/1043548520.db2.gz UNCKOFLDDDVROP-NZQKXSOJSA-N 1 3 387.568 3.594 20 0 GHADHO CC(C)(C)N1CCC([N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001256574031 1043548523 /nfs/dbraw/zinc/54/85/23/1043548523.db2.gz UNCKOFLDDDVROP-NZQKXSOJSA-N 1 3 387.568 3.594 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCN(Cc5ccncc5)CC4)[C@H]3C2)cc1 ZINC001256578648 1043551353 /nfs/dbraw/zinc/55/13/53/1043551353.db2.gz VHHVZDNEMZROPV-HVCNVCAESA-N 1 3 390.575 3.546 20 0 GHADHO COc1cc(Cl)cc([C@@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)c1OC ZINC001256681032 1043619643 /nfs/dbraw/zinc/61/96/43/1043619643.db2.gz IWBHTWLENBEJJK-ODIFPOPNSA-N 1 3 382.932 3.651 20 0 GHADHO Fc1cccc([C@H](CC2CCOCC2)[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256685769 1043620673 /nfs/dbraw/zinc/62/06/73/1043620673.db2.gz GJYJMNQVOCZQQY-VNXZQDSDSA-N 1 3 390.543 3.917 20 0 GHADHO C[C@H](Cc1ccccc1Br)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001256838174 1043688213 /nfs/dbraw/zinc/68/82/13/1043688213.db2.gz OZQLAZRCMUTJRS-MRXNPFEDSA-N 1 3 395.385 3.861 20 0 GHADHO Clc1ccc(Cn2cnc(CNC3CCN(c4cc[nH+]cc4)CC3)c2)cc1 ZINC001256853294 1043703762 /nfs/dbraw/zinc/70/37/62/1043703762.db2.gz VQAPFZSXRDKWLW-UHFFFAOYSA-N 1 3 381.911 3.738 20 0 GHADHO Clc1ccccc1Cn1cnc(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001256853964 1043703779 /nfs/dbraw/zinc/70/37/79/1043703779.db2.gz DGSKKJYCDHUQDX-UHFFFAOYSA-N 1 3 381.911 3.738 20 0 GHADHO C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C[C@H](C)O1 ZINC001257091682 1043839250 /nfs/dbraw/zinc/83/92/50/1043839250.db2.gz GCEWHWYJOOFIMF-RDGPPVDQSA-N 1 3 378.582 3.759 20 0 GHADHO [NH3+]C1(c2cccnc2)CCN(C2CCC(C3CCC4(CC3)OCCO4)CC2)CC1 ZINC001257492259 1044018633 /nfs/dbraw/zinc/01/86/33/1044018633.db2.gz NFPHQMAXWPKWIW-UHFFFAOYSA-N 1 3 399.579 3.824 20 0 GHADHO CC(C)CN1CCC([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)CC1 ZINC001258007334 1044333343 /nfs/dbraw/zinc/33/33/43/1044333343.db2.gz BTCCPZPZNZRXKV-UHFFFAOYSA-N 1 3 381.568 3.556 20 0 GHADHO CCN([C@@H]1CCOC1)C1CC[NH+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258544553 1044621787 /nfs/dbraw/zinc/62/17/87/1044621787.db2.gz LHXBFVJNYRZVPD-HXUWFJFHSA-N 1 3 391.987 3.884 20 0 GHADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258710596 1044726570 /nfs/dbraw/zinc/72/65/70/1044726570.db2.gz YACFOELTFIWULT-HSZRJFAPSA-N 1 3 395.591 3.612 20 0 GHADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258710596 1044726579 /nfs/dbraw/zinc/72/65/79/1044726579.db2.gz YACFOELTFIWULT-HSZRJFAPSA-N 1 3 395.591 3.612 20 0 GHADHO COc1cc(C[C@@H](C)N2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC001258875057 1044818917 /nfs/dbraw/zinc/81/89/17/1044818917.db2.gz XELHBCTYCWUSDS-HOJAQTOUSA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@@H](C)N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC001258875057 1044818936 /nfs/dbraw/zinc/81/89/36/1044818936.db2.gz XELHBCTYCWUSDS-HOJAQTOUSA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@@H](C)[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)cc(OC)c1OC ZINC001258875057 1044818970 /nfs/dbraw/zinc/81/89/70/1044818970.db2.gz XELHBCTYCWUSDS-HOJAQTOUSA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@@H](C)[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)cc(OC)c1OC ZINC001258875057 1044818997 /nfs/dbraw/zinc/81/89/97/1044818997.db2.gz XELHBCTYCWUSDS-HOJAQTOUSA-N 1 3 390.568 3.982 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001258880692 1044831185 /nfs/dbraw/zinc/83/11/85/1044831185.db2.gz ITMSCEAJXNXKAT-HXUWFJFHSA-N 1 3 381.564 3.554 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCOCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001258910209 1044863427 /nfs/dbraw/zinc/86/34/27/1044863427.db2.gz OILBYDRNKINMMO-IBGZPJMESA-N 1 3 397.604 3.599 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000381796699 1047000135 /nfs/dbraw/zinc/00/01/35/1047000135.db2.gz PLYDQLBPCZGCIX-FNAHDJPLSA-N 1 3 399.579 3.886 20 0 GHADHO Brc1ccc(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)s1 ZINC001279397811 1047794297 /nfs/dbraw/zinc/79/42/97/1047794297.db2.gz QPJRBCVEFOVKDI-SJORKVTESA-N 1 3 395.370 3.959 20 0 GHADHO Brc1cc(CN2CCC3(CCC[N@H+](Cc4ccc[nH]4)C3)CC2)c[nH]1 ZINC001279507306 1047828699 /nfs/dbraw/zinc/82/86/99/1047828699.db2.gz QEDLKMGLXBQHID-UHFFFAOYSA-N 1 3 391.357 3.984 20 0 GHADHO Brc1cc(CN2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)c[nH]1 ZINC001279507306 1047828707 /nfs/dbraw/zinc/82/87/07/1047828707.db2.gz QEDLKMGLXBQHID-UHFFFAOYSA-N 1 3 391.357 3.984 20 0 GHADHO CSc1ccc(OC[C@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC001307411774 1049253965 /nfs/dbraw/zinc/25/39/65/1049253965.db2.gz GPMQRMXZVJOLKP-HXUWFJFHSA-N 1 3 392.609 3.736 20 0 GHADHO CN(CC(=O)NC1CC[NH+](C)CC1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001307729641 1049543156 /nfs/dbraw/zinc/54/31/56/1049543156.db2.gz HMNCPUUAGWPBTF-OAQYLSRUSA-N 1 3 377.960 3.714 20 0 GHADHO CCCCN(CCOCCNC(=O)OC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307967083 1049727741 /nfs/dbraw/zinc/72/77/41/1049727741.db2.gz MZTCDTGROUZJGP-UHFFFAOYSA-N 1 3 399.620 3.939 20 0 GHADHO C[C@H]1CN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308038662 1049789461 /nfs/dbraw/zinc/78/94/61/1049789461.db2.gz AKGIEPRMSBUUPH-OALUTQOASA-N 1 3 388.556 3.629 20 0 GHADHO C[C@@H]1C[N@@H+](CCCCNCc2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC001308282020 1049936294 /nfs/dbraw/zinc/93/62/94/1049936294.db2.gz ZJWWWKPSKIYEBH-BETUJISGSA-N 1 3 391.300 3.706 20 0 GHADHO C[C@@H]1C[N@H+](CCCCNCc2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC001308282020 1049936298 /nfs/dbraw/zinc/93/62/98/1049936298.db2.gz ZJWWWKPSKIYEBH-BETUJISGSA-N 1 3 391.300 3.706 20 0 GHADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1C(F)(F)F ZINC001335399880 1052090483 /nfs/dbraw/zinc/09/04/83/1052090483.db2.gz JWOZQETUIZQLRO-FQEVSTJZSA-N 1 3 393.453 3.636 20 0 GHADHO CC(C)n1ncc2cc(CN3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c(Cl)nc21 ZINC001335581561 1052134670 /nfs/dbraw/zinc/13/46/70/1052134670.db2.gz FDLWNMROBMUQBC-ZVZYQTTQSA-N 1 3 375.948 3.828 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001311748189 1052371002 /nfs/dbraw/zinc/37/10/02/1052371002.db2.gz ZQFBHRBTAHZHIS-ISKFKSNPSA-N 1 3 394.563 3.562 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001311748189 1052371014 /nfs/dbraw/zinc/37/10/14/1052371014.db2.gz ZQFBHRBTAHZHIS-ISKFKSNPSA-N 1 3 394.563 3.562 20 0 GHADHO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N(C)Cc1ccccc1 ZINC001311986504 1052515282 /nfs/dbraw/zinc/51/52/82/1052515282.db2.gz LACKEMLKUGCNIH-UGKGYDQZSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)N(C)Cc1ccccc1 ZINC001311986504 1052515290 /nfs/dbraw/zinc/51/52/90/1052515290.db2.gz LACKEMLKUGCNIH-UGKGYDQZSA-N 1 3 386.584 3.603 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001312998105 1052929983 /nfs/dbraw/zinc/92/99/83/1052929983.db2.gz GEXXIWJHHJWHMU-YPAWHYETSA-N 1 3 398.595 3.555 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001312998105 1052929986 /nfs/dbraw/zinc/92/99/86/1052929986.db2.gz GEXXIWJHHJWHMU-YPAWHYETSA-N 1 3 398.595 3.555 20 0 GHADHO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001313316420 1053016182 /nfs/dbraw/zinc/01/61/82/1053016182.db2.gz RGUJRKDQNOJRJA-YLJYHZDGSA-N 1 3 394.991 3.676 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(c2c(C)cnc3ccccc32)CC1 ZINC001319314039 1055178164 /nfs/dbraw/zinc/17/81/64/1055178164.db2.gz LYXYJDIWBDHFQP-UHFFFAOYSA-N 1 3 382.552 3.608 20 0 GHADHO COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1OC ZINC001319762410 1055450568 /nfs/dbraw/zinc/45/05/68/1055450568.db2.gz GCAYXAZVTNZZKG-IBGZPJMESA-N 1 3 397.563 3.610 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)C1 ZINC001319785125 1055466919 /nfs/dbraw/zinc/46/69/19/1055466919.db2.gz SQFWUKBAFBVGEF-WTIAFYNJSA-N 1 3 383.580 3.924 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)c(C)c1OC ZINC001321857480 1056421435 /nfs/dbraw/zinc/42/14/35/1056421435.db2.gz OCTVIFGVNLSZBU-LJQANCHMSA-N 1 3 397.563 3.610 20 0 GHADHO CN(C)CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001354963394 1056997227 /nfs/dbraw/zinc/99/72/27/1056997227.db2.gz XCVQEMJHIYPDIL-DEOSSOPVSA-N 1 3 393.575 3.532 20 0 GHADHO CN(C)CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001354963394 1056997231 /nfs/dbraw/zinc/99/72/31/1056997231.db2.gz XCVQEMJHIYPDIL-DEOSSOPVSA-N 1 3 393.575 3.532 20 0 GHADHO [NH2+]=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)NC1CCCC1 ZINC000849000944 1057505739 /nfs/dbraw/zinc/50/57/39/1057505739.db2.gz JZWDVYICLJVMGJ-UHFFFAOYSA-N 1 3 391.563 3.565 20 0 GHADHO CCN(CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1C ZINC000849062833 1057572588 /nfs/dbraw/zinc/57/25/88/1057572588.db2.gz UHPLJRDQIIZCLA-UHFFFAOYSA-N 1 3 393.579 3.600 20 0 GHADHO [NH2+]=C(NC[C@@H]1CCCc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000849069413 1057580253 /nfs/dbraw/zinc/58/02/53/1057580253.db2.gz JWMMXVXUZNDQGB-NRFANRHFSA-N 1 3 376.548 3.885 20 0 GHADHO Cc1cc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000849085643 1057587806 /nfs/dbraw/zinc/58/78/06/1057587806.db2.gz RNWCKFFLLGBTKG-UHFFFAOYSA-N 1 3 384.955 3.969 20 0 GHADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC001446718023 1059839787 /nfs/dbraw/zinc/83/97/87/1059839787.db2.gz WOWAYVMAKGEBBP-OLKYXYMISA-N 1 3 397.607 3.914 20 0 GHADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC001446718023 1059839819 /nfs/dbraw/zinc/83/98/19/1059839819.db2.gz WOWAYVMAKGEBBP-OLKYXYMISA-N 1 3 397.607 3.914 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H](C(C)C)CC2)CC1 ZINC001459513553 1064116851 /nfs/dbraw/zinc/11/68/51/1064116851.db2.gz IRSXBBZEZNMZSK-JOCHJYFZSA-N 1 3 385.596 3.787 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C(C)C)CC2)CC1 ZINC001459513553 1064116860 /nfs/dbraw/zinc/11/68/60/1064116860.db2.gz IRSXBBZEZNMZSK-JOCHJYFZSA-N 1 3 385.596 3.787 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H](CC(C)C)C2)CC1 ZINC001459771856 1064209927 /nfs/dbraw/zinc/20/99/27/1064209927.db2.gz MKGPUBHXIQSTFY-QFIPXVFZSA-N 1 3 385.596 3.787 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CC(C)C)C2)CC1 ZINC001459771856 1064209929 /nfs/dbraw/zinc/20/99/29/1064209929.db2.gz MKGPUBHXIQSTFY-QFIPXVFZSA-N 1 3 385.596 3.787 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3c(F)ccc(C4OCCO4)c3Cl)C[C@H]2C1 ZINC001352114019 1064846329 /nfs/dbraw/zinc/84/63/29/1064846329.db2.gz XMJNVXCVEKSNKO-RBSFLKMASA-N 1 3 382.907 3.687 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)CN(C)C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC001464503593 1065049085 /nfs/dbraw/zinc/04/90/85/1065049085.db2.gz ZZRDXWKYRWKWAP-SFHVURJKSA-N 1 3 385.474 3.689 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+]Cc3cccc(-c4ccccn4)c3)c2)CC1 ZINC001200046271 1065067480 /nfs/dbraw/zinc/06/74/80/1065067480.db2.gz LSCLFYCFNNABLR-UHFFFAOYSA-N 1 3 386.543 3.786 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001464644504 1065134024 /nfs/dbraw/zinc/13/40/24/1065134024.db2.gz UMVGWJIUTFTUOF-UHFFFAOYSA-N 1 3 381.511 3.510 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001464644504 1065134026 /nfs/dbraw/zinc/13/40/26/1065134026.db2.gz UMVGWJIUTFTUOF-UHFFFAOYSA-N 1 3 381.511 3.510 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC001477608502 1078489893 /nfs/dbraw/zinc/48/98/93/1078489893.db2.gz DNHVRFTVCRHZFQ-OMYXNUHHSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)(CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC001468008599 1067562777 /nfs/dbraw/zinc/56/27/77/1067562777.db2.gz VHJVCNOKKNINCA-NRFANRHFSA-N 1 3 386.584 3.777 20 0 GHADHO CC(C)(C)c1csc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000849101638 1067728018 /nfs/dbraw/zinc/72/80/18/1067728018.db2.gz WVZXARQHDVMSGU-UHFFFAOYSA-N 1 3 385.581 3.719 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514795 1068984126 /nfs/dbraw/zinc/98/41/26/1068984126.db2.gz PMWGSMWRSKULHY-FGZHOGPDSA-N 1 3 387.568 3.724 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514795 1068984129 /nfs/dbraw/zinc/98/41/29/1068984129.db2.gz PMWGSMWRSKULHY-FGZHOGPDSA-N 1 3 387.568 3.724 20 0 GHADHO CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001470825209 1072757135 /nfs/dbraw/zinc/75/71/35/1072757135.db2.gz WPYJYENMMIMYDB-PKTZIBPZSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001470825209 1072757144 /nfs/dbraw/zinc/75/71/44/1072757144.db2.gz WPYJYENMMIMYDB-PKTZIBPZSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001470825207 1072757397 /nfs/dbraw/zinc/75/73/97/1072757397.db2.gz WPYJYENMMIMYDB-DHIUTWEWSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001470825207 1072757400 /nfs/dbraw/zinc/75/74/00/1072757400.db2.gz WPYJYENMMIMYDB-DHIUTWEWSA-N 1 3 398.595 3.699 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)cc1 ZINC001471315244 1073014292 /nfs/dbraw/zinc/01/42/92/1073014292.db2.gz PCDQUIRNBZTWRE-HSZRJFAPSA-N 1 3 377.532 3.595 20 0 GHADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001473704965 1074098098 /nfs/dbraw/zinc/09/80/98/1074098098.db2.gz YFKCKVBZAZNEEL-QGZVFWFLSA-N 1 3 377.960 3.667 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC001473935854 1074210113 /nfs/dbraw/zinc/21/01/13/1074210113.db2.gz GADAPTNHWBBHFR-DHLKQENFSA-N 1 3 399.623 3.899 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC001474421156 1074398715 /nfs/dbraw/zinc/39/87/15/1074398715.db2.gz GZQDJWZDRCNUIC-QSRFUDQGSA-N 1 3 376.516 3.669 20 0 GHADHO CC1(C)[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C[C@@H]1OCc1ccccc1 ZINC001474465234 1074417880 /nfs/dbraw/zinc/41/78/80/1074417880.db2.gz LSVADHYSINQLEO-NLMCKWEYSA-N 1 3 386.580 3.993 20 0 GHADHO O[C@H](CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)COCc1ccccc1 ZINC001474651516 1074500177 /nfs/dbraw/zinc/50/01/77/1074500177.db2.gz RNMJTLUSWGJYBB-OJJQZRKESA-N 1 3 394.559 3.597 20 0 GHADHO FC1(F)CCN(c2cc3[nH]ccc3c[nH+]2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905539 721587212 /nfs/dbraw/zinc/58/72/12/721587212.db2.gz JTESGAMWYNQJSX-FQEVSTJZSA-N 1 3 383.446 3.696 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414393238 837679465 /nfs/dbraw/zinc/67/94/65/837679465.db2.gz NLQPELAZFJDYQR-HTAPYJJXSA-N 1 3 388.531 3.546 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]CCc2nc3c(cccc3C)o2)CC1 ZINC000088737867 834571002 /nfs/dbraw/zinc/57/10/02/834571002.db2.gz LODWVOOKTVKFHF-UHFFFAOYSA-N 1 3 378.520 3.610 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC3(C2)CCCCC3)CC1 ZINC000579775842 834636610 /nfs/dbraw/zinc/63/66/10/834636610.db2.gz VJQAKPHRVVHBIU-UHFFFAOYSA-N 1 3 383.580 3.732 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650724860 834717636 /nfs/dbraw/zinc/71/76/36/834717636.db2.gz NOXKPHLRHDJEJL-NNWRFLSQSA-N 1 3 380.536 3.710 20 0 GHADHO C[C@@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511286077 834994957 /nfs/dbraw/zinc/99/49/57/834994957.db2.gz LCEHQYDZHMVXIE-FGNUKQJGSA-N 1 3 390.616 3.545 20 0 GHADHO C[C@@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511286077 834994965 /nfs/dbraw/zinc/99/49/65/834994965.db2.gz LCEHQYDZHMVXIE-FGNUKQJGSA-N 1 3 390.616 3.545 20 0 GHADHO Cc1ccc(-c2ncc(CN(C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)s2)cc1 ZINC000685457401 835022534 /nfs/dbraw/zinc/02/25/34/835022534.db2.gz BLWBIICNGMWETC-FQEVSTJZSA-N 1 3 384.593 3.719 20 0 GHADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(N(C)c2ccccc2)cc1 ZINC000685454661 835026154 /nfs/dbraw/zinc/02/61/54/835026154.db2.gz PFHOXZKEJRYDCG-UHFFFAOYSA-N 1 3 380.580 3.912 20 0 GHADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(N(C)c2ccccc2)cc1 ZINC000685454661 835026164 /nfs/dbraw/zinc/02/61/64/835026164.db2.gz PFHOXZKEJRYDCG-UHFFFAOYSA-N 1 3 380.580 3.912 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3cc(Cl)ccc3C)CC2)CC1 ZINC000655114143 835173295 /nfs/dbraw/zinc/17/32/95/835173295.db2.gz UOIOMWZYIQIDFY-UHFFFAOYSA-N 1 3 377.960 3.808 20 0 GHADHO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(-n2ccnc2)c1 ZINC000583886752 835196368 /nfs/dbraw/zinc/19/63/68/835196368.db2.gz ALVKUJQTRFODKD-GBXCKJPGSA-N 1 3 390.531 3.814 20 0 GHADHO C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(-n2ccnc2)c1 ZINC000583886752 835196373 /nfs/dbraw/zinc/19/63/73/835196373.db2.gz ALVKUJQTRFODKD-GBXCKJPGSA-N 1 3 390.531 3.814 20 0 GHADHO NC(=O)c1csc(CNCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000132408017 835335316 /nfs/dbraw/zinc/33/53/16/835335316.db2.gz ICRWKRNKWQCGQB-UHFFFAOYSA-N 1 3 385.577 3.672 20 0 GHADHO Brc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000132801280 835424412 /nfs/dbraw/zinc/42/44/12/835424412.db2.gz QNMXAJVHWKVIAX-IFXJQAMLSA-N 1 3 379.342 3.527 20 0 GHADHO COC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)c(F)c1 ZINC000658164322 835480771 /nfs/dbraw/zinc/48/07/71/835480771.db2.gz CMSJHLVTBKYSLA-NRFANRHFSA-N 1 3 375.463 3.549 20 0 GHADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000658165724 835481460 /nfs/dbraw/zinc/48/14/60/835481460.db2.gz KYBYTKLDOWBUBT-NRFANRHFSA-N 1 3 381.520 3.806 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)CC1 ZINC000584240651 835800970 /nfs/dbraw/zinc/80/09/70/835800970.db2.gz NPEWWNGVVSXFEE-UHFFFAOYSA-N 1 3 397.485 3.518 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C3=CCCCC3)CC2)CC1 ZINC000569942152 836194384 /nfs/dbraw/zinc/19/43/84/836194384.db2.gz YYZQIIGYDKUCKK-UHFFFAOYSA-N 1 3 375.601 3.826 20 0 GHADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000275115742 836300981 /nfs/dbraw/zinc/30/09/81/836300981.db2.gz YXVQVKLYSFMRBR-AZUAARDMSA-N 1 3 397.567 3.744 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H](c4ccccc4C)C3)CC2)CC1 ZINC000570294351 836657122 /nfs/dbraw/zinc/65/71/22/836657122.db2.gz UOLDHDNDYQYHFE-MEMLXQNLSA-N 1 3 383.580 3.554 20 0 GHADHO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000376064081 836733247 /nfs/dbraw/zinc/73/32/47/836733247.db2.gz BKRBUQUREQUOQB-UHFFFAOYSA-N 1 3 392.975 3.659 20 0 GHADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476561 837002305 /nfs/dbraw/zinc/00/23/05/837002305.db2.gz JIQWRXYBZXMXOF-NHCUHLMSSA-N 1 3 391.559 3.819 20 0 GHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476561 837002316 /nfs/dbraw/zinc/00/23/16/837002316.db2.gz JIQWRXYBZXMXOF-NHCUHLMSSA-N 1 3 391.559 3.819 20 0 GHADHO Cc1cnn(CCCCC[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177504072 837985708 /nfs/dbraw/zinc/98/57/08/837985708.db2.gz MBHWOHPQFMCABT-SFTDATJTSA-N 1 3 376.589 3.573 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)Nc3cccc(C[NH2+]C)c3)c(C)c2)CC1 ZINC000415920822 838271510 /nfs/dbraw/zinc/27/15/10/838271510.db2.gz PUIHPUZJQKWQMH-UHFFFAOYSA-N 1 3 381.524 3.500 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312589875 838274015 /nfs/dbraw/zinc/27/40/15/838274015.db2.gz DMDJEWPEIDHFSD-UYAOXDASSA-N 1 3 386.561 3.653 20 0 GHADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC000415928399 838285430 /nfs/dbraw/zinc/28/54/30/838285430.db2.gz HKMQAMJBKGQMIG-NRFANRHFSA-N 1 3 384.524 3.618 20 0 GHADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Oc2ccccc2)cn1 ZINC000651228256 838292707 /nfs/dbraw/zinc/29/27/07/838292707.db2.gz DRVDWWSRXFSHHO-RBUKOAKNSA-N 1 3 380.536 3.693 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1)C(C)C ZINC000659368637 838333826 /nfs/dbraw/zinc/33/38/26/838333826.db2.gz MKHPWBDMSLWRFT-JOCHJYFZSA-N 1 3 381.520 3.830 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1)C(C)C ZINC000659368637 838333834 /nfs/dbraw/zinc/33/38/34/838333834.db2.gz MKHPWBDMSLWRFT-JOCHJYFZSA-N 1 3 381.520 3.830 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3cccc4ccccc43)CC2)CC1 ZINC000107578659 838782367 /nfs/dbraw/zinc/78/23/67/838782367.db2.gz GGDIAAPLYQRNCV-DNQXCXABSA-N 1 3 391.559 3.618 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182407868 839061736 /nfs/dbraw/zinc/06/17/36/839061736.db2.gz MHOXAFVCFXEGII-IBGZPJMESA-N 1 3 383.552 3.996 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127318 839236339 /nfs/dbraw/zinc/23/63/39/839236339.db2.gz QYJIWUNPTWJZNT-FPOVZHCZSA-N 1 3 376.541 3.592 20 0 GHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c(Cl)cccc3N3CCCC3)CC2)C1 ZINC000415119898 839238607 /nfs/dbraw/zinc/23/86/07/839238607.db2.gz FTBODVHMNJIMRE-UTKZUKDTSA-N 1 3 377.960 3.659 20 0 GHADHO CCCCOc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415128924 839255258 /nfs/dbraw/zinc/25/52/58/839255258.db2.gz SSQXJLUURNEWQE-TZIWHRDSSA-N 1 3 376.541 3.592 20 0 GHADHO C[C@H](C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(F)cc1 ZINC000127946565 840622564 /nfs/dbraw/zinc/62/25/64/840622564.db2.gz CXFRKJHKBWONTB-GOSISDBHSA-N 1 3 383.511 3.545 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000584742373 840713571 /nfs/dbraw/zinc/71/35/71/840713571.db2.gz VGGZHLAYSPZUIP-NQIIRXRSSA-N 1 3 383.536 3.737 20 0 GHADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@@H]1OCCc2ccccc21 ZINC000511623732 840818514 /nfs/dbraw/zinc/81/85/14/840818514.db2.gz AQWDXZFUILFGIZ-VWLOTQADSA-N 1 3 393.575 3.963 20 0 GHADHO COc1cc(OC)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000178040005 861297824 /nfs/dbraw/zinc/29/78/24/861297824.db2.gz CUEKLKUCJYMSGH-XHSDSOJGSA-N 1 3 384.948 3.897 20 0 GHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000247202794 842657247 /nfs/dbraw/zinc/65/72/47/842657247.db2.gz VDQFYRKUYZTFNH-UNIGVISCSA-N 1 3 390.881 3.651 20 0 GHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000247202794 842657253 /nfs/dbraw/zinc/65/72/53/842657253.db2.gz VDQFYRKUYZTFNH-UNIGVISCSA-N 1 3 390.881 3.651 20 0 GHADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000471851066 842844664 /nfs/dbraw/zinc/84/46/64/842844664.db2.gz OTFRRIWPIYWJMI-DENIHFKCSA-N 1 3 383.511 3.826 20 0 GHADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000471851066 842844672 /nfs/dbraw/zinc/84/46/72/842844672.db2.gz OTFRRIWPIYWJMI-DENIHFKCSA-N 1 3 383.511 3.826 20 0 GHADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1CCC(=O)Nc1ccccc1F ZINC000471851066 842844682 /nfs/dbraw/zinc/84/46/82/842844682.db2.gz OTFRRIWPIYWJMI-DENIHFKCSA-N 1 3 383.511 3.826 20 0 GHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCS2 ZINC000187347966 842995839 /nfs/dbraw/zinc/99/58/39/842995839.db2.gz GGUVAAXATNGSPA-NRFANRHFSA-N 1 3 397.588 3.922 20 0 GHADHO Cc1cc2c(cc1C)[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCS2 ZINC000187347982 842995868 /nfs/dbraw/zinc/99/58/68/842995868.db2.gz GGUVAAXATNGSPA-OAQYLSRUSA-N 1 3 397.588 3.922 20 0 GHADHO COc1cc(CN(C)CC2=CCSC2)cc(C[N@H+](C)CC2=CCSC2)c1 ZINC000662267318 843039261 /nfs/dbraw/zinc/03/92/61/843039261.db2.gz SVEFBNVIZRNEEN-UHFFFAOYSA-N 1 3 390.618 3.905 20 0 GHADHO COc1cc(CN(C)CC2=CCSC2)cc(C[N@@H+](C)CC2=CCSC2)c1 ZINC000662267318 843039273 /nfs/dbraw/zinc/03/92/73/843039273.db2.gz SVEFBNVIZRNEEN-UHFFFAOYSA-N 1 3 390.618 3.905 20 0 GHADHO COc1cc(Br)c(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1OC ZINC000662312731 843122817 /nfs/dbraw/zinc/12/28/17/843122817.db2.gz COGXAJGRUKVJAR-CZUORRHYSA-N 1 3 385.346 3.806 20 0 GHADHO FC(F)(F)c1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)nc1 ZINC000662328227 843155806 /nfs/dbraw/zinc/15/58/06/843155806.db2.gz ZSXKYRURIPUEKN-UHFFFAOYSA-N 1 3 393.457 3.670 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662388915 843185302 /nfs/dbraw/zinc/18/53/02/843185302.db2.gz QERLRAPKGAHMDE-MBSDFSHPSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662388915 843185308 /nfs/dbraw/zinc/18/53/08/843185308.db2.gz QERLRAPKGAHMDE-MBSDFSHPSA-N 1 3 377.532 3.769 20 0 GHADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662505765 843350445 /nfs/dbraw/zinc/35/04/45/843350445.db2.gz QLUIFPOXZHKSRJ-SFTDATJTSA-N 1 3 397.567 3.588 20 0 GHADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662501933 843354593 /nfs/dbraw/zinc/35/45/93/843354593.db2.gz HMZANAYPQDJVKY-AAIMPIBUSA-N 1 3 377.532 3.905 20 0 GHADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662501933 843354602 /nfs/dbraw/zinc/35/46/02/843354602.db2.gz HMZANAYPQDJVKY-AAIMPIBUSA-N 1 3 377.532 3.905 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000302947308 861419968 /nfs/dbraw/zinc/41/99/68/861419968.db2.gz CBJIZBIWERWWLH-QHCPKHFHSA-N 1 3 394.563 3.515 20 0 GHADHO C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H](c1ccccc1)N(C)C ZINC000500670365 843801989 /nfs/dbraw/zinc/80/19/89/843801989.db2.gz UNXPQNBBKOKPRR-DZOHQFGASA-N 1 3 399.501 3.703 20 0 GHADHO C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H](c1ccccc1)N(C)C ZINC000500670365 843801996 /nfs/dbraw/zinc/80/19/96/843801996.db2.gz UNXPQNBBKOKPRR-DZOHQFGASA-N 1 3 399.501 3.703 20 0 GHADHO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)oc1C ZINC000433199828 843823093 /nfs/dbraw/zinc/82/30/93/843823093.db2.gz MXRAGOYNCLXOJI-FFZOFVMBSA-N 1 3 382.504 3.890 20 0 GHADHO COC(=O)c1cc([C@H](C)[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)oc1C ZINC000433199828 843823098 /nfs/dbraw/zinc/82/30/98/843823098.db2.gz MXRAGOYNCLXOJI-FFZOFVMBSA-N 1 3 382.504 3.890 20 0 GHADHO CCN1CCN(c2ccccc2CNc2cccc3c2OCC[C@@H]3[NH+](C)C)CC1 ZINC000433202592 843825579 /nfs/dbraw/zinc/82/55/79/843825579.db2.gz RUCKQIVNPVLXQR-QHCPKHFHSA-N 1 3 394.563 3.826 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)NC1CCCCC1 ZINC000512621180 844765573 /nfs/dbraw/zinc/76/55/73/844765573.db2.gz VGTCXSDSQOAKIA-YMPZKCBVSA-N 1 3 383.580 3.716 20 0 GHADHO Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CCC2 ZINC000512624205 844817855 /nfs/dbraw/zinc/81/78/55/844817855.db2.gz ICEKSZASGGVYNB-CWBXHPNXSA-N 1 3 378.564 3.959 20 0 GHADHO C[C@@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512704109 845100385 /nfs/dbraw/zinc/10/03/85/845100385.db2.gz WVZWDJRZMXITKN-TZIWHRDSSA-N 1 3 392.632 3.793 20 0 GHADHO C[C@@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512704109 845100393 /nfs/dbraw/zinc/10/03/93/845100393.db2.gz WVZWDJRZMXITKN-TZIWHRDSSA-N 1 3 392.632 3.793 20 0 GHADHO CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000731466421 861639208 /nfs/dbraw/zinc/63/92/08/861639208.db2.gz QSIUPUGJQGULLA-JOCHJYFZSA-N 1 3 377.532 3.806 20 0 GHADHO OC1(CNCc2cc(C(F)(F)F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000414546513 846507714 /nfs/dbraw/zinc/50/77/14/846507714.db2.gz GPHWXAMDYGBRFX-UHFFFAOYSA-N 1 3 396.428 3.961 20 0 GHADHO CC(C)N(Cc1ccccc1)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501030259 846548140 /nfs/dbraw/zinc/54/81/40/846548140.db2.gz VFHJWIIZIYAQNB-UHFFFAOYSA-N 1 3 394.563 3.667 20 0 GHADHO O[C@H](CCc1ccccc1)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554583 846608435 /nfs/dbraw/zinc/60/84/35/846608435.db2.gz RIUBBPAFWWLDNH-JWQCQUIFSA-N 1 3 378.560 3.968 20 0 GHADHO O[C@H](CCc1ccccc1)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554583 846608440 /nfs/dbraw/zinc/60/84/40/846608440.db2.gz RIUBBPAFWWLDNH-JWQCQUIFSA-N 1 3 378.560 3.968 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccsc1 ZINC000501118080 846664815 /nfs/dbraw/zinc/66/48/15/846664815.db2.gz PQNRAPGNGNCQEA-HXUWFJFHSA-N 1 3 392.613 3.791 20 0 GHADHO Cc1nc2cc(NCc3nc4c(s3)C[N@H+](C(C)C)CC4)ccc2n1[C@@H](C)CO ZINC000419758440 846778846 /nfs/dbraw/zinc/77/88/46/846778846.db2.gz DWVBRZKLBCAQRJ-AWEZNQCLSA-N 1 3 399.564 3.733 20 0 GHADHO Cc1nc2cc(NCc3nc4c(s3)C[N@@H+](C(C)C)CC4)ccc2n1[C@@H](C)CO ZINC000419758440 846778852 /nfs/dbraw/zinc/77/88/52/846778852.db2.gz DWVBRZKLBCAQRJ-AWEZNQCLSA-N 1 3 399.564 3.733 20 0 GHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCN(C)Cc1ccccc1)c1ccccc1 ZINC000503093060 846806509 /nfs/dbraw/zinc/80/65/09/846806509.db2.gz WUMFKSRXFZRHRW-IBGZPJMESA-N 1 3 382.552 3.547 20 0 GHADHO C[C@@H]1C[C@@H]([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168044707 861754541 /nfs/dbraw/zinc/75/45/41/861754541.db2.gz GRGOHDGKIJQDCX-RMFSNUHRSA-N 1 3 387.568 3.885 20 0 GHADHO COc1ccc([C@@H](C[NH3+])CN(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1 ZINC000420327281 847126173 /nfs/dbraw/zinc/12/61/73/847126173.db2.gz YCZRIVXIXCMQIF-IBGZPJMESA-N 1 3 396.510 3.831 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC000513774217 847147760 /nfs/dbraw/zinc/14/77/60/847147760.db2.gz WOMBOVAXPBMVRP-WMZHIEFXSA-N 1 3 379.548 3.921 20 0 GHADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000582544516 847528227 /nfs/dbraw/zinc/52/82/27/847528227.db2.gz REKXXHVWVAOVEK-SJLPKXTDSA-N 1 3 399.501 3.621 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3nc(-c4ccccc4)cs3)CC2)CC1 ZINC000420971979 847599826 /nfs/dbraw/zinc/59/98/26/847599826.db2.gz ADXJSHSNPQHWMV-UHFFFAOYSA-N 1 3 384.593 3.802 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3nc(-c4ccccc4)cs3)CC2)CC1 ZINC000420971979 847599833 /nfs/dbraw/zinc/59/98/33/847599833.db2.gz ADXJSHSNPQHWMV-UHFFFAOYSA-N 1 3 384.593 3.802 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361088 847639490 /nfs/dbraw/zinc/63/94/90/847639490.db2.gz LGYPAEINDYUCFU-CEWLAPEOSA-N 1 3 398.551 3.530 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361088 847639499 /nfs/dbraw/zinc/63/94/99/847639499.db2.gz LGYPAEINDYUCFU-CEWLAPEOSA-N 1 3 398.551 3.530 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790543 847745734 /nfs/dbraw/zinc/74/57/34/847745734.db2.gz ZJQHWQFWVVDDSC-RTWAWAEBSA-N 1 3 399.579 3.745 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790543 847745736 /nfs/dbraw/zinc/74/57/36/847745736.db2.gz ZJQHWQFWVVDDSC-RTWAWAEBSA-N 1 3 399.579 3.745 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N)N1CCCCC1 ZINC000422719516 847795069 /nfs/dbraw/zinc/79/50/69/847795069.db2.gz YJIIQJHXIQCMIO-PTUXOGIPSA-N 1 3 381.564 3.770 20 0 GHADHO COc1ccccc1[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCCCC1 ZINC000422719516 847795075 /nfs/dbraw/zinc/79/50/75/847795075.db2.gz YJIIQJHXIQCMIO-PTUXOGIPSA-N 1 3 381.564 3.770 20 0 GHADHO FC(F)(F)COc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800953 847829067 /nfs/dbraw/zinc/82/90/67/847829067.db2.gz DINCUBBIASBQHZ-QUCCMNQESA-N 1 3 392.421 3.973 20 0 GHADHO Fc1ccc([C@@H]2OCC[C@@H]2N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000423016841 847938409 /nfs/dbraw/zinc/93/84/09/847938409.db2.gz NJXNOAULYNZYFA-MXNKGDRCSA-N 1 3 386.442 3.640 20 0 GHADHO Clc1ccc(-c2nc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000423016492 847938494 /nfs/dbraw/zinc/93/84/94/847938494.db2.gz TVAHJSYCOSOTED-GUDVDZBRSA-N 1 3 391.968 3.753 20 0 GHADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056587 847956169 /nfs/dbraw/zinc/95/61/69/847956169.db2.gz YOSVUGPJFJMHDD-YSSFQJQWSA-N 1 3 379.470 3.856 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056587 847956177 /nfs/dbraw/zinc/95/61/77/847956177.db2.gz YOSVUGPJFJMHDD-YSSFQJQWSA-N 1 3 379.470 3.856 20 0 GHADHO Clc1cccc(N2CCCC2)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657535608 848121605 /nfs/dbraw/zinc/12/16/05/848121605.db2.gz PWEBIEAWWHSFIL-UHFFFAOYSA-N 1 3 391.987 3.921 20 0 GHADHO CC1CC[NH+](CCCNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604161752 861879191 /nfs/dbraw/zinc/87/91/91/861879191.db2.gz MQNSGOGYFFPPJY-QFIPXVFZSA-N 1 3 386.584 3.635 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cnc(-c4ccccc4F)s3)cc2)C1 ZINC000657596558 848280976 /nfs/dbraw/zinc/28/09/76/848280976.db2.gz OFDMPEVONPCYCK-GOSISDBHSA-N 1 3 397.519 3.806 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cnc(-c4ccccc4F)s3)cc2)C1 ZINC000657596558 848280986 /nfs/dbraw/zinc/28/09/86/848280986.db2.gz OFDMPEVONPCYCK-GOSISDBHSA-N 1 3 397.519 3.806 20 0 GHADHO Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(-c2ccnn2C)c1 ZINC000657612622 848326112 /nfs/dbraw/zinc/32/61/12/848326112.db2.gz BMBBPETWHQOILX-UHFFFAOYSA-N 1 3 389.547 3.792 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)N(C)C)cc1 ZINC000604184406 861909231 /nfs/dbraw/zinc/90/92/31/861909231.db2.gz RRVUXXGTUANQHQ-QHCPKHFHSA-N 1 3 396.579 3.680 20 0 GHADHO CC[NH+]1CCN(Cc2ccc(CN[C@H](C)c3nc4ccccc4n3C)cc2)CC1 ZINC000180022690 861909825 /nfs/dbraw/zinc/90/98/25/861909825.db2.gz TTYOURUSUWJAOI-LJQANCHMSA-N 1 3 391.563 3.562 20 0 GHADHO C[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000604170992 861923511 /nfs/dbraw/zinc/92/35/11/861923511.db2.gz HVKIGDZJZLEGCJ-KCZVDYSFSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000604170992 861923528 /nfs/dbraw/zinc/92/35/28/861923528.db2.gz HVKIGDZJZLEGCJ-KCZVDYSFSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604179992 861937520 /nfs/dbraw/zinc/93/75/20/861937520.db2.gz YPAKVPGHNWVBAH-SJBKTWHCSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604179992 861937531 /nfs/dbraw/zinc/93/75/31/861937531.db2.gz YPAKVPGHNWVBAH-SJBKTWHCSA-N 1 3 386.584 3.633 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000604202148 861940331 /nfs/dbraw/zinc/94/03/31/861940331.db2.gz PZIYDLVGXNZPMK-XZOQPEGZSA-N 1 3 398.595 3.874 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000604202145 861940377 /nfs/dbraw/zinc/94/03/77/861940377.db2.gz PZIYDLVGXNZPMK-DHIUTWEWSA-N 1 3 398.595 3.874 20 0 GHADHO COCCC[NH+]1CCC(N[C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180083874 861943194 /nfs/dbraw/zinc/94/31/94/861943194.db2.gz SBVSHBQHMLUORV-IBGZPJMESA-N 1 3 381.358 3.991 20 0 GHADHO CCC[NH+]1CCC(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604188183 861948569 /nfs/dbraw/zinc/94/85/69/861948569.db2.gz GYWMDHSOAVITKO-QFIPXVFZSA-N 1 3 386.584 3.635 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193629 861959268 /nfs/dbraw/zinc/95/92/68/861959268.db2.gz DWAPHFRDPWOVBS-IFMALSPDSA-N 1 3 386.584 3.633 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193629 861959272 /nfs/dbraw/zinc/95/92/72/861959272.db2.gz DWAPHFRDPWOVBS-IFMALSPDSA-N 1 3 386.584 3.633 20 0 GHADHO CCN1CCO[C@@H](CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000423100790 849743710 /nfs/dbraw/zinc/74/37/10/849743710.db2.gz HMTGSTUIGCIHIM-ZJZGAYNASA-N 1 3 379.548 3.531 20 0 GHADHO C[C@]1(CN[C@H](c2cccc(Br)c2)C2CCOCC2)CCC[NH2+]C1 ZINC000423329138 849869016 /nfs/dbraw/zinc/86/90/16/849869016.db2.gz DYOCLOXUACEYKF-OALUTQOASA-N 1 3 381.358 3.896 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000423340651 849874347 /nfs/dbraw/zinc/87/43/47/849874347.db2.gz SUSAEWFXFMUOOV-VOQZNFBZSA-N 1 3 398.547 3.687 20 0 GHADHO COC(=O)c1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000894303067 849909480 /nfs/dbraw/zinc/90/94/80/849909480.db2.gz XNSZCNJHHWOLPY-UHFFFAOYSA-N 1 3 382.504 3.544 20 0 GHADHO O=C(CNC1(c2ccc(Cl)cc2)CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000439720807 850322890 /nfs/dbraw/zinc/32/28/90/850322890.db2.gz HYWUETXQAZOSOD-UHFFFAOYSA-N 1 3 389.971 3.832 20 0 GHADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000426486276 850365032 /nfs/dbraw/zinc/36/50/32/850365032.db2.gz PAURRHFQDGHYLR-NEWSRXKRSA-N 1 3 399.501 3.791 20 0 GHADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000426486276 850365047 /nfs/dbraw/zinc/36/50/47/850365047.db2.gz PAURRHFQDGHYLR-NEWSRXKRSA-N 1 3 399.501 3.791 20 0 GHADHO COc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1OCc1cccnc1 ZINC000435378553 850442579 /nfs/dbraw/zinc/44/25/79/850442579.db2.gz FBFWNIGSNZTZLJ-OAQYLSRUSA-N 1 3 381.520 3.633 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(Cc4ccccc4)CCCC3)CC2)CC1 ZINC000518998040 850462032 /nfs/dbraw/zinc/46/20/32/850462032.db2.gz DYVKPZAIVZTMGV-UHFFFAOYSA-N 1 3 397.607 3.854 20 0 GHADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000519077507 850575344 /nfs/dbraw/zinc/57/53/44/850575344.db2.gz ITTZNKGUTMIPSU-QZTJIDSGSA-N 1 3 380.602 3.551 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000414827863 850813595 /nfs/dbraw/zinc/81/35/95/850813595.db2.gz KTOWTIBTGJPYPW-VXGBXAGGSA-N 1 3 377.838 3.665 20 0 GHADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCN3C3CCCC3)cc2)C1 ZINC000440259920 850973940 /nfs/dbraw/zinc/97/39/40/850973940.db2.gz MJRCPTWWESTYME-AVRDEDQJSA-N 1 3 385.552 3.753 20 0 GHADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCN3C3CCCC3)cc2)C1 ZINC000440259920 850973949 /nfs/dbraw/zinc/97/39/49/850973949.db2.gz MJRCPTWWESTYME-AVRDEDQJSA-N 1 3 385.552 3.753 20 0 GHADHO NC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000515462403 851051092 /nfs/dbraw/zinc/05/10/92/851051092.db2.gz NDGILQYLYCXJPZ-BDTNDASRSA-N 1 3 378.520 3.710 20 0 GHADHO CC[NH+]1CCN(Cc2ccc(CNCc3cnc(C(F)(F)F)s3)cc2)CC1 ZINC000443956833 862255133 /nfs/dbraw/zinc/25/51/33/862255133.db2.gz AFWYORIPKGNURA-UHFFFAOYSA-N 1 3 398.498 3.589 20 0 GHADHO COCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000517509630 852026458 /nfs/dbraw/zinc/02/64/58/852026458.db2.gz NVKGWLVLGPWYRV-YTFSRNRJSA-N 1 3 395.547 3.640 20 0 GHADHO CC(=O)NC1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000516032766 852090048 /nfs/dbraw/zinc/09/00/48/852090048.db2.gz COMFCFAELOCGDY-XCYMCMSUSA-N 1 3 383.580 3.714 20 0 GHADHO CN(Cc1cc2ccnc(Cl)c2s1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894768955 852135057 /nfs/dbraw/zinc/13/50/57/852135057.db2.gz AEQRHSDSOQICPR-INIZCTEOSA-N 1 3 378.973 3.550 20 0 GHADHO CN(Cc1cc2ccnc(Cl)c2s1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894768955 852135062 /nfs/dbraw/zinc/13/50/62/852135062.db2.gz AEQRHSDSOQICPR-INIZCTEOSA-N 1 3 378.973 3.550 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCCc3cc(N)ccc32)CC1 ZINC000414938192 852649284 /nfs/dbraw/zinc/64/92/84/852649284.db2.gz WEGUOLUXAAAGNR-QHCPKHFHSA-N 1 3 378.564 3.968 20 0 GHADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1cc(Cl)ccc1Cl ZINC000516563476 852726183 /nfs/dbraw/zinc/72/61/83/852726183.db2.gz JEUCOPSETYPHSR-QGZVFWFLSA-N 1 3 387.351 3.730 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000516582454 852750546 /nfs/dbraw/zinc/75/05/46/852750546.db2.gz GVNWPFRODJYYJT-JOCHJYFZSA-N 1 3 387.543 3.516 20 0 GHADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000507393050 852855310 /nfs/dbraw/zinc/85/53/10/852855310.db2.gz VSYROSZZOWZTPC-RBUKOAKNSA-N 1 3 392.613 3.552 20 0 GHADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000507393050 852855319 /nfs/dbraw/zinc/85/53/19/852855319.db2.gz VSYROSZZOWZTPC-RBUKOAKNSA-N 1 3 392.613 3.552 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[C@@H]2C1 ZINC001167986331 853024761 /nfs/dbraw/zinc/02/47/61/853024761.db2.gz DCPURIDWRYPIPH-APISQKPESA-N 1 3 389.584 3.581 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[C@@H]2C1 ZINC001167986331 853024767 /nfs/dbraw/zinc/02/47/67/853024767.db2.gz DCPURIDWRYPIPH-APISQKPESA-N 1 3 389.584 3.581 20 0 GHADHO C[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167986877 853173105 /nfs/dbraw/zinc/17/31/05/853173105.db2.gz HXIPMMUWZUAYJN-WCRBZPEASA-N 1 3 391.600 3.971 20 0 GHADHO C[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167986877 853173113 /nfs/dbraw/zinc/17/31/13/853173113.db2.gz HXIPMMUWZUAYJN-WCRBZPEASA-N 1 3 391.600 3.971 20 0 GHADHO O=C(c1ccsc1)N1CCC[C@@]2(CCN(C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168377052 853407244 /nfs/dbraw/zinc/40/72/44/853407244.db2.gz AKHPBYINEAQOHZ-QFIPXVFZSA-N 1 3 387.593 3.551 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3(N4CCOCC4)CCCC3)cc2)C1 ZINC000519845694 853539401 /nfs/dbraw/zinc/53/94/01/853539401.db2.gz JUXHMJJSLLJYSW-FQEVSTJZSA-N 1 3 399.579 3.892 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3(N4CCOCC4)CCCC3)cc2)C1 ZINC000519845694 853539407 /nfs/dbraw/zinc/53/94/07/853539407.db2.gz JUXHMJJSLLJYSW-FQEVSTJZSA-N 1 3 399.579 3.892 20 0 GHADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000571789561 854156155 /nfs/dbraw/zinc/15/61/55/854156155.db2.gz RIAUZCJGKLLFGU-BRWVUGGUSA-N 1 3 394.357 3.596 20 0 GHADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000571811834 854165246 /nfs/dbraw/zinc/16/52/46/854165246.db2.gz ZSUVDQCAVKOOJK-KZKAQZJJSA-N 1 3 383.580 3.620 20 0 GHADHO CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H]1c1ccccc1 ZINC000536263643 854165255 /nfs/dbraw/zinc/16/52/55/854165255.db2.gz LKZKTJKKSWRSMC-ACIOBRDBSA-N 1 3 395.522 3.599 20 0 GHADHO CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H]1c1ccccc1 ZINC000536263643 854165264 /nfs/dbraw/zinc/16/52/64/854165264.db2.gz LKZKTJKKSWRSMC-ACIOBRDBSA-N 1 3 395.522 3.599 20 0 GHADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000571811834 854165253 /nfs/dbraw/zinc/16/52/53/854165253.db2.gz ZSUVDQCAVKOOJK-KZKAQZJJSA-N 1 3 383.580 3.620 20 0 GHADHO O[C@H](CNCc1cccc(C[NH+]2CCCCCC2)c1)COCc1cccs1 ZINC000571908887 854184201 /nfs/dbraw/zinc/18/42/01/854184201.db2.gz JZMGLNZIYQIJIF-OAQYLSRUSA-N 1 3 388.577 3.791 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016623 854335124 /nfs/dbraw/zinc/33/51/24/854335124.db2.gz ZVLMCLDFFKAKHB-QRVBRYPASA-N 1 3 378.520 3.794 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016623 854335126 /nfs/dbraw/zinc/33/51/26/854335126.db2.gz ZVLMCLDFFKAKHB-QRVBRYPASA-N 1 3 378.520 3.794 20 0 GHADHO CN1CCN(c2ncccc2C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189088640 855004514 /nfs/dbraw/zinc/00/45/14/855004514.db2.gz BYXKSSUTXRGBBL-UHFFFAOYSA-N 1 3 398.860 3.795 20 0 GHADHO CCCN1CCC([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000624106283 862659367 /nfs/dbraw/zinc/65/93/67/862659367.db2.gz VOQZZZVXSYVXBF-QHCPKHFHSA-N 1 3 377.532 3.848 20 0 GHADHO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)C1 ZINC000186441153 855511308 /nfs/dbraw/zinc/51/13/08/855511308.db2.gz DHUTUTIIMPLLDM-FXAWDEMLSA-N 1 3 389.540 3.563 20 0 GHADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000573244341 856021381 /nfs/dbraw/zinc/02/13/81/856021381.db2.gz BLFRSBSOCJERGK-SESVDKBCSA-N 1 3 395.513 3.903 20 0 GHADHO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567889788 862759893 /nfs/dbraw/zinc/75/98/93/862759893.db2.gz USMLNYHOGYTKKH-NRSPTQNISA-N 1 3 393.531 3.524 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)N2CCCC2)cc1 ZINC000465820659 856127237 /nfs/dbraw/zinc/12/72/37/856127237.db2.gz WVYWVYSOALTFET-XPWALMASSA-N 1 3 398.595 3.789 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)N2CCCC2)cc1 ZINC000465820659 856127248 /nfs/dbraw/zinc/12/72/48/856127248.db2.gz WVYWVYSOALTFET-XPWALMASSA-N 1 3 398.595 3.789 20 0 GHADHO Brc1cccc(-c2cnc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573447657 856130811 /nfs/dbraw/zinc/13/08/11/856130811.db2.gz DQWKZTNLMHLILK-HZPDHXFCSA-N 1 3 390.325 3.926 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000058861494 857371285 /nfs/dbraw/zinc/37/12/85/857371285.db2.gz LEEDBNMMOGXYRR-OAQYLSRUSA-N 1 3 389.559 3.617 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000058861494 857371294 /nfs/dbraw/zinc/37/12/94/857371294.db2.gz LEEDBNMMOGXYRR-OAQYLSRUSA-N 1 3 389.559 3.617 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1)C(C)C ZINC000675491874 857461805 /nfs/dbraw/zinc/46/18/05/857461805.db2.gz TVZNMXCCVUQEBS-OAQYLSRUSA-N 1 3 395.547 3.886 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1)C(C)C ZINC000675491874 857461810 /nfs/dbraw/zinc/46/18/10/857461810.db2.gz TVZNMXCCVUQEBS-OAQYLSRUSA-N 1 3 395.547 3.886 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672555556 857465383 /nfs/dbraw/zinc/46/53/83/857465383.db2.gz LOBVYZQNVWMFLU-VAMGGRTRSA-N 1 3 392.975 3.649 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672555556 857465386 /nfs/dbraw/zinc/46/53/86/857465386.db2.gz LOBVYZQNVWMFLU-VAMGGRTRSA-N 1 3 392.975 3.649 20 0 GHADHO COc1ccc([C@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000675882877 857660246 /nfs/dbraw/zinc/66/02/46/857660246.db2.gz UKYYSWXGLZUHMW-WMLDXEAASA-N 1 3 397.357 3.752 20 0 GHADHO C[C@H](N[C@H](Cc1nccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000675921657 857666174 /nfs/dbraw/zinc/66/61/74/857666174.db2.gz MQERUKZGCRMRMR-WMZHIEFXSA-N 1 3 392.547 3.995 20 0 GHADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCN(CC2CCCCC2)CC1 ZINC000065444239 857797268 /nfs/dbraw/zinc/79/72/68/857797268.db2.gz SMBATMKEBNTLIB-UHFFFAOYSA-N 1 3 398.595 3.690 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000672884653 857816791 /nfs/dbraw/zinc/81/67/91/857816791.db2.gz QVMPFVWDQMKBGD-GCJKJVERSA-N 1 3 388.600 3.517 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000065890865 857858424 /nfs/dbraw/zinc/85/84/24/857858424.db2.gz LEOZYFCTJNLHOC-UHFFFAOYSA-N 1 3 389.490 3.874 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1 ZINC000065893671 857872650 /nfs/dbraw/zinc/87/26/50/857872650.db2.gz DDTBDXRYXUFOGX-UHFFFAOYSA-N 1 3 385.527 3.872 20 0 GHADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000665285580 857913790 /nfs/dbraw/zinc/91/37/90/857913790.db2.gz QOTGSOOZAKYGQC-NSHDSACASA-N 1 3 378.369 3.696 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442712612 858068574 /nfs/dbraw/zinc/06/85/74/858068574.db2.gz VBVDVHFNNVJPLD-NRFANRHFSA-N 1 3 388.559 3.562 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000574750238 858157463 /nfs/dbraw/zinc/15/74/63/858157463.db2.gz LJCFIOJONDILOE-REWPJTCUSA-N 1 3 382.548 3.858 20 0 GHADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442859592 858180557 /nfs/dbraw/zinc/18/05/57/858180557.db2.gz ANWRGXCAWUSLLO-LSDHHAIUSA-N 1 3 388.383 3.765 20 0 GHADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000594969853 858334235 /nfs/dbraw/zinc/33/42/35/858334235.db2.gz QXEJBGPFPUCXEN-SIKLNZKXSA-N 1 3 387.568 3.785 20 0 GHADHO C[C@@H](CSCCF)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000595038216 858375972 /nfs/dbraw/zinc/37/59/72/858375972.db2.gz LDPQOJSUMWRWHR-ICSRJNTNSA-N 1 3 380.573 3.596 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000665363260 859123661 /nfs/dbraw/zinc/12/36/61/859123661.db2.gz WCAHATPFUDSMTN-OAQYLSRUSA-N 1 3 398.595 3.557 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000665363260 859123673 /nfs/dbraw/zinc/12/36/73/859123673.db2.gz WCAHATPFUDSMTN-OAQYLSRUSA-N 1 3 398.595 3.557 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc(Oc4ccccn4)c3)cc2)C1 ZINC000922239339 859131954 /nfs/dbraw/zinc/13/19/54/859131954.db2.gz FVKJLJCYAJXEQQ-QFIPXVFZSA-N 1 3 389.499 3.730 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(Oc4ccccn4)c3)cc2)C1 ZINC000922239339 859131956 /nfs/dbraw/zinc/13/19/56/859131956.db2.gz FVKJLJCYAJXEQQ-QFIPXVFZSA-N 1 3 389.499 3.730 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C(=O)C4CCC4)cc3)CC2)CC1 ZINC000568206411 859235723 /nfs/dbraw/zinc/23/57/23/859235723.db2.gz LWEIXKZLBBRDKM-UHFFFAOYSA-N 1 3 397.563 3.804 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cc4cnccc4o3)C2)ccn1 ZINC000856557762 881410986 /nfs/dbraw/zinc/41/09/86/881410986.db2.gz BKFWKECJZRXCGL-HXUWFJFHSA-N 1 3 380.492 3.716 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cc4cnccc4o3)C2)ccn1 ZINC000856557762 881411116 /nfs/dbraw/zinc/41/11/16/881411116.db2.gz BKFWKECJZRXCGL-HXUWFJFHSA-N 1 3 380.492 3.716 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3N(C)C)C2)ccn1 ZINC000856558987 881426938 /nfs/dbraw/zinc/42/69/38/881426938.db2.gz CVZXXXRHBJZVIJ-JOCHJYFZSA-N 1 3 382.552 3.641 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3N(C)C)C2)ccn1 ZINC000856558987 881426950 /nfs/dbraw/zinc/42/69/50/881426950.db2.gz CVZXXXRHBJZVIJ-JOCHJYFZSA-N 1 3 382.552 3.641 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N2CCCC2)cc1 ZINC000483752071 859589442 /nfs/dbraw/zinc/58/94/42/859589442.db2.gz DKEGUZAUPZAETI-QHCPKHFHSA-N 1 3 398.595 3.838 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001127859553 859967186 /nfs/dbraw/zinc/96/71/86/859967186.db2.gz KDWSTKPICDAVPX-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H]1CC([NH2+]Cc2ccc3c(c2)NC(=O)CO3)C[C@H](C)N1Cc1ccccc1 ZINC001168035755 860169968 /nfs/dbraw/zinc/16/99/68/860169968.db2.gz UWWHCRZTKAFSIX-IRXDYDNUSA-N 1 3 379.504 3.549 20 0 GHADHO Clc1ccc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)c(-n2cncn2)c1 ZINC000474482496 860196582 /nfs/dbraw/zinc/19/65/82/860196582.db2.gz LJDOTRUDFCMHRD-OAQYLSRUSA-N 1 3 381.911 3.847 20 0 GHADHO COCCC[NH+]1CCC(N[C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536178182 860270717 /nfs/dbraw/zinc/27/07/17/860270717.db2.gz CGHCIJVGFGGORC-IBGZPJMESA-N 1 3 381.358 3.917 20 0 GHADHO O=C1COc2ccc(CN3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)cc2N1 ZINC000508966137 860316971 /nfs/dbraw/zinc/31/69/71/860316971.db2.gz VRVGHTDDLFQMBH-UHFFFAOYSA-N 1 3 391.515 3.506 20 0 GHADHO O=C1COc2ccc(CN3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cc2N1 ZINC000508966137 860316979 /nfs/dbraw/zinc/31/69/79/860316979.db2.gz VRVGHTDDLFQMBH-UHFFFAOYSA-N 1 3 391.515 3.506 20 0 GHADHO c1ccc(CN2CCCO[C@H](CNC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000191832349 860359908 /nfs/dbraw/zinc/35/99/08/860359908.db2.gz VOMXCVMHNWAYGH-XMMPIXPASA-N 1 3 385.596 3.664 20 0 GHADHO COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)n2c1CCCC2 ZINC000598639535 860467912 /nfs/dbraw/zinc/46/79/12/860467912.db2.gz TWNITSFHOKLCDC-ICSRJNTNSA-N 1 3 395.547 3.611 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000509023872 860580963 /nfs/dbraw/zinc/58/09/63/860580963.db2.gz OWOIITHIPOOTTL-FQEVSTJZSA-N 1 3 394.991 3.706 20 0 GHADHO C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522469763 860720972 /nfs/dbraw/zinc/72/09/72/860720972.db2.gz OPDTYBSWSHYLCA-RDPSFJRHSA-N 1 3 391.559 3.777 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603884 881577289 /nfs/dbraw/zinc/57/72/89/881577289.db2.gz GAIVJOVKRAARRH-YADHBBJMSA-N 1 3 387.568 3.867 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603884 881577301 /nfs/dbraw/zinc/57/73/01/881577301.db2.gz GAIVJOVKRAARRH-YADHBBJMSA-N 1 3 387.568 3.867 20 0 GHADHO C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529469 861162406 /nfs/dbraw/zinc/16/24/06/861162406.db2.gz JULLFKZPQMQRQN-GDBMZVCRSA-N 1 3 399.373 3.734 20 0 GHADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000522853258 863560763 /nfs/dbraw/zinc/56/07/63/863560763.db2.gz BAAIDDDSSJWJKJ-UHFFFAOYSA-N 1 3 392.478 3.590 20 0 GHADHO O[C@@H](CN1CC[C@H](C[NH+]2CCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000606902936 863926701 /nfs/dbraw/zinc/92/67/01/863926701.db2.gz GVIVURWYTMCDCD-UXHICEINSA-N 1 3 377.532 3.573 20 0 GHADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000607173947 864135542 /nfs/dbraw/zinc/13/55/42/864135542.db2.gz HUOLBGMXJAIVEY-NJDAHSKKSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000607173947 864135550 /nfs/dbraw/zinc/13/55/50/864135550.db2.gz HUOLBGMXJAIVEY-NJDAHSKKSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000607173950 864135609 /nfs/dbraw/zinc/13/56/09/864135609.db2.gz HUOLBGMXJAIVEY-QHAWAJNXSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000607173950 864135618 /nfs/dbraw/zinc/13/56/18/864135618.db2.gz HUOLBGMXJAIVEY-QHAWAJNXSA-N 1 3 386.584 3.555 20 0 GHADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000475108956 864189669 /nfs/dbraw/zinc/18/96/69/864189669.db2.gz PKCZEVIBLPJZOK-JOCHJYFZSA-N 1 3 398.595 3.747 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000607238776 864201367 /nfs/dbraw/zinc/20/13/67/864201367.db2.gz URTAUELAOFJBBC-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO CC(C)[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000607383902 864329410 /nfs/dbraw/zinc/32/94/10/864329410.db2.gz CQXTYPKDGSHOSM-HSZRJFAPSA-N 1 3 379.548 3.561 20 0 GHADHO CC(C)[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000607383902 864329423 /nfs/dbraw/zinc/32/94/23/864329423.db2.gz CQXTYPKDGSHOSM-HSZRJFAPSA-N 1 3 379.548 3.561 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](CC)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256000 864340161 /nfs/dbraw/zinc/34/01/61/864340161.db2.gz YBYREXUZRYLJFF-OYDLWJJNSA-N 1 3 387.612 3.550 20 0 GHADHO CC(C)(C)N1CCC([NH2+]Cc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)CC1 ZINC000621738698 864391507 /nfs/dbraw/zinc/39/15/07/864391507.db2.gz OTNQQMCLNYLINY-UHFFFAOYSA-N 1 3 395.547 3.570 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000148150946 864410664 /nfs/dbraw/zinc/41/06/64/864410664.db2.gz INZWYISTCQSVIR-UNMCSNQZSA-N 1 3 378.520 3.896 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000554843582 865002589 /nfs/dbraw/zinc/00/25/89/865002589.db2.gz MBOXFWSUIZPOPY-HXUWFJFHSA-N 1 3 387.474 3.794 20 0 GHADHO COc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1OC(F)F ZINC000192920162 865074688 /nfs/dbraw/zinc/07/46/88/865074688.db2.gz KWCYNFDRBDVYMM-SFHVURJKSA-N 1 3 376.447 3.908 20 0 GHADHO Cc1cc(N2CCC(CN3CCOCC3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301498323 865391688 /nfs/dbraw/zinc/39/16/88/865391688.db2.gz CINMJJIQVVHQKW-UHFFFAOYSA-N 1 3 391.462 3.693 20 0 GHADHO CC[N@H+](CCC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1)CC1CC1 ZINC001168425088 865474865 /nfs/dbraw/zinc/47/48/65/865474865.db2.gz ZMOKEFRJFCGUSM-JOCHJYFZSA-N 1 3 391.600 3.974 20 0 GHADHO CC[N@@H+](CCC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1)CC1CC1 ZINC001168425088 865474874 /nfs/dbraw/zinc/47/48/74/865474874.db2.gz ZMOKEFRJFCGUSM-JOCHJYFZSA-N 1 3 391.600 3.974 20 0 GHADHO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174404797 865768279 /nfs/dbraw/zinc/76/82/79/865768279.db2.gz VJSVXMHMOCMZEE-QHCPKHFHSA-N 1 3 391.559 3.877 20 0 GHADHO C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174404797 865768285 /nfs/dbraw/zinc/76/82/85/865768285.db2.gz VJSVXMHMOCMZEE-QHCPKHFHSA-N 1 3 391.559 3.877 20 0 GHADHO CSc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481197015 865989327 /nfs/dbraw/zinc/98/93/27/865989327.db2.gz ZPDIKBPWBAVNIF-LAUBAEHRSA-N 1 3 383.561 3.847 20 0 GHADHO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000600014412 866037629 /nfs/dbraw/zinc/03/76/29/866037629.db2.gz VAPFSSKGFPXAJY-YADHBBJMSA-N 1 3 399.623 3.958 20 0 GHADHO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000600014412 866037649 /nfs/dbraw/zinc/03/76/49/866037649.db2.gz VAPFSSKGFPXAJY-YADHBBJMSA-N 1 3 399.623 3.958 20 0 GHADHO C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000183103597 866212294 /nfs/dbraw/zinc/21/22/94/866212294.db2.gz ZPZUYMXNZITIAK-HKUYNNGSSA-N 1 3 379.589 3.876 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC=C(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000552867790 866387444 /nfs/dbraw/zinc/38/74/44/866387444.db2.gz KUMXVNZLYJTSCA-UHFFFAOYSA-N 1 3 399.554 3.638 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C(C)(C)C)ccc3O)CC2)CC1 ZINC000553227211 867008000 /nfs/dbraw/zinc/00/80/00/867008000.db2.gz YAXIUPMADBRVNB-UHFFFAOYSA-N 1 3 387.568 3.825 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000154220433 867305682 /nfs/dbraw/zinc/30/56/82/867305682.db2.gz KUXHLPVWKKVENL-INIZCTEOSA-N 1 3 390.572 3.936 20 0 GHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154341124 867362136 /nfs/dbraw/zinc/36/21/36/867362136.db2.gz CFJJDDBRPBOVFP-INIZCTEOSA-N 1 3 390.572 3.936 20 0 GHADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154354953 867367539 /nfs/dbraw/zinc/36/75/39/867367539.db2.gz QRJPYPGRVAJJRN-INIZCTEOSA-N 1 3 390.572 3.936 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484615 867852552 /nfs/dbraw/zinc/85/25/52/867852552.db2.gz IASLIJISBAYHIP-UGKGYDQZSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484615 867852561 /nfs/dbraw/zinc/85/25/61/867852561.db2.gz IASLIJISBAYHIP-UGKGYDQZSA-N 1 3 397.950 3.814 20 0 GHADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479489973 867875601 /nfs/dbraw/zinc/87/56/01/867875601.db2.gz NVXWWLSZMKRYHS-ABQRKTDGSA-N 1 3 389.543 3.703 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000155566643 867949789 /nfs/dbraw/zinc/94/97/89/867949789.db2.gz HQYYGIQJHRSKOI-IRXDYDNUSA-N 1 3 389.975 3.511 20 0 GHADHO CCc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)o2)cc1 ZINC000539823129 869854427 /nfs/dbraw/zinc/85/44/27/869854427.db2.gz RMBYZQRUNLHLDD-WMZHIEFXSA-N 1 3 381.564 3.967 20 0 GHADHO CCc1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)o2)cc1 ZINC000539823129 869854435 /nfs/dbraw/zinc/85/44/35/869854435.db2.gz RMBYZQRUNLHLDD-WMZHIEFXSA-N 1 3 381.564 3.967 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)N(C)C)cc1 ZINC000248397324 870370902 /nfs/dbraw/zinc/37/09/02/870370902.db2.gz HXOHZMLZGBWYFS-VCOUNFBDSA-N 1 3 386.584 3.550 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)N(C)C)cc1 ZINC000248397324 870370922 /nfs/dbraw/zinc/37/09/22/870370922.db2.gz HXOHZMLZGBWYFS-VCOUNFBDSA-N 1 3 386.584 3.550 20 0 GHADHO C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397850 870371294 /nfs/dbraw/zinc/37/12/94/870371294.db2.gz IHBAADILYYUOOS-XKCSPQBFSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397850 870371364 /nfs/dbraw/zinc/37/13/64/870371364.db2.gz IHBAADILYYUOOS-XKCSPQBFSA-N 1 3 398.595 3.776 20 0 GHADHO Cn1c(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc2c1cccc2F ZINC000248413934 870396646 /nfs/dbraw/zinc/39/66/46/870396646.db2.gz LYQCELIHFPJCQK-QKNQBKEWSA-N 1 3 392.522 3.755 20 0 GHADHO CC(C)[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299690 870939144 /nfs/dbraw/zinc/93/91/44/870939144.db2.gz QQFKNUVCXZLEBC-FUHWJXTLSA-N 1 3 385.474 3.580 20 0 GHADHO CC(C)[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299690 870939150 /nfs/dbraw/zinc/93/91/50/870939150.db2.gz QQFKNUVCXZLEBC-FUHWJXTLSA-N 1 3 385.474 3.580 20 0 GHADHO CC[N@H+](CCC1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538950202 870961048 /nfs/dbraw/zinc/96/10/48/870961048.db2.gz XLIHIOKHJAIQNL-HXUWFJFHSA-N 1 3 397.607 3.794 20 0 GHADHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538950202 870961054 /nfs/dbraw/zinc/96/10/54/870961054.db2.gz XLIHIOKHJAIQNL-HXUWFJFHSA-N 1 3 397.607 3.794 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001170438755 882463331 /nfs/dbraw/zinc/46/33/31/882463331.db2.gz USKHSXSWBZCPOC-OFNKIYASSA-N 1 3 388.552 3.559 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001170438755 882463340 /nfs/dbraw/zinc/46/33/40/882463340.db2.gz USKHSXSWBZCPOC-OFNKIYASSA-N 1 3 388.552 3.559 20 0 GHADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)N(C)C)c1 ZINC000463138015 870990277 /nfs/dbraw/zinc/99/02/77/870990277.db2.gz NWGOVPPYPACDSG-UCFCWBNQSA-N 1 3 381.564 3.941 20 0 GHADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)c1 ZINC000463138015 870990290 /nfs/dbraw/zinc/99/02/90/870990290.db2.gz NWGOVPPYPACDSG-UCFCWBNQSA-N 1 3 381.564 3.941 20 0 GHADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)c1 ZINC000463138015 870990309 /nfs/dbraw/zinc/99/03/09/870990309.db2.gz NWGOVPPYPACDSG-UCFCWBNQSA-N 1 3 381.564 3.941 20 0 GHADHO C[C@@H](NCC1(N2CCCCC2)CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000091729760 871329172 /nfs/dbraw/zinc/32/91/72/871329172.db2.gz UVBUHBWVLLQZRL-QGZVFWFLSA-N 1 3 376.614 3.623 20 0 GHADHO CN(C)[C@@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccccc1 ZINC000540466633 871331287 /nfs/dbraw/zinc/33/12/87/871331287.db2.gz MCLUDCTWMVDBES-VXKWHMMOSA-N 1 3 379.548 3.867 20 0 GHADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000618355984 871519770 /nfs/dbraw/zinc/51/97/70/871519770.db2.gz GLAJLXHGIRCKCH-DEOSSOPVSA-N 1 3 391.559 3.671 20 0 GHADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000618355984 871519773 /nfs/dbraw/zinc/51/97/73/871519773.db2.gz GLAJLXHGIRCKCH-DEOSSOPVSA-N 1 3 391.559 3.671 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001169539889 871617029 /nfs/dbraw/zinc/61/70/29/871617029.db2.gz KMQOEQMYYQZWEK-WTIAFYNJSA-N 1 3 379.548 3.706 20 0 GHADHO CC(=O)N1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001169589818 871650768 /nfs/dbraw/zinc/65/07/68/871650768.db2.gz WHCNBRWOVORNJD-CCDWMCETSA-N 1 3 391.559 3.645 20 0 GHADHO CC(=O)N1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001169589818 871650772 /nfs/dbraw/zinc/65/07/72/871650772.db2.gz WHCNBRWOVORNJD-CCDWMCETSA-N 1 3 391.559 3.645 20 0 GHADHO CN(CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000539394415 871848249 /nfs/dbraw/zinc/84/82/49/871848249.db2.gz QRMGWOKCNYKCJY-QFIPXVFZSA-N 1 3 397.538 3.835 20 0 GHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783671 871878872 /nfs/dbraw/zinc/87/88/72/871878872.db2.gz JTQOQZQHQBJJPJ-LADGPHEKSA-N 1 3 391.559 3.745 20 0 GHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783671 871878896 /nfs/dbraw/zinc/87/88/96/871878896.db2.gz JTQOQZQHQBJJPJ-LADGPHEKSA-N 1 3 391.559 3.745 20 0 GHADHO Clc1cccc(-c2n[nH]cc2CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735100 872370702 /nfs/dbraw/zinc/37/07/02/872370702.db2.gz YNVUYNWGWGVOAJ-UHFFFAOYSA-N 1 3 388.943 3.807 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000093769439 872407723 /nfs/dbraw/zinc/40/77/23/872407723.db2.gz IPKLOTAAUFNDSN-UHFFFAOYSA-N 1 3 388.531 3.786 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000093769439 872407733 /nfs/dbraw/zinc/40/77/33/872407733.db2.gz IPKLOTAAUFNDSN-UHFFFAOYSA-N 1 3 388.531 3.786 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)CC1 ZINC000763529851 872425751 /nfs/dbraw/zinc/42/57/51/872425751.db2.gz JDEMDFGXMPXPFX-CYFREDJKSA-N 1 3 399.554 3.960 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H](C)O1 ZINC000478185988 872643570 /nfs/dbraw/zinc/64/35/70/872643570.db2.gz XSZDYUYEVCZKGE-HDICACEKSA-N 1 3 376.541 3.621 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)ccc1OC ZINC000183026145 873129271 /nfs/dbraw/zinc/12/92/71/873129271.db2.gz XFXQJFDCASZHNF-NQIIRXRSSA-N 1 3 399.583 3.590 20 0 GHADHO Brc1ccc(-n2cc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cn2)cc1 ZINC000470018100 873384267 /nfs/dbraw/zinc/38/42/67/873384267.db2.gz MVNLPDQUSLQCLP-LJQANCHMSA-N 1 3 389.341 3.599 20 0 GHADHO CCN1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527647635 873400251 /nfs/dbraw/zinc/40/02/51/873400251.db2.gz NMYAOJHBTRHWEO-LBPRGKRZSA-N 1 3 383.359 3.722 20 0 GHADHO Cc1ccc(O[C@@H]2CCN(Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)nc1 ZINC000858012745 882719611 /nfs/dbraw/zinc/71/96/11/882719611.db2.gz LHFYYYRPWDIUPS-JOCHJYFZSA-N 1 3 394.563 3.574 20 0 GHADHO CC(C)Oc1cc(Cl)c(CNCCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000527670945 873433262 /nfs/dbraw/zinc/43/32/62/873433262.db2.gz RYPSGCLSZMIEKL-UHFFFAOYSA-N 1 3 388.383 3.896 20 0 GHADHO C[N@H+](CCOc1cccc(CNCc2ccc3cc[nH]c3c2)c1)C1CCOCC1 ZINC000527652699 873447805 /nfs/dbraw/zinc/44/78/05/873447805.db2.gz IMIOUQPHZGTHPR-UHFFFAOYSA-N 1 3 393.531 3.947 20 0 GHADHO C[N@@H+](CCOc1cccc(CNCc2ccc3cc[nH]c3c2)c1)C1CCOCC1 ZINC000527652699 873447811 /nfs/dbraw/zinc/44/78/11/873447811.db2.gz IMIOUQPHZGTHPR-UHFFFAOYSA-N 1 3 393.531 3.947 20 0 GHADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc(C(F)(F)F)c1 ZINC000527690166 873457920 /nfs/dbraw/zinc/45/79/20/873457920.db2.gz GAASAXTXIDBOGM-LJQANCHMSA-N 1 3 394.437 3.570 20 0 GHADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc(C(F)(F)F)c1 ZINC000527690166 873457923 /nfs/dbraw/zinc/45/79/23/873457923.db2.gz GAASAXTXIDBOGM-LJQANCHMSA-N 1 3 394.437 3.570 20 0 GHADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc(C(F)(F)F)c1 ZINC000527690159 873458034 /nfs/dbraw/zinc/45/80/34/873458034.db2.gz GAASAXTXIDBOGM-IBGZPJMESA-N 1 3 394.437 3.570 20 0 GHADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc(C(F)(F)F)c1 ZINC000527690159 873458039 /nfs/dbraw/zinc/45/80/39/873458039.db2.gz GAASAXTXIDBOGM-IBGZPJMESA-N 1 3 394.437 3.570 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)N1[C@H](C)CC[C@H]1C ZINC000102941740 873904134 /nfs/dbraw/zinc/90/41/34/873904134.db2.gz DIWVAACQQYPTDL-ZACQAIPSSA-N 1 3 390.547 3.556 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)N1[C@H](C)CC[C@@H]1C ZINC000102941737 873904165 /nfs/dbraw/zinc/90/41/65/873904165.db2.gz DIWVAACQQYPTDL-BBWFWOEESA-N 1 3 390.547 3.556 20 0 GHADHO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000744414022 874017102 /nfs/dbraw/zinc/01/71/02/874017102.db2.gz CQMWCJVNGOOENM-SIKLNZKXSA-N 1 3 386.584 3.668 20 0 GHADHO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000744414022 874017118 /nfs/dbraw/zinc/01/71/18/874017118.db2.gz CQMWCJVNGOOENM-SIKLNZKXSA-N 1 3 386.584 3.668 20 0 GHADHO CC[NH+](CC)C[C@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000464777769 874472601 /nfs/dbraw/zinc/47/26/01/874472601.db2.gz PDQKWKJOVWDKCD-UXHICEINSA-N 1 3 379.548 3.819 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449324166 874707446 /nfs/dbraw/zinc/70/74/46/874707446.db2.gz CXPOLQAHHUEYLJ-SFHVURJKSA-N 1 3 388.577 3.777 20 0 GHADHO COCC1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000449346333 874738667 /nfs/dbraw/zinc/73/86/67/874738667.db2.gz ZGSYFEJSKKTHHL-KOENEWCDSA-N 1 3 386.580 3.710 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5ccncc5)C4)[C@H]3C2)cc1 ZINC000449532807 875014869 /nfs/dbraw/zinc/01/48/69/875014869.db2.gz DQHGZICQVVRKRZ-VHJOFQCFSA-N 1 3 377.532 3.802 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C3(C[NH+](C)C)CCCCC3)c(C)c2)CC1 ZINC000491399068 875670273 /nfs/dbraw/zinc/67/02/73/875670273.db2.gz HMDFTDZCFBHNEH-UHFFFAOYSA-N 1 3 386.584 3.588 20 0 GHADHO C[C@@H](O)C[C@@H]1CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620815 876665592 /nfs/dbraw/zinc/66/55/92/876665592.db2.gz ZCLXUSXPGLOUJC-YVCBRDFCSA-N 1 3 394.987 3.811 20 0 GHADHO C[C@@H](O)C[C@@H]1CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620815 876665605 /nfs/dbraw/zinc/66/56/05/876665605.db2.gz ZCLXUSXPGLOUJC-YVCBRDFCSA-N 1 3 394.987 3.811 20 0 GHADHO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(CN2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620815 876665612 /nfs/dbraw/zinc/66/56/12/876665612.db2.gz ZCLXUSXPGLOUJC-YVCBRDFCSA-N 1 3 394.987 3.811 20 0 GHADHO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(CN2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620815 876665620 /nfs/dbraw/zinc/66/56/20/876665620.db2.gz ZCLXUSXPGLOUJC-YVCBRDFCSA-N 1 3 394.987 3.811 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000537662155 883058973 /nfs/dbraw/zinc/05/89/73/883058973.db2.gz XJDSQFOBDIHXJU-ROUUACIJSA-N 1 3 390.616 3.966 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000537662155 883058988 /nfs/dbraw/zinc/05/89/88/883058988.db2.gz XJDSQFOBDIHXJU-ROUUACIJSA-N 1 3 390.616 3.966 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4cc(Cl)ccc43)CC2)CC1 ZINC000529919264 876849982 /nfs/dbraw/zinc/84/99/82/876849982.db2.gz APRMJGSQIPGWFB-NRFANRHFSA-N 1 3 389.971 3.640 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786783734 876937433 /nfs/dbraw/zinc/93/74/33/876937433.db2.gz OMLJWRWBEGTTAK-SFHVURJKSA-N 1 3 380.536 3.909 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@H](C)C3CCCCC3)CC2)CC1 ZINC000530036296 877005151 /nfs/dbraw/zinc/00/51/51/877005151.db2.gz CNOZYJJMFWLRJE-IBGZPJMESA-N 1 3 377.617 3.858 20 0 GHADHO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)N(C)C)cc1 ZINC000455895278 877374434 /nfs/dbraw/zinc/37/44/34/877374434.db2.gz CWSHAEZWNUMOEI-YADHBBJMSA-N 1 3 380.536 3.968 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCCC[NH+]2CCCCC2)c2cccs2)CC1 ZINC000642635887 912237404 /nfs/dbraw/zinc/23/74/04/912237404.db2.gz KSAXXAJNUPWEIV-IBGZPJMESA-N 1 3 392.613 3.696 20 0 GHADHO Cc1c(CNCc2ccccc2OCC[NH+](C)C)sc2nc(C)nc(C)c12 ZINC000746693042 877495781 /nfs/dbraw/zinc/49/57/81/877495781.db2.gz FEONQAQGVXXFGK-UHFFFAOYSA-N 1 3 384.549 3.847 20 0 GHADHO Cn1cc(C[NH2+]C2CCN(C(C)(C)C)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000237750267 877960731 /nfs/dbraw/zinc/96/07/31/877960731.db2.gz DGVLJHMUQZDABO-UHFFFAOYSA-N 1 3 398.551 3.601 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCCCCCC[NH+](C)C ZINC000746756146 878236009 /nfs/dbraw/zinc/23/60/09/878236009.db2.gz ICXJMDGPMFJHAI-NRFANRHFSA-N 1 3 388.600 3.805 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)c2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100422 878813594 /nfs/dbraw/zinc/81/35/94/878813594.db2.gz DYVKIGADNRHAQB-LSTHTHJFSA-N 1 3 393.453 3.807 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)c2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100422 878813614 /nfs/dbraw/zinc/81/36/14/878813614.db2.gz DYVKIGADNRHAQB-LSTHTHJFSA-N 1 3 393.453 3.807 20 0 GHADHO O[C@H](CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120227 878827094 /nfs/dbraw/zinc/82/70/94/878827094.db2.gz HPNZUPPSKQQAMO-SIKLNZKXSA-N 1 3 386.486 3.890 20 0 GHADHO O[C@H](CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120227 878827100 /nfs/dbraw/zinc/82/71/00/878827100.db2.gz HPNZUPPSKQQAMO-SIKLNZKXSA-N 1 3 386.486 3.890 20 0 GHADHO O[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120227 878827103 /nfs/dbraw/zinc/82/71/03/878827103.db2.gz HPNZUPPSKQQAMO-SIKLNZKXSA-N 1 3 386.486 3.890 20 0 GHADHO COc1ccc(Cl)cc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000530952656 878831099 /nfs/dbraw/zinc/83/10/99/878831099.db2.gz FUAIKJXDIZYXIW-UHFFFAOYSA-N 1 3 394.003 3.977 20 0 GHADHO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000853239939 878922253 /nfs/dbraw/zinc/92/22/53/878922253.db2.gz KLSZKHYQLDUQBY-RTWAWAEBSA-N 1 3 385.552 3.752 20 0 GHADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853241666 878926332 /nfs/dbraw/zinc/92/63/32/878926332.db2.gz WTOFIUOEWDWBPK-YZGWKJHDSA-N 1 3 379.589 3.734 20 0 GHADHO Cc1ccc2c(c1)[C@H](NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000246072474 878931504 /nfs/dbraw/zinc/93/15/04/878931504.db2.gz BRVBPFBLTDVEQB-ISKFKSNPSA-N 1 3 391.559 3.860 20 0 GHADHO Cc1ccc2c(c1)[C@H](NCc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000246072474 878931516 /nfs/dbraw/zinc/93/15/16/878931516.db2.gz BRVBPFBLTDVEQB-ISKFKSNPSA-N 1 3 391.559 3.860 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000246839611 879822523 /nfs/dbraw/zinc/82/25/23/879822523.db2.gz CBZWUMDDFHODQD-ACZWYYKOSA-N 1 3 397.966 3.561 20 0 GHADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140151 879838059 /nfs/dbraw/zinc/83/80/59/879838059.db2.gz XSBVHFDJMGIHRX-WDWDUUAGSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140151 879838075 /nfs/dbraw/zinc/83/80/75/879838075.db2.gz XSBVHFDJMGIHRX-WDWDUUAGSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000246975669 879869577 /nfs/dbraw/zinc/86/95/77/879869577.db2.gz JTEJAHZDGVCMAU-ZACQAIPSSA-N 1 3 381.948 3.536 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247338027 879975367 /nfs/dbraw/zinc/97/53/67/879975367.db2.gz NLQVBAKXYMIGKV-FDHFVPJWSA-N 1 3 396.575 3.876 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247338027 879975380 /nfs/dbraw/zinc/97/53/80/879975380.db2.gz NLQVBAKXYMIGKV-FDHFVPJWSA-N 1 3 396.575 3.876 20 0 GHADHO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000285989063 912527615 /nfs/dbraw/zinc/52/76/15/912527615.db2.gz IAEWBJLXSSYPCX-RBZQAINGSA-N 1 3 383.580 3.525 20 0 GHADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531715760 880321273 /nfs/dbraw/zinc/32/12/73/880321273.db2.gz UAJXDLSVQIVECM-AYPBNUJASA-N 1 3 395.522 3.546 20 0 GHADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531715760 880321285 /nfs/dbraw/zinc/32/12/85/880321285.db2.gz UAJXDLSVQIVECM-AYPBNUJASA-N 1 3 395.522 3.546 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(Cl)cc2)N(C)C)[C@H](C)C1 ZINC000531738425 880367497 /nfs/dbraw/zinc/36/74/97/880367497.db2.gz RHGSIDGDLDOWOE-JRGCBEDISA-N 1 3 381.992 3.669 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(Cl)cc2)N(C)C)[C@H](C)C1 ZINC000531738425 880367511 /nfs/dbraw/zinc/36/75/11/880367511.db2.gz RHGSIDGDLDOWOE-JRGCBEDISA-N 1 3 381.992 3.669 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)[C@@H](O)CCCC4)CC2)CC1 ZINC000855546803 880580475 /nfs/dbraw/zinc/58/04/75/880580475.db2.gz OXUUKNMKSCFZPD-QHCPKHFHSA-N 1 3 399.579 3.581 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4cc(OC)ccc43)cc2)CC1 ZINC000531937917 880795130 /nfs/dbraw/zinc/79/51/30/880795130.db2.gz PKHSXARVNINCBT-VWLOTQADSA-N 1 3 393.575 4.000 20 0 GHADHO Cc1ccc(C)c2c1CCC[C@@H]2NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000186148463 880803076 /nfs/dbraw/zinc/80/30/76/880803076.db2.gz GRHPNCQDROVPBK-QFIPXVFZSA-N 1 3 379.548 3.762 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975749 880853285 /nfs/dbraw/zinc/85/32/85/880853285.db2.gz ZBTDYBQNBPPMQS-AVRDEDQJSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975749 880853294 /nfs/dbraw/zinc/85/32/94/880853294.db2.gz ZBTDYBQNBPPMQS-AVRDEDQJSA-N 1 3 397.950 3.814 20 0 GHADHO CCCCCOc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1OC ZINC000532016120 880931435 /nfs/dbraw/zinc/93/14/35/880931435.db2.gz SQBGFQYBOSGSTL-LEWJYISDSA-N 1 3 390.568 3.732 20 0 GHADHO Cc1ccc(C[C@@H](CO)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C ZINC000453467756 880975180 /nfs/dbraw/zinc/97/51/80/880975180.db2.gz ZDERCSKSQNOOGE-OJJQZRKESA-N 1 3 378.560 3.992 20 0 GHADHO Cc1ccc(C[C@@H](CO)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC000453467756 880975192 /nfs/dbraw/zinc/97/51/92/880975192.db2.gz ZDERCSKSQNOOGE-OJJQZRKESA-N 1 3 378.560 3.992 20 0 GHADHO C[NH+](C)C1CCC(N2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001168330581 881086350 /nfs/dbraw/zinc/08/63/50/881086350.db2.gz SKKCTEOHMDMIMR-CBNMVNINSA-N 1 3 387.568 3.811 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000073918963 881159720 /nfs/dbraw/zinc/15/97/20/881159720.db2.gz MWFAIHLEAPSLJL-UNMCSNQZSA-N 1 3 386.584 3.505 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000073918963 881159731 /nfs/dbraw/zinc/15/97/31/881159731.db2.gz MWFAIHLEAPSLJL-UNMCSNQZSA-N 1 3 386.584 3.505 20 0 GHADHO C[C@@H](CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC000556983945 881291743 /nfs/dbraw/zinc/29/17/43/881291743.db2.gz QXTJDZWKLUXKDL-AZUAARDMSA-N 1 3 393.522 3.525 20 0 GHADHO CN(C)C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000476964495 883486664 /nfs/dbraw/zinc/48/66/64/883486664.db2.gz UEITYFOGBXXQQG-QFIPXVFZSA-N 1 3 398.526 3.524 20 0 GHADHO CC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000542509170 883890275 /nfs/dbraw/zinc/89/02/75/883890275.db2.gz NHXUIJZZQLJNCW-QHCPKHFHSA-N 1 3 391.559 3.679 20 0 GHADHO CC[C@H]1CC([NH+]2CCC3(CN(C)C3)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496361 884284891 /nfs/dbraw/zinc/28/48/91/884284891.db2.gz IJBXASUSHUBPMV-ROUUACIJSA-N 1 3 379.589 3.971 20 0 GHADHO CN(CCC(F)(F)F)[C@H](CNC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000556411182 884812249 /nfs/dbraw/zinc/81/22/49/884812249.db2.gz VVXKWENZLSCRAQ-QGZVFWFLSA-N 1 3 377.882 3.949 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000498572520 884870554 /nfs/dbraw/zinc/87/05/54/884870554.db2.gz ZULSNEZURQVPMB-UHFFFAOYSA-N 1 3 379.548 3.910 20 0 GHADHO CC(C)C[N@H+](C)CCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001130730849 884976291 /nfs/dbraw/zinc/97/62/91/884976291.db2.gz SWAPOKLVFPDJLQ-FQEVSTJZSA-N 1 3 399.501 3.535 20 0 GHADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001130730849 884976310 /nfs/dbraw/zinc/97/63/10/884976310.db2.gz SWAPOKLVFPDJLQ-FQEVSTJZSA-N 1 3 399.501 3.535 20 0 GHADHO CCc1nc2cc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2n1C1CC1 ZINC000655765406 885210468 /nfs/dbraw/zinc/21/04/68/885210468.db2.gz FBSRBVYDFPWDND-FQEVSTJZSA-N 1 3 382.552 3.667 20 0 GHADHO Cc1cc2ncccc2nc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170526879 885522710 /nfs/dbraw/zinc/52/27/10/885522710.db2.gz XUDVTTIZIKMMCC-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccccc3-c3ncc[nH]3)c3ccccc23)CC1 ZINC001170528909 885579091 /nfs/dbraw/zinc/57/90/91/885579091.db2.gz UWDOHIJAEHTUDR-UHFFFAOYSA-N 1 3 385.515 3.986 20 0 GHADHO CCOCc1cncc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170529166 885601274 /nfs/dbraw/zinc/60/12/74/885601274.db2.gz XIDZBQXNCGZOFM-UHFFFAOYSA-N 1 3 378.520 3.528 20 0 GHADHO CC(C)C[NH+]1CCC(N[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000131213902 885667948 /nfs/dbraw/zinc/66/79/48/885667948.db2.gz QWVKSGCZTIUECX-KRWDZBQOSA-N 1 3 379.976 3.787 20 0 GHADHO CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4CN5CCC[C@@H]5CO4)n3)cc2)CC1 ZINC000923824807 885997888 /nfs/dbraw/zinc/99/78/88/885997888.db2.gz IUTGTFHUMFEOIF-UXHICEINSA-N 1 3 382.508 3.504 20 0 GHADHO CN(CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000532584859 886184572 /nfs/dbraw/zinc/18/45/72/886184572.db2.gz NTUALBURGSOZSQ-PGRDOPGGSA-N 1 3 385.577 3.617 20 0 GHADHO CN(CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000532584859 886184588 /nfs/dbraw/zinc/18/45/88/886184588.db2.gz NTUALBURGSOZSQ-PGRDOPGGSA-N 1 3 385.577 3.617 20 0 GHADHO c1c(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000556892468 886520082 /nfs/dbraw/zinc/52/00/82/886520082.db2.gz NSCBVUNWMKBHJK-ILWGZMRPSA-N 1 3 396.604 3.812 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)c2)n1 ZINC000556892290 886521858 /nfs/dbraw/zinc/52/18/58/886521858.db2.gz JLKOYZIJWVONLF-SCTDSRPQSA-N 1 3 385.533 3.559 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)c2)n1 ZINC000556892290 886521861 /nfs/dbraw/zinc/52/18/61/886521861.db2.gz JLKOYZIJWVONLF-SCTDSRPQSA-N 1 3 385.533 3.559 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2COc3ccccc3[C@@H]2O)ccc1OC ZINC000808729754 886746227 /nfs/dbraw/zinc/74/62/27/886746227.db2.gz OTJMALWAKOBYTQ-YBVWCTEOSA-N 1 3 384.520 3.682 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]Cc3ccco3)CC2)c1 ZINC000237682443 886978494 /nfs/dbraw/zinc/97/84/94/886978494.db2.gz RRXSYPXNNGFRTL-UHFFFAOYSA-N 1 3 381.442 3.990 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000050802108 887711061 /nfs/dbraw/zinc/71/10/61/887711061.db2.gz RSODFUVUUQCUCT-UHFFFAOYSA-N 1 3 391.559 3.571 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000050803179 887711638 /nfs/dbraw/zinc/71/16/38/887711638.db2.gz VJNMWUHDNMQDIN-UHFFFAOYSA-N 1 3 398.378 3.601 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000810426826 888493296 /nfs/dbraw/zinc/49/32/96/888493296.db2.gz YAVRXEFGEVUSEY-XQFWAAQXSA-N 1 3 389.559 3.710 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000810426826 888493301 /nfs/dbraw/zinc/49/33/01/888493301.db2.gz YAVRXEFGEVUSEY-XQFWAAQXSA-N 1 3 389.559 3.710 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c1 ZINC000866043728 888706541 /nfs/dbraw/zinc/70/65/41/888706541.db2.gz DYBXZUWDZLORML-UHFFFAOYSA-N 1 3 392.547 3.759 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000173636871 890453421 /nfs/dbraw/zinc/45/34/21/890453421.db2.gz FDQHMKAKRUKNRV-HXUWFJFHSA-N 1 3 397.567 3.624 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000173636871 890453427 /nfs/dbraw/zinc/45/34/27/890453427.db2.gz FDQHMKAKRUKNRV-HXUWFJFHSA-N 1 3 397.567 3.624 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000126706340 890657289 /nfs/dbraw/zinc/65/72/89/890657289.db2.gz BIXCNIHCHOYUBB-LSDHHAIUSA-N 1 3 386.353 3.512 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC000126735097 890670305 /nfs/dbraw/zinc/67/03/05/890670305.db2.gz ZBEOTYYLPSHMRV-KRWDZBQOSA-N 1 3 389.490 3.886 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000127948435 891330240 /nfs/dbraw/zinc/33/02/40/891330240.db2.gz FEAXZMCZLRCRFP-OALUTQOASA-N 1 3 392.613 3.552 20 0 GHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000127948435 891330254 /nfs/dbraw/zinc/33/02/54/891330254.db2.gz FEAXZMCZLRCRFP-OALUTQOASA-N 1 3 392.613 3.552 20 0 GHADHO N[C@@H](CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)Cc1ccccc1 ZINC000873236079 891538681 /nfs/dbraw/zinc/53/86/81/891538681.db2.gz XATJCRTXYHYERX-LEWJYISDSA-N 1 3 381.520 3.590 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000497430870 891565374 /nfs/dbraw/zinc/56/53/74/891565374.db2.gz BMBUESLAEIQHIF-TYPHKJRUSA-N 1 3 398.551 3.673 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000497430870 891565388 /nfs/dbraw/zinc/56/53/88/891565388.db2.gz BMBUESLAEIQHIF-TYPHKJRUSA-N 1 3 398.551 3.673 20 0 GHADHO COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC(N(C)Cc4ccncc4)C3)CC1)C2 ZINC001168272349 891914932 /nfs/dbraw/zinc/91/49/32/891914932.db2.gz LKBJPLSDIRYSNZ-QFIPXVFZSA-N 1 3 391.559 3.934 20 0 GHADHO CCCC[C@H](N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497909609 892711677 /nfs/dbraw/zinc/71/16/77/892711677.db2.gz WXYUUWCRJKXULD-SFHVURJKSA-N 1 3 385.474 3.646 20 0 GHADHO CCCC[C@H](N)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497909609 892711688 /nfs/dbraw/zinc/71/16/88/892711688.db2.gz WXYUUWCRJKXULD-SFHVURJKSA-N 1 3 385.474 3.646 20 0 GHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(N2CCCC2=O)c1 ZINC000162568186 892777417 /nfs/dbraw/zinc/77/74/17/892777417.db2.gz LTJAAYAFKRAERV-SFHVURJKSA-N 1 3 381.520 3.605 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@H]1N1CCN(C)CC1 ZINC000536666362 893481590 /nfs/dbraw/zinc/48/15/90/893481590.db2.gz IVMFMVTWJNZZAP-OXJNMPFZSA-N 1 3 389.490 3.683 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@H]1N1CCN(C)CC1 ZINC000536666362 893481596 /nfs/dbraw/zinc/48/15/96/893481596.db2.gz IVMFMVTWJNZZAP-OXJNMPFZSA-N 1 3 389.490 3.683 20 0 GHADHO COc1cc(C)c(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000536709438 893613900 /nfs/dbraw/zinc/61/39/00/893613900.db2.gz BDOYMVXYVPQVEY-KDURUIRLSA-N 1 3 390.568 3.724 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379659037 893716633 /nfs/dbraw/zinc/71/66/33/893716633.db2.gz YFJDDJRLKAGMHN-RLLQIKCJSA-N 1 3 388.939 3.722 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379659037 893716642 /nfs/dbraw/zinc/71/66/42/893716642.db2.gz YFJDDJRLKAGMHN-RLLQIKCJSA-N 1 3 388.939 3.722 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3cccc(OCc4ccccc4F)c3)CC2)CC1 ZINC000877747548 893788243 /nfs/dbraw/zinc/78/82/43/893788243.db2.gz QHKDTZBQNAXAPS-UHFFFAOYSA-N 1 3 397.538 3.617 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)cc1 ZINC000826010942 893990278 /nfs/dbraw/zinc/99/02/78/893990278.db2.gz ZSFCZAKBOVGXRQ-IBGZPJMESA-N 1 3 388.943 3.592 20 0 GHADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC2=NCCC2)cc1 ZINC001135598604 894855550 /nfs/dbraw/zinc/85/55/50/894855550.db2.gz OWPROKCHPGOEKH-UHFFFAOYSA-N 1 3 376.504 3.685 20 0 GHADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249565 894931956 /nfs/dbraw/zinc/93/19/56/894931956.db2.gz URPNAYUYJZDIIF-QZTJIDSGSA-N 1 3 375.582 3.608 20 0 GHADHO COc1cc(C)c(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000564538447 895063642 /nfs/dbraw/zinc/06/36/42/895063642.db2.gz WIYBSESAZHAKIL-IFMALSPDSA-N 1 3 380.532 3.966 20 0 GHADHO COc1cc(C)c(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000564538447 895063658 /nfs/dbraw/zinc/06/36/58/895063658.db2.gz WIYBSESAZHAKIL-IFMALSPDSA-N 1 3 380.532 3.966 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000564619170 895127631 /nfs/dbraw/zinc/12/76/31/895127631.db2.gz PXPDFTXTLPXLDT-XZOQPEGZSA-N 1 3 383.580 3.752 20 0 GHADHO Brc1ccccc1-c1cnc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000565047452 895368969 /nfs/dbraw/zinc/36/89/69/895368969.db2.gz RPZLGTFTXFGKNO-LSDHHAIUSA-N 1 3 390.325 3.926 20 0 GHADHO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000289118152 914042244 /nfs/dbraw/zinc/04/22/44/914042244.db2.gz DGZDIUJCCQWUFU-SQMWVJLWSA-N 1 3 382.552 3.794 20 0 GHADHO [NH3+][C@H](CCC(=O)Nc1cccc(CN2CCC(O)CC2)c1)CC1CCCCC1 ZINC000566289047 896218100 /nfs/dbraw/zinc/21/81/00/896218100.db2.gz OHFHUUPGGOQYOY-HXUWFJFHSA-N 1 3 387.568 3.660 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000819282969 896525996 /nfs/dbraw/zinc/52/59/96/896525996.db2.gz DWHDGZPVYVAZBX-VWNXMTODSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819282969 896526003 /nfs/dbraw/zinc/52/60/03/896526003.db2.gz DWHDGZPVYVAZBX-VWNXMTODSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc([C@@H](O)CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333857 896576694 /nfs/dbraw/zinc/57/66/94/896576694.db2.gz RGUJTVJFPVVIPI-ZEQRLZLVSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccc([C@@H](O)CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333857 896576710 /nfs/dbraw/zinc/57/67/10/896576710.db2.gz RGUJTVJFPVVIPI-ZEQRLZLVSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333857 896576728 /nfs/dbraw/zinc/57/67/28/896576728.db2.gz RGUJTVJFPVVIPI-ZEQRLZLVSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccc([C@H](OC[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC000566792009 896576991 /nfs/dbraw/zinc/57/69/91/896576991.db2.gz IINJWCGDWLKCKA-POEKJWFMSA-N 1 3 394.559 3.677 20 0 GHADHO Cc1ccc([C@H](OC[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)cc1 ZINC000566792009 896577008 /nfs/dbraw/zinc/57/70/08/896577008.db2.gz IINJWCGDWLKCKA-POEKJWFMSA-N 1 3 394.559 3.677 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c(C)[nH]nc3-c3ccccc3)CC2)CC1 ZINC000566805462 896585664 /nfs/dbraw/zinc/58/56/64/896585664.db2.gz IHICEUUSDRISDK-UHFFFAOYSA-N 1 3 395.551 3.520 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCCC34CCCC4)CC2)CC1 ZINC000568211204 897678355 /nfs/dbraw/zinc/67/83/55/897678355.db2.gz WEEYSSCJIRQFSY-NRFANRHFSA-N 1 3 375.601 3.802 20 0 GHADHO CCCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCc2ncsc2C1 ZINC000646130014 914275071 /nfs/dbraw/zinc/27/50/71/914275071.db2.gz JJTXRXHGSAKQER-IBGZPJMESA-N 1 3 378.630 3.519 20 0 GHADHO CCCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCc2ncsc2C1 ZINC000646130014 914275089 /nfs/dbraw/zinc/27/50/89/914275089.db2.gz JJTXRXHGSAKQER-IBGZPJMESA-N 1 3 378.630 3.519 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(c3ccncc3)CC2)CC1 ZINC000569531847 898753519 /nfs/dbraw/zinc/75/35/19/898753519.db2.gz NTIXJJLEWRTJSO-UHFFFAOYSA-N 1 3 378.564 3.993 20 0 GHADHO C[C@H](CNC(=O)OC(C)(C)C)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000824181180 899417690 /nfs/dbraw/zinc/41/76/90/899417690.db2.gz NUYGKUXADIREDH-QZTJIDSGSA-N 1 3 375.557 3.585 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3OC(F)(F)F)CC2)CC1 ZINC000570642791 899464990 /nfs/dbraw/zinc/46/49/90/899464990.db2.gz BVKRDZWSYOLCPG-UHFFFAOYSA-N 1 3 399.457 3.720 20 0 GHADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(C(=O)OCc4ccccc4)[nH]3)C2)CC1 ZINC000824389815 899578781 /nfs/dbraw/zinc/57/87/81/899578781.db2.gz VCNXXXZBCZYQAQ-FQEVSTJZSA-N 1 3 381.520 3.535 20 0 GHADHO CC(C)c1nc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c2ccccn21 ZINC000571647618 899935566 /nfs/dbraw/zinc/93/55/66/899935566.db2.gz YFUCTSHNNSFWPD-UHFFFAOYSA-N 1 3 392.547 3.574 20 0 GHADHO CCCOc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c(C)c1 ZINC000572469147 900199644 /nfs/dbraw/zinc/19/96/44/900199644.db2.gz AGTNPDQKSARUGC-UHFFFAOYSA-N 1 3 387.568 3.919 20 0 GHADHO Cc1ccc2nc(C[N@H+]3CC[C@@]4(CN(C)C[C@@H]4COCC4CC4)C3)ccc2c1 ZINC001137213341 900234766 /nfs/dbraw/zinc/23/47/66/900234766.db2.gz YLJGQWQVZBNYRO-ZJSXRUAMSA-N 1 3 379.548 3.724 20 0 GHADHO Cc1ccc2nc(C[N@@H+]3CC[C@@]4(CN(C)C[C@@H]4COCC4CC4)C3)ccc2c1 ZINC001137213341 900234778 /nfs/dbraw/zinc/23/47/78/900234778.db2.gz YLJGQWQVZBNYRO-ZJSXRUAMSA-N 1 3 379.548 3.724 20 0 GHADHO COC[C@H]1CCCN(Cc2cncc(C[N@@H+]3CCC[C@H](COC)CC3)c2)CC1 ZINC000572693312 900252389 /nfs/dbraw/zinc/25/23/89/900252389.db2.gz LZGYTIKYNVXOEQ-SFTDATJTSA-N 1 3 389.584 3.579 20 0 GHADHO COC[C@H]1CCCN(Cc2cncc(C[N@H+]3CCC[C@H](COC)CC3)c2)CC1 ZINC000572693312 900252405 /nfs/dbraw/zinc/25/24/05/900252405.db2.gz LZGYTIKYNVXOEQ-SFTDATJTSA-N 1 3 389.584 3.579 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000573082262 900375204 /nfs/dbraw/zinc/37/52/04/900375204.db2.gz CQOQTPFESKMIFU-YOEHRIQHSA-N 1 3 397.473 3.656 20 0 GHADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329391 900702687 /nfs/dbraw/zinc/70/26/87/900702687.db2.gz NHOVUYGUKRNSKW-YWZLYKJASA-N 1 3 380.504 3.822 20 0 GHADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329391 900702697 /nfs/dbraw/zinc/70/26/97/900702697.db2.gz NHOVUYGUKRNSKW-YWZLYKJASA-N 1 3 380.504 3.822 20 0 GHADHO CCOC(=O)c1csc(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000886596398 901181845 /nfs/dbraw/zinc/18/18/45/901181845.db2.gz DNEIPMHOEGUOQJ-OTWHNJEPSA-N 1 3 399.560 3.505 20 0 GHADHO CCOC(=O)c1csc(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000886596398 901181849 /nfs/dbraw/zinc/18/18/49/901181849.db2.gz DNEIPMHOEGUOQJ-OTWHNJEPSA-N 1 3 399.560 3.505 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000576836165 902291801 /nfs/dbraw/zinc/29/18/01/902291801.db2.gz SASRICMLRJIGBN-HLAWJBBLSA-N 1 3 375.601 3.658 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126768272 902366024 /nfs/dbraw/zinc/36/60/24/902366024.db2.gz VGSHSKWSPNVIDQ-OXQOHEQNSA-N 1 3 381.520 3.583 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126768272 902366030 /nfs/dbraw/zinc/36/60/30/902366030.db2.gz VGSHSKWSPNVIDQ-OXQOHEQNSA-N 1 3 381.520 3.583 20 0 GHADHO Cc1cc(Br)cc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000775031817 914633958 /nfs/dbraw/zinc/63/39/58/914633958.db2.gz UDBVERARLOLTHL-MOPGFXCFSA-N 1 3 381.358 3.615 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc4c(c3)nnn4C)C[C@@H]21 ZINC001144637231 902548037 /nfs/dbraw/zinc/54/80/37/902548037.db2.gz QZZCJNQNGKZAOG-JTAQYXEDSA-N 1 3 375.520 3.579 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc4c(c3)nnn4C)C[C@@H]21 ZINC001144637231 902548043 /nfs/dbraw/zinc/54/80/43/902548043.db2.gz QZZCJNQNGKZAOG-JTAQYXEDSA-N 1 3 375.520 3.579 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)s1 ZINC000846100852 902713415 /nfs/dbraw/zinc/71/34/15/902713415.db2.gz UYDYFHUSQDMXHS-UWJYYQICSA-N 1 3 395.588 3.549 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)s1 ZINC000846100852 902713430 /nfs/dbraw/zinc/71/34/30/902713430.db2.gz UYDYFHUSQDMXHS-UWJYYQICSA-N 1 3 395.588 3.549 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1)CC(C)C ZINC000577424424 902759883 /nfs/dbraw/zinc/75/98/83/902759883.db2.gz HQIHJMQPFDLOSF-UHFFFAOYSA-N 1 3 387.547 3.986 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1)CC(C)C ZINC000577424424 902759895 /nfs/dbraw/zinc/75/98/95/902759895.db2.gz HQIHJMQPFDLOSF-UHFFFAOYSA-N 1 3 387.547 3.986 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)C1CC[NH+](C(C)C)CC1 ZINC000264189565 902902490 /nfs/dbraw/zinc/90/24/90/902902490.db2.gz DZONZCWHMNELGR-UHFFFAOYSA-N 1 3 397.567 3.622 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000600901503 903071442 /nfs/dbraw/zinc/07/14/42/903071442.db2.gz OLEZOGKWGCZZGV-JOCHJYFZSA-N 1 3 386.584 3.779 20 0 GHADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000132799150 903309901 /nfs/dbraw/zinc/30/99/01/903309901.db2.gz JJURMSAATYFZGG-KGLIPLIRSA-N 1 3 385.321 3.740 20 0 GHADHO COc1ccc([C@@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000265108912 903635762 /nfs/dbraw/zinc/63/57/62/903635762.db2.gz AVWGUONVWOOAKH-RTBURBONSA-N 1 3 395.547 3.515 20 0 GHADHO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2c(c1)CNC2 ZINC000579107555 904353160 /nfs/dbraw/zinc/35/31/60/904353160.db2.gz NBJRGCZXTXVRSG-UHFFFAOYSA-N 1 3 391.437 3.513 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccccc3C)C3CC3)CC2)CC1 ZINC000579371730 904550144 /nfs/dbraw/zinc/55/01/44/904550144.db2.gz WEIDHFGSHULCOW-UHFFFAOYSA-N 1 3 383.580 3.682 20 0 GHADHO Fc1cc2c(c(F)c1F)C[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC001171519694 904796209 /nfs/dbraw/zinc/79/62/09/904796209.db2.gz HQAQMQOGMBLTIO-GOSISDBHSA-N 1 3 389.465 3.858 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)CC1(C)C ZINC001171638399 904927469 /nfs/dbraw/zinc/92/74/69/904927469.db2.gz VIIIEFVLHYEDPM-HXUWFJFHSA-N 1 3 383.580 3.776 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC(NC(=O)c3ccccc3F)CC2)CC1(C)C ZINC001171640329 904930043 /nfs/dbraw/zinc/93/00/43/904930043.db2.gz COKCVHDIXKQHIN-UHFFFAOYSA-N 1 3 375.532 3.671 20 0 GHADHO C[NH+]1C(C)(C)CC(N2CCC(NC(=O)c3ccccc3F)CC2)CC1(C)C ZINC001171640329 904930053 /nfs/dbraw/zinc/93/00/53/904930053.db2.gz COKCVHDIXKQHIN-UHFFFAOYSA-N 1 3 375.532 3.671 20 0 GHADHO COCC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641682 904932218 /nfs/dbraw/zinc/93/22/18/904932218.db2.gz SYRXHONMJFTTLE-QGZVFWFLSA-N 1 3 397.604 3.596 20 0 GHADHO COCC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641682 904932221 /nfs/dbraw/zinc/93/22/21/904932221.db2.gz SYRXHONMJFTTLE-QGZVFWFLSA-N 1 3 397.604 3.596 20 0 GHADHO COCCCN1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172064716 905328646 /nfs/dbraw/zinc/32/86/46/905328646.db2.gz JFRQPLNILNSPOB-BKFWDETESA-N 1 3 385.596 3.663 20 0 GHADHO COc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001172063293 905329683 /nfs/dbraw/zinc/32/96/83/905329683.db2.gz BRYJIXAJOWXEEF-PIATZUFCSA-N 1 3 380.532 3.904 20 0 GHADHO Cc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cn12 ZINC001172068392 905336921 /nfs/dbraw/zinc/33/69/21/905336921.db2.gz KJZYZXJYFXCCTN-DKUWSORSSA-N 1 3 375.520 3.713 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)c(OCC3CCOCC3)c(F)c1)C2 ZINC001172113399 905361706 /nfs/dbraw/zinc/36/17/06/905361706.db2.gz GWIMWGPKCYGUPA-LDLYASANSA-N 1 3 394.506 3.875 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@H]3COc3cccnc3)CC1)C2 ZINC001172118730 905377134 /nfs/dbraw/zinc/37/71/34/905377134.db2.gz YDTQMCJBPVBHKY-FNAHDJPLSA-N 1 3 399.579 3.594 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172122458 905384029 /nfs/dbraw/zinc/38/40/29/905384029.db2.gz BJNWHMJIKVPSBE-ACESQOTJSA-N 1 3 385.596 3.997 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172122458 905384044 /nfs/dbraw/zinc/38/40/44/905384044.db2.gz BJNWHMJIKVPSBE-ACESQOTJSA-N 1 3 385.596 3.997 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001172213531 905415467 /nfs/dbraw/zinc/41/54/67/905415467.db2.gz HKKHIQYIDCAWNB-OGQIYBCISA-N 1 3 390.955 3.577 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001172213531 905415474 /nfs/dbraw/zinc/41/54/74/905415474.db2.gz HKKHIQYIDCAWNB-OGQIYBCISA-N 1 3 390.955 3.577 20 0 GHADHO COCCC[NH+]1CCC(NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001172244339 905443279 /nfs/dbraw/zinc/44/32/79/905443279.db2.gz OYXYAMCYACWSHD-OAQYLSRUSA-N 1 3 379.976 3.567 20 0 GHADHO COCCCN1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001172244339 905443292 /nfs/dbraw/zinc/44/32/92/905443292.db2.gz OYXYAMCYACWSHD-OAQYLSRUSA-N 1 3 379.976 3.567 20 0 GHADHO CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)C1CCN(CCCOC)CC1 ZINC001172253460 905448174 /nfs/dbraw/zinc/44/81/74/905448174.db2.gz QCYHCSJYGZNIAL-IBGZPJMESA-N 1 3 375.557 3.535 20 0 GHADHO CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)C1CCN(CCCOC)CC1 ZINC001172253460 905448182 /nfs/dbraw/zinc/44/81/82/905448182.db2.gz QCYHCSJYGZNIAL-IBGZPJMESA-N 1 3 375.557 3.535 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC001173599839 906552619 /nfs/dbraw/zinc/55/26/19/906552619.db2.gz RNKBOWLYYSQNGP-BEYWUKIISA-N 1 3 396.575 3.999 20 0 GHADHO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)s1 ZINC000181411495 906994726 /nfs/dbraw/zinc/99/47/26/906994726.db2.gz IZQRVUFMQTWDIT-YLJYHZDGSA-N 1 3 387.593 3.856 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000187174473 908052062 /nfs/dbraw/zinc/05/20/62/908052062.db2.gz TWQNLNKZXSDZAG-SFHVURJKSA-N 1 3 383.561 3.659 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000187174473 908052077 /nfs/dbraw/zinc/05/20/77/908052077.db2.gz TWQNLNKZXSDZAG-SFHVURJKSA-N 1 3 383.561 3.659 20 0 GHADHO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001176366150 908080199 /nfs/dbraw/zinc/08/01/99/908080199.db2.gz XXMNUYLQMJJWAM-OIBXWCBGSA-N 1 3 379.548 3.674 20 0 GHADHO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001176366150 908080206 /nfs/dbraw/zinc/08/02/06/908080206.db2.gz XXMNUYLQMJJWAM-OIBXWCBGSA-N 1 3 379.548 3.674 20 0 GHADHO Fc1ccc([C@@H]2OCC[C@H]2N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000635004209 909099819 /nfs/dbraw/zinc/09/98/19/909099819.db2.gz NJXNOAULYNZYFA-WAGURGNTSA-N 1 3 386.442 3.640 20 0 GHADHO COc1cc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc(OC)c1OC ZINC000268756564 910000881 /nfs/dbraw/zinc/00/08/81/910000881.db2.gz FHWZUCLXKXSZLN-INIZCTEOSA-N 1 3 388.508 3.504 20 0 GHADHO CC(C)(C)[C@]1(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639296505 910379398 /nfs/dbraw/zinc/37/93/98/910379398.db2.gz VFTRNZRELMONMB-YKSBVNFPSA-N 1 3 383.580 3.525 20 0 GHADHO Fc1ccc2ccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)nc2c1F ZINC000639311903 910382877 /nfs/dbraw/zinc/38/28/77/910382877.db2.gz QWCLXEQLOUIXBB-UHFFFAOYSA-N 1 3 382.458 3.910 20 0 GHADHO c1ccc(C(CN2CCC[C@@]3(CCOC3)C2)C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000639666618 910598905 /nfs/dbraw/zinc/59/89/05/910598905.db2.gz MYDFSJMGSYAOTA-JWQCQUIFSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc(C(CN2CCC[C@@]3(CCOC3)C2)C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000639666618 910598909 /nfs/dbraw/zinc/59/89/09/910598909.db2.gz MYDFSJMGSYAOTA-JWQCQUIFSA-N 1 3 398.591 3.775 20 0 GHADHO COC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1C ZINC001181697573 910947743 /nfs/dbraw/zinc/94/77/43/910947743.db2.gz KYSGUYKKMJRHRP-DEOSSOPVSA-N 1 3 378.516 3.880 20 0 GHADHO COC(=O)c1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1C ZINC001181697573 910947753 /nfs/dbraw/zinc/94/77/53/910947753.db2.gz KYSGUYKKMJRHRP-DEOSSOPVSA-N 1 3 378.516 3.880 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc3c(c2)ncn3C)cc1OC ZINC000271629429 910992305 /nfs/dbraw/zinc/99/23/05/910992305.db2.gz FIBPKTZIHMAZHL-UHFFFAOYSA-N 1 3 396.535 3.592 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000801922057 921630644 /nfs/dbraw/zinc/63/06/44/921630644.db2.gz DVIYWTWGBKWBJX-UXHICEINSA-N 1 3 379.589 3.974 20 0 GHADHO COc1ccccc1OCCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000091900032 911326955 /nfs/dbraw/zinc/32/69/55/911326955.db2.gz BMNBZZCPCMTDMR-UHFFFAOYSA-N 1 3 397.563 3.736 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774457701 911764954 /nfs/dbraw/zinc/76/49/54/911764954.db2.gz KAUADXUAVXKQNV-RZAIGCCYSA-N 1 3 386.367 3.994 20 0 GHADHO CC(C)(C)[C@]1(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)CCN(Cc2ccccc2)C1 ZINC001182533283 911857208 /nfs/dbraw/zinc/85/72/08/911857208.db2.gz MTNYXCUIMMXAHK-BJKOFHAPSA-N 1 3 388.596 3.692 20 0 GHADHO CC(C)(C)[C@@]1(C[NH+]2CCC(Cn3cnnc3)CC2)CCN(Cc2ccccc2)C1 ZINC001182753345 912003125 /nfs/dbraw/zinc/00/31/25/912003125.db2.gz HFHXRCQSWJEAIT-XMMPIXPASA-N 1 3 395.595 3.929 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248393793 912043237 /nfs/dbraw/zinc/04/32/37/912043237.db2.gz FCMGJVFOHISQBP-MSNJVRRCSA-N 1 3 380.532 3.619 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248393793 912043248 /nfs/dbraw/zinc/04/32/48/912043248.db2.gz FCMGJVFOHISQBP-MSNJVRRCSA-N 1 3 380.532 3.619 20 0 GHADHO COc1cc(Br)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647544019 915319950 /nfs/dbraw/zinc/31/99/50/915319950.db2.gz VOWZNCBEKWYSJS-HUUCEWRRSA-N 1 3 397.357 3.678 20 0 GHADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3cc(Cl)ccc3Cl)CC2)C1=O ZINC001275727167 916443858 /nfs/dbraw/zinc/44/38/58/916443858.db2.gz FGNRMKRIDDOMNK-FQEVSTJZSA-N 1 3 398.378 3.760 20 0 GHADHO CCOC[C@@H]1CCN(Cc2cc(C[N@@H+]3CC[C@H](COCC)C3)ccc2F)C1 ZINC000294865704 917020099 /nfs/dbraw/zinc/02/00/99/917020099.db2.gz DIUIIJRXKMRQIH-VQTJNVASSA-N 1 3 378.532 3.543 20 0 GHADHO CCOC[C@@H]1CCN(Cc2cc(C[N@H+]3CC[C@H](COCC)C3)ccc2F)C1 ZINC000294865704 917020114 /nfs/dbraw/zinc/02/01/14/917020114.db2.gz DIUIIJRXKMRQIH-VQTJNVASSA-N 1 3 378.532 3.543 20 0 GHADHO CC(=O)N1CC[C@@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000362032889 917042759 /nfs/dbraw/zinc/04/27/59/917042759.db2.gz RBFTVLNBBMRODR-VGOFRKELSA-N 1 3 381.520 3.776 20 0 GHADHO COC(=O)N1CCC([NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1 ZINC000775379540 917308503 /nfs/dbraw/zinc/30/85/03/917308503.db2.gz RTJKJDRDBFWFDO-QGZVFWFLSA-N 1 3 389.540 3.563 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)ccc1OC ZINC000775382515 917315341 /nfs/dbraw/zinc/31/53/41/917315341.db2.gz OVXUDRIFTJWBTF-CRAIPNDOSA-N 1 3 387.490 3.824 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)cc1CN1CCCCC1 ZINC000775406170 917517718 /nfs/dbraw/zinc/51/77/18/917517718.db2.gz GSDCNAMKYXPVHQ-KRWDZBQOSA-N 1 3 375.557 3.637 20 0 GHADHO CC(C)C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000652148141 917820423 /nfs/dbraw/zinc/82/04/23/917820423.db2.gz PAOUKGDASVGASI-QFIPXVFZSA-N 1 3 385.527 3.994 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000653113485 918128458 /nfs/dbraw/zinc/12/84/58/918128458.db2.gz CVZQWCYLMBMXHT-FUHWJXTLSA-N 1 3 385.474 3.594 20 0 GHADHO CCN(CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000775502417 918456053 /nfs/dbraw/zinc/45/60/53/918456053.db2.gz WFPFFWSAEGGKDN-ICSRJNTNSA-N 1 3 375.557 3.744 20 0 GHADHO CN(Cc1cc(C[N@H+](C)C[C@@H]2CCCOC2)ccc1F)C[C@@H]1CCCOC1 ZINC000297378690 919280288 /nfs/dbraw/zinc/28/02/88/919280288.db2.gz DFVYNVWSPWGCPQ-PMACEKPBSA-N 1 3 378.532 3.543 20 0 GHADHO CN(Cc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)ccc1F)C[C@@H]1CCCOC1 ZINC000297378690 919280301 /nfs/dbraw/zinc/28/03/01/919280301.db2.gz DFVYNVWSPWGCPQ-PMACEKPBSA-N 1 3 378.532 3.543 20 0 GHADHO c1ccc(CC[C@@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000902808241 922510255 /nfs/dbraw/zinc/51/02/55/922510255.db2.gz GKNXJENQSLFKSK-ZJSXRUAMSA-N 1 3 379.548 3.846 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(-n2ccnc2)c1 ZINC000903050045 922729497 /nfs/dbraw/zinc/72/94/97/922729497.db2.gz ONORMSXWBQHOSI-LJQANCHMSA-N 1 3 375.520 3.830 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000903761664 923265871 /nfs/dbraw/zinc/26/58/71/923265871.db2.gz ZAQCKTMWSOTXOD-GMAHTHKFSA-N 1 3 399.510 3.615 20 0 GHADHO c1cn(-c2ccc(CN3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)cn2)cn1 ZINC000370648920 924228699 /nfs/dbraw/zinc/22/86/99/924228699.db2.gz BBXVUFGLQYTQNJ-UHFFFAOYSA-N 1 3 387.531 3.755 20 0 GHADHO c1cn(-c2ccc(CN3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cn2)cn1 ZINC000370648920 924228713 /nfs/dbraw/zinc/22/87/13/924228713.db2.gz BBXVUFGLQYTQNJ-UHFFFAOYSA-N 1 3 387.531 3.755 20 0 GHADHO Cc1ncsc1CCN(C)[C@H]1CCC[N@H+](CCc2scnc2C)CC1 ZINC000371098456 924425617 /nfs/dbraw/zinc/42/56/17/924425617.db2.gz HCSROMPLXHVPDA-KRWDZBQOSA-N 1 3 378.611 3.788 20 0 GHADHO Cc1ncsc1CCN(C)[C@H]1CCC[N@@H+](CCc2scnc2C)CC1 ZINC000371098456 924425622 /nfs/dbraw/zinc/42/56/22/924425622.db2.gz HCSROMPLXHVPDA-KRWDZBQOSA-N 1 3 378.611 3.788 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN(Cc2ccccc2)C1 ZINC000827011144 924543834 /nfs/dbraw/zinc/54/38/34/924543834.db2.gz DYDPTGLDGBLXIC-PXDATVDWSA-N 1 3 392.591 3.794 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@]3(CO)CCCN(Cc4ccccc4)C3)CC2)C1 ZINC000679042408 925006898 /nfs/dbraw/zinc/00/68/98/925006898.db2.gz BFXGGLQFGTZLGY-ZODMCCGTSA-N 1 3 399.623 3.646 20 0 GHADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000680508364 925499808 /nfs/dbraw/zinc/49/98/08/925499808.db2.gz HZNNBFPWYOHTNT-DENIHFKCSA-N 1 3 386.584 3.585 20 0 GHADHO CN1CC2(C1)CC[NH+](Cc1ccc3c(c1)CCN(C(=O)OC(C)(C)C)C3)CC2 ZINC001137446974 925817503 /nfs/dbraw/zinc/81/75/03/925817503.db2.gz ROQFBNWZGPZCLI-UHFFFAOYSA-N 1 3 385.552 3.507 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)CC1 ZINC000411473134 926435970 /nfs/dbraw/zinc/43/59/70/926435970.db2.gz JGKJLAWUXCJLFM-LJQANCHMSA-N 1 3 385.474 3.593 20 0 GHADHO COC1([C@@H](C)NCc2cc(C[NH2+][C@@H](C)C3(OC)CCC3)ccc2F)CCC1 ZINC000412017485 927008974 /nfs/dbraw/zinc/00/89/74/927008974.db2.gz AATYKJQGIXOFGH-DLBZAZTESA-N 1 3 378.532 3.920 20 0 GHADHO CC[NH2+]CC1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000470008617 930312750 /nfs/dbraw/zinc/31/27/50/930312750.db2.gz JUEWAWQTKTVJKK-UHFFFAOYSA-N 1 3 391.357 3.765 20 0 GHADHO CC(C)(C)C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000557483083 931462839 /nfs/dbraw/zinc/46/28/39/931462839.db2.gz ZKNCJPKNPUTPQK-HXUWFJFHSA-N 1 3 375.532 3.636 20 0 GHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)(C2CC2)CC1 ZINC000558471199 932021626 /nfs/dbraw/zinc/02/16/26/932021626.db2.gz NWISDQJLRWWYRN-IBGZPJMESA-N 1 3 383.580 3.668 20 0 GHADHO C[C@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000799031294 932857548 /nfs/dbraw/zinc/85/75/48/932857548.db2.gz IZUYMBMTLMNCIE-OAQYLSRUSA-N 1 3 397.607 3.664 20 0 GHADHO C[C@@H](NC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799177381 932899684 /nfs/dbraw/zinc/89/96/84/932899684.db2.gz NBQMDXACAWEMTJ-SJORKVTESA-N 1 3 377.960 3.714 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC2)CC1 ZINC000561315084 934045757 /nfs/dbraw/zinc/04/57/57/934045757.db2.gz FRWHXWUGVWSCGC-KRWDZBQOSA-N 1 3 391.522 3.666 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297012 935607830 /nfs/dbraw/zinc/60/78/30/935607830.db2.gz SDQSGPQXCFHHAR-STZQEDGTSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297012 935607834 /nfs/dbraw/zinc/60/78/34/935607834.db2.gz SDQSGPQXCFHHAR-STZQEDGTSA-N 1 3 385.552 3.640 20 0 GHADHO CC[N@H+](CCCN(C)C)Cc1cc(Br)cc(Br)c1 ZINC001137846683 935821653 /nfs/dbraw/zinc/82/16/53/935821653.db2.gz QQUMNEHEAWLRDY-UHFFFAOYSA-N 1 3 378.152 3.985 20 0 GHADHO CC[N@@H+](CCCN(C)C)Cc1cc(Br)cc(Br)c1 ZINC001137846683 935821657 /nfs/dbraw/zinc/82/16/57/935821657.db2.gz QQUMNEHEAWLRDY-UHFFFAOYSA-N 1 3 378.152 3.985 20 0 GHADHO C[C@@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1cccnc1F ZINC001227164554 1032303071 /nfs/dbraw/zinc/30/30/71/1032303071.db2.gz KEJSUWIFOJZTQX-MRXNPFEDSA-N 1 3 388.531 3.546 20 0 GHADHO C[NH+](C)CC[C@@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C(C)(C)C ZINC001227447686 1032424223 /nfs/dbraw/zinc/42/42/23/1032424223.db2.gz SMECFBKTABFRTF-NHCUHLMSSA-N 1 3 388.600 3.879 20 0 GHADHO Cc1ccc2c(c1)[C@H](Nc1cc(Cl)nc3c1CCNC3)CC21CC[NH2+]CC1 ZINC001155444785 1032545072 /nfs/dbraw/zinc/54/50/72/1032545072.db2.gz WNUXJQQCZXYBFG-LJQANCHMSA-N 1 3 382.939 3.867 20 0 GHADHO CN(C)C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000558881820 1017308120 /nfs/dbraw/zinc/30/81/20/1017308120.db2.gz ZJLZWCQDCLTDNA-VQTJNVASSA-N 1 3 388.943 3.545 20 0 GHADHO Cc1n[nH]cc1C1CCN(CC[C@@H](C)[NH+]2CCC(c3c[nH]nc3C)CC2)CC1 ZINC000560181630 1017567703 /nfs/dbraw/zinc/56/77/03/1017567703.db2.gz AMQYYDMLJKTTSO-MRXNPFEDSA-N 1 3 384.572 3.587 20 0 GHADHO Cc1n[nH]cc1C1CCN([C@H](C)CC[NH+]2CCC(c3c[nH]nc3C)CC2)CC1 ZINC000560181630 1017567712 /nfs/dbraw/zinc/56/77/12/1017567712.db2.gz AMQYYDMLJKTTSO-MRXNPFEDSA-N 1 3 384.572 3.587 20 0 GHADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000560527223 1017652879 /nfs/dbraw/zinc/65/28/79/1017652879.db2.gz AUJBXJIBFTXROS-YTFSRNRJSA-N 1 3 383.580 3.669 20 0 GHADHO CCN(Cc1c[nH]c2ccccc12)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000572177130 1019748565 /nfs/dbraw/zinc/74/85/65/1019748565.db2.gz OZLYGZVZVLSSNZ-UHFFFAOYSA-N 1 3 396.579 3.713 20 0 GHADHO CC(C)N1CCOC[C@@]2(CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430141 1032863594 /nfs/dbraw/zinc/86/35/94/1032863594.db2.gz HZUUDRLWLIUQPE-LJQANCHMSA-N 1 3 386.458 3.908 20 0 GHADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430141 1032863607 /nfs/dbraw/zinc/86/36/07/1032863607.db2.gz HZUUDRLWLIUQPE-LJQANCHMSA-N 1 3 386.458 3.908 20 0 GHADHO CCCCN1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000578640923 1020352847 /nfs/dbraw/zinc/35/28/47/1020352847.db2.gz BGDJALLBXAVQKR-UHFFFAOYSA-N 1 3 382.346 3.632 20 0 GHADHO CCCC[NH+]1CCC(NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000578640923 1020352859 /nfs/dbraw/zinc/35/28/59/1020352859.db2.gz BGDJALLBXAVQKR-UHFFFAOYSA-N 1 3 382.346 3.632 20 0 GHADHO Cc1ccc(OC[C@@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c1 ZINC000579344929 1020407114 /nfs/dbraw/zinc/40/71/14/1020407114.db2.gz NCQUTECANOUMTG-REWPJTCUSA-N 1 3 382.548 3.858 20 0 GHADHO Clc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2c(n1)CNCC2 ZINC001156315342 1032976456 /nfs/dbraw/zinc/97/64/56/1032976456.db2.gz AURWMYLHMYWYCR-YTQUADARSA-N 1 3 382.939 3.703 20 0 GHADHO Clc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2c(n1)CNCC2 ZINC001156315342 1032976461 /nfs/dbraw/zinc/97/64/61/1032976461.db2.gz AURWMYLHMYWYCR-YTQUADARSA-N 1 3 382.939 3.703 20 0 GHADHO Cc1ccc(Cl)nc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001140444381 1021729043 /nfs/dbraw/zinc/72/90/43/1021729043.db2.gz HOVRKWRAWZXMEE-QGZVFWFLSA-N 1 3 389.927 3.892 20 0 GHADHO Cc1ccc(Cl)nc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001140444381 1021729061 /nfs/dbraw/zinc/72/90/61/1021729061.db2.gz HOVRKWRAWZXMEE-QGZVFWFLSA-N 1 3 389.927 3.892 20 0 GHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@]2(C1)c1ccccc1NC2=O ZINC000681753420 1022324061 /nfs/dbraw/zinc/32/40/61/1022324061.db2.gz UUGWOSMZQWRGIT-DEOSSOPVSA-N 1 3 377.532 3.740 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@]2(C1)c1ccccc1NC2=O ZINC000681753420 1022324064 /nfs/dbraw/zinc/32/40/64/1022324064.db2.gz UUGWOSMZQWRGIT-DEOSSOPVSA-N 1 3 377.532 3.740 20 0 GHADHO Cc1cc(F)ccc1CN1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001140777531 1022502052 /nfs/dbraw/zinc/50/20/52/1022502052.db2.gz CEZLBMBEWCGPGD-DNVJHFABSA-N 1 3 390.543 3.614 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)[C@@H](C)c3ccccc3)cc2)CC1 ZINC000754184402 1022525882 /nfs/dbraw/zinc/52/58/82/1022525882.db2.gz PZWYZDNZGMSWJO-UXHICEINSA-N 1 3 394.563 3.549 20 0 GHADHO COc1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)ccc1OC(C)C ZINC001138571638 1025044256 /nfs/dbraw/zinc/04/42/56/1025044256.db2.gz RPKLWZAXCCLSJH-UHFFFAOYSA-N 1 3 390.568 3.807 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138769015 1025339214 /nfs/dbraw/zinc/33/92/14/1025339214.db2.gz IAMYSWSBQIYEOD-IBGZPJMESA-N 1 3 391.556 3.506 20 0 GHADHO O=C(NCCNC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001161896849 1025481177 /nfs/dbraw/zinc/48/11/77/1025481177.db2.gz YDYQUYCHWMTPEJ-QHCPKHFHSA-N 1 3 391.559 3.889 20 0 GHADHO O=C(NCCNC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001161896849 1025481196 /nfs/dbraw/zinc/48/11/96/1025481196.db2.gz YDYQUYCHWMTPEJ-QHCPKHFHSA-N 1 3 391.559 3.889 20 0 GHADHO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN(C)CCCc2ccccc2)c1C ZINC001141571297 1025603279 /nfs/dbraw/zinc/60/32/79/1025603279.db2.gz PDKZQSJZGUOHFQ-UHFFFAOYSA-N 1 3 398.595 3.768 20 0 GHADHO Brc1cccc2nc(NCc3cccnc3C3CC[NH2+]CC3)[nH]c21 ZINC001163911558 1026359191 /nfs/dbraw/zinc/35/91/91/1026359191.db2.gz FYABPIVXVGGRDZ-UHFFFAOYSA-N 1 3 386.297 3.800 20 0 GHADHO Cc1cc(N2CCN(c3ccc(CN(C)C4CC4)cn3)CC2)c2ccccc2[nH+]1 ZINC001164203353 1026450463 /nfs/dbraw/zinc/45/04/63/1026450463.db2.gz UBVMTCIDHZLDEH-UHFFFAOYSA-N 1 3 387.531 3.859 20 0 GHADHO CCOC(=O)c1csc2cc(NCC3(N(C)C)CC[NH+](C)CC3)ccc12 ZINC001164216014 1026455665 /nfs/dbraw/zinc/45/56/65/1026455665.db2.gz QFUMBXUYBXQWSG-UHFFFAOYSA-N 1 3 375.538 3.516 20 0 GHADHO CN1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)cc2)CC1 ZINC001164493333 1026530050 /nfs/dbraw/zinc/53/00/50/1026530050.db2.gz RUHOCNMJYCGVOL-IEZKXTBUSA-N 1 3 390.575 3.761 20 0 GHADHO CN1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)cc2)CC1 ZINC001164493333 1026530059 /nfs/dbraw/zinc/53/00/59/1026530059.db2.gz RUHOCNMJYCGVOL-IEZKXTBUSA-N 1 3 390.575 3.761 20 0 GHADHO C(=CC1CC[NH2+]CC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001165213256 1026669625 /nfs/dbraw/zinc/66/96/25/1026669625.db2.gz XCVGYWJHYMHYKV-QINSGFPZSA-N 1 3 376.548 3.934 20 0 GHADHO Fc1cccc(N(c2cc(N3CCCC3)ccn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001165474315 1026736668 /nfs/dbraw/zinc/73/66/68/1026736668.db2.gz FWDJVHYWACHYHZ-FYYLOGMGSA-N 1 3 396.510 3.870 20 0 GHADHO CCN1C[C@@H]2C[NH+](Cc3ccc(-c4cccc(Br)n4)cc3)C[C@H]2C1 ZINC001140180724 1026953628 /nfs/dbraw/zinc/95/36/28/1026953628.db2.gz PQJYTGICPHINSE-QZTJIDSGSA-N 1 3 386.337 3.895 20 0 GHADHO C[C@@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001141775455 1027213704 /nfs/dbraw/zinc/21/37/04/1027213704.db2.gz PGLNPZPMUKTXDY-WZONZLPQSA-N 1 3 386.499 3.640 20 0 GHADHO C[C@@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001141775455 1027213724 /nfs/dbraw/zinc/21/37/24/1027213724.db2.gz PGLNPZPMUKTXDY-WZONZLPQSA-N 1 3 386.499 3.640 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(C)OCCc3ccccc32)CC1 ZINC001203486065 1027374991 /nfs/dbraw/zinc/37/49/91/1027374991.db2.gz UUZJLMMBSOXFGD-RUZDIDTESA-N 1 3 393.575 3.796 20 0 GHADHO COc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829650 1027639498 /nfs/dbraw/zinc/63/94/98/1027639498.db2.gz GSONWLNLKBMODJ-OAQYLSRUSA-N 1 3 382.504 3.574 20 0 GHADHO COc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829650 1027639503 /nfs/dbraw/zinc/63/95/03/1027639503.db2.gz GSONWLNLKBMODJ-OAQYLSRUSA-N 1 3 382.504 3.574 20 0 GHADHO COC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3ccc(OC)c4ccccc34)CC2)C1 ZINC001203997695 1027794973 /nfs/dbraw/zinc/79/49/73/1027794973.db2.gz WAKMRQQJNNZULT-LJQANCHMSA-N 1 3 396.531 3.698 20 0 GHADHO COc1cc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)ccc1OCc1ccc(F)cc1 ZINC001204089771 1027867375 /nfs/dbraw/zinc/86/73/75/1027867375.db2.gz QOOCNDHSOVZVEM-CEWLAPEOSA-N 1 3 384.495 3.843 20 0 GHADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(Cl)c(C)cc1Br ZINC001461342980 1069509172 /nfs/dbraw/zinc/50/91/72/1069509172.db2.gz FMKDRUOATQNROC-AWEZNQCLSA-N 1 3 377.754 3.857 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001461345404 1069510799 /nfs/dbraw/zinc/51/07/99/1069510799.db2.gz NASVVGGQBHQCRP-RPWUZVMVSA-N 1 3 380.532 3.733 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(OC(F)(F)F)cc1 ZINC001461379231 1069525926 /nfs/dbraw/zinc/52/59/26/1069525926.db2.gz MMAHMNWBDVFHCA-IBGZPJMESA-N 1 3 394.437 3.832 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(OC(F)(F)F)cc1 ZINC001461379231 1069525932 /nfs/dbraw/zinc/52/59/32/1069525932.db2.gz MMAHMNWBDVFHCA-IBGZPJMESA-N 1 3 394.437 3.832 20 0 GHADHO Cc1c([C@H](C)NCCCCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000843342325 1029927115 /nfs/dbraw/zinc/92/71/15/1029927115.db2.gz KELWYGZULJOFGX-ZDUSSCGKSA-N 1 3 380.334 3.508 20 0 GHADHO CS(=O)(=O)c1cccc([C@H](NCCCCCC[NH3+])c2ccc(F)c(F)c2)c1 ZINC000843341597 1029927359 /nfs/dbraw/zinc/92/73/59/1029927359.db2.gz JXGJKFNIKHOZHN-FQEVSTJZSA-N 1 3 396.503 3.566 20 0 GHADHO CS(=O)(=O)c1cccc([C@@H](NCCCCCC[NH3+])c2ccc(Cl)cc2)c1 ZINC000843341923 1029927374 /nfs/dbraw/zinc/92/73/74/1029927374.db2.gz LURUDLGOCGTEJL-FQEVSTJZSA-N 1 3 394.968 3.942 20 0 GHADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000843363680 1029940599 /nfs/dbraw/zinc/94/05/99/1029940599.db2.gz IYHYORZMEBZRRZ-JOCHJYFZSA-N 1 3 397.950 3.621 20 0 GHADHO Cc1cc2oc(=O)cc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)c2cc1C(C)C ZINC000843389109 1029957461 /nfs/dbraw/zinc/95/74/61/1029957461.db2.gz HOUZPXBMLHFHLJ-OFNKIYASSA-N 1 3 384.520 3.553 20 0 GHADHO CCOC(=O)[C@@H]1CC2(CN1CC[C@@H](C)CCCC(C)(C)OC)CC[NH2+]CC2 ZINC001222215383 1030011127 /nfs/dbraw/zinc/01/11/27/1030011127.db2.gz DGMSBQJPMPVMIA-OALUTQOASA-N 1 3 382.589 3.615 20 0 GHADHO Brc1cc(CN2CCC3(CCC[NH2+]C3)CC2)ccc1-n1cccn1 ZINC001222457540 1030143872 /nfs/dbraw/zinc/14/38/72/1030143872.db2.gz OPVBQTZJACYXMO-UHFFFAOYSA-N 1 3 389.341 3.600 20 0 GHADHO N[C@@H](C(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1)C1CC[NH2+]CC1 ZINC001218608193 1031003160 /nfs/dbraw/zinc/00/31/60/1031003160.db2.gz SPRRDPMBCCSAMR-OAHLLOKOSA-N 1 3 383.439 3.699 20 0 GHADHO N[C@H](CC(=O)Nc1ccc2c(c1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC001218937377 1031163163 /nfs/dbraw/zinc/16/31/63/1031163163.db2.gz UQRGXPICHJBQFP-GOSISDBHSA-N 1 3 378.303 3.710 20 0 GHADHO N[C@H](CC(=O)Nc1ccc2c(c1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC001218937347 1031163523 /nfs/dbraw/zinc/16/35/23/1031163523.db2.gz SQOGBUJYZMCODH-QGZVFWFLSA-N 1 3 378.303 3.710 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC001220610458 1032010502 /nfs/dbraw/zinc/01/05/02/1032010502.db2.gz IUQVZTGKQGCKGF-FCHUYYIVSA-N 1 3 388.600 3.653 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001156965289 1033346436 /nfs/dbraw/zinc/34/64/36/1033346436.db2.gz SMBONBYOPLCCBS-PZJWPPBQSA-N 1 3 399.579 3.687 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001156965289 1033346447 /nfs/dbraw/zinc/34/64/47/1033346447.db2.gz SMBONBYOPLCCBS-PZJWPPBQSA-N 1 3 399.579 3.687 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CC12CC(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC001205554151 1033466098 /nfs/dbraw/zinc/46/60/98/1033466098.db2.gz AKSNLTJUAPPELB-XTNNAYBXSA-N 1 3 377.573 3.819 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CC12CC(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC001205554151 1033466106 /nfs/dbraw/zinc/46/61/06/1033466106.db2.gz AKSNLTJUAPPELB-XTNNAYBXSA-N 1 3 377.573 3.819 20 0 GHADHO Cc1cc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c(Cl)cc1Cl ZINC001277443451 1033881920 /nfs/dbraw/zinc/88/19/20/1033881920.db2.gz PKMOGCUIZWTYNW-UHFFFAOYSA-N 1 3 398.378 3.678 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001207092304 1034087166 /nfs/dbraw/zinc/08/71/66/1034087166.db2.gz DHSUYSNPFDYGNJ-KNQAVFIVSA-N 1 3 380.532 3.906 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001207185972 1034156540 /nfs/dbraw/zinc/15/65/40/1034156540.db2.gz RNKWCBCXIKRFIB-UHFFFAOYSA-N 1 3 391.600 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001207185972 1034156546 /nfs/dbraw/zinc/15/65/46/1034156546.db2.gz RNKWCBCXIKRFIB-UHFFFAOYSA-N 1 3 391.600 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207245120 1034208745 /nfs/dbraw/zinc/20/87/45/1034208745.db2.gz RNCGQTYOUPZMQT-VSKRKVRLSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207245120 1034208761 /nfs/dbraw/zinc/20/87/61/1034208761.db2.gz RNCGQTYOUPZMQT-VSKRKVRLSA-N 1 3 399.579 3.697 20 0 GHADHO Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC001230859242 1034255946 /nfs/dbraw/zinc/25/59/46/1034255946.db2.gz UUVWBBSNFWHFIR-NNWRFLSQSA-N 1 3 388.600 3.545 20 0 GHADHO Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC001230859242 1034255960 /nfs/dbraw/zinc/25/59/60/1034255960.db2.gz UUVWBBSNFWHFIR-NNWRFLSQSA-N 1 3 388.600 3.545 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001230887469 1034272857 /nfs/dbraw/zinc/27/28/57/1034272857.db2.gz ZFFHISCPZSGZPK-SESVDKBCSA-N 1 3 386.584 3.726 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001230887469 1034272864 /nfs/dbraw/zinc/27/28/64/1034272864.db2.gz ZFFHISCPZSGZPK-SESVDKBCSA-N 1 3 386.584 3.726 20 0 GHADHO C[NH+]1CCC(CN2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001207395212 1034340102 /nfs/dbraw/zinc/34/01/02/1034340102.db2.gz QXVIOMKLHRXZOS-SFTDATJTSA-N 1 3 385.552 3.547 20 0 GHADHO Clc1ccc(CCC[N@@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001207598030 1034474386 /nfs/dbraw/zinc/47/43/86/1034474386.db2.gz BJBRDNMXTYPUCT-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO Clc1ccc(CCC[N@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001207598030 1034474392 /nfs/dbraw/zinc/47/43/92/1034474392.db2.gz BJBRDNMXTYPUCT-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO COC(=O)c1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1O ZINC001231418326 1034568698 /nfs/dbraw/zinc/56/86/98/1034568698.db2.gz QTNURBLZEAIGGT-LEWJYISDSA-N 1 3 394.515 3.523 20 0 GHADHO COC(=O)c1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1O ZINC001231418326 1034568708 /nfs/dbraw/zinc/56/87/08/1034568708.db2.gz QTNURBLZEAIGGT-LEWJYISDSA-N 1 3 394.515 3.523 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)nc4cc[nH]c43)c3ccccc23)CC1 ZINC001159460412 1034605844 /nfs/dbraw/zinc/60/58/44/1034605844.db2.gz UMMWNBZKHQOIIO-UHFFFAOYSA-N 1 3 394.910 3.521 20 0 GHADHO Clc1cc(NC2=CCN(Cc3ccccc3)CC2)ccc1N1CC[NH2+]CC1 ZINC001159858864 1034765948 /nfs/dbraw/zinc/76/59/48/1034765948.db2.gz NVPZYZSICYHQAN-UHFFFAOYSA-N 1 3 382.939 3.951 20 0 GHADHO CN(C)CC1(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)CCCC1 ZINC001208190564 1034784481 /nfs/dbraw/zinc/78/44/81/1034784481.db2.gz GJKXTTPQYCGWHU-PMVMPFDFSA-N 1 3 384.612 3.736 20 0 GHADHO CN(C)CC1(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)CCCC1 ZINC001208190564 1034784494 /nfs/dbraw/zinc/78/44/94/1034784494.db2.gz GJKXTTPQYCGWHU-PMVMPFDFSA-N 1 3 384.612 3.736 20 0 GHADHO C1=C2CCCN(C[C@H]3COC4(CCCCC4)O3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001208641603 1034965146 /nfs/dbraw/zinc/96/51/46/1034965146.db2.gz MOXWBBPTWGPWTF-JFDBCFPISA-N 1 3 386.580 3.957 20 0 GHADHO C1=C2CCCN(C[C@H]3COC4(CCCCC4)O3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001208641603 1034965149 /nfs/dbraw/zinc/96/51/49/1034965149.db2.gz MOXWBBPTWGPWTF-JFDBCFPISA-N 1 3 386.580 3.957 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001231908146 1034983430 /nfs/dbraw/zinc/98/34/30/1034983430.db2.gz YVGQZNHOJGSMBI-LJQANCHMSA-N 1 3 396.560 3.880 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001160644164 1035024511 /nfs/dbraw/zinc/02/45/11/1035024511.db2.gz VKNJZTLAKINJAC-FQEVSTJZSA-N 1 3 397.966 3.756 20 0 GHADHO c1c(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)nc2cc[nH]cc1-2 ZINC001232013725 1035044894 /nfs/dbraw/zinc/04/48/94/1035044894.db2.gz SXYAZDUIESAJHY-QPPBQGQZSA-N 1 3 394.563 3.523 20 0 GHADHO c1c(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)nc2cc[nH]cc1-2 ZINC001232013725 1035044901 /nfs/dbraw/zinc/04/49/01/1035044901.db2.gz SXYAZDUIESAJHY-QPPBQGQZSA-N 1 3 394.563 3.523 20 0 GHADHO c1c2cnccc2[nH]c1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001232013725 1035044907 /nfs/dbraw/zinc/04/49/07/1035044907.db2.gz SXYAZDUIESAJHY-QPPBQGQZSA-N 1 3 394.563 3.523 20 0 GHADHO c1c2cnccc2[nH]c1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001232013725 1035044914 /nfs/dbraw/zinc/04/49/14/1035044914.db2.gz SXYAZDUIESAJHY-QPPBQGQZSA-N 1 3 394.563 3.523 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208933182 1035096838 /nfs/dbraw/zinc/09/68/38/1035096838.db2.gz USAQOSAEXWNKJS-NRFANRHFSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208933182 1035096847 /nfs/dbraw/zinc/09/68/47/1035096847.db2.gz USAQOSAEXWNKJS-NRFANRHFSA-N 1 3 399.579 3.984 20 0 GHADHO COC(=O)CCN(Cc1ccccc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938465 1035107133 /nfs/dbraw/zinc/10/71/33/1035107133.db2.gz ZYGFXLQPBDPJGS-HSZRJFAPSA-N 1 3 380.532 3.964 20 0 GHADHO COC(=O)CCN(Cc1ccccc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938465 1035107137 /nfs/dbraw/zinc/10/71/37/1035107137.db2.gz ZYGFXLQPBDPJGS-HSZRJFAPSA-N 1 3 380.532 3.964 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001161058613 1035128446 /nfs/dbraw/zinc/12/84/46/1035128446.db2.gz ZJUHPZFBKTUKOO-FQEVSTJZSA-N 1 3 395.572 3.663 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161058613 1035128449 /nfs/dbraw/zinc/12/84/49/1035128449.db2.gz ZJUHPZFBKTUKOO-FQEVSTJZSA-N 1 3 395.572 3.663 20 0 GHADHO C[NH+]1CCC(N(C(=O)[C@@H](N)Cc2cccc3ccccc32)C2CCCC2)CC1 ZINC001161453347 1035234273 /nfs/dbraw/zinc/23/42/73/1035234273.db2.gz DRCIZYOJIUXFHJ-QHCPKHFHSA-N 1 3 379.548 3.575 20 0 GHADHO C[NH+]1CCC2(CN(CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)CC1 ZINC001209310616 1035237442 /nfs/dbraw/zinc/23/74/42/1035237442.db2.gz KPDGVABBVDULDQ-UHFFFAOYSA-N 1 3 379.589 3.974 20 0 GHADHO CCN([C@H]1CCOC1)C1CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209359095 1035252552 /nfs/dbraw/zinc/25/25/52/1035252552.db2.gz RZKVUIFSQOTCKI-FQEVSTJZSA-N 1 3 397.604 3.647 20 0 GHADHO CC[C@H](C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468381 1035283311 /nfs/dbraw/zinc/28/33/11/1035283311.db2.gz MAHWRQUUCKNJFX-WOJBJXKFSA-N 1 3 375.557 3.744 20 0 GHADHO CC[C@H](C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468381 1035283314 /nfs/dbraw/zinc/28/33/14/1035283314.db2.gz MAHWRQUUCKNJFX-WOJBJXKFSA-N 1 3 375.557 3.744 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1csc(C)c1)CC2 ZINC001248801875 1036173302 /nfs/dbraw/zinc/17/33/02/1036173302.db2.gz KQDOIKNWBTWKPU-OAQYLSRUSA-N 1 3 385.577 3.955 20 0 GHADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccc(/C=C/c2ccccc2)cc1 ZINC001246014428 1037133320 /nfs/dbraw/zinc/13/33/20/1037133320.db2.gz LXVMUMZWQQNTOH-ANFQMTPCSA-N 1 3 386.539 3.920 20 0 GHADHO C[C@](O)(C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2)c1ccccc1 ZINC001246023538 1037141640 /nfs/dbraw/zinc/14/16/40/1037141640.db2.gz CUVZDANIQFWQDX-RPWUZVMVSA-N 1 3 394.559 3.698 20 0 GHADHO C[C@](O)(C[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2)c1ccccc1 ZINC001246023538 1037141646 /nfs/dbraw/zinc/14/16/46/1037141646.db2.gz CUVZDANIQFWQDX-RPWUZVMVSA-N 1 3 394.559 3.698 20 0 GHADHO C[C@](O)(CN1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246023538 1037141651 /nfs/dbraw/zinc/14/16/51/1037141651.db2.gz CUVZDANIQFWQDX-RPWUZVMVSA-N 1 3 394.559 3.698 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(N[C@@H](C[NH3+])c2ccccc2)CC1 ZINC001246079337 1037189321 /nfs/dbraw/zinc/18/93/21/1037189321.db2.gz YGHFFGZBQWPOBL-FUHYEJFZSA-N 1 3 386.923 3.983 20 0 GHADHO Brc1cccc(OCC[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246099288 1037193978 /nfs/dbraw/zinc/19/39/78/1037193978.db2.gz GOPGPFGVNCKCOU-MOPGFXCFSA-N 1 3 389.337 3.781 20 0 GHADHO CC[C@@H]1C[C@H](NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)C[C@H](CC)[NH2+]1 ZINC001246281336 1037274067 /nfs/dbraw/zinc/27/40/67/1037274067.db2.gz OAQNTGLTHADDBO-SPOLIRPYSA-N 1 3 398.588 3.527 20 0 GHADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246293293 1037281465 /nfs/dbraw/zinc/28/14/65/1037281465.db2.gz YELDNDZCWGPIQP-WHLIWEHUSA-N 1 3 385.596 3.569 20 0 GHADHO Fc1cccc(CN2CCC([NH2+][C@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)c1F ZINC001246352222 1037310462 /nfs/dbraw/zinc/31/04/62/1037310462.db2.gz BEKHYECVXFMFOY-VXKWHMMOSA-N 1 3 399.529 3.882 20 0 GHADHO COc1ccc(CN2CC[C@H](N[C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360009 1037320217 /nfs/dbraw/zinc/32/02/17/1037320217.db2.gz DKNHDLLBTRXZFV-HFMPRLQTSA-N 1 3 397.538 3.800 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)c1 ZINC001246372047 1037329102 /nfs/dbraw/zinc/32/91/02/1037329102.db2.gz BUOGXMYREMMQMC-IFMALSPDSA-N 1 3 384.495 3.823 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246379355 1037336775 /nfs/dbraw/zinc/33/67/75/1037336775.db2.gz CSAMSISHTRNZBU-IBGZPJMESA-N 1 3 382.504 3.614 20 0 GHADHO COc1cccc(CC2([NH2+][C@H]3CCc4c(F)cc(F)cc4C3)CCNCC2)c1 ZINC001246378812 1037337427 /nfs/dbraw/zinc/33/74/27/1037337427.db2.gz UGRHQPMCQDCNTL-IBGZPJMESA-N 1 3 386.486 3.785 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H](NC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246392042 1037352858 /nfs/dbraw/zinc/35/28/58/1037352858.db2.gz XODFLEDLPWMQSH-DOTOQJQBSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CCNCC2)C1 ZINC001246392042 1037352873 /nfs/dbraw/zinc/35/28/73/1037352873.db2.gz XODFLEDLPWMQSH-DOTOQJQBSA-N 1 3 398.469 3.692 20 0 GHADHO CCCCC(CCCC)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246407979 1037363608 /nfs/dbraw/zinc/36/36/08/1037363608.db2.gz AVIUFRWPWWPOBE-SRHPJPHMSA-N 1 3 384.605 3.627 20 0 GHADHO COc1cccc(C2(N[C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246414875 1037369810 /nfs/dbraw/zinc/36/98/10/1037369810.db2.gz JVRCQYVVTLLTSM-DENIHFKCSA-N 1 3 379.548 3.527 20 0 GHADHO CCOC(=O)[C@H]1CC[C@@H](NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246427408 1037384903 /nfs/dbraw/zinc/38/49/03/1037384903.db2.gz GAVUQLXINUNFOE-FUHWJXTLSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246427408 1037384924 /nfs/dbraw/zinc/38/49/24/1037384924.db2.gz GAVUQLXINUNFOE-FUHWJXTLSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246430553 1037392040 /nfs/dbraw/zinc/39/20/40/1037392040.db2.gz NCFVXVHYYNCCAE-MAUKXSAKSA-N 1 3 398.469 3.996 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2C[C@@H](CN)CC[C@H]2C)CC1 ZINC001246595510 1037495695 /nfs/dbraw/zinc/49/56/95/1037495695.db2.gz ZYMIPFOBPBPWKZ-FIZWLOMBSA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@@H](CN)CC[C@H]2C)CC1 ZINC001246595510 1037495711 /nfs/dbraw/zinc/49/57/11/1037495711.db2.gz ZYMIPFOBPBPWKZ-FIZWLOMBSA-N 1 3 378.944 3.753 20 0 GHADHO CC(=O)Oc1ccc(C2CCC([N@@H+]3C[C@@H]4CNC[C@]4(C(F)(F)F)C3)CC2)cc1 ZINC001246653408 1037529604 /nfs/dbraw/zinc/52/96/04/1037529604.db2.gz DLOIQPWMDFLXHR-DJANBRAMSA-N 1 3 396.453 3.722 20 0 GHADHO CC(=O)Oc1ccc(C2CCC([N@H+]3C[C@@H]4CNC[C@]4(C(F)(F)F)C3)CC2)cc1 ZINC001246653408 1037529616 /nfs/dbraw/zinc/52/96/16/1037529616.db2.gz DLOIQPWMDFLXHR-DJANBRAMSA-N 1 3 396.453 3.722 20 0 GHADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246716344 1037566397 /nfs/dbraw/zinc/56/63/97/1037566397.db2.gz CZRUPKLHBQQKOB-RAKJYXHLSA-N 1 3 395.572 3.711 20 0 GHADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246716344 1037566405 /nfs/dbraw/zinc/56/64/05/1037566405.db2.gz CZRUPKLHBQQKOB-RAKJYXHLSA-N 1 3 395.572 3.711 20 0 GHADHO Cc1cccc(N2C[C@@]3(CCN([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)c1 ZINC001246750149 1037590342 /nfs/dbraw/zinc/59/03/42/1037590342.db2.gz SVUKTNASVVPIFF-GGAORHGYSA-N 1 3 381.564 3.879 20 0 GHADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+]([C@H]3CCN[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753319 1037592752 /nfs/dbraw/zinc/59/27/52/1037592752.db2.gz KMXRWFOOYYMHGF-JKBKZWBZSA-N 1 3 378.564 3.825 20 0 GHADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+]([C@H]3CCN[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753319 1037592765 /nfs/dbraw/zinc/59/27/65/1037592765.db2.gz KMXRWFOOYYMHGF-JKBKZWBZSA-N 1 3 378.564 3.825 20 0 GHADHO CC[C@@H]1C[C@@H](N2CCC3(CC2)Cc2ccccc2CN(CC(C)C)C3=O)CC[NH2+]1 ZINC001246754129 1037594941 /nfs/dbraw/zinc/59/49/41/1037594941.db2.gz SOGKTCTWDDAMLI-PKTZIBPZSA-N 1 3 397.607 3.840 20 0 GHADHO O=C1N(c2cccc(F)c2)CC12CCN([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246769772 1037610248 /nfs/dbraw/zinc/61/02/48/1037610248.db2.gz WXZZILLYKKQAJN-FQEVSTJZSA-N 1 3 385.527 3.709 20 0 GHADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C3C[C@H](CC)[NH2+][C@@H](CC)C3)C1)C2 ZINC001246882138 1037697157 /nfs/dbraw/zinc/69/71/57/1037697157.db2.gz WVRSKXGGFMXIKY-KCOOYEKVSA-N 1 3 384.564 3.891 20 0 GHADHO CC[C@H]1CN(Cc2ccccc2)CCN1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246913040 1037721822 /nfs/dbraw/zinc/72/18/22/1037721822.db2.gz JLXXTMBTQDLKPL-DSNGMDLFSA-N 1 3 377.576 3.946 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246960180 1037780874 /nfs/dbraw/zinc/78/08/74/1037780874.db2.gz ALUCPBRESKLWBC-HXUWFJFHSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246960180 1037780901 /nfs/dbraw/zinc/78/09/01/1037780901.db2.gz ALUCPBRESKLWBC-HXUWFJFHSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@@H](N(Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001246960180 1037780921 /nfs/dbraw/zinc/78/09/21/1037780921.db2.gz ALUCPBRESKLWBC-HXUWFJFHSA-N 1 3 391.531 3.699 20 0 GHADHO CN1CCC([N@H+](C2CCNCC2)[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993636 1037816786 /nfs/dbraw/zinc/81/67/86/1037816786.db2.gz LPWSXVLXTYCZEN-IBGZPJMESA-N 1 3 396.406 3.999 20 0 GHADHO CN1CCC([N@@H+](C2CCNCC2)[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993636 1037816806 /nfs/dbraw/zinc/81/68/06/1037816806.db2.gz LPWSXVLXTYCZEN-IBGZPJMESA-N 1 3 396.406 3.999 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@H](O)c1ccc(F)cc1)CC2 ZINC001252843601 1039203893 /nfs/dbraw/zinc/20/38/93/1039203893.db2.gz WJJRXUJQSSZOJU-PKTZIBPZSA-N 1 3 398.522 3.615 20 0 GHADHO CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC001252931802 1039268408 /nfs/dbraw/zinc/26/84/08/1039268408.db2.gz MXYJRMHTRWRGIS-SIKLNZKXSA-N 1 3 388.600 3.929 20 0 GHADHO CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC001252931802 1039268412 /nfs/dbraw/zinc/26/84/12/1039268412.db2.gz MXYJRMHTRWRGIS-SIKLNZKXSA-N 1 3 388.600 3.929 20 0 GHADHO Cc1ccc(Cl)c(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1F ZINC001252949529 1039293696 /nfs/dbraw/zinc/29/36/96/1039293696.db2.gz OCKDVXALCHCXBR-NRFANRHFSA-N 1 3 376.903 3.557 20 0 GHADHO Cc1ccc(Cl)c(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1F ZINC001252949529 1039293704 /nfs/dbraw/zinc/29/37/04/1039293704.db2.gz OCKDVXALCHCXBR-NRFANRHFSA-N 1 3 376.903 3.557 20 0 GHADHO OC1(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038010 1039968767 /nfs/dbraw/zinc/96/87/67/1039968767.db2.gz XBXPZXOUDCWJDL-QHCPKHFHSA-N 1 3 380.532 3.557 20 0 GHADHO OC1(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038010 1039968770 /nfs/dbraw/zinc/96/87/70/1039968770.db2.gz XBXPZXOUDCWJDL-QHCPKHFHSA-N 1 3 380.532 3.557 20 0 GHADHO CC(C)(C)Oc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001254053232 1039977717 /nfs/dbraw/zinc/97/77/17/1039977717.db2.gz JPYPMEFUQDGCHI-UHFFFAOYSA-N 1 3 382.548 3.981 20 0 GHADHO Fc1ccc(N2CCC([NH2+]CC3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001254620687 1040393383 /nfs/dbraw/zinc/39/33/83/1040393383.db2.gz RCPPOYWKAZCZRT-UHFFFAOYSA-N 1 3 382.527 3.691 20 0 GHADHO COC(=O)/C=C/c1cc(F)c(CN2CCCC[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235154707 1040648285 /nfs/dbraw/zinc/64/82/85/1040648285.db2.gz ALBVHINQYAZGTC-XJDXJNMNSA-N 1 3 378.463 3.505 20 0 GHADHO COC(=O)c1ccc(Br)c(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235158052 1040650665 /nfs/dbraw/zinc/65/06/65/1040650665.db2.gz TZYGZKDBXDBUSN-GOSISDBHSA-N 1 3 395.341 3.590 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254998434 1040718926 /nfs/dbraw/zinc/71/89/26/1040718926.db2.gz YHCNENAOUZWZRX-HTIDIIIKSA-N 1 3 393.575 3.515 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254998434 1040718942 /nfs/dbraw/zinc/71/89/42/1040718942.db2.gz YHCNENAOUZWZRX-HTIDIIIKSA-N 1 3 393.575 3.515 20 0 GHADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(Cc1ccc(Cl)c(F)c1)C2 ZINC001235323392 1040793554 /nfs/dbraw/zinc/79/35/54/1040793554.db2.gz CTVLXCKHJQMRQQ-GHTZIAJQSA-N 1 3 394.918 3.624 20 0 GHADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(Cc1ccc(Cl)cc1F)C2 ZINC001235326281 1040796155 /nfs/dbraw/zinc/79/61/55/1040796155.db2.gz VMHPHNADDGLBHS-GHTZIAJQSA-N 1 3 394.918 3.624 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255123570 1040815386 /nfs/dbraw/zinc/81/53/86/1040815386.db2.gz CWRHYUIYQZUULU-PLACYPQZSA-N 1 3 385.552 3.781 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123570 1040815401 /nfs/dbraw/zinc/81/54/01/1040815401.db2.gz CWRHYUIYQZUULU-PLACYPQZSA-N 1 3 385.552 3.781 20 0 GHADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001255128159 1040820680 /nfs/dbraw/zinc/82/06/80/1040820680.db2.gz MMIMVBKBLOIIPB-WBDAEOGXSA-N 1 3 389.543 3.751 20 0 GHADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001255128159 1040820691 /nfs/dbraw/zinc/82/06/91/1040820691.db2.gz MMIMVBKBLOIIPB-WBDAEOGXSA-N 1 3 389.543 3.751 20 0 GHADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136438 1040840112 /nfs/dbraw/zinc/84/01/12/1040840112.db2.gz LBQBPHYPBHPYOG-PKOFMYQESA-N 1 3 382.470 3.817 20 0 GHADHO C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136438 1040840129 /nfs/dbraw/zinc/84/01/29/1040840129.db2.gz LBQBPHYPBHPYOG-PKOFMYQESA-N 1 3 382.470 3.817 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC(Oc4ncccn4)CC2)C3)cc1 ZINC001255145902 1040857853 /nfs/dbraw/zinc/85/78/53/1040857853.db2.gz XCGRKFTXDRFICN-WKCHPHFGSA-N 1 3 378.520 3.515 20 0 GHADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255146210 1040860775 /nfs/dbraw/zinc/86/07/75/1040860775.db2.gz DMVGDQXFDWDLPK-CDXCJDFSSA-N 1 3 382.548 3.846 20 0 GHADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255146210 1040860793 /nfs/dbraw/zinc/86/07/93/1040860793.db2.gz DMVGDQXFDWDLPK-CDXCJDFSSA-N 1 3 382.548 3.846 20 0 GHADHO FC(F)(F)c1ccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c(C(F)(F)F)c1 ZINC001235369131 1040870003 /nfs/dbraw/zinc/87/00/03/1040870003.db2.gz QNFZRJGIUVVCAV-IIAWOOMASA-N 1 3 394.359 3.677 20 0 GHADHO CC(C)c1ccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c(Br)c1 ZINC001235377880 1040892236 /nfs/dbraw/zinc/89/22/36/1040892236.db2.gz FOGGFOWDRNQQII-ZHALLVOQSA-N 1 3 379.342 3.525 20 0 GHADHO Cc1ccc(I)cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428148 1040930474 /nfs/dbraw/zinc/93/04/74/1040930474.db2.gz PACUPKKDSOSQMH-JKSUJKDBSA-N 1 3 398.332 3.811 20 0 GHADHO Cc1ccc(I)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235433055 1040934281 /nfs/dbraw/zinc/93/42/81/1040934281.db2.gz WSZOSOWINGPWNG-JKSUJKDBSA-N 1 3 398.332 3.811 20 0 GHADHO COc1cncc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001235464250 1040950349 /nfs/dbraw/zinc/95/03/49/1040950349.db2.gz OQCQBNHRTOLUJX-JOCHJYFZSA-N 1 3 395.547 3.654 20 0 GHADHO COc1cncc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001235464250 1040950350 /nfs/dbraw/zinc/95/03/50/1040950350.db2.gz OQCQBNHRTOLUJX-JOCHJYFZSA-N 1 3 395.547 3.654 20 0 GHADHO c1c2c(nn1CC1CC1)[C@@H](C[NH2+][C@@H]1CCCN(Cc3ccccc3)CC1)OCC2 ZINC001255383477 1040973770 /nfs/dbraw/zinc/97/37/70/1040973770.db2.gz JZBZWNXYFVGKJL-DHIUTWEWSA-N 1 3 394.563 3.551 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255390989 1040979184 /nfs/dbraw/zinc/97/91/84/1040979184.db2.gz MLRGTCVJYDQXKT-HSZRJFAPSA-N 1 3 380.532 3.937 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255390989 1040979190 /nfs/dbraw/zinc/97/91/90/1040979190.db2.gz MLRGTCVJYDQXKT-HSZRJFAPSA-N 1 3 380.532 3.937 20 0 GHADHO COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H]1CCCN(Cc3ccccc3)CC1)C2 ZINC001255397076 1040984121 /nfs/dbraw/zinc/98/41/21/1040984121.db2.gz DRPANVRNQNXGKJ-HSZRJFAPSA-N 1 3 378.516 3.886 20 0 GHADHO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H]1CCCN(Cc3ccccc3)CC1)C2 ZINC001255397076 1040984122 /nfs/dbraw/zinc/98/41/22/1040984122.db2.gz DRPANVRNQNXGKJ-HSZRJFAPSA-N 1 3 378.516 3.886 20 0 GHADHO c1ccc(CN2CCOC3(CCN(CCC[NH2+]C4CCCCC4)CC3)C2)cc1 ZINC001235612688 1041031606 /nfs/dbraw/zinc/03/16/06/1041031606.db2.gz RURNRKBZZPKWLG-UHFFFAOYSA-N 1 3 385.596 3.666 20 0 GHADHO Clc1ccccc1OC1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001235675080 1041133950 /nfs/dbraw/zinc/13/39/50/1041133950.db2.gz OAIVJRFSWDVONA-UHFFFAOYSA-N 1 3 399.966 3.789 20 0 GHADHO O=C(c1ccccc1)N1CCC(C2CCN(CC[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235692197 1041167569 /nfs/dbraw/zinc/16/75/69/1041167569.db2.gz QEXXAHLSVNURAU-HSZRJFAPSA-N 1 3 383.580 3.783 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C[C@H]21 ZINC001255680557 1041212042 /nfs/dbraw/zinc/21/20/42/1041212042.db2.gz ZNDUINNQBYODKM-OHVHLSQMSA-N 1 3 382.596 3.629 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C[C@H]21 ZINC001255680557 1041212055 /nfs/dbraw/zinc/21/20/55/1041212055.db2.gz ZNDUINNQBYODKM-OHVHLSQMSA-N 1 3 382.596 3.629 20 0 GHADHO [NH3+]C12CC(CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)(C1)C2 ZINC001235864740 1041396730 /nfs/dbraw/zinc/39/67/30/1041396730.db2.gz VAJQDEAOWSAWRE-UVKLAMSESA-N 1 3 381.951 3.928 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]CC1(CCOC)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255953635 1041433641 /nfs/dbraw/zinc/43/36/41/1041433641.db2.gz MFKBWORSGODNJI-IBGZPJMESA-N 1 3 399.620 3.750 20 0 GHADHO COCCCN(Cc1c[nH]c2ccc(Br)cc12)C1CC[NH2+]CC1 ZINC001235936581 1041440992 /nfs/dbraw/zinc/44/09/92/1041440992.db2.gz DBWZETTZJOKDTQ-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO COCCC[N@H+](Cc1c[nH]c2ccc(Br)cc12)C1CCNCC1 ZINC001235936581 1041441002 /nfs/dbraw/zinc/44/10/02/1041441002.db2.gz DBWZETTZJOKDTQ-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO COCCC[N@@H+](Cc1c[nH]c2ccc(Br)cc12)C1CCNCC1 ZINC001235936581 1041441008 /nfs/dbraw/zinc/44/10/08/1041441008.db2.gz DBWZETTZJOKDTQ-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO Cn1cc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)c2c1ccnc2Cl ZINC001235978905 1041484677 /nfs/dbraw/zinc/48/46/77/1041484677.db2.gz LTHJBBZGTGDHEV-UHFFFAOYSA-N 1 3 380.923 3.864 20 0 GHADHO CCCN(Cc1ccc(-n2cccn2)c(Br)c1)C1CC[NH2+]CC1 ZINC001236184348 1041602771 /nfs/dbraw/zinc/60/27/71/1041602771.db2.gz JDUDYIWCTCRNSS-UHFFFAOYSA-N 1 3 377.330 3.599 20 0 GHADHO CCC[N@H+](Cc1ccc(-n2cccn2)c(Br)c1)C1CCNCC1 ZINC001236184348 1041602809 /nfs/dbraw/zinc/60/28/09/1041602809.db2.gz JDUDYIWCTCRNSS-UHFFFAOYSA-N 1 3 377.330 3.599 20 0 GHADHO CCC[N@@H+](Cc1ccc(-n2cccn2)c(Br)c1)C1CCNCC1 ZINC001236184348 1041602841 /nfs/dbraw/zinc/60/28/41/1041602841.db2.gz JDUDYIWCTCRNSS-UHFFFAOYSA-N 1 3 377.330 3.599 20 0 GHADHO C[C@H]1CNCC(F)(F)[C@H]1C[NH+]1CCC(N(C)Cc2ccc(Cl)cc2)CC1 ZINC001236214608 1041624220 /nfs/dbraw/zinc/62/42/20/1041624220.db2.gz SKVIHUDKYZDYDS-KXBFYZLASA-N 1 3 385.930 3.727 20 0 GHADHO C[C@H]1CNCC(F)(F)[C@H]1CN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214608 1041624226 /nfs/dbraw/zinc/62/42/26/1041624226.db2.gz SKVIHUDKYZDYDS-KXBFYZLASA-N 1 3 385.930 3.727 20 0 GHADHO C[C@H]1CNCC(F)(F)[C@H]1CN1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214608 1041624235 /nfs/dbraw/zinc/62/42/35/1041624235.db2.gz SKVIHUDKYZDYDS-KXBFYZLASA-N 1 3 385.930 3.727 20 0 GHADHO COc1ccc2c(Br)ccc(CN(C)C3(C)CC[NH2+]CC3)c2n1 ZINC001236226111 1041632297 /nfs/dbraw/zinc/63/22/97/1041632297.db2.gz IQIGVSJZQIJSBH-UHFFFAOYSA-N 1 3 378.314 3.580 20 0 GHADHO COc1ccc2c(Br)ccc(C[N@H+](C)C3(C)CCNCC3)c2n1 ZINC001236226111 1041632301 /nfs/dbraw/zinc/63/23/01/1041632301.db2.gz IQIGVSJZQIJSBH-UHFFFAOYSA-N 1 3 378.314 3.580 20 0 GHADHO COc1ccc2c(Br)ccc(C[N@@H+](C)C3(C)CCNCC3)c2n1 ZINC001236226111 1041632312 /nfs/dbraw/zinc/63/23/12/1041632312.db2.gz IQIGVSJZQIJSBH-UHFFFAOYSA-N 1 3 378.314 3.580 20 0 GHADHO Fc1ccc(CN(Cc2ccnc(Br)c2)CC2CC[NH2+]CC2)cc1 ZINC001236381494 1041690546 /nfs/dbraw/zinc/69/05/46/1041690546.db2.gz KAHNQTHKQJNMAC-UHFFFAOYSA-N 1 3 392.316 3.985 20 0 GHADHO Cc1cc(-c2cccc(Cl)c2)ncc1CN1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001236619652 1041785434 /nfs/dbraw/zinc/78/54/34/1041785434.db2.gz ASYKMWRRSHICIP-FQEVSTJZSA-N 1 3 384.955 3.708 20 0 GHADHO [NH3+]C1CCN([C@@H]2CCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)C2)CC1 ZINC001236620396 1041786634 /nfs/dbraw/zinc/78/66/34/1041786634.db2.gz CBAGAKSBTYYJGS-OAQYLSRUSA-N 1 3 399.966 3.916 20 0 GHADHO COc1ccc(OC)c(CN(Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236701330 1041841413 /nfs/dbraw/zinc/84/14/13/1041841413.db2.gz QDMQADRXMXTQGO-MXVIHJGJSA-N 1 3 384.520 3.985 20 0 GHADHO [NH3+][C@H]1CC[C@H](N(Cc2scc3c2OCCO3)Cc2ccc(F)cc2)CC1 ZINC001236742006 1041868382 /nfs/dbraw/zinc/86/83/82/1041868382.db2.gz KZZFJYWIYRWJJM-QAQDUYKDSA-N 1 3 376.497 3.931 20 0 GHADHO [NH3+][C@H]1CCC12CCN(Cc1cc3c(c(OCc4ccccc4)c1)OCO3)CC2 ZINC001237360246 1042169221 /nfs/dbraw/zinc/16/92/21/1042169221.db2.gz WEPSJDJRPIXTDU-NRFANRHFSA-N 1 3 380.488 3.698 20 0 GHADHO Brc1ccncc1CN1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001237393793 1042187523 /nfs/dbraw/zinc/18/75/23/1042187523.db2.gz VRPAYMVFFZUSQV-UHFFFAOYSA-N 1 3 386.337 3.942 20 0 GHADHO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)C(C(C)C)=NCC4)CC[C@H]21 ZINC001237878491 1042406202 /nfs/dbraw/zinc/40/62/02/1042406202.db2.gz QVJVPJQLOSLTOX-RBBKRZOGSA-N 1 3 381.564 3.767 20 0 GHADHO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)C(C(C)C)=NCC4)CC[C@H]21 ZINC001237878491 1042406203 /nfs/dbraw/zinc/40/62/03/1042406203.db2.gz QVJVPJQLOSLTOX-RBBKRZOGSA-N 1 3 381.564 3.767 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccsc1C)CC2 ZINC001237966147 1042439499 /nfs/dbraw/zinc/43/94/99/1042439499.db2.gz HKLMDLLRPIFOMY-NRFANRHFSA-N 1 3 385.577 3.955 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3cccc(OCC4CCCCC4)c3)CC2)CC1 ZINC001238070160 1042480927 /nfs/dbraw/zinc/48/09/27/1042480927.db2.gz YCMADRZLYRPKMW-UHFFFAOYSA-N 1 3 385.596 3.858 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cc(O)ccc1C)CC2 ZINC001238093846 1042490384 /nfs/dbraw/zinc/49/03/84/1042490384.db2.gz VPGOSEFVAWFBJB-QFIPXVFZSA-N 1 3 395.547 3.599 20 0 GHADHO c1cc(-c2cccc(C[NH+]3CCC4(CCN(Cc5cccnc5)C4)CC3)c2)n[nH]1 ZINC001238210602 1042520921 /nfs/dbraw/zinc/52/09/21/1042520921.db2.gz QYLVLZYULWMFFH-UHFFFAOYSA-N 1 3 387.531 3.960 20 0 GHADHO CC(C)Oc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)c(Br)cn1 ZINC001238533297 1042631689 /nfs/dbraw/zinc/63/16/89/1042631689.db2.gz WPPJGKONVHSKKL-UHFFFAOYSA-N 1 3 396.373 3.939 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3cc(-c4ccccc4)ncc3Cl)CC2)CC1 ZINC001238634266 1042665302 /nfs/dbraw/zinc/66/53/02/1042665302.db2.gz RIFATLSEGRRJCB-UHFFFAOYSA-N 1 3 398.982 3.861 20 0 GHADHO CC(C)(C)OC(=O)Nc1ncc(CC[NH2+]C2CCN(C(C)(C)C)CC2)s1 ZINC001256563914 1043538172 /nfs/dbraw/zinc/53/81/72/1043538172.db2.gz KTMGMFXJHSBGSS-UHFFFAOYSA-N 1 3 382.574 3.885 20 0 GHADHO Brc1ccccc1CCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683059 1043619448 /nfs/dbraw/zinc/61/94/48/1043619448.db2.gz QSZBNXOSDNVTIP-UHFFFAOYSA-N 1 3 381.358 3.615 20 0 GHADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC001292497185 1043764544 /nfs/dbraw/zinc/76/45/44/1043764544.db2.gz POFZPFKAPCFXLW-KSZLIROESA-N 1 3 385.556 3.578 20 0 GHADHO Brc1cc(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]4)(C2)CCC3)ccn1 ZINC001278981169 1043780307 /nfs/dbraw/zinc/78/03/07/1043780307.db2.gz QSKOLXJPTOXILN-RBUKOAKNSA-N 1 3 389.341 3.897 20 0 GHADHO CCOC(=O)CC1(N)CC[NH+]([C@@H](C)CCc2ccc3cc(OC)ccc3c2)CC1 ZINC001257280018 1043954311 /nfs/dbraw/zinc/95/43/11/1043954311.db2.gz ZKJHFBQCFBGXPL-SFHVURJKSA-N 1 3 398.547 3.916 20 0 GHADHO CCOC(=O)CC1([NH3+])CCN([C@@H](C)CCc2ccc3cc(OC)ccc3c2)CC1 ZINC001257280018 1043954313 /nfs/dbraw/zinc/95/43/13/1043954313.db2.gz ZKJHFBQCFBGXPL-SFHVURJKSA-N 1 3 398.547 3.916 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001258001493 1044328824 /nfs/dbraw/zinc/32/88/24/1044328824.db2.gz SZWASBQGHUARHT-AVRDEDQJSA-N 1 3 379.589 3.734 20 0 GHADHO CC(C)CN1CCC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)CC1 ZINC001258013622 1044339937 /nfs/dbraw/zinc/33/99/37/1044339937.db2.gz UVMLSMUXVXSVIQ-UHFFFAOYSA-N 1 3 395.385 3.853 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CC1 ZINC001258014925 1044341601 /nfs/dbraw/zinc/34/16/01/1044341601.db2.gz NIGQKPVFBFUHPT-XZOQPEGZSA-N 1 3 378.601 3.937 20 0 GHADHO CC(C)CN1CCC([N@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CC1 ZINC001258014925 1044341616 /nfs/dbraw/zinc/34/16/16/1044341616.db2.gz NIGQKPVFBFUHPT-XZOQPEGZSA-N 1 3 378.601 3.937 20 0 GHADHO Cc1ccc(N2C[C@@]3(CC[N@@H+](C4CCN(CC(C)C)CC4)C3)CC2=O)s1 ZINC001258014951 1044342026 /nfs/dbraw/zinc/34/20/26/1044342026.db2.gz OPOQAUHZVIEEMT-NRFANRHFSA-N 1 3 375.582 3.606 20 0 GHADHO Cc1ccc(N2C[C@@]3(CC[N@H+](C4CCN(CC(C)C)CC4)C3)CC2=O)s1 ZINC001258014951 1044342038 /nfs/dbraw/zinc/34/20/38/1044342038.db2.gz OPOQAUHZVIEEMT-NRFANRHFSA-N 1 3 375.582 3.606 20 0 GHADHO [NH3+]C1(Cc2ccc(F)cc2)CCN(C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258416241 1044549467 /nfs/dbraw/zinc/54/94/67/1044549467.db2.gz AFLQSSCUJYSBMD-UHFFFAOYSA-N 1 3 385.502 3.970 20 0 GHADHO CCC[N@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294522834 1044682551 /nfs/dbraw/zinc/68/25/51/1044682551.db2.gz OLSKVDJCXNDDND-UHFFFAOYSA-N 1 3 392.636 3.519 20 0 GHADHO CCC[N@@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294522834 1044682560 /nfs/dbraw/zinc/68/25/60/1044682560.db2.gz OLSKVDJCXNDDND-UHFFFAOYSA-N 1 3 392.636 3.519 20 0 GHADHO CCCN1CCC([NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)CC1 ZINC001258773053 1044758211 /nfs/dbraw/zinc/75/82/11/1044758211.db2.gz DPEMDVJCJRXWMX-UHFFFAOYSA-N 1 3 389.609 3.941 20 0 GHADHO COc1cc(C[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc(OC)c1OC ZINC001258860841 1044800894 /nfs/dbraw/zinc/80/08/94/1044800894.db2.gz XRJFXLODHUKPBP-INIZCTEOSA-N 1 3 376.541 3.640 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001296046565 1045233015 /nfs/dbraw/zinc/23/30/15/1045233015.db2.gz UMZRXSOQPBHAEC-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001296046565 1045233024 /nfs/dbraw/zinc/23/30/24/1045233024.db2.gz UMZRXSOQPBHAEC-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1)[NH+](C)C ZINC001296529385 1045332672 /nfs/dbraw/zinc/33/26/72/1045332672.db2.gz HPCCBBWBAPZZLF-FDDCHVKYSA-N 1 3 388.515 3.977 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001301866173 1046734651 /nfs/dbraw/zinc/73/46/51/1046734651.db2.gz AFIWGCOUKCMDNH-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO O[C@@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716835 1047116548 /nfs/dbraw/zinc/11/65/48/1047116548.db2.gz CXXZTDIWINTJEK-FPOVZHCZSA-N 1 3 388.939 3.582 20 0 GHADHO O[C@@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716835 1047116554 /nfs/dbraw/zinc/11/65/54/1047116554.db2.gz CXXZTDIWINTJEK-FPOVZHCZSA-N 1 3 388.939 3.582 20 0 GHADHO CN1CCC[C@H](C[N@@H+]2CCC[C@@]3(CCCN(CCCC(F)(F)F)C3)C2)C1 ZINC001279501768 1047826565 /nfs/dbraw/zinc/82/65/65/1047826565.db2.gz JKQCSJSALKWNLA-RBUKOAKNSA-N 1 3 375.523 3.849 20 0 GHADHO CN1CCC[C@H](C[N@H+]2CCC[C@@]3(CCCN(CCCC(F)(F)F)C3)C2)C1 ZINC001279501768 1047826571 /nfs/dbraw/zinc/82/65/71/1047826571.db2.gz JKQCSJSALKWNLA-RBUKOAKNSA-N 1 3 375.523 3.849 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3nccc4c3CCCC4)CC2)c1 ZINC001308198210 1049909710 /nfs/dbraw/zinc/90/97/10/1049909710.db2.gz QCQHZBZZTUNKIT-UHFFFAOYSA-N 1 3 392.591 3.961 20 0 GHADHO CC(C)(C)OC(=O)C1CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001308635792 1050042871 /nfs/dbraw/zinc/04/28/71/1050042871.db2.gz SRQSFHSAFYURBT-OAADDMNDSA-N 1 3 384.564 3.997 20 0 GHADHO CC(C)(C)OC(=O)C1CC(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001308635792 1050042874 /nfs/dbraw/zinc/04/28/74/1050042874.db2.gz SRQSFHSAFYURBT-OAADDMNDSA-N 1 3 384.564 3.997 20 0 GHADHO CC(C)(C)OC(=O)C1CC(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001308635792 1050042878 /nfs/dbraw/zinc/04/28/78/1050042878.db2.gz SRQSFHSAFYURBT-OAADDMNDSA-N 1 3 384.564 3.997 20 0 GHADHO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308730067 1050073565 /nfs/dbraw/zinc/07/35/65/1050073565.db2.gz ONKBMZZSSSYRDE-URXFXBBRSA-N 1 3 387.612 3.577 20 0 GHADHO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308730067 1050073572 /nfs/dbraw/zinc/07/35/72/1050073572.db2.gz ONKBMZZSSSYRDE-URXFXBBRSA-N 1 3 387.612 3.577 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccn(C4CCCCC4)n3)CC2)CC1 ZINC001329919048 1050924779 /nfs/dbraw/zinc/92/47/79/1050924779.db2.gz ZVEKQHRYFJXQNF-UHFFFAOYSA-N 1 3 387.572 3.523 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccsc1 ZINC001311397752 1052094105 /nfs/dbraw/zinc/09/41/05/1052094105.db2.gz WSZUDGTWQTWIDW-SCCNAQOGSA-N 1 3 392.613 3.837 20 0 GHADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC001319500888 1055292267 /nfs/dbraw/zinc/29/22/67/1055292267.db2.gz ZUXZBYABZQSMSI-GOTSBHOMSA-N 1 3 383.580 3.540 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001300646918 1056763260 /nfs/dbraw/zinc/76/32/60/1056763260.db2.gz NCWGXBQWOFXBQY-NNWRFLSQSA-N 1 3 387.612 3.985 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001300646918 1056763265 /nfs/dbraw/zinc/76/32/65/1056763265.db2.gz NCWGXBQWOFXBQY-NNWRFLSQSA-N 1 3 387.612 3.985 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001300646917 1056763847 /nfs/dbraw/zinc/76/38/47/1056763847.db2.gz NCWGXBQWOFXBQY-KSEOMHKRSA-N 1 3 387.612 3.985 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001300646917 1056763861 /nfs/dbraw/zinc/76/38/61/1056763861.db2.gz NCWGXBQWOFXBQY-KSEOMHKRSA-N 1 3 387.612 3.985 20 0 GHADHO COC(=O)/C=C\c1ccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000848914896 1057417890 /nfs/dbraw/zinc/41/78/90/1057417890.db2.gz UPWKDIXNDISBNZ-KTKRTIGZSA-N 1 3 394.515 3.954 20 0 GHADHO CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCN(C)C1 ZINC001326298648 1057451781 /nfs/dbraw/zinc/45/17/81/1057451781.db2.gz KAKUNMSRUYISPE-GLCCWIKHSA-N 1 3 398.595 3.698 20 0 GHADHO CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCN(C)C1 ZINC001326298648 1057451789 /nfs/dbraw/zinc/45/17/89/1057451789.db2.gz KAKUNMSRUYISPE-GLCCWIKHSA-N 1 3 398.595 3.698 20 0 GHADHO [NH2+]=C(NCc1coc(-c2cccs2)n1)NC1CCN(Cc2ccccc2)CC1 ZINC000849056086 1057566436 /nfs/dbraw/zinc/56/64/36/1057566436.db2.gz SZLYKZQEOBGUKG-UHFFFAOYSA-N 1 3 395.532 3.682 20 0 GHADHO CC(C)Oc1ccccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849060061 1057571254 /nfs/dbraw/zinc/57/12/54/1057571254.db2.gz GLZNNPBAPSVLPS-UHFFFAOYSA-N 1 3 380.536 3.752 20 0 GHADHO CC(C)Oc1ccc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849062830 1057572500 /nfs/dbraw/zinc/57/25/00/1057572500.db2.gz UDRWRKPCIUJRAZ-UHFFFAOYSA-N 1 3 394.563 3.795 20 0 GHADHO CCCCOc1ncccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849063730 1057573845 /nfs/dbraw/zinc/57/38/45/1057573845.db2.gz POCUUERANUBGQE-UHFFFAOYSA-N 1 3 395.551 3.539 20 0 GHADHO CC(C)c1ccccc1OCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849089470 1057589178 /nfs/dbraw/zinc/58/91/78/1057589178.db2.gz XQPXFSSZQOOSGA-UHFFFAOYSA-N 1 3 394.563 3.967 20 0 GHADHO CN(CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC001442357491 1058951876 /nfs/dbraw/zinc/95/18/76/1058951876.db2.gz VKOZTENEOGYQQJ-UHFFFAOYSA-N 1 3 386.367 3.758 20 0 GHADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)CC1 ZINC001455897098 1062341902 /nfs/dbraw/zinc/34/19/02/1062341902.db2.gz VEHYYWGDHUEYRI-QFIPXVFZSA-N 1 3 383.580 3.826 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@H+](CCc1ccccc1)C1CCCC1)c1ccccc1 ZINC001459446970 1064100578 /nfs/dbraw/zinc/10/05/78/1064100578.db2.gz BOQLTVCRZCVSBC-DEOSSOPVSA-N 1 3 393.575 3.893 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@@H+](CCc1ccccc1)C1CCCC1)c1ccccc1 ZINC001459446970 1064100585 /nfs/dbraw/zinc/10/05/85/1064100585.db2.gz BOQLTVCRZCVSBC-DEOSSOPVSA-N 1 3 393.575 3.893 20 0 GHADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001463763072 1064596299 /nfs/dbraw/zinc/59/62/99/1064596299.db2.gz NYSYISBFHIKDJX-ZEQRLZLVSA-N 1 3 393.575 3.880 20 0 GHADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001463763072 1064596313 /nfs/dbraw/zinc/59/63/13/1064596313.db2.gz NYSYISBFHIKDJX-ZEQRLZLVSA-N 1 3 393.575 3.880 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)N2CCCC2)cc1 ZINC001468387765 1067713650 /nfs/dbraw/zinc/71/36/50/1067713650.db2.gz JCIMDUIAICXVEU-DHIUTWEWSA-N 1 3 398.595 3.696 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)N2CCCC2)cc1 ZINC001468387765 1067713657 /nfs/dbraw/zinc/71/36/57/1067713657.db2.gz JCIMDUIAICXVEU-DHIUTWEWSA-N 1 3 398.595 3.696 20 0 GHADHO COc1ccc(NC(=[NH2+])NCC2(N3CCC(OC)CC3)CCCC2)cc1Cl ZINC000849101533 1067728207 /nfs/dbraw/zinc/72/82/07/1067728207.db2.gz JLMKQFHJLUGFIO-UHFFFAOYSA-N 1 3 394.947 3.708 20 0 GHADHO CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001469706451 1068325794 /nfs/dbraw/zinc/32/57/94/1068325794.db2.gz CPKJWHISFOMLRC-DWLFOUALSA-N 1 3 388.600 3.517 20 0 GHADHO CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001469706451 1068325808 /nfs/dbraw/zinc/32/58/08/1068325808.db2.gz CPKJWHISFOMLRC-DWLFOUALSA-N 1 3 388.600 3.517 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001470777201 1072733024 /nfs/dbraw/zinc/73/30/24/1072733024.db2.gz KFEUZPZTVWGKLT-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001470825208 1072756980 /nfs/dbraw/zinc/75/69/80/1072756980.db2.gz WPYJYENMMIMYDB-GOTSBHOMSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001470825208 1072756981 /nfs/dbraw/zinc/75/69/81/1072756981.db2.gz WPYJYENMMIMYDB-GOTSBHOMSA-N 1 3 398.595 3.699 20 0 GHADHO CC(C)[C@H](CNC(=O)N[C@H](C)CN(C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001478746403 1078974058 /nfs/dbraw/zinc/97/40/58/1078974058.db2.gz PAPQMRFORLQAQU-IRLDBZIGSA-N 1 3 388.600 3.707 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC001472488510 1073507371 /nfs/dbraw/zinc/50/73/71/1073507371.db2.gz NANPQGOLWZIPRH-HSZRJFAPSA-N 1 3 397.563 3.891 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC001472488510 1073507379 /nfs/dbraw/zinc/50/73/79/1073507379.db2.gz NANPQGOLWZIPRH-HSZRJFAPSA-N 1 3 397.563 3.891 20 0 GHADHO CN(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001473182415 1073838649 /nfs/dbraw/zinc/83/86/49/1073838649.db2.gz CTLVVGFOHHRSAO-NRFANRHFSA-N 1 3 395.547 3.868 20 0 GHADHO CN(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001473182415 1073838657 /nfs/dbraw/zinc/83/86/57/1073838657.db2.gz CTLVVGFOHHRSAO-NRFANRHFSA-N 1 3 395.547 3.868 20 0 GHADHO CC1CC[NH+](CC[C@H]2CCCN2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001473717745 1074105248 /nfs/dbraw/zinc/10/52/48/1074105248.db2.gz ZOPMVYNHALSZSC-JWQCQUIFSA-N 1 3 399.623 3.864 20 0 GHADHO CC1CC[NH+](CC[C@@H]2CCCN2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001473717743 1074105534 /nfs/dbraw/zinc/10/55/34/1074105534.db2.gz ZOPMVYNHALSZSC-DQEYMECFSA-N 1 3 399.623 3.864 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)C1(Cc2ccccc2)CCCC1)c1ccccc1 ZINC001473775686 1074136674 /nfs/dbraw/zinc/13/66/74/1074136674.db2.gz SPYITRYWBBYKPY-QHCPKHFHSA-N 1 3 393.575 3.893 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)C1(Cc2ccccc2)CCCC1)c1ccccc1 ZINC001473775686 1074136678 /nfs/dbraw/zinc/13/66/78/1074136678.db2.gz SPYITRYWBBYKPY-QHCPKHFHSA-N 1 3 393.575 3.893 20 0 GHADHO C[NH+]1CCN(C[C@@H](NCc2cnc(C3CCCC3)s2)c2ccccc2)CC1 ZINC001473976671 1074223886 /nfs/dbraw/zinc/22/38/86/1074223886.db2.gz YQJOJOMVFVULJR-OAQYLSRUSA-N 1 3 384.593 3.879 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)[C@@H](C)C1 ZINC001474001686 1074232320 /nfs/dbraw/zinc/23/23/20/1074232320.db2.gz ADRJUDSVAFUBTN-LAUBAEHRSA-N 1 3 390.959 3.752 20 0 GHADHO CCOc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1OCC(C)C ZINC001474068468 1074253438 /nfs/dbraw/zinc/25/34/38/1074253438.db2.gz XUUMANJTLANMSW-LEWJYISDSA-N 1 3 390.568 3.588 20 0 GHADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(-c4cccs4)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424101 1126206973 /nfs/dbraw/zinc/20/69/73/1126206973.db2.gz XZVGCDULBPEMIA-HNAWSFBYSA-N 1 3 391.606 3.831 20 0 GHADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(-c4cccs4)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424101 1126206975 /nfs/dbraw/zinc/20/69/75/1126206975.db2.gz XZVGCDULBPEMIA-HNAWSFBYSA-N 1 3 391.606 3.831 20 0 GHADHO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(CN3CCCC3)cn2)cc1 ZINC001164625871 719096188 /nfs/dbraw/zinc/09/61/88/719096188.db2.gz HEWXRASKIYNUGC-GOTSBHOMSA-N 1 3 376.548 3.778 20 0 GHADHO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(CN3CCCC3)cn2)cc1 ZINC001164625871 719096197 /nfs/dbraw/zinc/09/61/97/719096197.db2.gz HEWXRASKIYNUGC-GOTSBHOMSA-N 1 3 376.548 3.778 20 0 GHADHO CC1CCN([C@@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c2cccs2)CC1 ZINC000655684666 837668040 /nfs/dbraw/zinc/66/80/40/837668040.db2.gz UJLQJAJSCWKQCM-RTWAWAEBSA-N 1 3 391.625 3.754 20 0 GHADHO CCCOc1ccc([C@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000655691398 837671967 /nfs/dbraw/zinc/67/19/67/837671967.db2.gz AEWACGIOIIOCFJ-PXNSSMCTSA-N 1 3 376.541 3.778 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414393253 837679710 /nfs/dbraw/zinc/67/97/10/837679710.db2.gz NLQPELAZFJDYQR-VGSWGCGISA-N 1 3 388.531 3.546 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879900 834622377 /nfs/dbraw/zinc/62/23/77/834622377.db2.gz JVWPOBMLWSPGGE-DXIQSLLYSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879900 834622383 /nfs/dbraw/zinc/62/23/83/834622383.db2.gz JVWPOBMLWSPGGE-DXIQSLLYSA-N 1 3 375.520 3.971 20 0 GHADHO Clc1ccc(CCN2CCN(CCCC3CC[NH2+]CC3)CC2)cc1Cl ZINC000647990392 834664138 /nfs/dbraw/zinc/66/41/38/834664138.db2.gz WMQXZPUIRCRZRB-UHFFFAOYSA-N 1 3 384.395 3.933 20 0 GHADHO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772480 834678108 /nfs/dbraw/zinc/67/81/08/834678108.db2.gz NMIKXUHZMBRYCO-HXUWFJFHSA-N 1 3 380.580 3.937 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000093769498 834703935 /nfs/dbraw/zinc/70/39/35/834703935.db2.gz XWRBCSCMAHYBHV-UHFFFAOYSA-N 1 3 388.581 3.776 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000093769498 834703944 /nfs/dbraw/zinc/70/39/44/834703944.db2.gz XWRBCSCMAHYBHV-UHFFFAOYSA-N 1 3 388.581 3.776 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000093844266 834707271 /nfs/dbraw/zinc/70/72/71/834707271.db2.gz WMSJARJNXWPAOR-IRXDYDNUSA-N 1 3 388.581 3.850 20 0 GHADHO C[C@H]1C[NH+](CCC2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000093844266 834707277 /nfs/dbraw/zinc/70/72/77/834707277.db2.gz WMSJARJNXWPAOR-IRXDYDNUSA-N 1 3 388.581 3.850 20 0 GHADHO COc1ccc([C@H](Cc2ccc(F)cc2)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000151369443 835404966 /nfs/dbraw/zinc/40/49/66/835404966.db2.gz YKBMDNUNNKAKSX-QHCPKHFHSA-N 1 3 386.511 3.555 20 0 GHADHO CCOc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1OCC ZINC000658141612 835452257 /nfs/dbraw/zinc/45/22/57/835452257.db2.gz SNGVLDAPOREABS-PGRDOPGGSA-N 1 3 398.547 3.901 20 0 GHADHO CCOc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1OCC ZINC000658141612 835452258 /nfs/dbraw/zinc/45/22/58/835452258.db2.gz SNGVLDAPOREABS-PGRDOPGGSA-N 1 3 398.547 3.901 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000109311155 835797412 /nfs/dbraw/zinc/79/74/12/835797412.db2.gz CZXAHURVIKCSNN-PKTZIBPZSA-N 1 3 379.548 3.626 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000109311155 835797418 /nfs/dbraw/zinc/79/74/18/835797418.db2.gz CZXAHURVIKCSNN-PKTZIBPZSA-N 1 3 379.548 3.626 20 0 GHADHO CCN([C@H]1CCOC1)C1CC[NH+](CCCCCCCCCC(=O)OC)CC1 ZINC001209097932 836009325 /nfs/dbraw/zinc/00/93/25/836009325.db2.gz NWFUMHRSZKMRPI-NRFANRHFSA-N 1 3 382.589 3.855 20 0 GHADHO CC[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000413791196 836339378 /nfs/dbraw/zinc/33/93/78/836339378.db2.gz LEFDGRDDGPWMHC-YGDSSSOMSA-N 1 3 377.960 3.710 20 0 GHADHO CC[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000413791196 836339387 /nfs/dbraw/zinc/33/93/87/836339387.db2.gz LEFDGRDDGPWMHC-YGDSSSOMSA-N 1 3 377.960 3.710 20 0 GHADHO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483516 844154398 /nfs/dbraw/zinc/15/43/98/844154398.db2.gz BSENCGMYQNBULP-IFMALSPDSA-N 1 3 387.637 3.848 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000431675910 836676086 /nfs/dbraw/zinc/67/60/86/836676086.db2.gz ZZGYPNSNRUSLPA-ISKFKSNPSA-N 1 3 379.548 3.696 20 0 GHADHO c1ccc([C@@]23C[NH2+]C[C@@H]2CN(c2nc(N4CCCC4)cc4ccccc42)C3)cc1 ZINC001167207508 836906659 /nfs/dbraw/zinc/90/66/59/836906659.db2.gz DWBLXLNZGXHUTJ-BWKNWUBXSA-N 1 3 384.527 3.812 20 0 GHADHO COC[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000414304399 836991271 /nfs/dbraw/zinc/99/12/71/836991271.db2.gz MHUWUVYLOBTWOB-OAQYLSRUSA-N 1 3 388.939 3.644 20 0 GHADHO O=C(Cc1ccccc1)N1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000510958184 844250000 /nfs/dbraw/zinc/25/00/00/844250000.db2.gz LBXYMQQDZGVCPR-JOCHJYFZSA-N 1 3 383.580 3.607 20 0 GHADHO C/C(=C/c1ccccc1OC(F)F)CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000685847775 837265813 /nfs/dbraw/zinc/26/58/13/837265813.db2.gz XWYVEFKSZKFUMG-SDXDJHTJSA-N 1 3 393.522 3.651 20 0 GHADHO COc1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c(OC)c1OC ZINC000030909932 837350098 /nfs/dbraw/zinc/35/00/98/837350098.db2.gz FRNNCFRRVOXLFQ-UHFFFAOYSA-N 1 3 384.520 3.509 20 0 GHADHO C[NH+](C)C1(CNCCC(=O)Nc2cccc(Br)c2)CCCCC1 ZINC000605593154 837959469 /nfs/dbraw/zinc/95/94/69/837959469.db2.gz BTLKMNZBZLYEFP-UHFFFAOYSA-N 1 3 382.346 3.632 20 0 GHADHO CN(CCCO)C1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000549801257 844303415 /nfs/dbraw/zinc/30/34/15/844303415.db2.gz DSNZFGKZXUSXFW-UHFFFAOYSA-N 1 3 388.502 3.875 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000415952247 838312205 /nfs/dbraw/zinc/31/22/05/838312205.db2.gz JBOLZYHMFULHQE-UHFFFAOYSA-N 1 3 395.551 3.890 20 0 GHADHO [NH3+]C[C@H]1CN(Cc2cccc(OCc3ccc(F)cc3)c2)CC12CCOCC2 ZINC000580192398 839027860 /nfs/dbraw/zinc/02/78/60/839027860.db2.gz MYSUVGLJBOGDFE-FQEVSTJZSA-N 1 3 384.495 3.592 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415131097 839257786 /nfs/dbraw/zinc/25/77/86/839257786.db2.gz YNWJCUOFLPYZDB-IFMALSPDSA-N 1 3 390.568 3.983 20 0 GHADHO COc1ccccc1[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)N(C)C ZINC000153299789 839536454 /nfs/dbraw/zinc/53/64/54/839536454.db2.gz NLXOGYKLTINXLR-QHCPKHFHSA-N 1 3 399.554 3.734 20 0 GHADHO c1cn(Cc2ccccc2CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000580499318 839694581 /nfs/dbraw/zinc/69/45/81/839694581.db2.gz WMCIQKJZFVSQBG-SDHOMARFSA-N 1 3 386.543 3.932 20 0 GHADHO c1cn(Cc2ccccc2CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000580499318 839694585 /nfs/dbraw/zinc/69/45/85/839694585.db2.gz WMCIQKJZFVSQBG-SDHOMARFSA-N 1 3 386.543 3.932 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635843 839889169 /nfs/dbraw/zinc/88/91/69/839889169.db2.gz DBOFQYFYBWMBJM-XUZZJYLKSA-N 1 3 390.527 3.691 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635843 839889181 /nfs/dbraw/zinc/88/91/81/839889181.db2.gz DBOFQYFYBWMBJM-XUZZJYLKSA-N 1 3 390.527 3.691 20 0 GHADHO CSc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000580625583 839916813 /nfs/dbraw/zinc/91/68/13/839916813.db2.gz PQOMISDTGSCWLN-IBGZPJMESA-N 1 3 392.613 3.527 20 0 GHADHO CSc1ccc([C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000580625583 839916817 /nfs/dbraw/zinc/91/68/17/839916817.db2.gz PQOMISDTGSCWLN-IBGZPJMESA-N 1 3 392.613 3.527 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)N(C)C)cc1 ZINC000416831297 840209673 /nfs/dbraw/zinc/20/96/73/840209673.db2.gz AVIBCCMCCAHDJI-YADHBBJMSA-N 1 3 382.552 3.631 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000417351507 840748487 /nfs/dbraw/zinc/74/84/87/840748487.db2.gz CXDRQVMANYBWMX-GOTSBHOMSA-N 1 3 394.563 3.911 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000067383130 840995691 /nfs/dbraw/zinc/99/56/91/840995691.db2.gz CRSANNKQAZPTER-QHCPKHFHSA-N 1 3 394.563 3.554 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)c1ccco1 ZINC000418168026 841606245 /nfs/dbraw/zinc/60/62/45/841606245.db2.gz NLRPFACTDHGLTB-NDXORKPFSA-N 1 3 394.519 3.861 20 0 GHADHO C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000192637895 841789729 /nfs/dbraw/zinc/78/97/29/841789729.db2.gz ADWDFJNGNSCBBL-SPEDKVCISA-N 1 3 379.589 3.876 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@H]2[C@H](OCc3csc(C)n3)CC[C@@H]21 ZINC001167828395 842117073 /nfs/dbraw/zinc/11/70/73/842117073.db2.gz YDOTVBXVWCOIOT-VRXWPRPYSA-N 1 3 395.613 3.710 20 0 GHADHO CCN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@H]1CCN(C)C1 ZINC000663560738 842183121 /nfs/dbraw/zinc/18/31/21/842183121.db2.gz AQXBBXOPPMQNIF-QFIPXVFZSA-N 1 3 394.563 3.651 20 0 GHADHO C(CN1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878175 842268877 /nfs/dbraw/zinc/26/88/77/842268877.db2.gz LZJDMQVJZSGVKN-SSGKUCQKSA-N 1 3 378.601 3.939 20 0 GHADHO C(CN1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878175 842268885 /nfs/dbraw/zinc/26/88/85/842268885.db2.gz LZJDMQVJZSGVKN-SSGKUCQKSA-N 1 3 378.601 3.939 20 0 GHADHO CN1CCCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000623655190 861298426 /nfs/dbraw/zinc/29/84/26/861298426.db2.gz QPSZYTWEKXIYFY-IBGZPJMESA-N 1 3 375.520 3.756 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3oc4ccccc4c3Br)C2)C1 ZINC000662286897 843074820 /nfs/dbraw/zinc/07/48/20/843074820.db2.gz SZFLIKRALKGZKO-CPUCHLNUSA-N 1 3 393.325 3.914 20 0 GHADHO COc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c(Br)c1OC ZINC000662298437 843091435 /nfs/dbraw/zinc/09/14/35/843091435.db2.gz WDPOKZFALRJIEY-HNNXBMFYSA-N 1 3 397.357 3.678 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc4c(s3)CCNC4)cc2)C1 ZINC000662388847 843185231 /nfs/dbraw/zinc/18/52/31/843185231.db2.gz UUEHJWBCGRAMNH-INIZCTEOSA-N 1 3 383.561 3.556 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc4c(s3)CCNC4)cc2)C1 ZINC000662388847 843185233 /nfs/dbraw/zinc/18/52/33/843185233.db2.gz UUEHJWBCGRAMNH-INIZCTEOSA-N 1 3 383.561 3.556 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000662426037 843224233 /nfs/dbraw/zinc/22/42/33/843224233.db2.gz RMMJKNRKPQFTGU-QHCPKHFHSA-N 1 3 377.532 3.913 20 0 GHADHO CCN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418681273 843529933 /nfs/dbraw/zinc/52/99/33/843529933.db2.gz VKDMJOCJAPZRMR-PKTZIBPZSA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418684952 843532014 /nfs/dbraw/zinc/53/20/14/843532014.db2.gz YSOPKXFVLMBLKO-OFNKIYASSA-N 1 3 394.563 3.773 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600291707 861505208 /nfs/dbraw/zinc/50/52/08/861505208.db2.gz OQCIMHMVLUCLLC-FQEVSTJZSA-N 1 3 385.596 3.710 20 0 GHADHO C[C@@H]1C[C@@H](NCCNc2nccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513212858 845055906 /nfs/dbraw/zinc/05/59/06/845055906.db2.gz RCXZNWPJQVJVAV-WBVHZDCISA-N 1 3 393.457 3.550 20 0 GHADHO C[C@@H]1C[C@@H](NCCNc2nccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000513212858 845055918 /nfs/dbraw/zinc/05/59/18/845055918.db2.gz RCXZNWPJQVJVAV-WBVHZDCISA-N 1 3 393.457 3.550 20 0 GHADHO CC(C)C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000509931407 845599581 /nfs/dbraw/zinc/59/95/81/845599581.db2.gz RPRBBINUNYVVOD-ICSRJNTNSA-N 1 3 399.501 3.534 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000513543374 845634209 /nfs/dbraw/zinc/63/42/09/845634209.db2.gz SCIYQBUBRLHXQJ-GHTZIAJQSA-N 1 3 398.551 3.673 20 0 GHADHO CC(C)N(C)c1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)cc1F ZINC001167507806 845753893 /nfs/dbraw/zinc/75/38/93/845753893.db2.gz BAXRFVQWYXDYHI-IBGZPJMESA-N 1 3 392.563 3.805 20 0 GHADHO CC(C)N(C)c1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)cc1F ZINC001167507806 845753900 /nfs/dbraw/zinc/75/39/00/845753900.db2.gz BAXRFVQWYXDYHI-IBGZPJMESA-N 1 3 392.563 3.805 20 0 GHADHO COc1cc2ccccc2cc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414531803 846340843 /nfs/dbraw/zinc/34/08/43/846340843.db2.gz ZZSATDQWSIIUHU-UHFFFAOYSA-N 1 3 390.527 3.965 20 0 GHADHO COc1cc2ccccc2cc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414531803 846340851 /nfs/dbraw/zinc/34/08/51/846340851.db2.gz ZZSATDQWSIIUHU-UHFFFAOYSA-N 1 3 390.527 3.965 20 0 GHADHO Cc1ccc(F)cc1NC(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501052685 846603582 /nfs/dbraw/zinc/60/35/82/846603582.db2.gz LKQQSHKXZRPHGR-QGZVFWFLSA-N 1 3 384.499 3.705 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H](C)O1 ZINC000657368092 846623761 /nfs/dbraw/zinc/62/37/61/846623761.db2.gz UQUBBKYVGZUTEZ-ROUUACIJSA-N 1 3 387.499 3.992 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(C(=O)c3coc4cc(C)c(C)cc34)CC2)CC1 ZINC000422010250 846748844 /nfs/dbraw/zinc/74/88/44/846748844.db2.gz BVLNQIHNYFMNEO-UHFFFAOYSA-N 1 3 383.536 3.682 20 0 GHADHO CCN1CCC([N@H+]2CCCN(C(=O)c3coc4cc(C)c(C)cc34)CC2)CC1 ZINC000422010250 846748849 /nfs/dbraw/zinc/74/88/49/846748849.db2.gz BVLNQIHNYFMNEO-UHFFFAOYSA-N 1 3 383.536 3.682 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)c1ccccc1Cl ZINC000503133133 846836185 /nfs/dbraw/zinc/83/61/85/846836185.db2.gz BFYJNNFKPXTYQV-HXUWFJFHSA-N 1 3 392.975 3.603 20 0 GHADHO CC[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccccc1OC(F)F ZINC000158506960 847043797 /nfs/dbraw/zinc/04/37/97/847043797.db2.gz UKQUZUGFXVRPAQ-SFHVURJKSA-N 1 3 390.478 3.676 20 0 GHADHO C[N@H+](CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000501593114 847045970 /nfs/dbraw/zinc/04/59/70/847045970.db2.gz KWFUTBUKFSSSAF-IBGZPJMESA-N 1 3 392.613 3.839 20 0 GHADHO C[N@@H+](CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000501593114 847045978 /nfs/dbraw/zinc/04/59/78/847045978.db2.gz KWFUTBUKFSSSAF-IBGZPJMESA-N 1 3 392.613 3.839 20 0 GHADHO C[N@H+](CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000501593115 847046398 /nfs/dbraw/zinc/04/63/98/847046398.db2.gz KWFUTBUKFSSSAF-LJQANCHMSA-N 1 3 392.613 3.839 20 0 GHADHO C[N@@H+](CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000501593115 847046401 /nfs/dbraw/zinc/04/64/01/847046401.db2.gz KWFUTBUKFSSSAF-LJQANCHMSA-N 1 3 392.613 3.839 20 0 GHADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000420378700 847147780 /nfs/dbraw/zinc/14/77/80/847147780.db2.gz BKXTXUJPXUOMTA-TXTKFYIRSA-N 1 3 397.588 3.808 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000513774218 847148219 /nfs/dbraw/zinc/14/82/19/847148219.db2.gz WOMBOVAXPBMVRP-XXBNENTESA-N 1 3 379.548 3.921 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501857142 847282324 /nfs/dbraw/zinc/28/23/24/847282324.db2.gz UHPPLEOLJRFRRP-VQTJNVASSA-N 1 3 378.605 3.547 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857142 847282331 /nfs/dbraw/zinc/28/23/31/847282331.db2.gz UHPPLEOLJRFRRP-VQTJNVASSA-N 1 3 378.605 3.547 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CCCC34CCOCC4)CC2)cc1 ZINC000502259529 847667927 /nfs/dbraw/zinc/66/79/27/847667927.db2.gz WGPAGPDGYKGJDC-QHCPKHFHSA-N 1 3 385.596 3.523 20 0 GHADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCN[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790541 847745829 /nfs/dbraw/zinc/74/58/29/847745829.db2.gz ZJQHWQFWVVDDSC-LEWJYISDSA-N 1 3 399.579 3.745 20 0 GHADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCN[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790541 847745833 /nfs/dbraw/zinc/74/58/33/847745833.db2.gz ZJQHWQFWVVDDSC-LEWJYISDSA-N 1 3 399.579 3.745 20 0 GHADHO Brc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422711964 847779857 /nfs/dbraw/zinc/77/98/57/847779857.db2.gz NOIIMWLAROHQFZ-JCHJZTRSSA-N 1 3 378.358 3.538 20 0 GHADHO Cc1cc([C@@H](C)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C ZINC000502387684 847833875 /nfs/dbraw/zinc/83/38/75/847833875.db2.gz BYEWAYIULMUHKU-WSTZPKSXSA-N 1 3 384.568 3.588 20 0 GHADHO Cc1cc([C@@H](C)NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C ZINC000502387684 847833881 /nfs/dbraw/zinc/83/38/81/847833881.db2.gz BYEWAYIULMUHKU-WSTZPKSXSA-N 1 3 384.568 3.588 20 0 GHADHO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2)cc1 ZINC000422881481 847867881 /nfs/dbraw/zinc/86/78/81/847867881.db2.gz NVEAKWZCEUXNIZ-VXKWHMMOSA-N 1 3 381.520 3.762 20 0 GHADHO [NH3+][C@H]1CCCCC[C@@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422887901 847871555 /nfs/dbraw/zinc/87/15/55/847871555.db2.gz BPRREEANNPRYEM-OALUTQOASA-N 1 3 380.374 3.663 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422910119 847882698 /nfs/dbraw/zinc/88/26/98/847882698.db2.gz PUNVDCNGGPISRJ-KXBFYZLASA-N 1 3 390.934 3.956 20 0 GHADHO c1coc([C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCCC2)c1 ZINC000422966135 847905802 /nfs/dbraw/zinc/90/58/02/847905802.db2.gz QSBLWFKULRYMBY-SXWKCWPCSA-N 1 3 381.520 3.652 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423082063 847970309 /nfs/dbraw/zinc/97/03/09/847970309.db2.gz DUDZLLFWHAKVCC-QKYXUNIQSA-N 1 3 388.353 3.576 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cc(Cl)cc4cccnc43)cc2)C1 ZINC000657595814 848291787 /nfs/dbraw/zinc/29/17/87/848291787.db2.gz KIJAYRHEDUCSRA-NRFANRHFSA-N 1 3 381.907 3.745 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cc(Cl)cc4cccnc43)cc2)C1 ZINC000657595814 848291798 /nfs/dbraw/zinc/29/17/98/848291798.db2.gz KIJAYRHEDUCSRA-NRFANRHFSA-N 1 3 381.907 3.745 20 0 GHADHO Fc1cccc(Br)c1CNCC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613239 848327060 /nfs/dbraw/zinc/32/70/60/848327060.db2.gz JLIYJEMLSBOZJR-UHFFFAOYSA-N 1 3 392.316 3.985 20 0 GHADHO CC1CCN(CCC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000161753912 848712684 /nfs/dbraw/zinc/71/26/84/848712684.db2.gz CNHZSGXHBDOJPG-UHFFFAOYSA-N 1 3 377.960 3.656 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3C3CCCCC3)CC2)CC1 ZINC000583279949 849522463 /nfs/dbraw/zinc/52/24/63/849522463.db2.gz WYTNNGOUWWQNCI-JOCHJYFZSA-N 1 3 375.601 3.754 20 0 GHADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)N(C)C ZINC000150888131 849569257 /nfs/dbraw/zinc/56/92/57/849569257.db2.gz PMUQEWXOWJNCTC-LJQANCHMSA-N 1 3 399.501 3.714 20 0 GHADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)N(C)C ZINC000150888131 849569261 /nfs/dbraw/zinc/56/92/61/849569261.db2.gz PMUQEWXOWJNCTC-LJQANCHMSA-N 1 3 399.501 3.714 20 0 GHADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503912913 849773321 /nfs/dbraw/zinc/77/33/21/849773321.db2.gz TXPFQJQXALOYIV-ZETOZRRWSA-N 1 3 392.712 3.763 20 0 GHADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128305 849925244 /nfs/dbraw/zinc/92/52/44/849925244.db2.gz LMDQNIXJYCOEAZ-SFTDATJTSA-N 1 3 390.547 3.525 20 0 GHADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128305 849925249 /nfs/dbraw/zinc/92/52/49/849925249.db2.gz LMDQNIXJYCOEAZ-SFTDATJTSA-N 1 3 390.547 3.525 20 0 GHADHO CC(C)CN(C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCN(C)CC1 ZINC000668691879 850141217 /nfs/dbraw/zinc/14/12/17/850141217.db2.gz UYVLCQHZKAZCCN-JOCHJYFZSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)CN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCN(C)CC1 ZINC000668691879 850141221 /nfs/dbraw/zinc/14/12/21/850141221.db2.gz UYVLCQHZKAZCCN-JOCHJYFZSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167958501 850273554 /nfs/dbraw/zinc/27/35/54/850273554.db2.gz GAHOWQKYINMNQU-XIBWBMNSSA-N 1 3 377.573 3.817 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000514838344 850348964 /nfs/dbraw/zinc/34/89/64/850348964.db2.gz OOMKZXVEOQEBCJ-CEQIKUNHSA-N 1 3 398.513 3.888 20 0 GHADHO COc1ccc([C@@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)c(Cl)c1 ZINC000424317938 850359524 /nfs/dbraw/zinc/35/95/24/850359524.db2.gz RIPRYYOTSFZLCI-QGZVFWFLSA-N 1 3 379.976 3.950 20 0 GHADHO FC(F)(F)C(F)(F)COCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000514831629 850362255 /nfs/dbraw/zinc/36/22/55/850362255.db2.gz PBLUQKMPEMEOLD-DLBZAZTESA-N 1 3 392.412 3.655 20 0 GHADHO FC(F)(F)C(F)(F)COCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000514831629 850362262 /nfs/dbraw/zinc/36/22/62/850362262.db2.gz PBLUQKMPEMEOLD-DLBZAZTESA-N 1 3 392.412 3.655 20 0 GHADHO CC(C)[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000180404115 862122799 /nfs/dbraw/zinc/12/27/99/862122799.db2.gz QIGNPXYJOIARJD-AWEZNQCLSA-N 1 3 382.346 3.629 20 0 GHADHO COc1cc(CN2CCC([C@H](C)[NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC000435374827 850421876 /nfs/dbraw/zinc/42/18/76/850421876.db2.gz YTNPUGILWWGBAC-KRWDZBQOSA-N 1 3 384.520 3.842 20 0 GHADHO [NH3+]C[C@@H]1CN(Cc2cccc(OCCCc3ccccc3)c2)CC12CCOCC2 ZINC000515176409 850758532 /nfs/dbraw/zinc/75/85/32/850758532.db2.gz NFAULNKPVNRJIU-HSZRJFAPSA-N 1 3 394.559 3.886 20 0 GHADHO O=c1[nH]c(CCN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)nc2ccccc12 ZINC000435690853 850769691 /nfs/dbraw/zinc/76/96/91/850769691.db2.gz DUBFOCJKPPOYLU-IBGZPJMESA-N 1 3 394.544 3.584 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000440198664 850892503 /nfs/dbraw/zinc/89/25/03/850892503.db2.gz AGWQFOMHVWXNHS-WOJBJXKFSA-N 1 3 388.600 3.646 20 0 GHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487872939 850959961 /nfs/dbraw/zinc/95/99/61/850959961.db2.gz KTKASJMLLMRAGG-PKTZIBPZSA-N 1 3 383.580 3.766 20 0 GHADHO C[C@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CC2)C1 ZINC000436310304 851469221 /nfs/dbraw/zinc/46/92/21/851469221.db2.gz QGIAFZCVOUMFAC-MXNKGDRCSA-N 1 3 375.601 3.800 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000180633531 862258462 /nfs/dbraw/zinc/25/84/62/862258462.db2.gz XZXDSYRSCXYIJI-PMACEKPBSA-N 1 3 396.579 3.798 20 0 GHADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000509992454 851561003 /nfs/dbraw/zinc/56/10/03/851561003.db2.gz MRMXMHOZQQLKSN-NRFANRHFSA-N 1 3 381.564 3.511 20 0 GHADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CS1 ZINC000488543126 851599007 /nfs/dbraw/zinc/59/90/07/851599007.db2.gz LGEZVLNXUITRBC-WOJBJXKFSA-N 1 3 389.609 3.522 20 0 GHADHO CCCn1ccc2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc21 ZINC000121979782 852098354 /nfs/dbraw/zinc/09/83/54/852098354.db2.gz JVLHEIWEMAHNCO-UHFFFAOYSA-N 1 3 397.567 3.731 20 0 GHADHO CN(C)[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000516109749 852177701 /nfs/dbraw/zinc/17/77/01/852177701.db2.gz SAMYFWVAZVAVFU-NRFANRHFSA-N 1 3 375.557 3.787 20 0 GHADHO CC1CCN(C[C@@H](O)C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038457 852496402 /nfs/dbraw/zinc/49/64/02/852496402.db2.gz ZBZSSNZOKSONCO-VXKWHMMOSA-N 1 3 387.955 3.701 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000426089595 852658138 /nfs/dbraw/zinc/65/81/38/852658138.db2.gz NJDSVPRMQPHHDR-HSZRJFAPSA-N 1 3 380.536 3.924 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000426089595 852658143 /nfs/dbraw/zinc/65/81/43/852658143.db2.gz NJDSVPRMQPHHDR-HSZRJFAPSA-N 1 3 380.536 3.924 20 0 GHADHO CC[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000490131682 852784555 /nfs/dbraw/zinc/78/45/55/852784555.db2.gz XOLNDZRTXWRXOU-QFIPXVFZSA-N 1 3 384.543 3.859 20 0 GHADHO COc1ccc(OCCN(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000506008693 852935187 /nfs/dbraw/zinc/93/51/87/852935187.db2.gz DXDTWFWWXXWDAF-UHFFFAOYSA-N 1 3 397.563 3.736 20 0 GHADHO O=C(C1CCC1)N(CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000507497430 852958576 /nfs/dbraw/zinc/95/85/76/852958576.db2.gz RQPOLCIEHFZAPX-OEMFJLHTSA-N 1 3 395.591 3.668 20 0 GHADHO C[C@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151039905 852987122 /nfs/dbraw/zinc/98/71/22/852987122.db2.gz WIDOUFMUHRTVHM-IBGZPJMESA-N 1 3 395.547 3.995 20 0 GHADHO Brc1ccc(CN2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000506050381 853143263 /nfs/dbraw/zinc/14/32/63/853143263.db2.gz AYVAYXDISYLGKL-UHFFFAOYSA-N 1 3 387.387 3.835 20 0 GHADHO CCCn1c2ccccc2nc1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507719318 853201052 /nfs/dbraw/zinc/20/10/52/853201052.db2.gz ASAVCXMJQQFMMW-UHFFFAOYSA-N 1 3 384.568 3.771 20 0 GHADHO O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167987485 853252405 /nfs/dbraw/zinc/25/24/05/853252405.db2.gz CABGRMBBOHKDAP-LECXIGBMSA-N 1 3 385.577 3.582 20 0 GHADHO O=C1N(c2ccsc2)CC[C@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167987485 853252411 /nfs/dbraw/zinc/25/24/11/853252411.db2.gz CABGRMBBOHKDAP-LECXIGBMSA-N 1 3 385.577 3.582 20 0 GHADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518374145 853271031 /nfs/dbraw/zinc/27/10/31/853271031.db2.gz WSFWYMFYAXOOEA-FUDKSRODSA-N 1 3 394.563 3.654 20 0 GHADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518374145 853271034 /nfs/dbraw/zinc/27/10/34/853271034.db2.gz WSFWYMFYAXOOEA-FUDKSRODSA-N 1 3 394.563 3.654 20 0 GHADHO CCc1cccc(Cl)c1CN1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000518440463 853362613 /nfs/dbraw/zinc/36/26/13/853362613.db2.gz USNWZQSNQYGHAK-UHFFFAOYSA-N 1 3 394.003 3.963 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000517103398 853382141 /nfs/dbraw/zinc/38/21/41/853382141.db2.gz BTBFOLAYYFGPJG-MOPGFXCFSA-N 1 3 390.597 3.545 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000519757800 853468432 /nfs/dbraw/zinc/46/84/32/853468432.db2.gz BWIVAKYBVNMUPH-UEXGIBASSA-N 1 3 382.976 3.736 20 0 GHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000519757800 853468442 /nfs/dbraw/zinc/46/84/42/853468442.db2.gz BWIVAKYBVNMUPH-UEXGIBASSA-N 1 3 382.976 3.736 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168377748 853680564 /nfs/dbraw/zinc/68/05/64/853680564.db2.gz HDWUQSOETKCWPW-SIKLNZKXSA-N 1 3 395.563 3.532 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168377748 853680571 /nfs/dbraw/zinc/68/05/71/853680571.db2.gz HDWUQSOETKCWPW-SIKLNZKXSA-N 1 3 395.563 3.532 20 0 GHADHO CN(C)[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000506166055 853688932 /nfs/dbraw/zinc/68/89/32/853688932.db2.gz HNNWPFUWKSAAGF-QFIPXVFZSA-N 1 3 386.584 3.587 20 0 GHADHO O=C1C[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988694 853692300 /nfs/dbraw/zinc/69/23/00/853692300.db2.gz MWLNHQCYIGHQFS-OTTNMNEJSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988694 853692310 /nfs/dbraw/zinc/69/23/10/853692310.db2.gz MWLNHQCYIGHQFS-OTTNMNEJSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988694 853692320 /nfs/dbraw/zinc/69/23/20/853692320.db2.gz MWLNHQCYIGHQFS-OTTNMNEJSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988694 853692327 /nfs/dbraw/zinc/69/23/27/853692327.db2.gz MWLNHQCYIGHQFS-OTTNMNEJSA-N 1 3 397.538 3.660 20 0 GHADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCN(C2CCCC2)CC1 ZINC000520297826 854043548 /nfs/dbraw/zinc/04/35/48/854043548.db2.gz PEWILUBQKQSCQL-UHFFFAOYSA-N 1 3 398.595 3.832 20 0 GHADHO COc1ccc(C(=O)C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001167995009 854430053 /nfs/dbraw/zinc/43/00/53/854430053.db2.gz TUIJBLJLOHQEOF-CBQGHPETSA-N 1 3 382.548 3.995 20 0 GHADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(N2CCCC2)n1 ZINC000572846899 855041327 /nfs/dbraw/zinc/04/13/27/855041327.db2.gz LKKNTXGDYZSHJR-NFBKMPQASA-N 1 3 378.564 3.990 20 0 GHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(OCCO)CCC(F)(F)CC3)CC2)C1 ZINC000624102041 862652316 /nfs/dbraw/zinc/65/23/16/862652316.db2.gz IXAVQCZPQQRIPH-HKUYNNGSSA-N 1 3 388.543 3.576 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]12 ZINC001168001881 855530535 /nfs/dbraw/zinc/53/05/35/855530535.db2.gz JXTNJUSRUYHSNV-WRTKBMEVSA-N 1 3 389.584 3.627 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]12 ZINC001168001881 855530537 /nfs/dbraw/zinc/53/05/37/855530537.db2.gz JXTNJUSRUYHSNV-WRTKBMEVSA-N 1 3 389.584 3.627 20 0 GHADHO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000590778129 855579259 /nfs/dbraw/zinc/57/92/59/855579259.db2.gz GALUTXXWANSDEA-ANAFOTAVSA-N 1 3 382.573 3.957 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000573001578 855683984 /nfs/dbraw/zinc/68/39/84/855683984.db2.gz UPFUHOPJVOQIMD-BSRJHKFKSA-N 1 3 379.548 3.727 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)[C@H](C(C)C)[NH+]3CCCCC3)c(C)c2)CC1 ZINC000591107190 855778266 /nfs/dbraw/zinc/77/82/66/855778266.db2.gz WANHNTFOYFNCBX-QFIPXVFZSA-N 1 3 386.584 3.586 20 0 GHADHO CC(=O)N1CCC[C@@H](C[NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000639125022 856381968 /nfs/dbraw/zinc/38/19/68/856381968.db2.gz XYLGRKACVXQIJV-UPVQGACJSA-N 1 3 385.596 3.773 20 0 GHADHO C[C@H](C(=O)NC1CCCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485484942 856662664 /nfs/dbraw/zinc/66/26/64/856662664.db2.gz DRHHWLMOCNTHAD-HXUWFJFHSA-N 1 3 383.580 3.812 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1ccc3c(c1)OCO3)c1ccccc1O2 ZINC000574108960 857248031 /nfs/dbraw/zinc/24/80/31/857248031.db2.gz CGIJMTDFZQDQGW-IBGZPJMESA-N 1 3 380.488 3.536 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000187009478 862908006 /nfs/dbraw/zinc/90/80/06/862908006.db2.gz RQVOOWSFPSEKTK-NQIIRXRSSA-N 1 3 386.536 3.636 20 0 GHADHO C[C@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000675921655 857665973 /nfs/dbraw/zinc/66/59/73/857665973.db2.gz MQERUKZGCRMRMR-CVDCTZTESA-N 1 3 392.547 3.995 20 0 GHADHO CC(C)(C)OC(=O)N1CCCC2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001168371001 857764001 /nfs/dbraw/zinc/76/40/01/857764001.db2.gz BHLCPJCWTBYZQZ-UHFFFAOYSA-N 1 3 391.600 3.974 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744441 857764734 /nfs/dbraw/zinc/76/47/34/857764734.db2.gz HXCSDAATBNRVLH-FPOVZHCZSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744441 857764743 /nfs/dbraw/zinc/76/47/43/857764743.db2.gz HXCSDAATBNRVLH-FPOVZHCZSA-N 1 3 375.520 3.830 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315149 881345558 /nfs/dbraw/zinc/34/55/58/881345558.db2.gz LRINGZILJBDDMQ-HSZRJFAPSA-N 1 3 388.502 3.712 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315149 881345571 /nfs/dbraw/zinc/34/55/71/881345571.db2.gz LRINGZILJBDDMQ-HSZRJFAPSA-N 1 3 388.502 3.712 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 ZINC000065931597 857878689 /nfs/dbraw/zinc/87/86/89/857878689.db2.gz WPCLRVBAHDRSCC-UHFFFAOYSA-N 1 3 385.527 3.872 20 0 GHADHO COCCC[NH+]1CCC(N[C@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079294 858216683 /nfs/dbraw/zinc/21/66/83/858216683.db2.gz JHTOIWFBUHIBCL-IBGZPJMESA-N 1 3 381.358 3.917 20 0 GHADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000605426080 863024356 /nfs/dbraw/zinc/02/43/56/863024356.db2.gz PUZDNROWXZOPGE-UHFFFAOYSA-N 1 3 392.478 3.590 20 0 GHADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000665363259 859123982 /nfs/dbraw/zinc/12/39/82/859123982.db2.gz WCAHATPFUDSMTN-NRFANRHFSA-N 1 3 398.595 3.557 20 0 GHADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000665363259 859123991 /nfs/dbraw/zinc/12/39/91/859123991.db2.gz WCAHATPFUDSMTN-NRFANRHFSA-N 1 3 398.595 3.557 20 0 GHADHO C[NH+](C)CCCOc1ccc(CNCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000727468148 859207116 /nfs/dbraw/zinc/20/71/16/859207116.db2.gz QIDXYNWZVHNEJU-UHFFFAOYSA-N 1 3 395.547 3.543 20 0 GHADHO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC000729545069 859732303 /nfs/dbraw/zinc/73/23/03/859732303.db2.gz RMUUQVULRHULFQ-MOPGFXCFSA-N 1 3 386.584 3.666 20 0 GHADHO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC000729545069 859732306 /nfs/dbraw/zinc/73/23/06/859732306.db2.gz RMUUQVULRHULFQ-MOPGFXCFSA-N 1 3 386.584 3.666 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000765126266 859804118 /nfs/dbraw/zinc/80/41/18/859804118.db2.gz JJDNDEWDPVLHEV-YTQUADARSA-N 1 3 391.556 3.581 20 0 GHADHO CC1CCN([C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)c2cccs2)CC1 ZINC000727067151 859914010 /nfs/dbraw/zinc/91/40/10/859914010.db2.gz WMSQDWGVWHMBDM-QGZVFWFLSA-N 1 3 396.670 3.573 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cc(-c3ccccc3)cs2)cc1 ZINC000123876332 860127089 /nfs/dbraw/zinc/12/70/89/860127089.db2.gz PYWCROHBWCWLOQ-UHFFFAOYSA-N 1 3 393.556 3.996 20 0 GHADHO O=C(NC[C@H]1CCCCN1C1CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000765663808 860384431 /nfs/dbraw/zinc/38/44/31/860384431.db2.gz QYKPRUTUXVSQLK-JOCHJYFZSA-N 1 3 384.568 3.853 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000189068317 881562634 /nfs/dbraw/zinc/56/26/34/881562634.db2.gz UZAAXIAWHAGPPH-UHFFFAOYSA-N 1 3 376.438 3.747 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000189068317 881562656 /nfs/dbraw/zinc/56/26/56/881562656.db2.gz UZAAXIAWHAGPPH-UHFFFAOYSA-N 1 3 376.438 3.747 20 0 GHADHO CO[C@H](C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)c1ccccc1 ZINC000856604357 881582135 /nfs/dbraw/zinc/58/21/35/881582135.db2.gz NEMPDZYMDXOOML-XZOQPEGZSA-N 1 3 383.536 3.763 20 0 GHADHO CO[C@H](C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)c1ccccc1 ZINC000856604357 881582142 /nfs/dbraw/zinc/58/21/42/881582142.db2.gz NEMPDZYMDXOOML-XZOQPEGZSA-N 1 3 383.536 3.763 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199463 881593471 /nfs/dbraw/zinc/59/34/71/881593471.db2.gz ZJOXSHWTRVGSKM-UYWIDEMCSA-N 1 3 398.551 3.671 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199463 881593483 /nfs/dbraw/zinc/59/34/83/881593483.db2.gz ZJOXSHWTRVGSKM-UYWIDEMCSA-N 1 3 398.551 3.671 20 0 GHADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1c(Cl)cccc1Cl ZINC000625209005 861167414 /nfs/dbraw/zinc/16/74/14/861167414.db2.gz HDLLPUXWDWDMJJ-CQSZACIVSA-N 1 3 398.378 3.772 20 0 GHADHO Cc1nc2ccccc2nc1C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177488206 863846518 /nfs/dbraw/zinc/84/65/18/863846518.db2.gz LVERBTGSSUDCGU-QZTJIDSGSA-N 1 3 382.552 3.650 20 0 GHADHO Cc1nc2ccccc2nc1CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177488206 863846529 /nfs/dbraw/zinc/84/65/29/863846529.db2.gz LVERBTGSSUDCGU-QZTJIDSGSA-N 1 3 382.552 3.650 20 0 GHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](c2ccccc2)C1 ZINC000480208660 864269566 /nfs/dbraw/zinc/26/95/66/864269566.db2.gz XBVBFYZBLWYIIH-NZQKXSOJSA-N 1 3 391.559 3.645 20 0 GHADHO CC(C)[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000607383903 864328598 /nfs/dbraw/zinc/32/85/98/864328598.db2.gz CQXTYPKDGSHOSM-QHCPKHFHSA-N 1 3 379.548 3.561 20 0 GHADHO CC(C)[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000607383903 864328615 /nfs/dbraw/zinc/32/86/15/864328615.db2.gz CQXTYPKDGSHOSM-QHCPKHFHSA-N 1 3 379.548 3.561 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000554452057 864342075 /nfs/dbraw/zinc/34/20/75/864342075.db2.gz RCOZOJNYSIAYKB-YFNKSVMNSA-N 1 3 396.575 3.852 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000621642599 864347361 /nfs/dbraw/zinc/34/73/61/864347361.db2.gz RBUSZLXZGJLLEO-LPHOPBHVSA-N 1 3 399.501 3.984 20 0 GHADHO Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)cn2)cc1 ZINC000475289026 864721092 /nfs/dbraw/zinc/72/10/92/864721092.db2.gz ABWSAQYECLXKAD-NRFANRHFSA-N 1 3 378.495 3.682 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608475204 865348885 /nfs/dbraw/zinc/34/88/85/865348885.db2.gz ORWVGOGXAAKOML-LJQANCHMSA-N 1 3 391.515 3.841 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608475204 865348903 /nfs/dbraw/zinc/34/89/03/865348903.db2.gz ORWVGOGXAAKOML-LJQANCHMSA-N 1 3 391.515 3.841 20 0 GHADHO FC(F)(F)COc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173949538 865859167 /nfs/dbraw/zinc/85/91/67/865859167.db2.gz CZBUNJXQZOSYNZ-UHFFFAOYSA-N 1 3 386.458 3.705 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000121092845 881918377 /nfs/dbraw/zinc/91/83/77/881918377.db2.gz YSZSTAPDFIQQHD-CQSZACIVSA-N 1 3 381.948 3.918 20 0 GHADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1OCCO ZINC000481169227 865912248 /nfs/dbraw/zinc/91/22/48/865912248.db2.gz BUSMTAXWWJABPY-CNNODRBYSA-N 1 3 398.547 3.628 20 0 GHADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1OCCO ZINC000481169227 865912250 /nfs/dbraw/zinc/91/22/50/865912250.db2.gz BUSMTAXWWJABPY-CNNODRBYSA-N 1 3 398.547 3.628 20 0 GHADHO CN1Cc2ccccc2[C@H](NC2CCC([N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000623235865 866117193 /nfs/dbraw/zinc/11/71/93/866117193.db2.gz DWVGWGJROUNABS-BBHUYCHWSA-N 1 3 377.532 3.733 20 0 GHADHO CN1Cc2ccccc2[C@H](NC2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000623235865 866117199 /nfs/dbraw/zinc/11/71/99/866117199.db2.gz DWVGWGJROUNABS-BBHUYCHWSA-N 1 3 377.532 3.733 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)cc1CN1CCCCC1 ZINC000183108447 866217065 /nfs/dbraw/zinc/21/70/65/866217065.db2.gz IPMMWCVJYXNUID-GHTZIAJQSA-N 1 3 376.541 3.527 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@@H]3CC3CCC3)CC2)CC1 ZINC000620569190 866867950 /nfs/dbraw/zinc/86/79/50/866867950.db2.gz QWFVHNUXKQWQEX-JOCHJYFZSA-N 1 3 375.601 3.754 20 0 GHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455922489 867249324 /nfs/dbraw/zinc/24/93/24/867249324.db2.gz MBSRSVVQVGSEAL-JOCHJYFZSA-N 1 3 398.526 3.970 20 0 GHADHO CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000455925356 867294749 /nfs/dbraw/zinc/29/47/49/867294749.db2.gz NAWLQALTMUSDJC-GMAHTHKFSA-N 1 3 392.547 3.974 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000154274616 867330618 /nfs/dbraw/zinc/33/06/18/867330618.db2.gz CIRXHFZGAXPNKJ-HZPDHXFCSA-N 1 3 388.383 3.766 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000121331129 882076396 /nfs/dbraw/zinc/07/63/96/882076396.db2.gz IFNHZVVSCNLXBS-LSDHHAIUSA-N 1 3 389.918 3.866 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155111468 867756083 /nfs/dbraw/zinc/75/60/83/867756083.db2.gz QNVYKIKSIYZIBF-KNQAVFIVSA-N 1 3 385.552 3.919 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155111468 867756097 /nfs/dbraw/zinc/75/60/97/867756097.db2.gz QNVYKIKSIYZIBF-KNQAVFIVSA-N 1 3 385.552 3.919 20 0 GHADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000155237399 867821438 /nfs/dbraw/zinc/82/14/38/867821438.db2.gz DHKUPPYICBDHAM-QGZVFWFLSA-N 1 3 379.976 3.789 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000523784376 867958150 /nfs/dbraw/zinc/95/81/50/867958150.db2.gz SUXLHDAPPRLYRL-RTBURBONSA-N 1 3 392.613 3.504 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000523784376 867958161 /nfs/dbraw/zinc/95/81/61/867958161.db2.gz SUXLHDAPPRLYRL-RTBURBONSA-N 1 3 392.613 3.504 20 0 GHADHO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000920590471 882194366 /nfs/dbraw/zinc/19/43/66/882194366.db2.gz CCXNTUFHTWKHKG-HUUCEWRRSA-N 1 3 399.318 3.764 20 0 GHADHO C[N@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000920590471 882194372 /nfs/dbraw/zinc/19/43/72/882194372.db2.gz CCXNTUFHTWKHKG-HUUCEWRRSA-N 1 3 399.318 3.764 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(c4ccccc4)CC3(C)C)CC2)CC1 ZINC000621039566 868577151 /nfs/dbraw/zinc/57/71/51/868577151.db2.gz SKYBCOYGSVUVBG-DEOSSOPVSA-N 1 3 383.580 3.624 20 0 GHADHO COC[C@H]([NH2+]CCCCN1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000554069691 868669793 /nfs/dbraw/zinc/66/97/93/868669793.db2.gz UAFAQDXVEQNZSZ-DEOSSOPVSA-N 1 3 381.564 3.875 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC000539441083 869131064 /nfs/dbraw/zinc/13/10/64/869131064.db2.gz WROUABYYNGXRDS-OAQYLSRUSA-N 1 3 379.548 3.525 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)c2cccs2)CC1 ZINC000446127352 869412486 /nfs/dbraw/zinc/41/24/86/869412486.db2.gz RALCQRFVKKAPAQ-SFHVURJKSA-N 1 3 392.613 3.647 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462745230 870013302 /nfs/dbraw/zinc/01/33/02/870013302.db2.gz OTTGGIDGKWPKAO-JOCHJYFZSA-N 1 3 388.600 3.518 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462745230 870013314 /nfs/dbraw/zinc/01/33/14/870013314.db2.gz OTTGGIDGKWPKAO-JOCHJYFZSA-N 1 3 388.600 3.518 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CN1Cc1ccccc1 ZINC000446592406 870042096 /nfs/dbraw/zinc/04/20/96/870042096.db2.gz WSFSKROHKOAQPJ-NQIIRXRSSA-N 1 3 380.536 3.575 20 0 GHADHO Cc1cc(C)cc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247965469 870248292 /nfs/dbraw/zinc/24/82/92/870248292.db2.gz GTLKCZPCZPVMMS-DENIHFKCSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1cc(C)cc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247965469 870248302 /nfs/dbraw/zinc/24/83/02/870248302.db2.gz GTLKCZPCZPVMMS-DENIHFKCSA-N 1 3 379.548 3.852 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCOCC4CCOCC4)[C@@H]3C2)cc1 ZINC000248392836 870362938 /nfs/dbraw/zinc/36/29/38/870362938.db2.gz DILVEMTXBWBNKK-RBZQAINGSA-N 1 3 386.580 3.710 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccnc(N4CCCC4)c2)C3)cc1 ZINC000248417029 870395333 /nfs/dbraw/zinc/39/53/33/870395333.db2.gz JFKYGQAONFPQAC-NUNAXRQHSA-N 1 3 376.548 3.967 20 0 GHADHO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000174126534 882428556 /nfs/dbraw/zinc/42/85/56/882428556.db2.gz IXCQAFRHUNLCGV-CVDCTZTESA-N 1 3 379.548 3.873 20 0 GHADHO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000174126534 882428563 /nfs/dbraw/zinc/42/85/63/882428563.db2.gz IXCQAFRHUNLCGV-CVDCTZTESA-N 1 3 379.548 3.873 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000122147160 882437105 /nfs/dbraw/zinc/43/71/05/882437105.db2.gz FTCMCMITGOFRDR-UHFFFAOYSA-N 1 3 387.572 3.583 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000122147160 882437109 /nfs/dbraw/zinc/43/71/09/882437109.db2.gz FTCMCMITGOFRDR-UHFFFAOYSA-N 1 3 387.572 3.583 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000249173925 870778925 /nfs/dbraw/zinc/77/89/25/870778925.db2.gz DGSYFVKGPTUAGL-IFMALSPDSA-N 1 3 383.511 3.764 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000249173925 870778939 /nfs/dbraw/zinc/77/89/39/870778939.db2.gz DGSYFVKGPTUAGL-IFMALSPDSA-N 1 3 383.511 3.764 20 0 GHADHO COc1ccc(CN2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)CC2=O)cc1 ZINC001168909585 870996370 /nfs/dbraw/zinc/99/63/70/870996370.db2.gz NNSYZKRITBDGLP-OAQYLSRUSA-N 1 3 399.579 3.573 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000251514073 871145317 /nfs/dbraw/zinc/14/53/17/871145317.db2.gz JAISLOCNENVASQ-QDSKXPNFSA-N 1 3 391.559 3.850 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000251514073 871145321 /nfs/dbraw/zinc/14/53/21/871145321.db2.gz JAISLOCNENVASQ-QDSKXPNFSA-N 1 3 391.559 3.850 20 0 GHADHO CCN1CCC([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC001169238636 871334853 /nfs/dbraw/zinc/33/48/53/871334853.db2.gz KMDBELIDODMTMV-UHFFFAOYSA-N 1 3 394.401 3.735 20 0 GHADHO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540506304 871440124 /nfs/dbraw/zinc/44/01/24/871440124.db2.gz FUAWHVBOLJAFOR-NRFANRHFSA-N 1 3 382.552 3.547 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(OCC2CC2)cc1 ZINC000191580567 882523215 /nfs/dbraw/zinc/52/32/15/882523215.db2.gz SOCGGOLGPLFPMW-HSZRJFAPSA-N 1 3 380.532 3.722 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(OCC2CC2)cc1 ZINC000191580567 882523231 /nfs/dbraw/zinc/52/32/31/882523231.db2.gz SOCGGOLGPLFPMW-HSZRJFAPSA-N 1 3 380.532 3.722 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](N[C@@H]1COc3cc(F)ccc3C1)c1ccccc1O2 ZINC000572542574 871690086 /nfs/dbraw/zinc/69/00/86/871690086.db2.gz FZCAETOSPFJHGO-AZUAARDMSA-N 1 3 382.479 3.707 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+][C@@H]1COc3cc(F)ccc3C1)c1ccccc1O2 ZINC000572542574 871690093 /nfs/dbraw/zinc/69/00/93/871690093.db2.gz FZCAETOSPFJHGO-AZUAARDMSA-N 1 3 382.479 3.707 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462188678 871752905 /nfs/dbraw/zinc/75/29/05/871752905.db2.gz LLMWVNFPNSSEQF-WMZHIEFXSA-N 1 3 379.548 3.779 20 0 GHADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001169689679 871758554 /nfs/dbraw/zinc/75/85/54/871758554.db2.gz HVUJGLIQDDWBCJ-RBBKRZOGSA-N 1 3 376.504 3.840 20 0 GHADHO CCOC(=O)N1CCC[C@H]([NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)CC1 ZINC001169695434 871765386 /nfs/dbraw/zinc/76/53/86/871765386.db2.gz YLBIBKFLPYVPSD-FQEVSTJZSA-N 1 3 389.540 3.579 20 0 GHADHO CCN(C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCN(C)C1 ZINC000667284286 872400499 /nfs/dbraw/zinc/40/04/99/872400499.db2.gz RCWUOPJVMOTAAN-LJQANCHMSA-N 1 3 390.597 3.823 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCCn2cnc3ccccc32)CC1 ZINC000236813445 882622120 /nfs/dbraw/zinc/62/21/20/882622120.db2.gz MZHPVKGDYRLFRR-UHFFFAOYSA-N 1 3 391.563 3.748 20 0 GHADHO Cc1cc(Br)cc(CNCC2=CC[N@H+](C)CC2)c1OC(F)F ZINC000478246029 872728316 /nfs/dbraw/zinc/72/83/16/872728316.db2.gz AUZQVDQWKLWQQC-UHFFFAOYSA-N 1 3 375.257 3.710 20 0 GHADHO Cc1cc(Br)cc(CNCC2=CC[N@@H+](C)CC2)c1OC(F)F ZINC000478246029 872728321 /nfs/dbraw/zinc/72/83/21/872728321.db2.gz AUZQVDQWKLWQQC-UHFFFAOYSA-N 1 3 375.257 3.710 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858013571 882721439 /nfs/dbraw/zinc/72/14/39/882721439.db2.gz SZXKXISNAXNIGS-QFIPXVFZSA-N 1 3 394.563 3.575 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858013571 882721458 /nfs/dbraw/zinc/72/14/58/882721458.db2.gz SZXKXISNAXNIGS-QFIPXVFZSA-N 1 3 394.563 3.575 20 0 GHADHO COc1cccc([C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)OC)c1 ZINC000527737368 873540916 /nfs/dbraw/zinc/54/09/16/873540916.db2.gz NFALNNOXSVQJMI-QHCPKHFHSA-N 1 3 386.511 3.819 20 0 GHADHO C[C@@H](CN1CCCC1=O)N[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000550887959 882775183 /nfs/dbraw/zinc/77/51/83/882775183.db2.gz VSAWKBGOGOBFBG-SIKLNZKXSA-N 1 3 389.559 3.979 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)N1CCCCC1 ZINC000104287599 874271027 /nfs/dbraw/zinc/27/10/27/874271027.db2.gz OQVBGPHTDHQGGO-JOCHJYFZSA-N 1 3 386.584 3.666 20 0 GHADHO COc1cccc([C@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)N(C)C)c1 ZINC000449066195 874404335 /nfs/dbraw/zinc/40/43/35/874404335.db2.gz YYQNAVYZWHKLJS-NLFFAJNJSA-N 1 3 395.591 3.983 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2cccc(N3CCCC3=O)c2)CC1 ZINC000449079799 874462537 /nfs/dbraw/zinc/46/25/37/874462537.db2.gz QCAHCPCGPSEXQL-FQEVSTJZSA-N 1 3 391.559 3.999 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(CCc3ccccc3)s2)C[C@@H](C)O1 ZINC000449103608 874477876 /nfs/dbraw/zinc/47/78/76/874477876.db2.gz RATXEBAUOUKAJW-RTBURBONSA-N 1 3 387.593 3.907 20 0 GHADHO C[C@@H](CNCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449093582 874495356 /nfs/dbraw/zinc/49/53/56/874495356.db2.gz PCUKQHYJXHGXRO-KSZLIROESA-N 1 3 380.598 3.540 20 0 GHADHO C[C@@H](CNCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449093582 874495362 /nfs/dbraw/zinc/49/53/62/874495362.db2.gz PCUKQHYJXHGXRO-KSZLIROESA-N 1 3 380.598 3.540 20 0 GHADHO COc1cccc(N2CC[C@@H](NC3CC[NH+]([C@@H](C)Cc4ccccc4)CC3)C2)c1 ZINC000449118770 874502054 /nfs/dbraw/zinc/50/20/54/874502054.db2.gz UJLMCWVZWAPJLL-NZQKXSOJSA-N 1 3 393.575 3.959 20 0 GHADHO C[C@H](CNC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122332 874504989 /nfs/dbraw/zinc/50/49/89/874504989.db2.gz KYHVQINRPFOJST-NQIIRXRSSA-N 1 3 392.609 3.828 20 0 GHADHO C[C@H](CNC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122332 874504995 /nfs/dbraw/zinc/50/49/95/874504995.db2.gz KYHVQINRPFOJST-NQIIRXRSSA-N 1 3 392.609 3.828 20 0 GHADHO COc1ccc2c(c1)OC[C@H](NC1CC[NH+]([C@H](C)Cc3ccccc3)CC1)C2 ZINC000449204980 874584266 /nfs/dbraw/zinc/58/42/66/874584266.db2.gz NFDCVXQNKVDFNG-XMSQKQJNSA-N 1 3 380.532 3.684 20 0 GHADHO C[C@@H]1C[N@H+](CCCNCc2ccnc3c(Br)cccc23)CCCO1 ZINC000449281258 874665835 /nfs/dbraw/zinc/66/58/35/874665835.db2.gz CVCKCKGIQIOOJZ-OAHLLOKOSA-N 1 3 392.341 3.588 20 0 GHADHO C[C@@H]1C[N@@H+](CCCNCc2ccnc3c(Br)cccc23)CCCO1 ZINC000449281258 874665843 /nfs/dbraw/zinc/66/58/43/874665843.db2.gz CVCKCKGIQIOOJZ-OAHLLOKOSA-N 1 3 392.341 3.588 20 0 GHADHO Cn1cc(CNCCC[N@@H+]2CCc3ccccc3C2)c(-c2cc(F)ccc2F)n1 ZINC001199237796 874866711 /nfs/dbraw/zinc/86/67/11/874866711.db2.gz GDNUFMITGFAEET-UHFFFAOYSA-N 1 3 396.485 3.903 20 0 GHADHO Cn1cc(CNCCC[N@H+]2CCc3ccccc3C2)c(-c2cc(F)ccc2F)n1 ZINC001199237796 874866724 /nfs/dbraw/zinc/86/67/24/874866724.db2.gz GDNUFMITGFAEET-UHFFFAOYSA-N 1 3 396.485 3.903 20 0 GHADHO COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc(Br)c1[O-] ZINC001199336788 874909775 /nfs/dbraw/zinc/90/97/75/874909775.db2.gz WVTGJDGDJIXQEH-AWEZNQCLSA-N 1 3 385.346 3.765 20 0 GHADHO COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc(Br)c1[O-] ZINC001199336788 874909781 /nfs/dbraw/zinc/90/97/81/874909781.db2.gz WVTGJDGDJIXQEH-AWEZNQCLSA-N 1 3 385.346 3.765 20 0 GHADHO CCCN1CCN(c2ccccc2CNCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001199329045 874928716 /nfs/dbraw/zinc/92/87/16/874928716.db2.gz MAIJKMCNUGQZBC-FGZHOGPDSA-N 1 3 386.628 3.676 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528713726 874948614 /nfs/dbraw/zinc/94/86/14/874948614.db2.gz MLBWZBAJZNBUPA-KRWDZBQOSA-N 1 3 394.519 3.516 20 0 GHADHO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000449597752 875101106 /nfs/dbraw/zinc/10/11/06/875101106.db2.gz ZTFDOJTZDQIYBM-PIIZRUITSA-N 1 3 394.563 3.531 20 0 GHADHO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475737200 882937851 /nfs/dbraw/zinc/93/78/51/882937851.db2.gz CWZPTUGOGYVLQH-CVEARBPZSA-N 1 3 377.960 3.507 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3cccc4ccccc43)c2)C1 ZINC000108420989 876467257 /nfs/dbraw/zinc/46/72/57/876467257.db2.gz MLQDRZOVJQKBCL-QHCPKHFHSA-N 1 3 387.527 3.827 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc4ccccc43)c2)C1 ZINC000108420989 876467264 /nfs/dbraw/zinc/46/72/64/876467264.db2.gz MLQDRZOVJQKBCL-QHCPKHFHSA-N 1 3 387.527 3.827 20 0 GHADHO CC(C)N1CCC([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000850012592 876598129 /nfs/dbraw/zinc/59/81/29/876598129.db2.gz NBAVRHVQOPAISH-UHFFFAOYSA-N 1 3 387.568 3.942 20 0 GHADHO CC[C@@H](NCc1cc(C[NH2+][C@@H](CC)[C@H]2CCCO2)ccc1F)[C@H]1CCCO1 ZINC000450725906 876852672 /nfs/dbraw/zinc/85/26/72/876852672.db2.gz JOFZSVRBJPVGSX-DXBBTUNJSA-N 1 3 378.532 3.920 20 0 GHADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)CN1CCCCC1 ZINC000850425932 876909150 /nfs/dbraw/zinc/90/91/50/876909150.db2.gz QYOUWSXXTKVUSI-VQIMIIECSA-N 1 3 397.485 3.734 20 0 GHADHO COC[C@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C1CCOCC1 ZINC000850492535 876969631 /nfs/dbraw/zinc/96/96/31/876969631.db2.gz CCCKIFPWMXFJQC-GCJKJVERSA-N 1 3 390.568 3.773 20 0 GHADHO CN(C)Cc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000858426423 883089353 /nfs/dbraw/zinc/08/93/53/883089353.db2.gz QFOWLHKHKRFKNG-OAQYLSRUSA-N 1 3 377.532 3.989 20 0 GHADHO CN(C)Cc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000858426423 883089366 /nfs/dbraw/zinc/08/93/66/883089366.db2.gz QFOWLHKHKRFKNG-OAQYLSRUSA-N 1 3 377.532 3.989 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000642642327 912240683 /nfs/dbraw/zinc/24/06/83/912240683.db2.gz WJVWOKCSRJEUPW-QHCPKHFHSA-N 1 3 394.563 3.602 20 0 GHADHO CSc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000245462136 877928315 /nfs/dbraw/zinc/92/83/15/877928315.db2.gz NNVJZGWIVFVRED-LAUBAEHRSA-N 1 3 397.588 3.957 20 0 GHADHO CSc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000245462136 877928320 /nfs/dbraw/zinc/92/83/20/877928320.db2.gz NNVJZGWIVFVRED-LAUBAEHRSA-N 1 3 397.588 3.957 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000245538424 878071427 /nfs/dbraw/zinc/07/14/27/878071427.db2.gz NAKPYOAMPYMMBJ-FYYLOGMGSA-N 1 3 398.595 3.801 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000245538430 878071581 /nfs/dbraw/zinc/07/15/81/878071581.db2.gz NAKPYOAMPYMMBJ-JTHBVZDNSA-N 1 3 398.595 3.801 20 0 GHADHO CN1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000245627657 878238070 /nfs/dbraw/zinc/23/80/70/878238070.db2.gz GYKUUBPMPNRVKE-XZOQPEGZSA-N 1 3 392.547 3.527 20 0 GHADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000177357636 878662700 /nfs/dbraw/zinc/66/27/00/878662700.db2.gz RZCJMAZDIJEZJL-UHFFFAOYSA-N 1 3 394.563 3.598 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C[C@@H](C)O1 ZINC000531178263 879299311 /nfs/dbraw/zinc/29/93/11/879299311.db2.gz ALIXVSSBFNSCJS-WOJBJXKFSA-N 1 3 382.552 3.584 20 0 GHADHO O=C(Oc1ccccc1)N1CCC[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000854222769 879640818 /nfs/dbraw/zinc/64/08/18/879640818.db2.gz MBDKCAVSCJYAEB-YMPZKCBVSA-N 1 3 393.531 3.775 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000617507477 880011810 /nfs/dbraw/zinc/01/18/10/880011810.db2.gz YKHVPOFOVOLGII-HNNXBMFYSA-N 1 3 387.490 3.528 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000617507477 880011827 /nfs/dbraw/zinc/01/18/27/880011827.db2.gz YKHVPOFOVOLGII-HNNXBMFYSA-N 1 3 387.490 3.528 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000531677079 880307729 /nfs/dbraw/zinc/30/77/29/880307729.db2.gz DCONADCYVJCJPM-MSOLQXFVSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000531677079 880307747 /nfs/dbraw/zinc/30/77/47/880307747.db2.gz DCONADCYVJCJPM-MSOLQXFVSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000531677079 880307749 /nfs/dbraw/zinc/30/77/49/880307749.db2.gz DCONADCYVJCJPM-MSOLQXFVSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000531684170 880314774 /nfs/dbraw/zinc/31/47/74/880314774.db2.gz LYHWYIVJHLSGLG-ZWKOTPCHSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H](C)C[NH+]1CCCCC1 ZINC000531684170 880314787 /nfs/dbraw/zinc/31/47/87/880314787.db2.gz LYHWYIVJHLSGLG-ZWKOTPCHSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000531932981 880786503 /nfs/dbraw/zinc/78/65/03/880786503.db2.gz GACJPCSORQBHPU-ROUUACIJSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[N@H+]1CCCC[C@@H]1C ZINC000531932981 880786509 /nfs/dbraw/zinc/78/65/09/880786509.db2.gz GACJPCSORQBHPU-ROUUACIJSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN1CCCC[C@@H]1C ZINC000531932981 880786515 /nfs/dbraw/zinc/78/65/15/880786515.db2.gz GACJPCSORQBHPU-ROUUACIJSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc4c(c3)COC(C)(C)O4)CC2)C[C@H](C)O1 ZINC000186310050 880850084 /nfs/dbraw/zinc/85/00/84/880850084.db2.gz MUKXTLSEKULJQH-HDICACEKSA-N 1 3 388.552 3.653 20 0 GHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc4c(c3)COC(C)(C)O4)CC2)C[C@H](C)O1 ZINC000186310050 880850102 /nfs/dbraw/zinc/85/01/02/880850102.db2.gz MUKXTLSEKULJQH-HDICACEKSA-N 1 3 388.552 3.653 20 0 GHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000186503490 880902664 /nfs/dbraw/zinc/90/26/64/880902664.db2.gz SPPOWGWEGQIVET-LZQZEXGQSA-N 1 3 383.374 3.859 20 0 GHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000186503490 880902678 /nfs/dbraw/zinc/90/26/78/880902678.db2.gz SPPOWGWEGQIVET-LZQZEXGQSA-N 1 3 383.374 3.859 20 0 GHADHO Cc1ccc(C[C@H](CO)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C ZINC000453467759 880974461 /nfs/dbraw/zinc/97/44/61/880974461.db2.gz ZDERCSKSQNOOGE-ZKGSSEMHSA-N 1 3 378.560 3.992 20 0 GHADHO Cc1ccc(C[C@H](CO)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC000453467759 880974474 /nfs/dbraw/zinc/97/44/74/880974474.db2.gz ZDERCSKSQNOOGE-ZKGSSEMHSA-N 1 3 378.560 3.992 20 0 GHADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@H](CCO)c1ccccc1 ZINC000537624709 881277515 /nfs/dbraw/zinc/27/75/15/881277515.db2.gz RWGGHPQMKDQSFV-HSZRJFAPSA-N 1 3 381.564 3.773 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000477012495 883554296 /nfs/dbraw/zinc/55/42/96/883554296.db2.gz SJJLTSZODHNPSW-WIYYLYMNSA-N 1 3 398.551 3.804 20 0 GHADHO Brc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000193985678 883618552 /nfs/dbraw/zinc/61/85/52/883618552.db2.gz MNGHUWYMTIQLBH-AUUYWEPGSA-N 1 3 379.342 3.527 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)N(C)C)cc1 ZINC000465433748 883744218 /nfs/dbraw/zinc/74/42/18/883744218.db2.gz OCJSCYBTPOKWSP-BHIFYINESA-N 1 3 386.584 3.508 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)N(C)C)cc1 ZINC000465433748 883744232 /nfs/dbraw/zinc/74/42/32/883744232.db2.gz OCJSCYBTPOKWSP-BHIFYINESA-N 1 3 386.584 3.508 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760233715 884069242 /nfs/dbraw/zinc/06/92/42/884069242.db2.gz IBXNHSPUYLZFOH-HSZRJFAPSA-N 1 3 379.548 3.809 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC000191594794 884202826 /nfs/dbraw/zinc/20/28/26/884202826.db2.gz UEPIFFFQQMKNLS-UHFFFAOYSA-N 1 3 379.976 3.599 20 0 GHADHO CCO[C@@H]1C[C@](N)(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)C1(C)C ZINC000262794142 884513484 /nfs/dbraw/zinc/51/34/84/884513484.db2.gz PDIVXTIAKXUXAY-BOCKYXSRSA-N 1 3 389.584 3.545 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000460349092 884931017 /nfs/dbraw/zinc/93/10/17/884931017.db2.gz QRNCCFWRBDEDAI-ROUUACIJSA-N 1 3 399.966 3.702 20 0 GHADHO Cc1cc(F)c(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc1F ZINC001211915400 885067537 /nfs/dbraw/zinc/06/75/37/885067537.db2.gz IWKVRCJFZDASOB-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(F)c(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc1F ZINC001211915400 885067546 /nfs/dbraw/zinc/06/75/46/885067546.db2.gz IWKVRCJFZDASOB-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO COc1cnc(Cl)cc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170526135 885486565 /nfs/dbraw/zinc/48/65/65/885486565.db2.gz QJNZVKWBLZTWCA-UHFFFAOYSA-N 1 3 384.911 3.653 20 0 GHADHO c1cc2cccc(-c3noc([C@H]4C[N@@H+](Cc5ccccc5)CC45CNC5)n3)c2o1 ZINC001211917299 885576156 /nfs/dbraw/zinc/57/61/56/885576156.db2.gz XVQMRWVOSNKZAW-LJQANCHMSA-N 1 3 386.455 3.672 20 0 GHADHO c1cc2cccc(-c3noc([C@H]4C[N@H+](Cc5ccccc5)CC45CNC5)n3)c2o1 ZINC001211917299 885576171 /nfs/dbraw/zinc/57/61/71/885576171.db2.gz XVQMRWVOSNKZAW-LJQANCHMSA-N 1 3 386.455 3.672 20 0 GHADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678816 885850324 /nfs/dbraw/zinc/85/03/24/885850324.db2.gz UYOGEDXTXKWISV-BDTNDASRSA-N 1 3 397.563 3.732 20 0 GHADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678816 885850337 /nfs/dbraw/zinc/85/03/37/885850337.db2.gz UYOGEDXTXKWISV-BDTNDASRSA-N 1 3 397.563 3.732 20 0 GHADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC001275287472 913003551 /nfs/dbraw/zinc/00/35/51/913003551.db2.gz PPYWFDKDMYYVDJ-FQEVSTJZSA-N 1 3 398.378 3.760 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)c2)n1 ZINC000556892295 886522015 /nfs/dbraw/zinc/52/20/15/886522015.db2.gz JLKOYZIJWVONLF-ZHALLVOQSA-N 1 3 385.533 3.559 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)c2)n1 ZINC000556892295 886522030 /nfs/dbraw/zinc/52/20/30/886522030.db2.gz JLKOYZIJWVONLF-ZHALLVOQSA-N 1 3 385.533 3.559 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3cc4ccccc4s3)c2)C1 ZINC000132277525 886771351 /nfs/dbraw/zinc/77/13/51/886771351.db2.gz RMJZSGQPTCWXLR-HXUWFJFHSA-N 1 3 393.556 3.888 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3cc4ccccc4s3)c2)C1 ZINC000132277525 886771360 /nfs/dbraw/zinc/77/13/60/886771360.db2.gz RMJZSGQPTCWXLR-HXUWFJFHSA-N 1 3 393.556 3.888 20 0 GHADHO COCC[NH+]1CCC(NCc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000237124801 886912803 /nfs/dbraw/zinc/91/28/03/886912803.db2.gz JWYZZMUUPDHKIC-UHFFFAOYSA-N 1 3 376.447 3.958 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)cc1CN1CCCCC1 ZINC000810242058 888339867 /nfs/dbraw/zinc/33/98/67/888339867.db2.gz JROMIQOCTFYXAF-GOSISDBHSA-N 1 3 395.547 3.560 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000810378626 888471028 /nfs/dbraw/zinc/47/10/28/888471028.db2.gz CDIZCWRSTVJNLD-CRHVVPOVSA-N 1 3 387.543 3.511 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000810378626 888471038 /nfs/dbraw/zinc/47/10/38/888471038.db2.gz CDIZCWRSTVJNLD-CRHVVPOVSA-N 1 3 387.543 3.511 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810568240 888628583 /nfs/dbraw/zinc/62/85/83/888628583.db2.gz XFSNXUFXBZMRHM-GCJKJVERSA-N 1 3 381.580 3.702 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810568240 888628589 /nfs/dbraw/zinc/62/85/89/888628589.db2.gz XFSNXUFXBZMRHM-GCJKJVERSA-N 1 3 381.580 3.702 20 0 GHADHO CC[C@@H](C)Oc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195343947 888681726 /nfs/dbraw/zinc/68/17/26/888681726.db2.gz URMYCBKPPVQUCX-QGZVFWFLSA-N 1 3 388.556 3.544 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CCOc3cccc4ccccc43)CC2)CC1 ZINC000542592808 889244807 /nfs/dbraw/zinc/24/48/07/889244807.db2.gz HWHNZHFWNWTKDP-UHFFFAOYSA-N 1 3 381.564 3.568 20 0 GHADHO O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000644554426 913361924 /nfs/dbraw/zinc/36/19/24/913361924.db2.gz PMOVOQDREBYVEO-WKWVNEEDSA-N 1 3 382.470 3.723 20 0 GHADHO CN(CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000533431953 890550410 /nfs/dbraw/zinc/55/04/10/890550410.db2.gz RYBJFUXCLPWIJG-FQEVSTJZSA-N 1 3 379.548 3.556 20 0 GHADHO CN(CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000533431953 890550426 /nfs/dbraw/zinc/55/04/26/890550426.db2.gz RYBJFUXCLPWIJG-FQEVSTJZSA-N 1 3 379.548 3.556 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000126928943 890821691 /nfs/dbraw/zinc/82/16/91/890821691.db2.gz KZTJYJJRYHDPIQ-MOPGFXCFSA-N 1 3 392.613 3.696 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000126928943 890821700 /nfs/dbraw/zinc/82/17/00/890821700.db2.gz KZTJYJJRYHDPIQ-MOPGFXCFSA-N 1 3 392.613 3.696 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(OCc2ccccc2)c1 ZINC000127947175 891330571 /nfs/dbraw/zinc/33/05/71/891330571.db2.gz ZMIZCTZPRCJOQV-UGKGYDQZSA-N 1 3 395.547 3.504 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCN3C3CCOCC3)cc2)C1 ZINC000247312460 891365492 /nfs/dbraw/zinc/36/54/92/891365492.db2.gz RDVIJDSCQYPKPS-PGRDOPGGSA-N 1 3 385.552 3.500 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCN3C3CCOCC3)cc2)C1 ZINC000247312460 891365504 /nfs/dbraw/zinc/36/55/04/891365504.db2.gz RDVIJDSCQYPKPS-PGRDOPGGSA-N 1 3 385.552 3.500 20 0 GHADHO Cc1sc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1Br ZINC000873103140 891470316 /nfs/dbraw/zinc/47/03/16/891470316.db2.gz XTFATVYHVVSBOC-MRXNPFEDSA-N 1 3 395.366 3.675 20 0 GHADHO Cc1sc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Br ZINC000873103140 891470325 /nfs/dbraw/zinc/47/03/25/891470325.db2.gz XTFATVYHVVSBOC-MRXNPFEDSA-N 1 3 395.366 3.675 20 0 GHADHO Cc1sc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Br ZINC000873134904 891480986 /nfs/dbraw/zinc/48/09/86/891480986.db2.gz FEGKESJQPJJKOE-MRXNPFEDSA-N 1 3 395.366 3.675 20 0 GHADHO Cc1sc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Br ZINC000873134904 891480990 /nfs/dbraw/zinc/48/09/90/891480990.db2.gz FEGKESJQPJJKOE-MRXNPFEDSA-N 1 3 395.366 3.675 20 0 GHADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000287972134 913608963 /nfs/dbraw/zinc/60/89/63/913608963.db2.gz JODYWKNHSOUQOP-PGRDOPGGSA-N 1 3 398.551 3.577 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000533740542 892712547 /nfs/dbraw/zinc/71/25/47/892712547.db2.gz NBUIDNWQQSUYTP-HMILPKGGSA-N 1 3 399.604 3.807 20 0 GHADHO CCOc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000563135536 893397620 /nfs/dbraw/zinc/39/76/20/893397620.db2.gz PMZPWQGLYKQYON-QGZVFWFLSA-N 1 3 386.458 3.848 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(C4CC4)cc3)c2)C1 ZINC000459422615 893503326 /nfs/dbraw/zinc/50/33/26/893503326.db2.gz FYKLCSAUHAODBX-HSZRJFAPSA-N 1 3 377.532 3.551 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(C4CC4)cc3)c2)C1 ZINC000459422615 893503346 /nfs/dbraw/zinc/50/33/46/893503346.db2.gz FYKLCSAUHAODBX-HSZRJFAPSA-N 1 3 377.532 3.551 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643970 893675668 /nfs/dbraw/zinc/67/56/68/893675668.db2.gz BSHXBKAEEXXWSP-JRGCBEDISA-N 1 3 388.939 3.722 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379643970 893675677 /nfs/dbraw/zinc/67/56/77/893675677.db2.gz BSHXBKAEEXXWSP-JRGCBEDISA-N 1 3 388.939 3.722 20 0 GHADHO OC1(C[NH2+]Cc2cc3c(ccnc3Cl)o2)CCN(Cc2ccccc2)CC1 ZINC000877589396 893707208 /nfs/dbraw/zinc/70/72/08/893707208.db2.gz CIBVYGITEZWQQI-UHFFFAOYSA-N 1 3 385.895 3.598 20 0 GHADHO OC1(CNCc2cc3c(ccnc3Cl)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000877589396 893707222 /nfs/dbraw/zinc/70/72/22/893707222.db2.gz CIBVYGITEZWQQI-UHFFFAOYSA-N 1 3 385.895 3.598 20 0 GHADHO CC(C)n1ncc2cc(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)c(Cl)nc21 ZINC000126818053 893918837 /nfs/dbraw/zinc/91/88/37/893918837.db2.gz NSPKAGMLFVUOIH-IYBDPMFKSA-N 1 3 393.963 3.645 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000826016353 894031152 /nfs/dbraw/zinc/03/11/52/894031152.db2.gz MABSGAMWKVGZKY-IBGZPJMESA-N 1 3 388.943 3.592 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574989 894399027 /nfs/dbraw/zinc/39/90/27/894399027.db2.gz YQPLPSZAEJTZMG-WOJBJXKFSA-N 1 3 392.609 3.786 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574989 894399045 /nfs/dbraw/zinc/39/90/45/894399045.db2.gz YQPLPSZAEJTZMG-WOJBJXKFSA-N 1 3 392.609 3.786 20 0 GHADHO C[C@H]([NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)[C@@H](O)Cc1ccccc1 ZINC000537192618 894516192 /nfs/dbraw/zinc/51/61/92/894516192.db2.gz PMEBQLRKYGSJSX-NYVOZVTQSA-N 1 3 380.532 3.556 20 0 GHADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249564 894931535 /nfs/dbraw/zinc/93/15/35/894931535.db2.gz URPNAYUYJZDIIF-MSOLQXFVSA-N 1 3 375.582 3.608 20 0 GHADHO Brc1ccccc1-c1cnc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000565047438 895368460 /nfs/dbraw/zinc/36/84/60/895368460.db2.gz RPZLGTFTXFGKNO-CABCVRRESA-N 1 3 390.325 3.926 20 0 GHADHO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245033 896196334 /nfs/dbraw/zinc/19/63/34/896196334.db2.gz XXJMJELXAJSMNA-DXIQSLLYSA-N 1 3 381.495 3.827 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@@H]3CC4CCC3CC4)CC2)CC1 ZINC000566463520 896326840 /nfs/dbraw/zinc/32/68/40/896326840.db2.gz GAEIQFXQIXHIQR-SQOVAUKPSA-N 1 3 375.601 3.514 20 0 GHADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000819016047 896351030 /nfs/dbraw/zinc/35/10/30/896351030.db2.gz RPSJECMHUFIXSS-WIYYLYMNSA-N 1 3 392.465 3.893 20 0 GHADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000566841457 896623242 /nfs/dbraw/zinc/62/32/42/896623242.db2.gz XGUTTYFMPBHSTL-XZOQPEGZSA-N 1 3 397.538 3.642 20 0 GHADHO Clc1cccc2c1C[C@@H]([N@H+]1CCc3ncc(CN4CCCC4)n3CC1)CC2 ZINC001170927340 896723134 /nfs/dbraw/zinc/72/31/34/896723134.db2.gz CVLIXAZRSWAFMR-SFHVURJKSA-N 1 3 384.955 3.548 20 0 GHADHO Clc1cccc2c1C[C@@H]([N@@H+]1CCc3ncc(CN4CCCC4)n3CC1)CC2 ZINC001170927340 896723146 /nfs/dbraw/zinc/72/31/46/896723146.db2.gz CVLIXAZRSWAFMR-SFHVURJKSA-N 1 3 384.955 3.548 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000567486023 897194967 /nfs/dbraw/zinc/19/49/67/897194967.db2.gz XXFQAMSHTXPJIB-OAQYLSRUSA-N 1 3 389.971 3.810 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)CC2)CC1 ZINC000568213547 897679330 /nfs/dbraw/zinc/67/93/30/897679330.db2.gz CHCLGKKAFSVFDX-SFHVURJKSA-N 1 3 383.580 3.938 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000570153622 899161475 /nfs/dbraw/zinc/16/14/75/899161475.db2.gz NGFFWGOFNNCQND-SGTLLEGYSA-N 1 3 375.314 3.808 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000823676394 899203027 /nfs/dbraw/zinc/20/30/27/899203027.db2.gz ANZQHPHEISAMTJ-IBGZPJMESA-N 1 3 389.547 3.761 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c(F)cccc3NC3CC3)CC2)CC1 ZINC000570654241 899474425 /nfs/dbraw/zinc/47/44/25/899474425.db2.gz XNPIUNQXLVMHPS-UHFFFAOYSA-N 1 3 388.531 3.535 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000886709645 901239732 /nfs/dbraw/zinc/23/97/32/901239732.db2.gz VMXSWYGGNJELRV-CEMLEFRQSA-N 1 3 378.601 3.985 20 0 GHADHO Cc1cccc(-c2n[nH]cc2CN(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000092645246 901503123 /nfs/dbraw/zinc/50/31/23/901503123.db2.gz YKKBOXMKAWKMME-UHFFFAOYSA-N 1 3 389.547 3.919 20 0 GHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@H]1C ZINC000576265858 901891126 /nfs/dbraw/zinc/89/11/26/901891126.db2.gz CGJCOBBNEZBXQC-ZBFHGGJFSA-N 1 3 386.483 3.652 20 0 GHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@H]1C ZINC000576265858 901891129 /nfs/dbraw/zinc/89/11/29/901891129.db2.gz CGJCOBBNEZBXQC-ZBFHGGJFSA-N 1 3 386.483 3.652 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H](CO)Cc3cc(F)c(F)c(F)c3)CC2)C1 ZINC000576340696 901962601 /nfs/dbraw/zinc/96/26/01/901962601.db2.gz OSORUZRTSVNDBT-SUMDDJOVSA-N 1 3 398.513 3.888 20 0 GHADHO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460166 902230685 /nfs/dbraw/zinc/23/06/85/902230685.db2.gz CPEQHDDLFSVWKK-LEWJYISDSA-N 1 3 389.971 3.781 20 0 GHADHO O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460166 902230697 /nfs/dbraw/zinc/23/06/97/902230697.db2.gz CPEQHDDLFSVWKK-LEWJYISDSA-N 1 3 389.971 3.781 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778974678 902391900 /nfs/dbraw/zinc/39/19/00/902391900.db2.gz GFSPLXXXHYNHKM-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000845953412 902527037 /nfs/dbraw/zinc/52/70/37/902527037.db2.gz HUFUAGCYJYFMSF-TXQGORRRSA-N 1 3 379.589 3.922 20 0 GHADHO CC[NH+]1CCC(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC1 ZINC000779002574 902692255 /nfs/dbraw/zinc/69/22/55/902692255.db2.gz HPTWPZPPBGYFDT-LEWJYISDSA-N 1 3 387.568 3.854 20 0 GHADHO C[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000600854631 903008610 /nfs/dbraw/zinc/00/86/10/903008610.db2.gz OPZYTMKJPKZRLO-HBMCJLEFSA-N 1 3 388.600 3.564 20 0 GHADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000600854631 903008625 /nfs/dbraw/zinc/00/86/25/903008625.db2.gz OPZYTMKJPKZRLO-HBMCJLEFSA-N 1 3 388.600 3.564 20 0 GHADHO N[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749253 903153124 /nfs/dbraw/zinc/15/31/24/903153124.db2.gz VBSOMYWIEQHTET-DNVJHFABSA-N 1 3 377.532 3.590 20 0 GHADHO N[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749253 903153127 /nfs/dbraw/zinc/15/31/27/903153127.db2.gz VBSOMYWIEQHTET-DNVJHFABSA-N 1 3 377.532 3.590 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H]3CCC(C)C)CC2)CC1 ZINC000577767136 903167879 /nfs/dbraw/zinc/16/78/79/903167879.db2.gz SYJKZNPFBUNFSI-SIKLNZKXSA-N 1 3 377.617 3.904 20 0 GHADHO CC(C)[C@H](CCc1ccccc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000578651183 904027519 /nfs/dbraw/zinc/02/75/19/904027519.db2.gz HDJBMXQNZSIWHI-QHCPKHFHSA-N 1 3 399.623 3.958 20 0 GHADHO CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000579154189 904383331 /nfs/dbraw/zinc/38/33/31/904383331.db2.gz WAGCNNIYTHUBLZ-UHFFFAOYSA-N 1 3 391.987 3.885 20 0 GHADHO CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171636200 904923953 /nfs/dbraw/zinc/92/39/53/904923953.db2.gz CAARKUDVFGUPDD-HXUWFJFHSA-N 1 3 398.595 3.513 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1(C)C ZINC001171640304 904929476 /nfs/dbraw/zinc/92/94/76/904929476.db2.gz BQHYAHKZBXJGIK-UHFFFAOYSA-N 1 3 375.532 3.671 20 0 GHADHO C[NH+]1C(C)(C)CC(N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1(C)C ZINC001171640304 904929489 /nfs/dbraw/zinc/92/94/89/904929489.db2.gz BQHYAHKZBXJGIK-UHFFFAOYSA-N 1 3 375.532 3.671 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(CC3CC3)CC1)C2 ZINC001172086651 905300126 /nfs/dbraw/zinc/30/01/26/905300126.db2.gz DTIGPXSYOKIODI-REPLKXPHSA-N 1 3 377.573 3.900 20 0 GHADHO CCOC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCS1 ZINC001172087078 905301989 /nfs/dbraw/zinc/30/19/89/905301989.db2.gz JHRKUEFQVUNVCY-BQJUDKOJSA-N 1 3 388.577 3.553 20 0 GHADHO CCOC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCS1 ZINC001172087078 905302007 /nfs/dbraw/zinc/30/20/07/905302007.db2.gz JHRKUEFQVUNVCY-BQJUDKOJSA-N 1 3 388.577 3.553 20 0 GHADHO CCC(=O)N(C)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172089947 905307366 /nfs/dbraw/zinc/30/73/66/905307366.db2.gz SZNKPSOQUDMRCN-NUNAXRQHSA-N 1 3 383.580 3.905 20 0 GHADHO CCC(=O)N(C)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172089947 905307376 /nfs/dbraw/zinc/30/73/76/905307376.db2.gz SZNKPSOQUDMRCN-NUNAXRQHSA-N 1 3 383.580 3.905 20 0 GHADHO Cc1cc(N2CC[C@@H](N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC001172068215 905333275 /nfs/dbraw/zinc/33/32/75/905333275.db2.gz UROCCHRKYXWCCE-ODAXIHTASA-N 1 3 391.563 3.539 20 0 GHADHO Cc1cc(N2CC[C@@H](N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC001172068215 905333303 /nfs/dbraw/zinc/33/33/03/905333303.db2.gz UROCCHRKYXWCCE-ODAXIHTASA-N 1 3 391.563 3.539 20 0 GHADHO CCCCCC[C@@H](CCCC)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172513291 905607781 /nfs/dbraw/zinc/60/77/81/905607781.db2.gz MWXILUWVSPDWBK-GOSISDBHSA-N 1 3 392.588 3.853 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN)CCN1C(=O)OC(C)(C)C ZINC001172603040 905662198 /nfs/dbraw/zinc/66/21/98/905662198.db2.gz IRAKWLZIQJPAAD-LJHODMEESA-N 1 3 379.520 3.759 20 0 GHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001172958692 906065526 /nfs/dbraw/zinc/06/55/26/906065526.db2.gz KJOWURWLXLYPKV-SFHVURJKSA-N 1 3 390.572 3.529 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@@H]1CCc3ncsc3C1)CC2 ZINC001173133777 906214051 /nfs/dbraw/zinc/21/40/51/906214051.db2.gz FCRAEAHBUOCBKZ-WOJBJXKFSA-N 1 3 397.588 3.756 20 0 GHADHO NC1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCOCC1 ZINC000629522388 906853968 /nfs/dbraw/zinc/85/39/68/906853968.db2.gz YWROOICBFBLCQX-OAHLLOKOSA-N 1 3 377.941 3.938 20 0 GHADHO Cn1ccnc1[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000183293371 907363790 /nfs/dbraw/zinc/36/37/90/907363790.db2.gz KFGWCODPVKRGBR-QFIPXVFZSA-N 1 3 382.552 3.532 20 0 GHADHO COc1cccc2c1OCCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000631646874 907786469 /nfs/dbraw/zinc/78/64/69/907786469.db2.gz OJEYFGNTTHMEIZ-OAQYLSRUSA-N 1 3 381.520 3.806 20 0 GHADHO C[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000631769512 907837747 /nfs/dbraw/zinc/83/77/47/907837747.db2.gz SKEFZDJBCBZQLQ-DBXWQHBBSA-N 1 3 392.609 3.826 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC001177266125 908507102 /nfs/dbraw/zinc/50/71/02/908507102.db2.gz AYPMUTTZPWQHOJ-DUXKGJEZSA-N 1 3 376.516 3.784 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC001177266125 908507115 /nfs/dbraw/zinc/50/71/15/908507115.db2.gz AYPMUTTZPWQHOJ-DUXKGJEZSA-N 1 3 376.516 3.784 20 0 GHADHO C[NH+](C)CCCCCNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178591559 909113810 /nfs/dbraw/zinc/11/38/10/909113810.db2.gz SCEPEXKHLPVWIE-UHFFFAOYSA-N 1 3 379.548 3.556 20 0 GHADHO CC(C)COC(=O)N1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000089145127 909813075 /nfs/dbraw/zinc/81/30/75/909813075.db2.gz NLHNYCJRMMYSMS-UHFFFAOYSA-N 1 3 379.589 3.878 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC001180332547 910102928 /nfs/dbraw/zinc/10/29/28/910102928.db2.gz QZJNJADPNJNSNP-BQIYRTECSA-N 1 3 395.950 3.681 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000638380248 910137688 /nfs/dbraw/zinc/13/76/88/910137688.db2.gz AAFYJMQTBCHSEC-ATZDWAIDSA-N 1 3 380.374 3.516 20 0 GHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(-n2cccn2)cc1 ZINC000269099474 910139550 /nfs/dbraw/zinc/13/95/50/910139550.db2.gz SXDGOHXJKXZAAL-LJQANCHMSA-N 1 3 390.531 3.680 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccc(-n2cccn2)cc1 ZINC000269099474 910139563 /nfs/dbraw/zinc/13/95/63/910139563.db2.gz SXDGOHXJKXZAAL-LJQANCHMSA-N 1 3 390.531 3.680 20 0 GHADHO c1ccc([C@H](CN2CCC[C@H]3COCC[C@@H]32)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516317 910479802 /nfs/dbraw/zinc/47/98/02/910479802.db2.gz QVVIPRJITMFSSM-QVXKZJQXSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@H](CN2CCC[C@H]3COCC[C@@H]32)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516317 910479811 /nfs/dbraw/zinc/47/98/11/910479811.db2.gz QVVIPRJITMFSSM-QVXKZJQXSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@@H](CN2CCC[C@@H]3COCC[C@@H]32)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000639516317 910479821 /nfs/dbraw/zinc/47/98/21/910479821.db2.gz QVVIPRJITMFSSM-QVXKZJQXSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@@H](CN2CCC[C@@H]3COCC[C@@H]32)C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000639516317 910479831 /nfs/dbraw/zinc/47/98/31/910479831.db2.gz QVVIPRJITMFSSM-QVXKZJQXSA-N 1 3 398.591 3.772 20 0 GHADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000283814674 911657464 /nfs/dbraw/zinc/65/74/64/911657464.db2.gz DJHBZZNUFSANRI-UHFFFAOYSA-N 1 3 379.957 3.788 20 0 GHADHO CC(C)C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288889 915139081 /nfs/dbraw/zinc/13/90/81/915139081.db2.gz TYIXSRZCVAHMFU-XZOQPEGZSA-N 1 3 394.563 3.656 20 0 GHADHO CC(C)C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288889 915139084 /nfs/dbraw/zinc/13/90/84/915139084.db2.gz TYIXSRZCVAHMFU-XZOQPEGZSA-N 1 3 394.563 3.656 20 0 GHADHO C[NH+]1CCC(CNC(=O)Nc2cc(C(F)F)ccc2F)(N2CCCCC2)CC1 ZINC000650386851 916941556 /nfs/dbraw/zinc/94/15/56/916941556.db2.gz OELXCTDJIFDCNP-UHFFFAOYSA-N 1 3 398.473 3.835 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H](c5cccnc5)C4)[C@@H]3C2)cc1 ZINC000295119543 917151096 /nfs/dbraw/zinc/15/10/96/917151096.db2.gz XDKHGPIWRGVNKO-JTKSJCOOSA-N 1 3 377.532 3.802 20 0 GHADHO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(OC)c(CN(CC)CC)c2)CC1 ZINC000775361789 917164534 /nfs/dbraw/zinc/16/45/34/917164534.db2.gz DATYWKUVHYEDHS-KRWDZBQOSA-N 1 3 391.556 3.809 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)cc1CN1CCCCC1 ZINC000775365678 917192249 /nfs/dbraw/zinc/19/22/49/917192249.db2.gz YHHLFOLSVRYJPM-UGKGYDQZSA-N 1 3 398.547 3.772 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)ccc1OC ZINC000775383602 917316639 /nfs/dbraw/zinc/31/66/39/917316639.db2.gz ZVLCJVSSEGOVMM-MRXNPFEDSA-N 1 3 383.527 3.917 20 0 GHADHO CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CCc2ccccc2C1 ZINC001190510311 917374331 /nfs/dbraw/zinc/37/43/31/917374331.db2.gz LTNSUNZSZUOXCO-ZEQRLZLVSA-N 1 3 393.575 3.675 20 0 GHADHO CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CCc2ccccc2C1 ZINC001190510311 917374345 /nfs/dbraw/zinc/37/43/45/917374345.db2.gz LTNSUNZSZUOXCO-ZEQRLZLVSA-N 1 3 393.575 3.675 20 0 GHADHO [NH3+]CCCC[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1F ZINC000902351505 922112980 /nfs/dbraw/zinc/11/29/80/922112980.db2.gz YZNAAJVVBLIYES-YLJYHZDGSA-N 1 3 379.495 3.516 20 0 GHADHO COc1ccccc1-c1noc(C2CC[NH+](CC[C@@H]3CCCCN3C)CC2)n1 ZINC000368434283 922671197 /nfs/dbraw/zinc/67/11/97/922671197.db2.gz ORYBRNUOJCJTPD-SFHVURJKSA-N 1 3 384.524 3.799 20 0 GHADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000903126264 922795019 /nfs/dbraw/zinc/79/50/19/922795019.db2.gz RKOJDPZRLQQALR-SHFXZJCHSA-N 1 3 382.470 3.604 20 0 GHADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000903126264 922795027 /nfs/dbraw/zinc/79/50/27/922795027.db2.gz RKOJDPZRLQQALR-SHFXZJCHSA-N 1 3 382.470 3.604 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C12CCC2 ZINC000903206830 922853205 /nfs/dbraw/zinc/85/32/05/922853205.db2.gz UACVASKOKVXFPQ-DQXYTYHJSA-N 1 3 375.557 3.666 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000903206830 922853214 /nfs/dbraw/zinc/85/32/14/922853214.db2.gz UACVASKOKVXFPQ-DQXYTYHJSA-N 1 3 375.557 3.666 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)ccc1OC ZINC000903350804 922950376 /nfs/dbraw/zinc/95/03/76/922950376.db2.gz YTWNOADSXZQCSD-SFHVURJKSA-N 1 3 390.568 3.509 20 0 GHADHO CC1CCN(CCC[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000676870960 924119161 /nfs/dbraw/zinc/11/91/61/924119161.db2.gz DELDBILONWFJKO-WOJBJXKFSA-N 1 3 397.563 3.696 20 0 GHADHO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)s2)cc1 ZINC000370702731 924265792 /nfs/dbraw/zinc/26/57/92/924265792.db2.gz RBJUFMWJALVZAV-NQIIRXRSSA-N 1 3 384.593 3.576 20 0 GHADHO Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)s2)cc1 ZINC000370702731 924265801 /nfs/dbraw/zinc/26/58/01/924265801.db2.gz RBJUFMWJALVZAV-NQIIRXRSSA-N 1 3 384.593 3.576 20 0 GHADHO CC(=O)N1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000677426510 924358211 /nfs/dbraw/zinc/35/82/11/924358211.db2.gz VQYTVADDOJERKG-QHCPKHFHSA-N 1 3 393.531 3.749 20 0 GHADHO Cc1nc2ccccc2nc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371158697 924453750 /nfs/dbraw/zinc/45/37/50/924453750.db2.gz VWPBAJSIALMHDG-UHFFFAOYSA-N 1 3 395.595 3.566 20 0 GHADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000680508365 925499892 /nfs/dbraw/zinc/49/98/92/925499892.db2.gz HZNNBFPWYOHTNT-KNQAVFIVSA-N 1 3 386.584 3.585 20 0 GHADHO CC(C)N1CCN(c2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)no3)cc2)CC1 ZINC000680776347 925603593 /nfs/dbraw/zinc/60/35/93/925603593.db2.gz DVBPHMASZCVWLU-VCSGRIEYSA-N 1 3 395.551 3.607 20 0 GHADHO CC(C)N1CCN(c2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)no3)cc2)CC1 ZINC000680776347 925603597 /nfs/dbraw/zinc/60/35/97/925603597.db2.gz DVBPHMASZCVWLU-VCSGRIEYSA-N 1 3 395.551 3.607 20 0 GHADHO CCC[NH+]1CCC(NCc2ccccc2-c2ccc(Cn3cncn3)cc2)CC1 ZINC000680876390 925640906 /nfs/dbraw/zinc/64/09/06/925640906.db2.gz ULXHIUJULAHYFK-UHFFFAOYSA-N 1 3 389.547 3.957 20 0 GHADHO CC(C)[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000411471029 926427118 /nfs/dbraw/zinc/42/71/18/926427118.db2.gz DGWBLRUDQOLGIO-HXUWFJFHSA-N 1 3 399.501 3.981 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CNC2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000411473725 926435082 /nfs/dbraw/zinc/43/50/82/926435082.db2.gz KWOSZESQMFLIOZ-UHFFFAOYSA-N 1 3 377.960 3.688 20 0 GHADHO CSc1ccccc1NC(=O)CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518829 926485349 /nfs/dbraw/zinc/48/53/49/926485349.db2.gz QKSVRFDCYCQZQP-IRXDYDNUSA-N 1 3 375.582 3.980 20 0 GHADHO CSc1ccccc1NC(=O)CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518829 926485356 /nfs/dbraw/zinc/48/53/56/926485356.db2.gz QKSVRFDCYCQZQP-IRXDYDNUSA-N 1 3 375.582 3.980 20 0 GHADHO CN(C)c1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000749571567 927194477 /nfs/dbraw/zinc/19/44/77/927194477.db2.gz KNZYCAROXRPVKQ-NRFANRHFSA-N 1 3 394.563 3.535 20 0 GHADHO CN(C)c1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000749571567 927194493 /nfs/dbraw/zinc/19/44/93/927194493.db2.gz KNZYCAROXRPVKQ-NRFANRHFSA-N 1 3 394.563 3.535 20 0 GHADHO C[C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+]1CCCCCC1 ZINC000469331762 929794951 /nfs/dbraw/zinc/79/49/51/929794951.db2.gz BGXRMBAFBNOMAR-SFHVURJKSA-N 1 3 391.987 3.933 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000757772791 929795546 /nfs/dbraw/zinc/79/55/46/929795546.db2.gz KXPYGSGZHMYNLE-WMZHIEFXSA-N 1 3 394.563 3.553 20 0 GHADHO COc1cc2c(cc1CNCC[C@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)OCO2 ZINC000546056175 929812537 /nfs/dbraw/zinc/81/25/37/929812537.db2.gz NWLAUTVDJDUGOD-MJGOQNOKSA-N 1 3 382.504 3.814 20 0 GHADHO COc1cc2c(cc1CNCC[C@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000546056175 929812543 /nfs/dbraw/zinc/81/25/43/929812543.db2.gz NWLAUTVDJDUGOD-MJGOQNOKSA-N 1 3 382.504 3.814 20 0 GHADHO C[C@H](NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000469757720 930139485 /nfs/dbraw/zinc/13/94/85/930139485.db2.gz NPCOIZSNVVNMQR-QRVBRYPASA-N 1 3 397.538 3.749 20 0 GHADHO CN1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000758735487 930153047 /nfs/dbraw/zinc/15/30/47/930153047.db2.gz AUVUXTIXUAYASK-DHIUTWEWSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000470757998 930888530 /nfs/dbraw/zinc/88/85/30/930888530.db2.gz VEWOQFLEFJDREW-SJBKTWHCSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000470757998 930888535 /nfs/dbraw/zinc/88/85/35/930888535.db2.gz VEWOQFLEFJDREW-SJBKTWHCSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920905 931030462 /nfs/dbraw/zinc/03/04/62/931030462.db2.gz BDHZBCYIPBUTBC-CXAGYDPISA-N 1 3 394.346 3.993 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920905 931030465 /nfs/dbraw/zinc/03/04/65/931030465.db2.gz BDHZBCYIPBUTBC-CXAGYDPISA-N 1 3 394.346 3.993 20 0 GHADHO O=C(CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccccn1 ZINC000924832620 931557330 /nfs/dbraw/zinc/55/73/30/931557330.db2.gz LZRHACWMVYHNOZ-SEJPIABJSA-N 1 3 378.520 3.586 20 0 GHADHO O=C(CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccn1 ZINC000924832620 931557333 /nfs/dbraw/zinc/55/73/33/931557333.db2.gz LZRHACWMVYHNOZ-SEJPIABJSA-N 1 3 378.520 3.586 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CCCOc3ccc4ccccc4c3)CC2)CC1 ZINC000558413671 931988765 /nfs/dbraw/zinc/98/87/65/931988765.db2.gz OEGUKGDSQMYSFJ-UHFFFAOYSA-N 1 3 395.591 3.958 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000559244787 932545797 /nfs/dbraw/zinc/54/57/97/932545797.db2.gz XUEMDHVKWAIPGN-SFHVURJKSA-N 1 3 379.976 3.921 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000559244787 932545819 /nfs/dbraw/zinc/54/58/19/932545819.db2.gz XUEMDHVKWAIPGN-SFHVURJKSA-N 1 3 379.976 3.921 20 0 GHADHO CN1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000559849955 932909912 /nfs/dbraw/zinc/90/99/12/932909912.db2.gz XIFWWECGHRBEEW-DHIUTWEWSA-N 1 3 377.532 3.848 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531001 933315028 /nfs/dbraw/zinc/31/50/28/933315028.db2.gz VYJGSRFODIGAHU-CMPZQBNXSA-N 1 3 385.533 3.813 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531001 933315040 /nfs/dbraw/zinc/31/50/40/933315040.db2.gz VYJGSRFODIGAHU-CMPZQBNXSA-N 1 3 385.533 3.813 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)CC1 ZINC000560611136 933385881 /nfs/dbraw/zinc/38/58/81/933385881.db2.gz GEIBZTBUPWKKMF-HSZRJFAPSA-N 1 3 383.580 3.610 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)CC1 ZINC000560611136 933385889 /nfs/dbraw/zinc/38/58/89/933385889.db2.gz GEIBZTBUPWKKMF-HSZRJFAPSA-N 1 3 383.580 3.610 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001116288460 933459007 /nfs/dbraw/zinc/45/90/07/933459007.db2.gz DVTGXVQJERARTH-QHCPKHFHSA-N 1 3 379.548 3.746 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C[C@H]1C(F)(F)F ZINC001119943400 934422375 /nfs/dbraw/zinc/42/23/75/934422375.db2.gz PBJMRJMXWWDQHA-MWDXBVQZSA-N 1 3 378.479 3.607 20 0 GHADHO COC(=O)c1ccccc1CN1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001137786164 935789319 /nfs/dbraw/zinc/78/93/19/935789319.db2.gz IMWDOBYDDVKEIS-UHFFFAOYSA-N 1 3 393.531 3.745 20 0 GHADHO COC(=O)c1ccccc1CN1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001137786164 935789322 /nfs/dbraw/zinc/78/93/22/935789322.db2.gz IMWDOBYDDVKEIS-UHFFFAOYSA-N 1 3 393.531 3.745 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc(Cl)n1 ZINC000829597863 935832674 /nfs/dbraw/zinc/83/26/74/935832674.db2.gz BOYJLQVPKFERAI-ZHALLVOQSA-N 1 3 392.975 3.546 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(Cl)n1 ZINC000829597863 935832677 /nfs/dbraw/zinc/83/26/77/935832677.db2.gz BOYJLQVPKFERAI-ZHALLVOQSA-N 1 3 392.975 3.546 20 0 GHADHO [NH3+]C1CCN(c2cccc(N[C@@H]3CCCC[C@H]3OCc3ccccc3)n2)CC1 ZINC001154716753 1032252927 /nfs/dbraw/zinc/25/29/27/1032252927.db2.gz RQOVUTNXAFHTKI-NHCUHLMSSA-N 1 3 380.536 3.949 20 0 GHADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001221271647 1032355864 /nfs/dbraw/zinc/35/58/64/1032355864.db2.gz HLCGRNIDDDQDRX-HNNXBMFYSA-N 1 3 388.533 3.891 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001221472545 1032429609 /nfs/dbraw/zinc/42/96/09/1032429609.db2.gz NZQQVVFHQUEGHL-BRGVPRLLSA-N 1 3 384.568 3.528 20 0 GHADHO CN(C)C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643688 1032619422 /nfs/dbraw/zinc/61/94/22/1032619422.db2.gz SGHOWRUAAYWGHT-RBBKRZOGSA-N 1 3 399.966 3.971 20 0 GHADHO CN(C)C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643688 1032619428 /nfs/dbraw/zinc/61/94/28/1032619428.db2.gz SGHOWRUAAYWGHT-RBBKRZOGSA-N 1 3 399.966 3.971 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC001204225500 1032673272 /nfs/dbraw/zinc/67/32/72/1032673272.db2.gz YNJLNCLQGUKODU-QGZVFWFLSA-N 1 3 376.447 3.813 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC001204225500 1032673282 /nfs/dbraw/zinc/67/32/82/1032673282.db2.gz YNJLNCLQGUKODU-QGZVFWFLSA-N 1 3 376.447 3.813 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCC(O)(Cc3ccccc3)CC2)cc1 ZINC001204263757 1032706365 /nfs/dbraw/zinc/70/63/65/1032706365.db2.gz BRTPSWJSPJILEE-UHFFFAOYSA-N 1 3 382.548 3.587 20 0 GHADHO Cc1n[nH]cc1C1CCN(CC[C@H](C)[NH+]2CCC(c3c[nH]nc3C)CC2)CC1 ZINC000560181626 1017566958 /nfs/dbraw/zinc/56/69/58/1017566958.db2.gz AMQYYDMLJKTTSO-INIZCTEOSA-N 1 3 384.572 3.587 20 0 GHADHO Cc1n[nH]cc1C1CCN([C@@H](C)CC[NH+]2CCC(c3c[nH]nc3C)CC2)CC1 ZINC000560181626 1017566965 /nfs/dbraw/zinc/56/69/65/1017566965.db2.gz AMQYYDMLJKTTSO-INIZCTEOSA-N 1 3 384.572 3.587 20 0 GHADHO C[C@H](c1ccccc1)N1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204268964 1032710945 /nfs/dbraw/zinc/71/09/45/1032710945.db2.gz QQJUGZVFKMRORH-OAQYLSRUSA-N 1 3 381.564 3.896 20 0 GHADHO CCCc1noc([C@H]2CCCN(Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204270098 1032712912 /nfs/dbraw/zinc/71/29/12/1032712912.db2.gz PFVSVNJCGDDHIG-IBGZPJMESA-N 1 3 386.540 3.732 20 0 GHADHO C(CN1CCC[C@@H](C2CCOCC2)C1)C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933080420 1018839602 /nfs/dbraw/zinc/83/96/02/1018839602.db2.gz DKSHLBAAWSNPJW-DHIUTWEWSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@@H](C2CCOCC2)C1)C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933080420 1018839613 /nfs/dbraw/zinc/83/96/13/1018839613.db2.gz DKSHLBAAWSNPJW-DHIUTWEWSA-N 1 3 378.601 3.654 20 0 GHADHO CCOc1cccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156919544 1019773624 /nfs/dbraw/zinc/77/36/24/1019773624.db2.gz UEEMDXRCBWPXBK-AVRDEDQJSA-N 1 3 395.547 3.633 20 0 GHADHO CCOc1cccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156919544 1019773644 /nfs/dbraw/zinc/77/36/44/1019773644.db2.gz UEEMDXRCBWPXBK-AVRDEDQJSA-N 1 3 395.547 3.633 20 0 GHADHO CSc1ccc(OC[C@@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000576696969 1020054309 /nfs/dbraw/zinc/05/43/09/1020054309.db2.gz XWTYTJASNUXZJT-FQEVSTJZSA-N 1 3 386.561 3.534 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](c2ccccc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000579275435 1020400319 /nfs/dbraw/zinc/40/03/19/1020400319.db2.gz XINXAMQXIATQDR-SDUSCBPUSA-N 1 3 393.575 3.703 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](c2ccccc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000579275435 1020400327 /nfs/dbraw/zinc/40/03/27/1020400327.db2.gz XINXAMQXIATQDR-SDUSCBPUSA-N 1 3 393.575 3.703 20 0 GHADHO O[C@@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439871 1020791316 /nfs/dbraw/zinc/79/13/16/1020791316.db2.gz YVVNJWSKWYBOAE-STAYPELNSA-N 1 3 376.544 3.996 20 0 GHADHO O[C@@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439871 1020791323 /nfs/dbraw/zinc/79/13/23/1020791323.db2.gz YVVNJWSKWYBOAE-STAYPELNSA-N 1 3 376.544 3.996 20 0 GHADHO COc1cccc2c1OCCC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000631619037 1020895395 /nfs/dbraw/zinc/89/53/95/1020895395.db2.gz XZHHEMHDSLBPDM-RBBKRZOGSA-N 1 3 396.531 3.655 20 0 GHADHO COc1cccc2c1OCCC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000631619037 1020895404 /nfs/dbraw/zinc/89/54/04/1020895404.db2.gz XZHHEMHDSLBPDM-RBBKRZOGSA-N 1 3 396.531 3.655 20 0 GHADHO CCC[N@@H+]1CCc2c(N)sc(Nc3cccc(CN4CCN(C)CC4)c3)c2C1 ZINC001204518068 1032944649 /nfs/dbraw/zinc/94/46/49/1032944649.db2.gz ODXSORWXWOBINC-UHFFFAOYSA-N 1 3 399.608 3.589 20 0 GHADHO CCC[N@H+]1CCc2c(N)sc(Nc3cccc(CN4CCN(C)CC4)c3)c2C1 ZINC001204518068 1032944655 /nfs/dbraw/zinc/94/46/55/1032944655.db2.gz ODXSORWXWOBINC-UHFFFAOYSA-N 1 3 399.608 3.589 20 0 GHADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000647814485 1021150426 /nfs/dbraw/zinc/15/04/26/1021150426.db2.gz PZYDMJPXMDAERQ-JOCHJYFZSA-N 1 3 383.561 3.560 20 0 GHADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000647814485 1021150430 /nfs/dbraw/zinc/15/04/30/1021150430.db2.gz PZYDMJPXMDAERQ-JOCHJYFZSA-N 1 3 383.561 3.560 20 0 GHADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000647814485 1021150432 /nfs/dbraw/zinc/15/04/32/1021150432.db2.gz PZYDMJPXMDAERQ-JOCHJYFZSA-N 1 3 383.561 3.560 20 0 GHADHO c1cn(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@H]4CCC[C@H]43)cn2)cn1 ZINC000834501693 1021228101 /nfs/dbraw/zinc/22/81/01/1021228101.db2.gz HPXLZQRCSMOFAF-VABKMULXSA-N 1 3 387.531 3.800 20 0 GHADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](C)c2cccc(Br)c2)C1 ZINC001204593398 1032988181 /nfs/dbraw/zinc/98/81/81/1032988181.db2.gz QWZJWGZHXHSNOV-VQIMIIECSA-N 1 3 383.374 3.985 20 0 GHADHO Cc1cc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)ccc1O ZINC001140577960 1021997550 /nfs/dbraw/zinc/99/75/50/1021997550.db2.gz SVFGKIQADJEDAF-JOCHJYFZSA-N 1 3 380.532 3.956 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccc(O)c(C)c1)CC2 ZINC001140577979 1021997618 /nfs/dbraw/zinc/99/76/18/1021997618.db2.gz TXRJUVCUQMIRNI-JOCHJYFZSA-N 1 3 395.547 3.599 20 0 GHADHO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2ncccc2CN2CCCC2)C1 ZINC001156472916 1033053046 /nfs/dbraw/zinc/05/30/46/1033053046.db2.gz RYPZJQNHYUIMGZ-HXUWFJFHSA-N 1 3 390.648 3.548 20 0 GHADHO Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000754670637 1022822931 /nfs/dbraw/zinc/82/29/31/1022822931.db2.gz XEPPVECMTSDMKI-MSOLQXFVSA-N 1 3 385.577 3.876 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccn3ccnc3c1)CC2 ZINC001141043618 1023373568 /nfs/dbraw/zinc/37/35/68/1023373568.db2.gz DZUKBZOSFHKTDY-QFIPXVFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccn3ccnc3c1)CC2 ZINC001141043618 1023373580 /nfs/dbraw/zinc/37/35/80/1023373580.db2.gz DZUKBZOSFHKTDY-QFIPXVFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccn3ccnc3c1)CC2 ZINC001141043617 1023373826 /nfs/dbraw/zinc/37/38/26/1023373826.db2.gz DZUKBZOSFHKTDY-JOCHJYFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccn3ccnc3c1)CC2 ZINC001141043617 1023373841 /nfs/dbraw/zinc/37/38/41/1023373841.db2.gz DZUKBZOSFHKTDY-JOCHJYFZSA-N 1 3 390.531 3.590 20 0 GHADHO Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc(Cl)n1 ZINC000830987464 1024288926 /nfs/dbraw/zinc/28/89/26/1024288926.db2.gz DRDAUGMSTCJNLZ-DLBZAZTESA-N 1 3 395.334 3.506 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3ccc(Oc4ccc(F)cc4)cc3)CC2)CC1 ZINC001141316316 1024520552 /nfs/dbraw/zinc/52/05/52/1024520552.db2.gz GVWOMWBANUAMDX-UHFFFAOYSA-N 1 3 383.511 3.830 20 0 GHADHO FC(F)(F)c1ccc(CN2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001205025803 1033217811 /nfs/dbraw/zinc/21/78/11/1033217811.db2.gz HHWOTLIHBGATMG-UHFFFAOYSA-N 1 3 381.486 3.603 20 0 GHADHO C[C@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCCN(C2CCC2)C1 ZINC000839011021 1025517374 /nfs/dbraw/zinc/51/73/74/1025517374.db2.gz LKYZYOJPQKYVLJ-DLBZAZTESA-N 1 3 377.573 3.629 20 0 GHADHO Cc1nc(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)cc(N(C)C)n1 ZINC001162050255 1025565239 /nfs/dbraw/zinc/56/52/39/1025565239.db2.gz XKTCJJAYXAIJRK-UHFFFAOYSA-N 1 3 393.457 3.647 20 0 GHADHO Cn1c2ccccc2c2cc(CN3CCN(CC4CC[NH+](C)CC4)CC3)ccc21 ZINC001138919948 1025585795 /nfs/dbraw/zinc/58/57/95/1025585795.db2.gz JTZOTDHAXJTALE-UHFFFAOYSA-N 1 3 390.575 3.791 20 0 GHADHO CC(C)[NH+]1CCN(Cc2ccc(-n3c4ccccc4nc3[C@@H](C)N)c(F)c2)CC1 ZINC001162777647 1025915738 /nfs/dbraw/zinc/91/57/38/1025915738.db2.gz DWXHAQJCCHLPMZ-QGZVFWFLSA-N 1 3 395.526 3.710 20 0 GHADHO COc1cc(O)ccc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001139142300 1025956777 /nfs/dbraw/zinc/95/67/77/1025956777.db2.gz RGACNNIWIYVWND-NRFANRHFSA-N 1 3 396.531 3.656 20 0 GHADHO COc1cc(O)ccc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001139142300 1025956785 /nfs/dbraw/zinc/95/67/85/1025956785.db2.gz RGACNNIWIYVWND-NRFANRHFSA-N 1 3 396.531 3.656 20 0 GHADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(OCc4cnc(Cl)s4)cc3)C[C@@H]2C1 ZINC001139301950 1026154788 /nfs/dbraw/zinc/15/47/88/1026154788.db2.gz KCXLNKHJSQHBLV-CVEARBPZSA-N 1 3 377.941 3.759 20 0 GHADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(OCc4cnc(Cl)s4)cc3)C[C@@H]2C1 ZINC001139301950 1026154793 /nfs/dbraw/zinc/15/47/93/1026154793.db2.gz KCXLNKHJSQHBLV-CVEARBPZSA-N 1 3 377.941 3.759 20 0 GHADHO COc1ccc(CN(c2ccc(CN(C)C3CC3)cn2)C2CCC([NH3+])CC2)cc1 ZINC001165197199 1026658842 /nfs/dbraw/zinc/65/88/42/1026658842.db2.gz AYABYDDNLWFEFM-UHFFFAOYSA-N 1 3 394.563 3.961 20 0 GHADHO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C(C)C)C2)c(C)c1 ZINC001203744927 1027567232 /nfs/dbraw/zinc/56/72/32/1027567232.db2.gz PWFUGEKWLGEGRH-GIWBLDEGSA-N 1 3 381.568 3.577 20 0 GHADHO Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C(C)C)C2)c(C)c1 ZINC001203744927 1027567239 /nfs/dbraw/zinc/56/72/39/1027567239.db2.gz PWFUGEKWLGEGRH-GIWBLDEGSA-N 1 3 381.568 3.577 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC001211236253 1027851635 /nfs/dbraw/zinc/85/16/35/1027851635.db2.gz DUDPRIHBQQFGDB-HXUWFJFHSA-N 1 3 392.613 3.791 20 0 GHADHO CCOC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142599242 1029128158 /nfs/dbraw/zinc/12/81/58/1029128158.db2.gz DVEDDMFNABZONT-XMMPIXPASA-N 1 3 378.516 3.961 20 0 GHADHO CCOC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142599242 1029128171 /nfs/dbraw/zinc/12/81/71/1029128171.db2.gz DVEDDMFNABZONT-XMMPIXPASA-N 1 3 378.516 3.961 20 0 GHADHO Cc1cc2oc(=O)cc(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)c2cc1C(C)C ZINC000842479245 1029315299 /nfs/dbraw/zinc/31/52/99/1029315299.db2.gz RCIKBEXJCXFWGW-QPPBQGQZSA-N 1 3 398.547 3.943 20 0 GHADHO Cn1c2ccc(F)cc2nc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842683310 1029489694 /nfs/dbraw/zinc/48/96/94/1029489694.db2.gz JXDBSUKDFAYESR-LJQANCHMSA-N 1 3 378.495 3.999 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccnc3[nH]ccc31)CC2 ZINC001142872419 1029617939 /nfs/dbraw/zinc/61/79/39/1029617939.db2.gz ATDDZXJOOGNDGQ-SFHVURJKSA-N 1 3 396.560 3.880 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc3nccn3c1)CC2 ZINC001143020884 1029787896 /nfs/dbraw/zinc/78/78/96/1029787896.db2.gz FFHPUIZFWIRFFS-QFIPXVFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc3nccn3c1)CC2 ZINC001143020884 1029787901 /nfs/dbraw/zinc/78/79/01/1029787901.db2.gz FFHPUIZFWIRFFS-QFIPXVFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[C@H](CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC001222009823 1029930354 /nfs/dbraw/zinc/93/03/54/1029930354.db2.gz NQFPEPSKEMEBKG-IRLDBZIGSA-N 1 3 386.584 3.777 20 0 GHADHO CN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000843353223 1029932572 /nfs/dbraw/zinc/93/25/72/1029932572.db2.gz VEQHWAASIDOSPC-UHFFFAOYSA-N 1 3 397.363 3.864 20 0 GHADHO FC(F)(F)c1cccc(-n2cc(CN3CCC4(CCC[NH2+]C4)CC3)cn2)c1 ZINC001222457147 1030143436 /nfs/dbraw/zinc/14/34/36/1030143436.db2.gz BLGJEUMTCPLLBE-UHFFFAOYSA-N 1 3 378.442 3.857 20 0 GHADHO OCCc1ccc(CN2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222590768 1030216190 /nfs/dbraw/zinc/21/61/90/1030216190.db2.gz NACPZULPIXMJBM-DEOSSOPVSA-N 1 3 394.559 3.525 20 0 GHADHO OCCc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)cc1 ZINC001222590768 1030216200 /nfs/dbraw/zinc/21/62/00/1030216200.db2.gz NACPZULPIXMJBM-DEOSSOPVSA-N 1 3 394.559 3.525 20 0 GHADHO OCCc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)cc1 ZINC001222590768 1030216214 /nfs/dbraw/zinc/21/62/14/1030216214.db2.gz NACPZULPIXMJBM-DEOSSOPVSA-N 1 3 394.559 3.525 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)N2Cc2ccc3c(c2)NCC3)cc1 ZINC001222595503 1030222481 /nfs/dbraw/zinc/22/24/81/1030222481.db2.gz BPPBRMJXIUXXCC-HSZRJFAPSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@@H+]2Cc2ccc3c(c2)NCC3)cc1 ZINC001222595503 1030222494 /nfs/dbraw/zinc/22/24/94/1030222494.db2.gz BPPBRMJXIUXXCC-HSZRJFAPSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@H+]2Cc2ccc3c(c2)NCC3)cc1 ZINC001222595503 1030222505 /nfs/dbraw/zinc/22/25/05/1030222505.db2.gz BPPBRMJXIUXXCC-HSZRJFAPSA-N 1 3 391.559 3.958 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)CC(C)C ZINC001223089971 1030435105 /nfs/dbraw/zinc/43/51/05/1030435105.db2.gz UBUHKDKDFNNSEP-FGZHOGPDSA-N 1 3 388.600 3.707 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@@H]6CCC[NH2+]C6)cc54)O[C@H](CN3C1)C2 ZINC001217965687 1030693959 /nfs/dbraw/zinc/69/39/59/1030693959.db2.gz SETJSIMBQUPVMX-WUZVVHMOSA-N 1 3 393.531 3.680 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001224898670 1031169953 /nfs/dbraw/zinc/16/99/53/1031169953.db2.gz KGSCCJHOXPNSOR-ILWGZMRPSA-N 1 3 386.584 3.776 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001224898670 1031169960 /nfs/dbraw/zinc/16/99/60/1031169960.db2.gz KGSCCJHOXPNSOR-ILWGZMRPSA-N 1 3 386.584 3.776 20 0 GHADHO CCc1cc(Oc2cccc(NC(=O)[C@H](N)C3CC[NH2+]CC3)c2)ccc1Cl ZINC001219230484 1031315166 /nfs/dbraw/zinc/31/51/66/1031315166.db2.gz LTJDAIISZIIVFO-HXUWFJFHSA-N 1 3 387.911 3.960 20 0 GHADHO O=C(Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2)c1ccc2c(c1)CNC2 ZINC001219488865 1031455147 /nfs/dbraw/zinc/45/51/47/1031455147.db2.gz ABFFYBDLMGSCIH-QHCPKHFHSA-N 1 3 375.516 3.885 20 0 GHADHO [NH3+][C@@H](CNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1)c1ccccc1 ZINC001220501872 1031967064 /nfs/dbraw/zinc/96/70/64/1031967064.db2.gz VFNCGKSLYCEGOP-QHCPKHFHSA-N 1 3 385.511 3.524 20 0 GHADHO CC(C)[C@H](CNC(=O)N1CCN(C2CCC(C)CC2)CC1)[NH+]1CCC(C)CC1 ZINC001220611457 1032011764 /nfs/dbraw/zinc/01/17/64/1032011764.db2.gz SUDPCSZDOAYSNF-VTLFHKLASA-N 1 3 392.632 3.649 20 0 GHADHO CC[NH+]1CCC(CN(CCOC)Cc2cc(Br)cs2)CC1 ZINC001205668261 1033520360 /nfs/dbraw/zinc/52/03/60/1033520360.db2.gz WMIIGIWIZSSRCI-UHFFFAOYSA-N 1 3 375.376 3.691 20 0 GHADHO C[NH+]1CCC(CN2CCN(c3nc(Cl)ccc3-c3ccccc3)CC2)CC1 ZINC001157838456 1033789759 /nfs/dbraw/zinc/78/97/59/1033789759.db2.gz YKTTUWPSCQGQHZ-UHFFFAOYSA-N 1 3 384.955 3.866 20 0 GHADHO C[NH+]1CCC(CN2CCN(c3cc(Cl)nc4c(F)ccc(F)c34)CC2)CC1 ZINC001157847947 1033793393 /nfs/dbraw/zinc/79/33/93/1033793393.db2.gz JWLOHXVDYIESBV-UHFFFAOYSA-N 1 3 394.897 3.630 20 0 GHADHO CC(C)N(Cc1ccc(-n2cccn2)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC001206599354 1033920897 /nfs/dbraw/zinc/92/08/97/1033920897.db2.gz RTXFZZMCFFLRBL-KRWDZBQOSA-N 1 3 391.357 3.987 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001207244561 1034206008 /nfs/dbraw/zinc/20/60/08/1034206008.db2.gz DMJUDXOIEXGCFB-UXHICEINSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001207244561 1034206013 /nfs/dbraw/zinc/20/60/13/1034206013.db2.gz DMJUDXOIEXGCFB-UXHICEINSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CN2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001207244561 1034206026 /nfs/dbraw/zinc/20/60/26/1034206026.db2.gz DMJUDXOIEXGCFB-UXHICEINSA-N 1 3 379.589 3.974 20 0 GHADHO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@@H+](CC(C)(C)CN(C)C)C1 ZINC001207279642 1034232750 /nfs/dbraw/zinc/23/27/50/1034232750.db2.gz NLUZBLOBFXYEGO-XMMPIXPASA-N 1 3 394.563 3.514 20 0 GHADHO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](CC(C)(C)CN(C)C)C1 ZINC001207279642 1034232764 /nfs/dbraw/zinc/23/27/64/1034232764.db2.gz NLUZBLOBFXYEGO-XMMPIXPASA-N 1 3 394.563 3.514 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289081 1034239368 /nfs/dbraw/zinc/23/93/68/1034239368.db2.gz GUQYFOSHGDOETB-SZPZYZBQSA-N 1 3 399.579 3.982 20 0 GHADHO c1ccc(C[NH+]2CCC(CN3CCN(CCOc4ccccc4)CC3)CC2)cc1 ZINC001207291765 1034243892 /nfs/dbraw/zinc/24/38/92/1034243892.db2.gz XVJXAPDOMLFTDF-UHFFFAOYSA-N 1 3 393.575 3.595 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nnc(Cl)cc3Cl)c3ccccc23)CC1 ZINC001159460036 1034606076 /nfs/dbraw/zinc/60/60/76/1034606076.db2.gz LQRREOBGPZOOTK-UHFFFAOYSA-N 1 3 390.318 3.693 20 0 GHADHO CCCC1(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207838447 1034617178 /nfs/dbraw/zinc/61/71/78/1034617178.db2.gz YLAPCBBBGLJJRU-IPMKNSEASA-N 1 3 379.589 3.734 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001231639968 1034796585 /nfs/dbraw/zinc/79/65/85/1034796585.db2.gz DAPOGKONVZXCBO-HSZRJFAPSA-N 1 3 394.563 3.542 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001231639968 1034796601 /nfs/dbraw/zinc/79/66/01/1034796601.db2.gz DAPOGKONVZXCBO-HSZRJFAPSA-N 1 3 394.563 3.542 20 0 GHADHO COCc1ccc(CN2CCC3(CC[N@H+](Cc4cccc(OC)c4)C3)CC2)o1 ZINC001231690322 1034838785 /nfs/dbraw/zinc/83/87/85/1034838785.db2.gz AEVYFUFHKTXJSE-UHFFFAOYSA-N 1 3 384.520 3.923 20 0 GHADHO COCc1ccc(CN2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)o1 ZINC001231690322 1034838795 /nfs/dbraw/zinc/83/87/95/1034838795.db2.gz AEVYFUFHKTXJSE-UHFFFAOYSA-N 1 3 384.520 3.923 20 0 GHADHO CN1CCN(Cc2cccc(Nc3ccc(C[C@H]4CCC[NH2+]C4)cc3)c2)CC1 ZINC001160265144 1034923188 /nfs/dbraw/zinc/92/31/88/1034923188.db2.gz KGHYMWFHTQGKTE-OAQYLSRUSA-N 1 3 378.564 3.720 20 0 GHADHO c1ccc(C[N@H+]2CCCC[C@H]2CN2CC3(C2)CCN(Cc2cccnc2)C3)cc1 ZINC001208585434 1034943015 /nfs/dbraw/zinc/94/30/15/1034943015.db2.gz LRIQVFMQVCEMLT-DEOSSOPVSA-N 1 3 390.575 3.644 20 0 GHADHO c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC3(C2)CCN(Cc2cccnc2)C3)cc1 ZINC001208585434 1034943017 /nfs/dbraw/zinc/94/30/17/1034943017.db2.gz LRIQVFMQVCEMLT-DEOSSOPVSA-N 1 3 390.575 3.644 20 0 GHADHO CN(CCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCC[NH+](C)C ZINC001208817590 1035037365 /nfs/dbraw/zinc/03/73/65/1035037365.db2.gz HCSJCXSECNAVFV-UHFFFAOYSA-N 1 3 387.565 3.822 20 0 GHADHO [NH3+]Cc1cn(-c2cc(Cl)nc3c2CCNC3)c2cc(Br)ccc12 ZINC001160758295 1035060176 /nfs/dbraw/zinc/06/01/76/1035060176.db2.gz KYWQPBXDLHHJAF-UHFFFAOYSA-N 1 3 391.700 3.546 20 0 GHADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3C[C@H]3CCC[N@H+](Cc4ccccc4)C3)O2)n1 ZINC001208935144 1035100969 /nfs/dbraw/zinc/10/09/69/1035100969.db2.gz JJDBVKGBPYCMCT-DXBBTUNJSA-N 1 3 396.535 3.585 20 0 GHADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)O2)n1 ZINC001208935144 1035100972 /nfs/dbraw/zinc/10/09/72/1035100972.db2.gz JJDBVKGBPYCMCT-DXBBTUNJSA-N 1 3 396.535 3.585 20 0 GHADHO CN(CCCNC(=O)OC(C)(C)C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936701 1035102953 /nfs/dbraw/zinc/10/29/53/1035102953.db2.gz OYKYZXQXQCIZOC-HXUWFJFHSA-N 1 3 375.557 3.745 20 0 GHADHO CN(CCCNC(=O)OC(C)(C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936701 1035102958 /nfs/dbraw/zinc/10/29/58/1035102958.db2.gz OYKYZXQXQCIZOC-HXUWFJFHSA-N 1 3 375.557 3.745 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)c2cccc([C@@H](C)[NH3+])c2)cc1 ZINC001160958357 1035105495 /nfs/dbraw/zinc/10/54/95/1035105495.db2.gz VHYLIEDIJGCBKB-XMSQKQJNSA-N 1 3 395.547 3.842 20 0 GHADHO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001208944507 1035114910 /nfs/dbraw/zinc/11/49/10/1035114910.db2.gz XAJCFBGCPFXXOI-JOCHJYFZSA-N 1 3 392.543 3.672 20 0 GHADHO CCOC(=O)Cc1ccc2c(c1)C[N@H+](C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001208944507 1035114914 /nfs/dbraw/zinc/11/49/14/1035114914.db2.gz XAJCFBGCPFXXOI-JOCHJYFZSA-N 1 3 392.543 3.672 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c1 ZINC001232148716 1035126500 /nfs/dbraw/zinc/12/65/00/1035126500.db2.gz JUWVTKVPKYMQID-OFNKIYASSA-N 1 3 383.511 3.963 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c1 ZINC001232148716 1035126504 /nfs/dbraw/zinc/12/65/04/1035126504.db2.gz JUWVTKVPKYMQID-OFNKIYASSA-N 1 3 383.511 3.963 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c1 ZINC001232148716 1035126507 /nfs/dbraw/zinc/12/65/07/1035126507.db2.gz JUWVTKVPKYMQID-OFNKIYASSA-N 1 3 383.511 3.963 20 0 GHADHO O=C(OCCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC001209045045 1035156945 /nfs/dbraw/zinc/15/69/45/1035156945.db2.gz KSCVHCXAJHSDLC-UHFFFAOYSA-N 1 3 378.516 3.832 20 0 GHADHO CN(C)CCN(C(=O)C1CCC(c2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC001161445056 1035232648 /nfs/dbraw/zinc/23/26/48/1035232648.db2.gz MRJYFOVDEBAZAD-XTXLOEGASA-N 1 3 391.987 3.756 20 0 GHADHO Cc1ccc2c(CN3CC[C@]4(C3)C[N@H+](C)C[C@@H]4COCC3CC3)cccc2n1 ZINC001248560409 1035957511 /nfs/dbraw/zinc/95/75/11/1035957511.db2.gz RZQBIPKLOCXXDV-ZJSXRUAMSA-N 1 3 379.548 3.724 20 0 GHADHO Cc1ccc2c(CN3CC[C@]4(C3)C[N@@H+](C)C[C@@H]4COCC3CC3)cccc2n1 ZINC001248560409 1035957514 /nfs/dbraw/zinc/95/75/14/1035957514.db2.gz RZQBIPKLOCXXDV-ZJSXRUAMSA-N 1 3 379.548 3.724 20 0 GHADHO Cn1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)c2c1ccnc2Cl ZINC001248835181 1036191147 /nfs/dbraw/zinc/19/11/47/1036191147.db2.gz WEYZNZTWTVAJDW-UHFFFAOYSA-N 1 3 390.959 3.551 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246280812 1037272866 /nfs/dbraw/zinc/27/28/66/1037272866.db2.gz LKXRILBZDHVCDR-HZKQSDJQSA-N 1 3 384.605 3.856 20 0 GHADHO CC[C@@H]1C[C@H](NC[C@H]2C[C@]2(C(=O)N(CC)CC)c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246288536 1037279436 /nfs/dbraw/zinc/27/94/36/1037279436.db2.gz PPZKLUYYWFUDJF-NTYLBUJVSA-N 1 3 385.596 3.712 20 0 GHADHO O=C1CCNC[C@@H]1NC1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001246293212 1037280873 /nfs/dbraw/zinc/28/08/73/1037280873.db2.gz PEYDNKURUYJTRM-VHYCJAOWSA-N 1 3 391.559 3.521 20 0 GHADHO COc1ccc(CC2([NH2+][C@H]3CCc4c(cccc4OC)C3)CCNCC2)cc1 ZINC001246374076 1037330591 /nfs/dbraw/zinc/33/05/91/1037330591.db2.gz FGTHCMJNOSSPAM-FQEVSTJZSA-N 1 3 380.532 3.516 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2(Cc3ccccc3F)CCNCC2)cc1 ZINC001246380478 1037338505 /nfs/dbraw/zinc/33/85/05/1037338505.db2.gz HNKIJNGTOFKKNZ-GOSISDBHSA-N 1 3 398.522 3.888 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246385737 1037346056 /nfs/dbraw/zinc/34/60/56/1037346056.db2.gz DHROUHUSFLEHOE-PKOBYXMFSA-N 1 3 378.944 3.716 20 0 GHADHO C[C@H]1C[C@@H](NC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246392206 1037351367 /nfs/dbraw/zinc/35/13/67/1037351367.db2.gz RALCQIZAUGFJKT-WMZHIEFXSA-N 1 3 381.539 3.743 20 0 GHADHO CCCC[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(F)cc3)CC2)CCN1 ZINC001246400744 1037358509 /nfs/dbraw/zinc/35/85/09/1037358509.db2.gz GLUVEYZXKJFEPK-XSDIEEQYSA-N 1 3 375.532 3.767 20 0 GHADHO COc1ccc(CC[C@@H](C)[NH2+]C2(Cc3ccccc3OC)CCNCC2)cc1 ZINC001246424275 1037382819 /nfs/dbraw/zinc/38/28/19/1037382819.db2.gz FGUQNCUNPOIQIW-LJQANCHMSA-N 1 3 382.548 3.979 20 0 GHADHO CCOC(=O)N1CCC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)CC1 ZINC001246426400 1037384766 /nfs/dbraw/zinc/38/47/66/1037384766.db2.gz AGTQFYMKGNGTPJ-IBGZPJMESA-N 1 3 393.959 3.605 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)CC1 ZINC001246426401 1037385354 /nfs/dbraw/zinc/38/53/54/1037385354.db2.gz AGTQFYMKGNGTPJ-LJQANCHMSA-N 1 3 393.959 3.605 20 0 GHADHO FC(F)(F)c1cccc(C2([NH2+][C@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246429010 1037388549 /nfs/dbraw/zinc/38/85/49/1037388549.db2.gz FXSDSQIUMLEJKE-LSDHHAIUSA-N 1 3 395.391 3.557 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246435187 1037397819 /nfs/dbraw/zinc/39/78/19/1037397819.db2.gz GHLZSLFADHAGPT-VQIMIIECSA-N 1 3 378.944 3.716 20 0 GHADHO CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CCN1 ZINC001246441094 1037401634 /nfs/dbraw/zinc/40/16/34/1037401634.db2.gz KGFOSIPJWMKEGY-ROUUACIJSA-N 1 3 395.385 3.909 20 0 GHADHO C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CCN1 ZINC001246442818 1037406162 /nfs/dbraw/zinc/40/61/62/1037406162.db2.gz UUGBGAMNGLQOKW-DOTOQJQBSA-N 1 3 381.358 3.519 20 0 GHADHO Fc1ccc(N2CCC([NH2+]C3(Cc4cccc(F)c4)CCNCC3)CC2)cc1 ZINC001246469956 1037422182 /nfs/dbraw/zinc/42/21/82/1037422182.db2.gz XXVUVEUSGYXWGY-UHFFFAOYSA-N 1 3 385.502 3.888 20 0 GHADHO CCCC[C@@H](C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246496802 1037441976 /nfs/dbraw/zinc/44/19/76/1037441976.db2.gz RCVOWHAMBHXAIW-APWZRJJASA-N 1 3 387.524 3.706 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@@H+]2CC[C@](C)(N)C2)CC1 ZINC001246527561 1037461565 /nfs/dbraw/zinc/46/15/65/1037461565.db2.gz GMZLMAVJVXNBSW-XBMUEBEBSA-N 1 3 397.357 3.631 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CC[C@](C)(N)C2)CC1 ZINC001246527561 1037461589 /nfs/dbraw/zinc/46/15/89/1037461589.db2.gz GMZLMAVJVXNBSW-XBMUEBEBSA-N 1 3 397.357 3.631 20 0 GHADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+]([C@H]3CCN[C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753322 1037593206 /nfs/dbraw/zinc/59/32/06/1037593206.db2.gz KMXRWFOOYYMHGF-XODKDNOYSA-N 1 3 378.564 3.825 20 0 GHADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+]([C@H]3CCN[C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753322 1037593224 /nfs/dbraw/zinc/59/32/24/1037593224.db2.gz KMXRWFOOYYMHGF-XODKDNOYSA-N 1 3 378.564 3.825 20 0 GHADHO CC[C@@H]1C[C@@H](N2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246755235 1037596348 /nfs/dbraw/zinc/59/63/48/1037596348.db2.gz HYVUSDMMGVETEJ-NYUBLWNDSA-N 1 3 375.582 3.795 20 0 GHADHO CC(C)(C)[C@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246761667 1037604233 /nfs/dbraw/zinc/60/42/33/1037604233.db2.gz ULEYXXBWRHSNSO-LLIHQYLTSA-N 1 3 387.543 3.889 20 0 GHADHO CC(C)(C)[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246761667 1037604250 /nfs/dbraw/zinc/60/42/50/1037604250.db2.gz ULEYXXBWRHSNSO-LLIHQYLTSA-N 1 3 387.543 3.889 20 0 GHADHO Brc1cccc([C@@H]2CN(C3CCC4(CC[NH2+]CC4)CC3)CCN2)c1 ZINC001246808834 1037641744 /nfs/dbraw/zinc/64/17/44/1037641744.db2.gz ZITABPYXXUZLAA-IBGZPJMESA-N 1 3 392.385 3.708 20 0 GHADHO c1ccc(C[C@@H]2C[C@H](N3CCC4(CC3)OCCc3ccccc34)CC[NH2+]2)cc1 ZINC001246836230 1037665546 /nfs/dbraw/zinc/66/55/46/1037665546.db2.gz NJPGKCMVMCASGD-DHIUTWEWSA-N 1 3 376.544 3.914 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([NH+]3CCC4(CC3)OCCc3ccccc34)CCN2)cc1 ZINC001246836230 1037665557 /nfs/dbraw/zinc/66/55/57/1037665557.db2.gz NJPGKCMVMCASGD-DHIUTWEWSA-N 1 3 376.544 3.914 20 0 GHADHO CN(Cc1c(F)cccc1Oc1ccc(Cl)cc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246862142 1037683458 /nfs/dbraw/zinc/68/34/58/1037683458.db2.gz VMWBQTKGAWAISL-INIZCTEOSA-N 1 3 389.902 3.797 20 0 GHADHO COC(=O)C[C@H](C)N(Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246893259 1037709717 /nfs/dbraw/zinc/70/97/17/1037709717.db2.gz VIVXFFONSWMKOM-AJSBUHFISA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246893259 1037709738 /nfs/dbraw/zinc/70/97/38/1037709738.db2.gz VIVXFFONSWMKOM-AJSBUHFISA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246893259 1037709753 /nfs/dbraw/zinc/70/97/53/1037709753.db2.gz VIVXFFONSWMKOM-AJSBUHFISA-N 1 3 380.532 3.804 20 0 GHADHO Brc1ccc2c(c1)CC1(CCN([C@H]3CC[NH2+]C4(CCC4)C3)CC1)O2 ZINC001246922414 1037728667 /nfs/dbraw/zinc/72/86/67/1037728667.db2.gz LKWRJGSVCGOLFK-KRWDZBQOSA-N 1 3 391.353 3.893 20 0 GHADHO COc1ccc(C[N@H+](C2CCNCC2)C2CCN(c3ccccc3)CC2)cc1 ZINC001246950320 1037754034 /nfs/dbraw/zinc/75/40/34/1037754034.db2.gz GRXBWVMHRYLIMG-UHFFFAOYSA-N 1 3 379.548 3.918 20 0 GHADHO COc1ccc(C[N@@H+](C2CCNCC2)C2CCN(c3ccccc3)CC2)cc1 ZINC001246950320 1037754054 /nfs/dbraw/zinc/75/40/54/1037754054.db2.gz GRXBWVMHRYLIMG-UHFFFAOYSA-N 1 3 379.548 3.918 20 0 GHADHO COc1ccc(CN(C2CC[NH2+]CC2)C2CCN(c3ccccc3)CC2)cc1 ZINC001246950320 1037754082 /nfs/dbraw/zinc/75/40/82/1037754082.db2.gz GRXBWVMHRYLIMG-UHFFFAOYSA-N 1 3 379.548 3.918 20 0 GHADHO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246998737 1037824481 /nfs/dbraw/zinc/82/44/81/1037824481.db2.gz ZSSHXVKGSKLCLM-ZRBLBEILSA-N 1 3 378.516 3.973 20 0 GHADHO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246998737 1037824494 /nfs/dbraw/zinc/82/44/94/1037824494.db2.gz ZSSHXVKGSKLCLM-ZRBLBEILSA-N 1 3 378.516 3.973 20 0 GHADHO C[C@H]1CC[C@@H](N2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)C[NH2+]1 ZINC001246998729 1037824930 /nfs/dbraw/zinc/82/49/30/1037824930.db2.gz ZRVAWPXAVVSXIG-NZQKXSOJSA-N 1 3 375.560 3.924 20 0 GHADHO CC(C)(O)c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232834514 1038588066 /nfs/dbraw/zinc/58/80/66/1038588066.db2.gz VPXBCKZOWKNJJX-VXKWHMMOSA-N 1 3 379.548 3.653 20 0 GHADHO CC(C)(O)c1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232834514 1038588070 /nfs/dbraw/zinc/58/80/70/1038588070.db2.gz VPXBCKZOWKNJJX-VXKWHMMOSA-N 1 3 379.548 3.653 20 0 GHADHO CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](C)c1cc2ccccc2o1 ZINC001252923350 1039262145 /nfs/dbraw/zinc/26/21/45/1039262145.db2.gz LJEILWRWCWSRFA-ZWKOTPCHSA-N 1 3 388.556 3.797 20 0 GHADHO CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H](C)c1cc2ccccc2o1 ZINC001252923350 1039262158 /nfs/dbraw/zinc/26/21/58/1039262158.db2.gz LJEILWRWCWSRFA-ZWKOTPCHSA-N 1 3 388.556 3.797 20 0 GHADHO COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462378809 1070212863 /nfs/dbraw/zinc/21/28/63/1070212863.db2.gz FBVHVONHBVMWQX-QKDPSFTKSA-N 1 3 394.600 3.902 20 0 GHADHO Cc1ccc(O[C@@H]2CCC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)cc1 ZINC001254038112 1039969023 /nfs/dbraw/zinc/96/90/23/1039969023.db2.gz YSHNYGXZVFLESJ-XMMPIXPASA-N 1 3 394.559 3.865 20 0 GHADHO Cc1ccc(O[C@@H]2CCC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)cc1 ZINC001254038112 1039969026 /nfs/dbraw/zinc/96/90/26/1039969026.db2.gz YSHNYGXZVFLESJ-XMMPIXPASA-N 1 3 394.559 3.865 20 0 GHADHO COc1cccc([C@H]2CCC[N@@H+]2CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254040147 1039970179 /nfs/dbraw/zinc/97/01/79/1039970179.db2.gz QFHPXKUXQMVGPX-HSZRJFAPSA-N 1 3 380.532 3.859 20 0 GHADHO COc1cccc([C@H]2CCC[N@H+]2CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254040147 1039970185 /nfs/dbraw/zinc/97/01/85/1039970185.db2.gz QFHPXKUXQMVGPX-HSZRJFAPSA-N 1 3 380.532 3.859 20 0 GHADHO OC1(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040106 1039970535 /nfs/dbraw/zinc/97/05/35/1039970535.db2.gz OEXHDNMCULOTIY-DEOSSOPVSA-N 1 3 394.559 3.695 20 0 GHADHO OC1(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040106 1039970538 /nfs/dbraw/zinc/97/05/38/1039970538.db2.gz OEXHDNMCULOTIY-DEOSSOPVSA-N 1 3 394.559 3.695 20 0 GHADHO COc1ccc([C@@H](C)NCc2c(C)c(C)n[nH]c2=O)cc1C[NH+]1CCCCC1 ZINC001254145142 1040007966 /nfs/dbraw/zinc/00/79/66/1040007966.db2.gz OPISWAGZNKNCLN-QGZVFWFLSA-N 1 3 384.524 3.644 20 0 GHADHO C[NH+]1CCC(C2CCN([C@@H]3Cc4ccc(Br)cc4C3)CC2)CC1 ZINC001254281188 1040128579 /nfs/dbraw/zinc/12/85/79/1040128579.db2.gz MDROXVPDEYOBQV-HXUWFJFHSA-N 1 3 377.370 3.970 20 0 GHADHO FC(F)(F)c1cccc(-c2ccc(CN3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cn2)c1 ZINC001235039801 1040534283 /nfs/dbraw/zinc/53/42/83/1040534283.db2.gz IHVPXWVORYZPIR-YLJYHZDGSA-N 1 3 391.437 3.578 20 0 GHADHO Cc1ccc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)c(Br)n1 ZINC001235088271 1040578565 /nfs/dbraw/zinc/57/85/65/1040578565.db2.gz GOPKCFONBDUDOI-UHFFFAOYSA-N 1 3 386.337 3.790 20 0 GHADHO Cc1c(I)cccc1CN1CCC2(CC[NH2+]CC2)CC1 ZINC001235132443 1040625131 /nfs/dbraw/zinc/62/51/31/1040625131.db2.gz JQUSOQOCKHTGKG-UHFFFAOYSA-N 1 3 384.305 3.565 20 0 GHADHO Cc1ccc(CN2CCCC[C@H]2C2CC[NH2+]CC2)cc1I ZINC001235153980 1040645739 /nfs/dbraw/zinc/64/57/39/1040645739.db2.gz GTSGNMJFIBECFE-SFHVURJKSA-N 1 3 398.332 3.954 20 0 GHADHO COc1ccc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)c1[O-] ZINC001235162449 1040654039 /nfs/dbraw/zinc/65/40/39/1040654039.db2.gz VPMXZQWEBVALFG-HNNXBMFYSA-N 1 3 383.330 3.517 20 0 GHADHO COc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)c1[O-] ZINC001235162449 1040654045 /nfs/dbraw/zinc/65/40/45/1040654045.db2.gz VPMXZQWEBVALFG-HNNXBMFYSA-N 1 3 383.330 3.517 20 0 GHADHO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001462481680 1070290486 /nfs/dbraw/zinc/29/04/86/1070290486.db2.gz OYBRPQWTHOZJFB-HOJAQTOUSA-N 1 3 379.589 3.876 20 0 GHADHO C[NH+]1CCC(C2CCN(Cc3cnc4cc(Br)ccn34)CC2)CC1 ZINC001235286029 1040757483 /nfs/dbraw/zinc/75/74/83/1040757483.db2.gz ORNHCVCCNAYVMS-UHFFFAOYSA-N 1 3 391.357 3.651 20 0 GHADHO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc(OC)c1O ZINC001255130968 1040826068 /nfs/dbraw/zinc/82/60/68/1040826068.db2.gz KZLVCCISJFIDCP-OWZKRDHZSA-N 1 3 382.504 3.695 20 0 GHADHO C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136432 1040840006 /nfs/dbraw/zinc/84/00/06/1040840006.db2.gz LBQBPHYPBHPYOG-LFZDHENXSA-N 1 3 382.470 3.817 20 0 GHADHO C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136432 1040840019 /nfs/dbraw/zinc/84/00/19/1040840019.db2.gz LBQBPHYPBHPYOG-LFZDHENXSA-N 1 3 382.470 3.817 20 0 GHADHO Cc1nccn1-c1ccccc1CN1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369366 1040869204 /nfs/dbraw/zinc/86/92/04/1040869204.db2.gz MGAYELBKDMWCJC-ILBGXUMGSA-N 1 3 386.543 3.934 20 0 GHADHO COC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Cc2ccccc21 ZINC001255151789 1040875410 /nfs/dbraw/zinc/87/54/10/1040875410.db2.gz YGQVVNLSQVPNQQ-KHUIQGCPSA-N 1 3 390.527 3.954 20 0 GHADHO COC(=O)[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Cc2ccccc21 ZINC001255151789 1040875426 /nfs/dbraw/zinc/87/54/26/1040875426.db2.gz YGQVVNLSQVPNQQ-KHUIQGCPSA-N 1 3 390.527 3.954 20 0 GHADHO c1ccc([C@@]23CC[NH2+]C[C@@H]2CN(Cc2ccc(-c4cncnc4)cc2)CC3)cc1 ZINC001235375176 1040886181 /nfs/dbraw/zinc/88/61/81/1040886181.db2.gz ZARDHNKHDIHLCY-RPBOFIJWSA-N 1 3 384.527 3.897 20 0 GHADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C(F)(F)F)c1OC ZINC001235429605 1040930879 /nfs/dbraw/zinc/93/08/79/1040930879.db2.gz USPKPPRFBKIDNG-HUUCEWRRSA-N 1 3 386.458 3.934 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H](N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001255352266 1040957485 /nfs/dbraw/zinc/95/74/85/1040957485.db2.gz JULVDERQQBNGNP-VIRXGOPMSA-N 1 3 390.527 3.685 20 0 GHADHO O=C1CC[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@H](c2ccccc2)N1 ZINC001255389676 1040978629 /nfs/dbraw/zinc/97/86/29/1040978629.db2.gz PQVLKASNCAKFNW-GPXNEJASSA-N 1 3 377.532 3.651 20 0 GHADHO O=C1CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@H](c2ccccc2)N1 ZINC001255389676 1040978632 /nfs/dbraw/zinc/97/86/32/1040978632.db2.gz PQVLKASNCAKFNW-GPXNEJASSA-N 1 3 377.532 3.651 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400575 1040986898 /nfs/dbraw/zinc/98/68/98/1040986898.db2.gz MGBYANCEOFSJDO-BDTNDASRSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400575 1040986899 /nfs/dbraw/zinc/98/68/99/1040986899.db2.gz MGBYANCEOFSJDO-BDTNDASRSA-N 1 3 399.579 3.982 20 0 GHADHO O=C(NC1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1)C1CCCC1 ZINC001255405442 1040993031 /nfs/dbraw/zinc/99/30/31/1040993031.db2.gz NLOYWDROUYHJGM-HSZRJFAPSA-N 1 3 383.580 3.812 20 0 GHADHO O=C(NC1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1)C1CCCC1 ZINC001255405442 1040993034 /nfs/dbraw/zinc/99/30/34/1040993034.db2.gz NLOYWDROUYHJGM-HSZRJFAPSA-N 1 3 383.580 3.812 20 0 GHADHO Cn1cc(CN2CCCC23CC[NH+](C2CCC(C(F)(F)F)CC2)CC3)cn1 ZINC001255514785 1041103815 /nfs/dbraw/zinc/10/38/15/1041103815.db2.gz HCYBVXHFURXJQY-UHFFFAOYSA-N 1 3 384.490 3.972 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CCOC(C)(C)C1)CC2 ZINC001255543578 1041121266 /nfs/dbraw/zinc/12/12/66/1041121266.db2.gz HBOPAOAWUAPJAI-ROUUACIJSA-N 1 3 378.582 3.761 20 0 GHADHO Clc1cccc(OC2CCN(Cc3cccc(CN4CC[NH2+]CC4)c3)CC2)c1 ZINC001235688882 1041161648 /nfs/dbraw/zinc/16/16/48/1041161648.db2.gz URWDKRJVYYMBSZ-UHFFFAOYSA-N 1 3 399.966 3.789 20 0 GHADHO [NH3+]C12CC(CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)(C1)C2 ZINC001235694370 1041169695 /nfs/dbraw/zinc/16/96/95/1041169695.db2.gz DGKDRSLZHFMKDM-UHFFFAOYSA-N 1 3 383.486 3.553 20 0 GHADHO COCCCN(Cc1c[nH]c2cccc(Br)c12)C1CC[NH2+]CC1 ZINC001235936576 1041440836 /nfs/dbraw/zinc/44/08/36/1041440836.db2.gz CZTMCBNFTLMDPK-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO COCCC[N@H+](Cc1c[nH]c2cccc(Br)c12)C1CCNCC1 ZINC001235936576 1041440844 /nfs/dbraw/zinc/44/08/44/1041440844.db2.gz CZTMCBNFTLMDPK-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO COCCC[N@@H+](Cc1c[nH]c2cccc(Br)c12)C1CCNCC1 ZINC001235936576 1041440850 /nfs/dbraw/zinc/44/08/50/1041440850.db2.gz CZTMCBNFTLMDPK-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO CCOC(=O)N1CC[C@H](N2CCC3(CCC[N@H+](Cc4ccc(C)cc4)C3)CC2)C1 ZINC001256033302 1041485194 /nfs/dbraw/zinc/48/51/94/1041485194.db2.gz WTDHVKMRANCCLE-QFIPXVFZSA-N 1 3 399.579 3.904 20 0 GHADHO CCOC(=O)N1CC[C@H](N2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)C1 ZINC001256033302 1041485198 /nfs/dbraw/zinc/48/51/98/1041485198.db2.gz WTDHVKMRANCCLE-QFIPXVFZSA-N 1 3 399.579 3.904 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001236093024 1041529062 /nfs/dbraw/zinc/52/90/62/1041529062.db2.gz DJOSZFBQXSTTMT-MRXNPFEDSA-N 1 3 379.570 3.615 20 0 GHADHO CN(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220085 1041628843 /nfs/dbraw/zinc/62/88/43/1041628843.db2.gz YIELPWOUXSXBFD-ILBGXUMGSA-N 1 3 392.591 3.711 20 0 GHADHO Fc1cc(-c2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)ccc1CN1CCCCC1 ZINC001236257370 1041643811 /nfs/dbraw/zinc/64/38/11/1041643811.db2.gz CGKLKPJTYKMMMT-KRWDZBQOSA-N 1 3 379.483 3.598 20 0 GHADHO Brc1cc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC001236372860 1041686501 /nfs/dbraw/zinc/68/65/01/1041686501.db2.gz DXNGUPUNTXMNPI-AWEZNQCLSA-N 1 3 395.341 3.922 20 0 GHADHO Brc1ccc(CN(C2CCC2)C2CC[NH2+]CC2)c2nsnc21 ZINC001236646190 1041801223 /nfs/dbraw/zinc/80/12/23/1041801223.db2.gz FAVBOUPEDDILES-UHFFFAOYSA-N 1 3 381.343 3.560 20 0 GHADHO Brc1ccc(C[N@H+](C2CCC2)C2CCNCC2)c2nsnc21 ZINC001236646190 1041801233 /nfs/dbraw/zinc/80/12/33/1041801233.db2.gz FAVBOUPEDDILES-UHFFFAOYSA-N 1 3 381.343 3.560 20 0 GHADHO Brc1ccc(C[N@@H+](C2CCC2)C2CCNCC2)c2nsnc21 ZINC001236646190 1041801241 /nfs/dbraw/zinc/80/12/41/1041801241.db2.gz FAVBOUPEDDILES-UHFFFAOYSA-N 1 3 381.343 3.560 20 0 GHADHO COc1ccccc1CN(Cc1ccnc(OC(F)F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711923 1041848350 /nfs/dbraw/zinc/84/83/50/1041848350.db2.gz XBCFQFIVRQLMQE-IYARVYRRSA-N 1 3 391.462 3.964 20 0 GHADHO Clc1ccc2c(c1)[C@@H]1CN(Cc3ccccc3N3CC[NH2+]CC3)CC[C@@H]1N2 ZINC001237250153 1042106883 /nfs/dbraw/zinc/10/68/83/1042106883.db2.gz SQFAKQHDVAHZMP-FPOVZHCZSA-N 1 3 382.939 3.533 20 0 GHADHO CC[NH+](CC)CCCN1CCN(Cc2ccc3c(c2)C(C(C)C)=NCC3)CC1 ZINC001237887122 1042410308 /nfs/dbraw/zinc/41/03/08/1042410308.db2.gz RRGHLXHEOWZOLP-UHFFFAOYSA-N 1 3 384.612 3.537 20 0 GHADHO Cc1cccnc1N1CCCN([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550874 1043514687 /nfs/dbraw/zinc/51/46/87/1043514687.db2.gz NXZKEVVKHGRVBP-GMAHTHKFSA-N 1 3 378.564 3.955 20 0 GHADHO Cc1cccnc1N1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550874 1043514704 /nfs/dbraw/zinc/51/47/04/1043514704.db2.gz NXZKEVVKHGRVBP-GMAHTHKFSA-N 1 3 378.564 3.955 20 0 GHADHO CC(C)([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC001256677739 1043616693 /nfs/dbraw/zinc/61/66/93/1043616693.db2.gz HTCTYWICHAOUCA-UHFFFAOYSA-N 1 3 381.358 3.917 20 0 GHADHO Clc1cccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)c1 ZINC001256685315 1043620927 /nfs/dbraw/zinc/62/09/27/1043620927.db2.gz CYNJPUGEOHSWAI-UHFFFAOYSA-N 1 3 378.944 3.579 20 0 GHADHO FC(F)(F)c1cnccc1[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256687193 1043622097 /nfs/dbraw/zinc/62/20/97/1043622097.db2.gz PMSPLJLVGXPAOP-LADRWXRNSA-N 1 3 383.458 3.785 20 0 GHADHO FC(F)(F)c1cncc([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)c1 ZINC001256687592 1043624195 /nfs/dbraw/zinc/62/41/95/1043624195.db2.gz ZBELWQAPUUMBKO-ACBHZAAOSA-N 1 3 383.458 3.785 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC001256788877 1043652104 /nfs/dbraw/zinc/65/21/04/1043652104.db2.gz BTPKNOMYYZNWOW-LOSJGSFVSA-N 1 3 393.575 3.834 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808108 1043663920 /nfs/dbraw/zinc/66/39/20/1043663920.db2.gz DSMDISNRPOJEQJ-CJRSTVEYSA-N 1 3 384.564 3.587 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808108 1043663929 /nfs/dbraw/zinc/66/39/29/1043663929.db2.gz DSMDISNRPOJEQJ-CJRSTVEYSA-N 1 3 384.564 3.587 20 0 GHADHO O=C(c1ccc(Cl)cc1)N1CCCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256862028 1043707838 /nfs/dbraw/zinc/70/78/38/1043707838.db2.gz GGPYNOOYBSXWJX-UHFFFAOYSA-N 1 3 398.938 3.552 20 0 GHADHO C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C[C@H](C)O1 ZINC001257091667 1043840367 /nfs/dbraw/zinc/84/03/67/1043840367.db2.gz GCEWHWYJOOFIMF-FCGDIQPGSA-N 1 3 378.582 3.759 20 0 GHADHO CC[C@@H]1C[C@H](N2CCN(c3cc[nH+]c(C)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257146146 1043894901 /nfs/dbraw/zinc/89/49/01/1043894901.db2.gz YMAZLFWAHAOGSJ-UYAOXDASSA-N 1 3 388.556 3.690 20 0 GHADHO CC(C)[NH+]1CCC(N2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001257217948 1043940040 /nfs/dbraw/zinc/94/00/40/1043940040.db2.gz SDSGDXAJWBPQPA-NRFANRHFSA-N 1 3 375.582 3.549 20 0 GHADHO CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257463874 1044005084 /nfs/dbraw/zinc/00/50/84/1044005084.db2.gz QPQYVHOEDVKCGU-ONTIZHBOSA-N 1 3 387.612 3.996 20 0 GHADHO CCOC(=O)CCC[C@H](C)[NH+]1CCC2(CCCN2Cc2c(C)noc2C)CC1 ZINC001258121047 1044408272 /nfs/dbraw/zinc/40/82/72/1044408272.db2.gz HQCNCTNHFJVJBG-KRWDZBQOSA-N 1 3 391.556 3.844 20 0 GHADHO Cc1c[nH+]ccc1N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001258564903 1044643566 /nfs/dbraw/zinc/64/35/66/1044643566.db2.gz QQOPRDHURDWRSU-GOSISDBHSA-N 1 3 388.556 3.690 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC(C)(C)C1 ZINC001258688056 1044713716 /nfs/dbraw/zinc/71/37/16/1044713716.db2.gz XFIKXGSTOGYWNZ-HMXCVIKNSA-N 1 3 385.596 3.606 20 0 GHADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258831885 1044777553 /nfs/dbraw/zinc/77/75/53/1044777553.db2.gz SBZLGTDZGYHJAK-NRFANRHFSA-N 1 3 387.612 3.852 20 0 GHADHO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294743541 1044779507 /nfs/dbraw/zinc/77/95/07/1044779507.db2.gz BSWLGVIOZLKUPZ-MOPGFXCFSA-N 1 3 390.620 3.587 20 0 GHADHO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294743541 1044779525 /nfs/dbraw/zinc/77/95/25/1044779525.db2.gz BSWLGVIOZLKUPZ-MOPGFXCFSA-N 1 3 390.620 3.587 20 0 GHADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)[C@H](n2cncn2)C1 ZINC001261240220 1045935772 /nfs/dbraw/zinc/93/57/72/1045935772.db2.gz PTTYJFBFFXVZLW-XBYSBRQOSA-N 1 3 381.568 3.900 20 0 GHADHO Fc1cc(CN2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)ccc1Cl ZINC001279396938 1047792832 /nfs/dbraw/zinc/79/28/32/1047792832.db2.gz IOPDZJLSWIJGFS-HDICACEKSA-N 1 3 376.907 3.520 20 0 GHADHO Fc1cc(CN2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)ccc1Cl ZINC001279396938 1047792836 /nfs/dbraw/zinc/79/28/36/1047792836.db2.gz IOPDZJLSWIJGFS-HDICACEKSA-N 1 3 376.907 3.520 20 0 GHADHO Brc1ncccc1CN1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279417278 1047798454 /nfs/dbraw/zinc/79/84/54/1047798454.db2.gz LRQRTKTZNSWCPY-IYBDPMFKSA-N 1 3 389.341 3.516 20 0 GHADHO Brc1ncccc1CN1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279417278 1047798459 /nfs/dbraw/zinc/79/84/59/1047798459.db2.gz LRQRTKTZNSWCPY-IYBDPMFKSA-N 1 3 389.341 3.516 20 0 GHADHO COc1ccc(Cl)cc1CN1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279579517 1047848522 /nfs/dbraw/zinc/84/85/22/1047848522.db2.gz MHCQJSVNTYOOEK-OAQYLSRUSA-N 1 3 379.976 3.588 20 0 GHADHO COc1cc(Cl)ccc1CN1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279609473 1047866760 /nfs/dbraw/zinc/86/67/60/1047866760.db2.gz BKDPAQBGBXTTHU-NRFANRHFSA-N 1 3 379.976 3.588 20 0 GHADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3c(C)cc(F)cc3Cl)(C1)CCC2 ZINC001280227960 1048137314 /nfs/dbraw/zinc/13/73/14/1048137314.db2.gz MYHMFNRLGXMWAJ-UXHICEINSA-N 1 3 384.923 3.933 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC001308204086 1049911906 /nfs/dbraw/zinc/91/19/06/1049911906.db2.gz YQOWLEAPFYFCIS-HSZRJFAPSA-N 1 3 385.596 3.796 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(F)c2OC(F)(F)F)C[C@H](C)O1 ZINC001308281226 1049935641 /nfs/dbraw/zinc/93/56/41/1049935641.db2.gz MNUYSADXSQRVJD-KBPBESRZSA-N 1 3 378.410 3.703 20 0 GHADHO COc1cc(Br)c(CNC2CCC(C)([NH+](C)C)CC2)c(OC)c1 ZINC001308494706 1049990008 /nfs/dbraw/zinc/99/00/08/1049990008.db2.gz MXDBDYPFINXRKG-UHFFFAOYSA-N 1 3 385.346 3.819 20 0 GHADHO CN1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001330080920 1050953557 /nfs/dbraw/zinc/95/35/57/1050953557.db2.gz HBICZMOCORXVAG-BJKOFHAPSA-N 1 3 381.539 3.868 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC001312222491 1052646319 /nfs/dbraw/zinc/64/63/19/1052646319.db2.gz GACJVWCYCQSMPP-UWJYYQICSA-N 1 3 392.563 3.628 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC001312222491 1052646325 /nfs/dbraw/zinc/64/63/25/1052646325.db2.gz GACJVWCYCQSMPP-UWJYYQICSA-N 1 3 392.563 3.628 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001313038508 1052940263 /nfs/dbraw/zinc/94/02/63/1052940263.db2.gz ZDNQZFTWAJHVFO-HXUWFJFHSA-N 1 3 378.605 3.547 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001313038508 1052940265 /nfs/dbraw/zinc/94/02/65/1052940265.db2.gz ZDNQZFTWAJHVFO-HXUWFJFHSA-N 1 3 378.605 3.547 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC001313117428 1052961171 /nfs/dbraw/zinc/96/11/71/1052961171.db2.gz PICDHSQGEPGICM-AOMIVXANSA-N 1 3 390.616 3.545 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC001313117428 1052961173 /nfs/dbraw/zinc/96/11/73/1052961173.db2.gz PICDHSQGEPGICM-AOMIVXANSA-N 1 3 390.616 3.545 20 0 GHADHO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001313316419 1053016039 /nfs/dbraw/zinc/01/60/39/1053016039.db2.gz RGUJRKDQNOJRJA-XLIONFOSSA-N 1 3 394.991 3.676 20 0 GHADHO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001319393526 1055224771 /nfs/dbraw/zinc/22/47/71/1055224771.db2.gz LWPOYQJFYNIXJS-MHECFPHRSA-N 1 3 381.539 3.986 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)s1 ZINC001322277280 1056603776 /nfs/dbraw/zinc/60/37/76/1056603776.db2.gz UBRDPXRXIYSYBO-LJQANCHMSA-N 1 3 385.577 3.903 20 0 GHADHO CC(C)c1ccccc1CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000848537018 1057158299 /nfs/dbraw/zinc/15/82/99/1057158299.db2.gz ZZLRGRGAUGEMGE-QFIPXVFZSA-N 1 3 379.548 3.797 20 0 GHADHO CC(C)c1ccccc1CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000848537018 1057158305 /nfs/dbraw/zinc/15/83/05/1057158305.db2.gz ZZLRGRGAUGEMGE-QFIPXVFZSA-N 1 3 379.548 3.797 20 0 GHADHO COC(=O)Cc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000848572889 1057188445 /nfs/dbraw/zinc/18/84/45/1057188445.db2.gz MRTCJPOKJQNGSU-QFIPXVFZSA-N 1 3 378.516 3.689 20 0 GHADHO COC(=O)Cc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000848572889 1057188449 /nfs/dbraw/zinc/18/84/49/1057188449.db2.gz MRTCJPOKJQNGSU-QFIPXVFZSA-N 1 3 378.516 3.689 20 0 GHADHO Cc1ccc(OCCCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849060895 1057570564 /nfs/dbraw/zinc/57/05/64/1057570564.db2.gz YWSHDQJOPMFFBG-UHFFFAOYSA-N 1 3 394.563 3.933 20 0 GHADHO CN(C)CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCCC1 ZINC001443434911 1059131442 /nfs/dbraw/zinc/13/14/42/1059131442.db2.gz WYTWHUFNGMVTGH-QFIPXVFZSA-N 1 3 383.580 3.622 20 0 GHADHO CN(C)CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCC1 ZINC001443434911 1059131446 /nfs/dbraw/zinc/13/14/46/1059131446.db2.gz WYTWHUFNGMVTGH-QFIPXVFZSA-N 1 3 383.580 3.622 20 0 GHADHO CC[NH+]1CCC(C(=O)Nc2ccc(CN(C)C)cc2F)(c2ccccc2)CC1 ZINC001451392027 1060769828 /nfs/dbraw/zinc/76/98/28/1060769828.db2.gz OFAOTHQZPQNBQK-UHFFFAOYSA-N 1 3 383.511 3.880 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001341793058 1060899407 /nfs/dbraw/zinc/89/94/07/1060899407.db2.gz ZAZOASGQFUQSCH-VQTJNVASSA-N 1 3 395.572 3.521 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001341793058 1060899422 /nfs/dbraw/zinc/89/94/22/1060899422.db2.gz ZAZOASGQFUQSCH-VQTJNVASSA-N 1 3 395.572 3.521 20 0 GHADHO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001455115964 1062013115 /nfs/dbraw/zinc/01/31/15/1062013115.db2.gz MPBVQCIJYYETSX-JOCHJYFZSA-N 1 3 392.547 3.918 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001357338103 1067052607 /nfs/dbraw/zinc/05/26/07/1067052607.db2.gz NZQOGRZHQANGIG-ROUUACIJSA-N 1 3 375.582 3.561 20 0 GHADHO C[C@H](NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC001467297817 1067207937 /nfs/dbraw/zinc/20/79/37/1067207937.db2.gz BBSOSMPSFLXUDQ-OYDLWJJNSA-N 1 3 393.575 3.749 20 0 GHADHO C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC001467297817 1067207949 /nfs/dbraw/zinc/20/79/49/1067207949.db2.gz BBSOSMPSFLXUDQ-OYDLWJJNSA-N 1 3 393.575 3.749 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCC3([NH+](C)C)CCCCCC3)CC2)CC1 ZINC001467750273 1067451296 /nfs/dbraw/zinc/45/12/96/1067451296.db2.gz IPRONAFFMUKLFB-UHFFFAOYSA-N 1 3 378.605 3.547 20 0 GHADHO CN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001467752260 1067452365 /nfs/dbraw/zinc/45/23/65/1067452365.db2.gz OOVYLELANZPFSD-NRFANRHFSA-N 1 3 386.584 3.557 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468349856 1067697562 /nfs/dbraw/zinc/69/75/62/1067697562.db2.gz GZVSGUZQMZKLPU-OFNKIYASSA-N 1 3 396.579 3.808 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468349856 1067697565 /nfs/dbraw/zinc/69/75/65/1067697565.db2.gz GZVSGUZQMZKLPU-OFNKIYASSA-N 1 3 396.579 3.808 20 0 GHADHO [NH2+]=C(NCc1ccc(C2CC2)cc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000849102744 1067728907 /nfs/dbraw/zinc/72/89/07/1067728907.db2.gz SGGKYFQOOMROGY-UHFFFAOYSA-N 1 3 380.511 3.982 20 0 GHADHO CC1CCC(N2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)CC1 ZINC001469135634 1067991124 /nfs/dbraw/zinc/99/11/24/1067991124.db2.gz JWZVWFHFQGEPLY-UHFFFAOYSA-N 1 3 390.616 3.689 20 0 GHADHO C[C@H]1C[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC001469319551 1068100469 /nfs/dbraw/zinc/10/04/69/1068100469.db2.gz VAOPIDVNULIFAL-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057401 1078694860 /nfs/dbraw/zinc/69/48/60/1078694860.db2.gz KOFPYZSOUVSRJM-VQTJNVASSA-N 1 3 392.975 3.506 20 0 GHADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057401 1078694864 /nfs/dbraw/zinc/69/48/64/1078694864.db2.gz KOFPYZSOUVSRJM-VQTJNVASSA-N 1 3 392.975 3.506 20 0 GHADHO CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](CC)CC)[C@H]1CCN(C)C1 ZINC001478734332 1078970214 /nfs/dbraw/zinc/97/02/14/1078970214.db2.gz AWJDZKGNAAGZDD-FCHUYYIVSA-N 1 3 388.600 3.758 20 0 GHADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716956 1074104601 /nfs/dbraw/zinc/10/46/01/1074104601.db2.gz NSZFXVKYEPIXDQ-RTWAWAEBSA-N 1 3 377.617 3.858 20 0 GHADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716956 1074104606 /nfs/dbraw/zinc/10/46/06/1074104606.db2.gz NSZFXVKYEPIXDQ-RTWAWAEBSA-N 1 3 377.617 3.858 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(F)c2cccnc12 ZINC001474084298 1074258353 /nfs/dbraw/zinc/25/83/53/1074258353.db2.gz GVUOVVBFTXVWBA-FQEVSTJZSA-N 1 3 379.479 3.620 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(F)c2cccnc12 ZINC001474084298 1074258360 /nfs/dbraw/zinc/25/83/60/1074258360.db2.gz GVUOVVBFTXVWBA-FQEVSTJZSA-N 1 3 379.479 3.620 20 0 GHADHO O[C@H](CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)COCc1ccccc1 ZINC001474651515 1074500312 /nfs/dbraw/zinc/50/03/12/1074500312.db2.gz RNMJTLUSWGJYBB-FQUZAXHOSA-N 1 3 394.559 3.597 20 0 GHADHO FC(F)(F)c1cc(Br)cc(CNC[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001474735234 1074539040 /nfs/dbraw/zinc/53/90/40/1074539040.db2.gz LHLYSWXUQWSHJJ-CYBMUJFWSA-N 1 3 377.248 3.899 20 0 GHADHO CC[N@H+](CCC1CC[NH+]([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419015 608212257 /nfs/dbraw/zinc/21/22/57/608212257.db2.gz DFUUOXDBXIVUQC-QGZVFWFLSA-N 1 3 382.556 3.762 20 0 GHADHO CC[N@@H+](CCC1CC[NH+]([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419015 608212258 /nfs/dbraw/zinc/21/22/58/608212258.db2.gz DFUUOXDBXIVUQC-QGZVFWFLSA-N 1 3 382.556 3.762 20 0 GHADHO CC[N@H+](CCC1CC[NH+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419015 608212259 /nfs/dbraw/zinc/21/22/59/608212259.db2.gz DFUUOXDBXIVUQC-QGZVFWFLSA-N 1 3 382.556 3.762 20 0 GHADHO CC[N@@H+](CCC1CC[NH+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419015 608212260 /nfs/dbraw/zinc/21/22/60/608212260.db2.gz DFUUOXDBXIVUQC-QGZVFWFLSA-N 1 3 382.556 3.762 20 0 GHADHO Cc1cccc(N(c2ccc(CN3CCCC3)cn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777688 721329745 /nfs/dbraw/zinc/32/97/45/721329745.db2.gz PGHUAICSHDQEOU-ISKFKSNPSA-N 1 3 392.547 3.645 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000580118543 837443527 /nfs/dbraw/zinc/44/35/27/837443527.db2.gz GSMDQWVGVYFFMA-VQTJNVASSA-N 1 3 375.582 3.534 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000580118543 837443534 /nfs/dbraw/zinc/44/35/34/837443534.db2.gz GSMDQWVGVYFFMA-VQTJNVASSA-N 1 3 375.582 3.534 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000150993648 834405970 /nfs/dbraw/zinc/40/59/70/834405970.db2.gz STDHQLQAWPBHDS-QGZVFWFLSA-N 1 3 379.976 3.961 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000650723747 834704703 /nfs/dbraw/zinc/70/47/03/834704703.db2.gz STTDGYPSOFNXQH-QGPMSJSTSA-N 1 3 390.421 3.628 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccsc1 ZINC000468338232 834757330 /nfs/dbraw/zinc/75/73/30/834757330.db2.gz LZHMQIVQRAPEGK-LJQANCHMSA-N 1 3 380.602 3.647 20 0 GHADHO CN(Cc1ccccc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000510068767 834831563 /nfs/dbraw/zinc/83/15/63/834831563.db2.gz CQOSGJNDUCWMDF-UNMCSNQZSA-N 1 3 392.609 3.897 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccc(C)cc4)C3)CC2)CC1 ZINC000654997489 834936211 /nfs/dbraw/zinc/93/62/11/834936211.db2.gz ZBRUCIRUYXMMEJ-QFIPXVFZSA-N 1 3 383.580 3.507 20 0 GHADHO COc1ccc([C@@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137093 835461345 /nfs/dbraw/zinc/46/13/45/835461345.db2.gz JZRBJOLZWKQXQH-CVDCTZTESA-N 1 3 386.511 3.888 20 0 GHADHO COc1ccc([C@@H](NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137093 835461347 /nfs/dbraw/zinc/46/13/47/835461347.db2.gz JZRBJOLZWKQXQH-CVDCTZTESA-N 1 3 386.511 3.888 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000584108658 835649670 /nfs/dbraw/zinc/64/96/70/835649670.db2.gz NJHSPJKBHHVOKW-OXFYSEKESA-N 1 3 394.968 3.814 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000584108658 835649673 /nfs/dbraw/zinc/64/96/73/835649673.db2.gz NJHSPJKBHHVOKW-OXFYSEKESA-N 1 3 394.968 3.814 20 0 GHADHO O[C@@H](CNC1CC[NH+](C2CCC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000584346643 835899730 /nfs/dbraw/zinc/89/97/30/835899730.db2.gz UZOINCHFNMQUKG-FQEVSTJZSA-N 1 3 377.532 3.762 20 0 GHADHO C[C@@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)N1CCCCCC1 ZINC000471235930 836133902 /nfs/dbraw/zinc/13/39/02/836133902.db2.gz RLDPLHFVTBIPPK-IBGZPJMESA-N 1 3 386.584 3.668 20 0 GHADHO CN(C)Cc1cccc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)c1 ZINC000473276224 844140185 /nfs/dbraw/zinc/14/01/85/844140185.db2.gz KOMCIVAWDPUBMO-UHFFFAOYSA-N 1 3 394.563 3.779 20 0 GHADHO COc1ccc([C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)N2CCCC2)cc1 ZINC000431654709 836174433 /nfs/dbraw/zinc/17/44/33/836174433.db2.gz SEHXFIPUHDUSKY-DHIUTWEWSA-N 1 3 395.547 3.641 20 0 GHADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000275115773 836299208 /nfs/dbraw/zinc/29/92/08/836299208.db2.gz YXVQVKLYSFMRBR-UYAOXDASSA-N 1 3 397.567 3.744 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000511374520 836726473 /nfs/dbraw/zinc/72/64/73/836726473.db2.gz AAZPINHAALRVID-JOCHJYFZSA-N 1 3 381.589 3.994 20 0 GHADHO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCCN3CCCC3)cc1)[C@@H](C)C2 ZINC000180905762 844228638 /nfs/dbraw/zinc/22/86/38/844228638.db2.gz KJHIYFKNZLLWAM-CYFREDJKSA-N 1 3 391.559 3.844 20 0 GHADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000186165131 837074011 /nfs/dbraw/zinc/07/40/11/837074011.db2.gz WINAATVFCMVDKP-MWXLCCTBSA-N 1 3 392.609 3.790 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@H]3CCSc4ccccc43)cc2)CC1 ZINC000414324092 837110918 /nfs/dbraw/zinc/11/09/18/837110918.db2.gz JXZQSUSULFNCKU-NRFANRHFSA-N 1 3 395.572 3.711 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000565242571 837835798 /nfs/dbraw/zinc/83/57/98/837835798.db2.gz PDCWDANAPWOVFN-ZWKOTPCHSA-N 1 3 393.325 3.663 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC000375619495 837937194 /nfs/dbraw/zinc/93/71/94/837937194.db2.gz RYLRMOXMUYAWML-QFIPXVFZSA-N 1 3 379.539 3.964 20 0 GHADHO CC(C)[C@@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[NH+]1CCC(C)CC1 ZINC000510301047 838139080 /nfs/dbraw/zinc/13/90/80/838139080.db2.gz ZXGMHEAIUIVPPE-HXUWFJFHSA-N 1 3 385.552 3.981 20 0 GHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c(-c2cnn(C)c2)c1 ZINC000549802065 844306449 /nfs/dbraw/zinc/30/64/49/844306449.db2.gz HXGILNYRKGZTTQ-BGYRXZFFSA-N 1 3 396.579 3.717 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000415907900 838253832 /nfs/dbraw/zinc/25/38/32/838253832.db2.gz OHVDHIMXWBCZCJ-UHFFFAOYSA-N 1 3 390.478 3.670 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000415935339 838282956 /nfs/dbraw/zinc/28/29/56/838282956.db2.gz UJBXWRGDHBDUHL-FQEVSTJZSA-N 1 3 386.565 3.942 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380223 838344156 /nfs/dbraw/zinc/34/41/56/838344156.db2.gz BGDCJBCIFDXVIW-FYYLOGMGSA-N 1 3 389.543 3.640 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659380223 838344162 /nfs/dbraw/zinc/34/41/62/838344162.db2.gz BGDCJBCIFDXVIW-FYYLOGMGSA-N 1 3 389.543 3.640 20 0 GHADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000416184547 838677927 /nfs/dbraw/zinc/67/79/27/838677927.db2.gz OZHLCPVDXNVAOL-HSZRJFAPSA-N 1 3 394.563 3.849 20 0 GHADHO C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182630466 839121247 /nfs/dbraw/zinc/12/12/47/839121247.db2.gz SLYINHXUIGGAEG-IBGZPJMESA-N 1 3 382.552 3.552 20 0 GHADHO C[C@@H](NC[C@@H]1CC[NH2+][C@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000415107359 839216071 /nfs/dbraw/zinc/21/60/71/839216071.db2.gz OQFABBUOVSZFIK-JHJVBQTASA-N 1 3 379.302 3.538 20 0 GHADHO COc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OCCC(C)C ZINC000415134340 839249554 /nfs/dbraw/zinc/24/95/54/839249554.db2.gz WAJHDPOEKPWJBS-OFNKIYASSA-N 1 3 390.568 3.838 20 0 GHADHO c1c2ccccc2[nH]c1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000683927250 839497334 /nfs/dbraw/zinc/49/73/34/839497334.db2.gz HUDBEUISWASYJM-UHFFFAOYSA-N 1 3 376.548 3.856 20 0 GHADHO C[NH+](C)CCC1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000511523957 839574483 /nfs/dbraw/zinc/57/44/83/839574483.db2.gz PSMQFWAHCVOKQU-UHFFFAOYSA-N 1 3 391.357 3.799 20 0 GHADHO COCC[C@H](NC1CC[NH+](CCOC)CC1)c1ccc(Cl)c(Cl)c1 ZINC000580473411 839620601 /nfs/dbraw/zinc/62/06/01/839620601.db2.gz LXUKQALSMNVHAB-SFHVURJKSA-N 1 3 375.340 3.771 20 0 GHADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000312929682 839906628 /nfs/dbraw/zinc/90/66/28/839906628.db2.gz DUVWKIKXSUTHTQ-YZGWKJHDSA-N 1 3 381.486 3.513 20 0 GHADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416842309 840221341 /nfs/dbraw/zinc/22/13/41/840221341.db2.gz NCUPWSJKRUXBCO-MSOLQXFVSA-N 1 3 380.602 3.536 20 0 GHADHO [NH3+]CCC[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000417046976 840406777 /nfs/dbraw/zinc/40/67/77/840406777.db2.gz ZYHPZSFDEXCLSM-YADHBBJMSA-N 1 3 380.536 3.603 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@]3(C)Cc3ccccc3)CC2)CC1 ZINC000584663593 840462768 /nfs/dbraw/zinc/46/27/68/840462768.db2.gz HCPAFYKOHZHFKW-RUZDIDTESA-N 1 3 397.607 3.807 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000178390937 840653178 /nfs/dbraw/zinc/65/31/78/840653178.db2.gz LAGSAOVWQWBRAA-DENIHFKCSA-N 1 3 385.552 3.988 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000178390937 840653183 /nfs/dbraw/zinc/65/31/83/840653183.db2.gz LAGSAOVWQWBRAA-DENIHFKCSA-N 1 3 385.552 3.988 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)N2CCCC2)cc1 ZINC000417352695 840749032 /nfs/dbraw/zinc/74/90/32/840749032.db2.gz GUXMETSBUGEERI-GCJKJVERSA-N 1 3 380.536 3.651 20 0 GHADHO COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000509908048 844580510 /nfs/dbraw/zinc/58/05/10/844580510.db2.gz GZVMYBRHMFSVAX-PGMHBOJBSA-N 1 3 393.575 3.774 20 0 GHADHO O=C(CC[NH+]1CCC(NCc2ccccc2)CC1)NCc1ccccc1Cl ZINC000660675538 841088013 /nfs/dbraw/zinc/08/80/13/841088013.db2.gz FPHQHMINGATKNK-UHFFFAOYSA-N 1 3 385.939 3.601 20 0 GHADHO C[N@@H+]1CCC[C@H](N2CCN(CCCCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000684359708 841886668 /nfs/dbraw/zinc/88/66/68/841886668.db2.gz HDADZDMRZCCOJX-FQEVSTJZSA-N 1 3 383.502 3.740 20 0 GHADHO C[N@H+]1CCC[C@H](N2CCN(CCCCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000684359708 841886681 /nfs/dbraw/zinc/88/66/81/841886681.db2.gz HDADZDMRZCCOJX-FQEVSTJZSA-N 1 3 383.502 3.740 20 0 GHADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000656785356 841922467 /nfs/dbraw/zinc/92/24/67/841922467.db2.gz GVDXTPXWMBIIOD-KRWDZBQOSA-N 1 3 386.458 3.848 20 0 GHADHO C[C@H]1C[N@H+](CCCNCc2ccc(-n3cnc4ccccc43)cc2)CCCO1 ZINC000432356020 842156930 /nfs/dbraw/zinc/15/69/30/842156930.db2.gz HBWVQGSEYAIGCA-IBGZPJMESA-N 1 3 378.520 3.616 20 0 GHADHO C[C@H]1C[N@@H+](CCCNCc2ccc(-n3cnc4ccccc43)cc2)CCCO1 ZINC000432356020 842156934 /nfs/dbraw/zinc/15/69/34/842156934.db2.gz HBWVQGSEYAIGCA-IBGZPJMESA-N 1 3 378.520 3.616 20 0 GHADHO CC(C)[C@H](CCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000581932214 842748793 /nfs/dbraw/zinc/74/87/93/842748793.db2.gz PXSLALCNFRYZMK-QHCPKHFHSA-N 1 3 385.596 3.566 20 0 GHADHO CC1CCC(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001126217590 843001744 /nfs/dbraw/zinc/00/17/44/843001744.db2.gz CCMARXXSJNSXBA-GTMAMOSYSA-N 1 3 383.580 3.622 20 0 GHADHO CC1CCC(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001126217590 843001754 /nfs/dbraw/zinc/00/17/54/843001754.db2.gz CCMARXXSJNSXBA-GTMAMOSYSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@H]1C[C@@H](N(C)C[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000430839561 843055320 /nfs/dbraw/zinc/05/53/20/843055320.db2.gz OVLAQNFWIPWFMP-NKKJXINNSA-N 1 3 382.548 3.549 20 0 GHADHO C[C@H]1C[C@@H](N(C)C[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430839561 843055332 /nfs/dbraw/zinc/05/53/32/843055332.db2.gz OVLAQNFWIPWFMP-NKKJXINNSA-N 1 3 382.548 3.549 20 0 GHADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC001167882197 843198992 /nfs/dbraw/zinc/19/89/92/843198992.db2.gz VZUCWLXFUGQTPD-SFHVURJKSA-N 1 3 381.511 3.575 20 0 GHADHO CC(C)C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[NH2+][C@H](C)c1ccccc1 ZINC000662455562 843285411 /nfs/dbraw/zinc/28/54/11/843285411.db2.gz ZLTZFMRKAMPZBK-VQIMIIECSA-N 1 3 385.577 3.889 20 0 GHADHO Cc1cc(NC(=O)C[C@H]2NCc3ccccc32)ccc1OCC[NH+]1CCCC1 ZINC000662466116 843299842 /nfs/dbraw/zinc/29/98/42/843299842.db2.gz BWKQTAHWNCQBMN-OAQYLSRUSA-N 1 3 379.504 3.643 20 0 GHADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCc2ccccc2Cl)CC1 ZINC000159331851 843313078 /nfs/dbraw/zinc/31/30/78/843313078.db2.gz VHAKHQNNWKACLX-UHFFFAOYSA-N 1 3 391.987 3.587 20 0 GHADHO Cc1cc(NC(=O)C[C@@H]2NCc3ccccc32)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000662541987 843391165 /nfs/dbraw/zinc/39/11/65/843391165.db2.gz LLPUYDFSIRSUHG-QHCPKHFHSA-N 1 3 392.547 3.699 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1)C1CC1 ZINC000599627411 861416793 /nfs/dbraw/zinc/41/67/93/861416793.db2.gz AZSZWOZXHHJKSI-IBGZPJMESA-N 1 3 379.548 3.921 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1)C1CC1 ZINC000599627411 861416800 /nfs/dbraw/zinc/41/68/00/861416800.db2.gz AZSZWOZXHHJKSI-IBGZPJMESA-N 1 3 379.548 3.921 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469194 843667470 /nfs/dbraw/zinc/66/74/70/843667470.db2.gz OXYMHBJKCQZYDJ-PKOBYXMFSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469194 843667475 /nfs/dbraw/zinc/66/74/75/843667475.db2.gz OXYMHBJKCQZYDJ-PKOBYXMFSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469194 843667480 /nfs/dbraw/zinc/66/74/80/843667480.db2.gz OXYMHBJKCQZYDJ-PKOBYXMFSA-N 1 3 391.987 3.789 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001167821171 843693679 /nfs/dbraw/zinc/69/36/79/843693679.db2.gz CEVIWZBMZUNBOG-SKWRMQMOSA-N 1 3 391.600 3.701 20 0 GHADHO FC1(F)CCC[C@@H](CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444085 843818077 /nfs/dbraw/zinc/81/80/77/843818077.db2.gz KMQBWNZWYQPEPV-RTWAWAEBSA-N 1 3 377.523 3.704 20 0 GHADHO FC1(F)CCC[C@@H](CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444085 843818106 /nfs/dbraw/zinc/81/81/06/843818106.db2.gz KMQBWNZWYQPEPV-RTWAWAEBSA-N 1 3 377.523 3.704 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000645196181 843838206 /nfs/dbraw/zinc/83/82/06/843838206.db2.gz KUINMTUJLHDTEQ-HNNXBMFYSA-N 1 3 386.353 3.655 20 0 GHADHO C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000179102704 861470472 /nfs/dbraw/zinc/47/04/72/861470472.db2.gz IRPZHQXQSRFZRX-CYFREDJKSA-N 1 3 391.559 3.897 20 0 GHADHO CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000512617934 844776120 /nfs/dbraw/zinc/77/61/20/844776120.db2.gz HAMVVXSFDZARRW-BHIFYINESA-N 1 3 383.580 3.525 20 0 GHADHO C[C@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000236660316 845164079 /nfs/dbraw/zinc/16/40/79/845164079.db2.gz IUVHFJLXBYKPHE-FBBABVLZSA-N 1 3 385.577 3.973 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000498590585 861548781 /nfs/dbraw/zinc/54/87/81/861548781.db2.gz IKNDIRYJOUHSNQ-FXAWDEMLSA-N 1 3 390.572 3.805 20 0 GHADHO COc1ccccc1[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248390631 845293536 /nfs/dbraw/zinc/29/35/36/845293536.db2.gz BLOHSYNRYSZXLC-CWKRKGSWSA-N 1 3 380.532 3.619 20 0 GHADHO COc1ccccc1[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248390631 845293551 /nfs/dbraw/zinc/29/35/51/845293551.db2.gz BLOHSYNRYSZXLC-CWKRKGSWSA-N 1 3 380.532 3.619 20 0 GHADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC1CC[NH+](C2CCCCC2)CC1 ZINC000157511223 845981812 /nfs/dbraw/zinc/98/18/12/845981812.db2.gz LBKHZCOCFVYHTG-HNNXBMFYSA-N 1 3 378.948 3.839 20 0 GHADHO CNC(=O)c1ccc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513678422 846224820 /nfs/dbraw/zinc/22/48/20/846224820.db2.gz MYSXPXBGJGRTKT-RBZQAINGSA-N 1 3 391.559 3.827 20 0 GHADHO CNC(=O)c1ccc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513678422 846224831 /nfs/dbraw/zinc/22/48/31/846224831.db2.gz MYSXPXBGJGRTKT-RBZQAINGSA-N 1 3 391.559 3.827 20 0 GHADHO Cc1cc2[nH]c(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)cc2c(C)c1 ZINC000414520512 846273431 /nfs/dbraw/zinc/27/34/31/846273431.db2.gz DBCOAAMJAFVYHX-UHFFFAOYSA-N 1 3 377.532 3.901 20 0 GHADHO Clc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)c(-n2cncn2)c1 ZINC000280098098 846295201 /nfs/dbraw/zinc/29/52/01/846295201.db2.gz ZUHDSPSFJNLWMX-UHFFFAOYSA-N 1 3 381.911 3.806 20 0 GHADHO COc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1OC(C)C ZINC000414547370 846493989 /nfs/dbraw/zinc/49/39/89/846493989.db2.gz HVBPQBURRVXOLR-UHFFFAOYSA-N 1 3 398.547 3.599 20 0 GHADHO Cc1ccc([C@@H](C)NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501049382 846576902 /nfs/dbraw/zinc/57/69/02/846576902.db2.gz YQOKNYUIQWXZDK-HXUWFJFHSA-N 1 3 394.563 3.724 20 0 GHADHO COC1([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000421857699 846624100 /nfs/dbraw/zinc/62/41/00/846624100.db2.gz POHCSIGKXMOFQM-IRLDBZIGSA-N 1 3 386.580 3.853 20 0 GHADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1cccc(Br)c1 ZINC000501091352 846632342 /nfs/dbraw/zinc/63/23/42/846632342.db2.gz HCDXHSWWIQXQJM-UHFFFAOYSA-N 1 3 382.390 3.687 20 0 GHADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1cccc(Br)c1 ZINC000501091352 846632347 /nfs/dbraw/zinc/63/23/47/846632347.db2.gz HCDXHSWWIQXQJM-UHFFFAOYSA-N 1 3 382.390 3.687 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501162880 846693965 /nfs/dbraw/zinc/69/39/65/846693965.db2.gz LBEUIDWXFLHPCL-YQVWRLOYSA-N 1 3 380.602 3.693 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501162880 846693969 /nfs/dbraw/zinc/69/39/69/846693969.db2.gz LBEUIDWXFLHPCL-YQVWRLOYSA-N 1 3 380.602 3.693 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(CN(C)C)c1)Cc1ccccc1 ZINC000501236526 846765322 /nfs/dbraw/zinc/76/53/22/846765322.db2.gz SQHLQEIUTJZXRH-QFIPXVFZSA-N 1 3 382.552 3.823 20 0 GHADHO [NH3+]C[C@H](NCCC(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000420370321 847145025 /nfs/dbraw/zinc/14/50/25/847145025.db2.gz OXKODJJDFSOCTP-QFIPXVFZSA-N 1 3 379.548 3.780 20 0 GHADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000582544514 847528694 /nfs/dbraw/zinc/52/86/94/847528694.db2.gz REKXXHVWVAOVEK-AEFFLSMTSA-N 1 3 399.501 3.621 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000422944003 847908412 /nfs/dbraw/zinc/90/84/12/847908412.db2.gz LWPVVOIDCLWRLB-NDAONFMYSA-N 1 3 385.596 3.696 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000422996153 847941067 /nfs/dbraw/zinc/94/10/67/847941067.db2.gz KZRIKYMXSKTVSP-TXBYWVTISA-N 1 3 383.536 3.825 20 0 GHADHO CCC(CC)(CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000503797600 847949512 /nfs/dbraw/zinc/94/95/12/847949512.db2.gz WJTOUYGUVCCFMX-RXVVDRJESA-N 1 3 386.584 3.774 20 0 GHADHO Brc1cccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423091130 847975588 /nfs/dbraw/zinc/97/55/88/847975588.db2.gz WSIUYQIJCXBESW-WZGPROSRSA-N 1 3 378.358 3.538 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC000582685478 848007426 /nfs/dbraw/zinc/00/74/26/848007426.db2.gz CUWKIGMLMHOELQ-QFIPXVFZSA-N 1 3 383.536 3.568 20 0 GHADHO CC1CC[NH+](CCCNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604161751 861878854 /nfs/dbraw/zinc/87/88/54/861878854.db2.gz MQNSGOGYFFPPJY-JOCHJYFZSA-N 1 3 386.584 3.635 20 0 GHADHO CC[C@H](C)Oc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657593691 848286437 /nfs/dbraw/zinc/28/64/37/848286437.db2.gz BLYYUPSYGGLXDM-AVRDEDQJSA-N 1 3 398.547 3.729 20 0 GHADHO CC[C@H](C)Oc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657593691 848286445 /nfs/dbraw/zinc/28/64/45/848286445.db2.gz BLYYUPSYGGLXDM-AVRDEDQJSA-N 1 3 398.547 3.729 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596173 848290187 /nfs/dbraw/zinc/29/01/87/848290187.db2.gz MAUTVPLUYNMXCB-BBRMVZONSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596173 848290194 /nfs/dbraw/zinc/29/01/94/848290194.db2.gz MAUTVPLUYNMXCB-BBRMVZONSA-N 1 3 395.366 3.928 20 0 GHADHO Clc1ccc(-n2cc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cn2)cc1 ZINC000657612236 848324122 /nfs/dbraw/zinc/32/41/22/848324122.db2.gz JVJHFTVANXQKOD-UHFFFAOYSA-N 1 3 395.938 3.923 20 0 GHADHO c1cc(CN2CCC(C[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)ccn1 ZINC000657611968 848325149 /nfs/dbraw/zinc/32/51/49/848325149.db2.gz GNLIGGXMUVYSKG-DEOSSOPVSA-N 1 3 395.547 3.641 20 0 GHADHO Cc1ccc(OC(F)F)c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657613965 848341949 /nfs/dbraw/zinc/34/19/49/848341949.db2.gz ZHEPYAMERXJEOF-UHFFFAOYSA-N 1 3 375.463 3.993 20 0 GHADHO Cn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(-c2cccs2)n1 ZINC000657613981 848341970 /nfs/dbraw/zinc/34/19/70/848341970.db2.gz ZUKJVJPHGVVDTC-UHFFFAOYSA-N 1 3 381.549 3.545 20 0 GHADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000604171043 861923340 /nfs/dbraw/zinc/92/33/40/861923340.db2.gz JOGZKVSUBFPAAH-URVUXULASA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000604171043 861923348 /nfs/dbraw/zinc/92/33/48/861923348.db2.gz JOGZKVSUBFPAAH-URVUXULASA-N 1 3 386.584 3.633 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000481650657 861950584 /nfs/dbraw/zinc/95/05/84/861950584.db2.gz OFHPYSIUCOYTLW-HSZRJFAPSA-N 1 3 392.547 3.538 20 0 GHADHO CC(C)Cn1ccc2c1cccc2C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000278109516 849227277 /nfs/dbraw/zinc/22/72/77/849227277.db2.gz KUEQWGGCBOMVKK-UHFFFAOYSA-N 1 3 396.579 3.586 20 0 GHADHO Cc1c([C@@H](C)N[C@@H](C)CCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423446401 849922151 /nfs/dbraw/zinc/92/21/51/849922151.db2.gz YSPZRVMWTRPZEJ-QWHCGFSZSA-N 1 3 380.334 3.506 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(c3ccnn3CC)CC2)CC1 ZINC000435028947 850011587 /nfs/dbraw/zinc/01/15/87/850011587.db2.gz SAGIYQBTEVLPTM-UHFFFAOYSA-N 1 3 395.595 3.815 20 0 GHADHO CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475027220 862089265 /nfs/dbraw/zinc/08/92/65/862089265.db2.gz GJGAFBQCBYTRKH-XZOQPEGZSA-N 1 3 394.563 3.595 20 0 GHADHO CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475027220 862089279 /nfs/dbraw/zinc/08/92/79/862089279.db2.gz GJGAFBQCBYTRKH-XZOQPEGZSA-N 1 3 394.563 3.595 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743183 850225899 /nfs/dbraw/zinc/22/58/99/850225899.db2.gz UHUIBKHHBNVZAP-GOTSBHOMSA-N 1 3 396.531 3.671 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743183 850225905 /nfs/dbraw/zinc/22/59/05/850225905.db2.gz UHUIBKHHBNVZAP-GOTSBHOMSA-N 1 3 396.531 3.671 20 0 GHADHO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000514831580 850363534 /nfs/dbraw/zinc/36/35/34/850363534.db2.gz DHHCQUHWGJDTKJ-JRIJMYPQSA-N 1 3 393.522 3.649 20 0 GHADHO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000514831580 850363542 /nfs/dbraw/zinc/36/35/42/850363542.db2.gz DHHCQUHWGJDTKJ-JRIJMYPQSA-N 1 3 393.522 3.649 20 0 GHADHO COc1ccc(C(=O)Nc2cccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000435373338 850420745 /nfs/dbraw/zinc/42/07/45/850420745.db2.gz DRPDAUIIYDCFFF-VLCRHTCISA-N 1 3 379.504 3.507 20 0 GHADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)ccc1OC ZINC000519201261 850753453 /nfs/dbraw/zinc/75/34/53/850753453.db2.gz DLJGBCSGQIIBPX-KSZLIROESA-N 1 3 391.556 3.616 20 0 GHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1sccc1NC(=O)OC(C)(C)C ZINC000894453629 851331740 /nfs/dbraw/zinc/33/17/40/851331740.db2.gz HTEUYSZNLQMAFL-UHFFFAOYSA-N 1 3 396.601 3.553 20 0 GHADHO COc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CCOCC2)c1 ZINC001167975875 851853267 /nfs/dbraw/zinc/85/32/67/851853267.db2.gz YOTWJFVBVCSNCK-FRIKZZABSA-N 1 3 384.564 3.782 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3CC(F)(F)F)CC2)CC1 ZINC000516192784 852252619 /nfs/dbraw/zinc/25/26/19/852252619.db2.gz KBQVVRGFKLMVHJ-UHFFFAOYSA-N 1 3 397.485 3.926 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000505914484 852568812 /nfs/dbraw/zinc/56/88/12/852568812.db2.gz ZLEGPSAVAQUAOE-YMPZKCBVSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000505914484 852568815 /nfs/dbraw/zinc/56/88/15/852568815.db2.gz ZLEGPSAVAQUAOE-YMPZKCBVSA-N 1 3 383.580 3.764 20 0 GHADHO CC1(C)CC(NCCC(=O)Nc2ccc(Br)cc2)CC(C)(C)[NH2+]1 ZINC000517891702 852582063 /nfs/dbraw/zinc/58/20/63/852582063.db2.gz OIIBJGIOAHKDCH-UHFFFAOYSA-N 1 3 382.346 3.677 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000426089596 852657950 /nfs/dbraw/zinc/65/79/50/852657950.db2.gz NJDSVPRMQPHHDR-QHCPKHFHSA-N 1 3 380.536 3.924 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000426089596 852657957 /nfs/dbraw/zinc/65/79/57/852657957.db2.gz NJDSVPRMQPHHDR-QHCPKHFHSA-N 1 3 380.536 3.924 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000490168371 852802100 /nfs/dbraw/zinc/80/21/00/852802100.db2.gz UVEBVRFRBAFHAK-MBSDFSHPSA-N 1 3 385.527 3.539 20 0 GHADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000507393049 852855245 /nfs/dbraw/zinc/85/52/45/852855245.db2.gz VSYROSZZOWZTPC-OALUTQOASA-N 1 3 392.613 3.552 20 0 GHADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000507393049 852855257 /nfs/dbraw/zinc/85/52/57/852855257.db2.gz VSYROSZZOWZTPC-OALUTQOASA-N 1 3 392.613 3.552 20 0 GHADHO O=C(C1CCC1)N(CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000507497417 852958850 /nfs/dbraw/zinc/95/88/50/852958850.db2.gz RQPOLCIEHFZAPX-GMKZXUHWSA-N 1 3 395.591 3.668 20 0 GHADHO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]13)CC2 ZINC000507521841 853004312 /nfs/dbraw/zinc/00/43/12/853004312.db2.gz BBKGONHOIKOKMP-JMJGKCIBSA-N 1 3 378.564 3.822 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506054994 853177243 /nfs/dbraw/zinc/17/72/43/853177243.db2.gz GMERDLPBHYMELH-AZUAARDMSA-N 1 3 393.522 3.525 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506054994 853177248 /nfs/dbraw/zinc/17/72/48/853177248.db2.gz GMERDLPBHYMELH-AZUAARDMSA-N 1 3 393.522 3.525 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000518291483 853185909 /nfs/dbraw/zinc/18/59/09/853185909.db2.gz SUNRCYOGMQCGJZ-DENIHFKCSA-N 1 3 394.563 3.539 20 0 GHADHO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000439026453 853196244 /nfs/dbraw/zinc/19/62/44/853196244.db2.gz GFTMYJBMULIUHP-UHFFFAOYSA-N 1 3 380.517 3.513 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C/C(C)=C\c3ccccc3)CC2)CC1 ZINC000517039468 853283561 /nfs/dbraw/zinc/28/35/61/853283561.db2.gz FHLLMTUXKVDVBO-ZZEZOPTASA-N 1 3 383.580 3.745 20 0 GHADHO COC(=O)c1ccc(COc2ccccc2CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000437586175 853302910 /nfs/dbraw/zinc/30/29/10/853302910.db2.gz XSZKLHJQHPFZMB-UHFFFAOYSA-N 1 3 396.531 3.826 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964680 853721965 /nfs/dbraw/zinc/72/19/65/853721965.db2.gz WCKSGBOMRJWBIF-DGDSNLKDSA-N 1 3 377.573 3.817 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964680 853721968 /nfs/dbraw/zinc/72/19/68/853721968.db2.gz WCKSGBOMRJWBIF-DGDSNLKDSA-N 1 3 377.573 3.817 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccccc3OC)cc2)CC1 ZINC000520203041 853952295 /nfs/dbraw/zinc/95/22/95/853952295.db2.gz BGJMWSFNTKHLKX-VURMDHGXSA-N 1 3 379.548 3.636 20 0 GHADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(C)(C)C ZINC000604807202 862519040 /nfs/dbraw/zinc/51/90/40/862519040.db2.gz BEDQZUJPABYZED-SJLPKXTDSA-N 1 3 380.602 3.551 20 0 GHADHO O[C@@H](CNCc1cccc(C[NH+]2CCCCCC2)c1)COCc1cccs1 ZINC000571908886 854184003 /nfs/dbraw/zinc/18/40/03/854184003.db2.gz JZMGLNZIYQIJIF-NRFANRHFSA-N 1 3 388.577 3.791 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C[C@H]1C ZINC000458897201 854478294 /nfs/dbraw/zinc/47/82/94/854478294.db2.gz OZQLUEWUMLKLNC-KPFFTGBYSA-N 1 3 392.613 3.525 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C[C@H]1C ZINC000458897201 854478296 /nfs/dbraw/zinc/47/82/96/854478296.db2.gz OZQLUEWUMLKLNC-KPFFTGBYSA-N 1 3 392.613 3.525 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc4c(c3)CNC4)c2)CC1 ZINC000572703827 854939761 /nfs/dbraw/zinc/93/97/61/854939761.db2.gz OTLRCGNDWNSUEX-UHFFFAOYSA-N 1 3 378.520 3.843 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120738 862668924 /nfs/dbraw/zinc/66/89/24/862668924.db2.gz FZULSTIVJQMBGP-CABCVRRESA-N 1 3 387.446 3.624 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120738 862668932 /nfs/dbraw/zinc/66/89/32/862668932.db2.gz FZULSTIVJQMBGP-CABCVRRESA-N 1 3 387.446 3.624 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120738 862668937 /nfs/dbraw/zinc/66/89/37/862668937.db2.gz FZULSTIVJQMBGP-CABCVRRESA-N 1 3 387.446 3.624 20 0 GHADHO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000590778131 855579497 /nfs/dbraw/zinc/57/94/97/855579497.db2.gz GALUTXXWANSDEA-LAWREARLSA-N 1 3 382.573 3.957 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674015769 862696069 /nfs/dbraw/zinc/69/60/69/862696069.db2.gz MOHRYPUTYLPKPB-IRLDBZIGSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674015769 862696075 /nfs/dbraw/zinc/69/60/75/862696075.db2.gz MOHRYPUTYLPKPB-IRLDBZIGSA-N 1 3 383.580 3.764 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000180974756 862697169 /nfs/dbraw/zinc/69/71/69/862697169.db2.gz FCVIMTACDSEIQW-QFIPXVFZSA-N 1 3 393.531 3.516 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000180974738 862697283 /nfs/dbraw/zinc/69/72/83/862697283.db2.gz FCVIMTACDSEIQW-JOCHJYFZSA-N 1 3 393.531 3.516 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)CC(C)C ZINC000107934060 855624097 /nfs/dbraw/zinc/62/40/97/855624097.db2.gz TWNPQGKNFGGSDD-JOCHJYFZSA-N 1 3 388.600 3.660 20 0 GHADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000573121458 855852236 /nfs/dbraw/zinc/85/22/36/855852236.db2.gz DDOYWBFUMRDRKE-NQIIRXRSSA-N 1 3 393.531 3.687 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000573082260 855857839 /nfs/dbraw/zinc/85/78/39/855857839.db2.gz CQOQTPFESKMIFU-RHSMWYFYSA-N 1 3 397.473 3.656 20 0 GHADHO C[C@@H](CN1CCCCC1)NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591430745 855975030 /nfs/dbraw/zinc/97/50/30/855975030.db2.gz RTYUDWJVGNGTRM-PMACEKPBSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H](CN1CCCCC1)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591430745 855975035 /nfs/dbraw/zinc/97/50/35/855975035.db2.gz RTYUDWJVGNGTRM-PMACEKPBSA-N 1 3 387.568 3.544 20 0 GHADHO O=C(NCCCN1CCc2ccccc2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029840378 856071409 /nfs/dbraw/zinc/07/14/09/856071409.db2.gz BNRUDICXFKMBSY-UHFFFAOYSA-N 1 3 391.559 3.851 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000591571127 856156822 /nfs/dbraw/zinc/15/68/22/856156822.db2.gz CGFOOLHIAFIRLG-PKTZIBPZSA-N 1 3 398.595 3.729 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172415954 856429628 /nfs/dbraw/zinc/42/96/28/856429628.db2.gz MHTGZMPFHPDGMA-HXUWFJFHSA-N 1 3 387.543 3.515 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172415954 856429632 /nfs/dbraw/zinc/42/96/32/856429632.db2.gz MHTGZMPFHPDGMA-HXUWFJFHSA-N 1 3 387.543 3.515 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000669427621 856448830 /nfs/dbraw/zinc/44/88/30/856448830.db2.gz MDODRCYKKWOHCR-VJBWXMMDSA-N 1 3 398.595 3.553 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC(C)(C(=O)OC(C)(C)C)CC2)cc1 ZINC000592523779 856919320 /nfs/dbraw/zinc/91/93/20/856919320.db2.gz PYIMMFSTLLKICZ-UHFFFAOYSA-N 1 3 376.541 3.571 20 0 GHADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000674046921 862859588 /nfs/dbraw/zinc/85/95/88/862859588.db2.gz DPJBEOVDDVLGGJ-HNNXBMFYSA-N 1 3 375.340 3.539 20 0 GHADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000674046921 862859608 /nfs/dbraw/zinc/85/96/08/862859608.db2.gz DPJBEOVDDVLGGJ-HNNXBMFYSA-N 1 3 375.340 3.539 20 0 GHADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000508258854 857113426 /nfs/dbraw/zinc/11/34/26/857113426.db2.gz VYELKEMYLXBSCN-XMMPIXPASA-N 1 3 377.576 3.920 20 0 GHADHO C[N@H+]1CCCC[C@@H]1CN1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000508258854 857113433 /nfs/dbraw/zinc/11/34/33/857113433.db2.gz VYELKEMYLXBSCN-XMMPIXPASA-N 1 3 377.576 3.920 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)CC1 ZINC000574034804 857218724 /nfs/dbraw/zinc/21/87/24/857218724.db2.gz UHSZLNWBBJVXDO-NRFANRHFSA-N 1 3 392.547 3.516 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000486076758 857397252 /nfs/dbraw/zinc/39/72/52/857397252.db2.gz HFDAHBVMVLILNI-UHFFFAOYSA-N 1 3 379.548 3.732 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000486076758 857397264 /nfs/dbraw/zinc/39/72/64/857397264.db2.gz HFDAHBVMVLILNI-UHFFFAOYSA-N 1 3 379.548 3.732 20 0 GHADHO C[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000675777461 857607525 /nfs/dbraw/zinc/60/75/25/857607525.db2.gz IGKUWWPHBPGFAZ-CHWSQXEVSA-N 1 3 383.330 3.601 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786983 857613292 /nfs/dbraw/zinc/61/32/92/857613292.db2.gz PEGHMNNOBWSPRI-CTNGQTDRSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786983 857613295 /nfs/dbraw/zinc/61/32/95/857613295.db2.gz PEGHMNNOBWSPRI-CTNGQTDRSA-N 1 3 375.520 3.830 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000672884654 857816726 /nfs/dbraw/zinc/81/67/26/857816726.db2.gz QVMPFVWDQMKBGD-PGRDOPGGSA-N 1 3 388.600 3.517 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168371062 857822640 /nfs/dbraw/zinc/82/26/40/857822640.db2.gz CGQYRZSUXHVCIE-UHFFFAOYSA-N 1 3 377.573 3.584 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466032471 857925372 /nfs/dbraw/zinc/92/53/72/857925372.db2.gz AOMIAUQWYRTBBV-NNWRFLSQSA-N 1 3 386.584 3.555 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466032471 857925381 /nfs/dbraw/zinc/92/53/81/857925381.db2.gz AOMIAUQWYRTBBV-NNWRFLSQSA-N 1 3 386.584 3.555 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466032469 857925892 /nfs/dbraw/zinc/92/58/92/857925892.db2.gz AOMIAUQWYRTBBV-FCEUIQTBSA-N 1 3 386.584 3.555 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466032469 857925896 /nfs/dbraw/zinc/92/58/96/857925896.db2.gz AOMIAUQWYRTBBV-FCEUIQTBSA-N 1 3 386.584 3.555 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)CC1 ZINC000574582225 858069912 /nfs/dbraw/zinc/06/99/12/858069912.db2.gz FFMJIZYVVOIMMC-UHFFFAOYSA-N 1 3 397.485 3.926 20 0 GHADHO CSC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000442868917 858186341 /nfs/dbraw/zinc/18/63/41/858186341.db2.gz ADLKRNVEXQHMKE-QGZVFWFLSA-N 1 3 389.531 3.725 20 0 GHADHO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442869902 858187206 /nfs/dbraw/zinc/18/72/06/858187206.db2.gz QEJYYTNGBMTBKC-OAQYLSRUSA-N 1 3 387.612 3.968 20 0 GHADHO CC(C)CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000115675733 858613884 /nfs/dbraw/zinc/61/38/84/858613884.db2.gz RRRVYPJISYXDFS-FQEVSTJZSA-N 1 3 380.621 3.695 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000482643388 858718344 /nfs/dbraw/zinc/71/83/44/858718344.db2.gz RVUAQCJZBCDNND-FYYLOGMGSA-N 1 3 395.547 3.633 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000482643388 858718347 /nfs/dbraw/zinc/71/83/47/858718347.db2.gz RVUAQCJZBCDNND-FYYLOGMGSA-N 1 3 395.547 3.633 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3NC2=O)C[C@H](C)N1Cc1ccccc1 ZINC001168019413 858777520 /nfs/dbraw/zinc/77/75/20/858777520.db2.gz IWAGNXKPYGYCSU-OXHIVJRSSA-N 1 3 377.532 3.971 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1ccco1 ZINC000509616920 858812439 /nfs/dbraw/zinc/81/24/39/858812439.db2.gz YAOLFFJGUNHAPG-IZZBFERCSA-N 1 3 398.551 3.671 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccco1 ZINC000509616920 858812445 /nfs/dbraw/zinc/81/24/45/858812445.db2.gz YAOLFFJGUNHAPG-IZZBFERCSA-N 1 3 398.551 3.671 20 0 GHADHO COCCC[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157685860 858930687 /nfs/dbraw/zinc/93/06/87/858930687.db2.gz YBXBTRJTPZXUHI-MOPGFXCFSA-N 1 3 381.358 3.991 20 0 GHADHO COCCC[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157685860 858930696 /nfs/dbraw/zinc/93/06/96/858930696.db2.gz YBXBTRJTPZXUHI-MOPGFXCFSA-N 1 3 381.358 3.991 20 0 GHADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443602982 859042093 /nfs/dbraw/zinc/04/20/93/859042093.db2.gz PYXLAYLBSYJGSG-FQEVSTJZSA-N 1 3 383.580 3.548 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCN1Cc1ccccc1 ZINC000466301952 859058681 /nfs/dbraw/zinc/05/86/81/859058681.db2.gz ZIXZUIRTUNSBJL-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCN1Cc1ccccc1 ZINC000466301952 859058685 /nfs/dbraw/zinc/05/86/85/859058685.db2.gz ZIXZUIRTUNSBJL-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](NC[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754898 859126200 /nfs/dbraw/zinc/12/62/00/859126200.db2.gz BWODLBUTBNUIIL-RIFZZMRRSA-N 1 3 384.486 3.851 20 0 GHADHO C[C@H](NC[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754898 859126203 /nfs/dbraw/zinc/12/62/03/859126203.db2.gz BWODLBUTBNUIIL-RIFZZMRRSA-N 1 3 384.486 3.851 20 0 GHADHO CN(C)[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000113577949 859224826 /nfs/dbraw/zinc/22/48/26/859224826.db2.gz BYNOHMALDIFLCK-HSZRJFAPSA-N 1 3 394.563 3.595 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccccc3)C3CCCC3)CC2)CC1 ZINC000051761404 859314082 /nfs/dbraw/zinc/31/40/82/859314082.db2.gz KRMXXNYUHSYUJM-HSZRJFAPSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@@H](CC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)N(C)Cc1ccccc1 ZINC000483687507 859542484 /nfs/dbraw/zinc/54/24/84/859542484.db2.gz WCUUAQMRELCTDO-ROUUACIJSA-N 1 3 389.565 3.619 20 0 GHADHO COCc1cccc(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856559370 881436626 /nfs/dbraw/zinc/43/66/26/881436626.db2.gz GFLMZPSBINGDHO-HSZRJFAPSA-N 1 3 383.536 3.722 20 0 GHADHO COCc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856559370 881436717 /nfs/dbraw/zinc/43/67/17/881436717.db2.gz GFLMZPSBINGDHO-HSZRJFAPSA-N 1 3 383.536 3.722 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000062473658 859710914 /nfs/dbraw/zinc/71/09/14/859710914.db2.gz YZJLFHJTFUNSOJ-UHFFFAOYSA-N 1 3 394.991 3.722 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2ccnn2-c2ccccc2C)CC1 ZINC000474267911 859734288 /nfs/dbraw/zinc/73/42/88/859734288.db2.gz VFDSHKARMZLGHP-UHFFFAOYSA-N 1 3 384.568 3.751 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccnn2-c2ccccc2C)CC1 ZINC000474267911 859734295 /nfs/dbraw/zinc/73/42/95/859734295.db2.gz VFDSHKARMZLGHP-UHFFFAOYSA-N 1 3 384.568 3.751 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000484717686 860285650 /nfs/dbraw/zinc/28/56/50/860285650.db2.gz YSANPOWYNJXFEK-ZPMCFJSWSA-N 1 3 398.526 3.563 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000484717686 860285655 /nfs/dbraw/zinc/28/56/55/860285655.db2.gz YSANPOWYNJXFEK-ZPMCFJSWSA-N 1 3 398.526 3.563 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C[C@@H](C)O1 ZINC000598965551 860693156 /nfs/dbraw/zinc/69/31/56/860693156.db2.gz YOUIGVMGNSPSNF-HZPDHXFCSA-N 1 3 382.570 3.682 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856600747 881575159 /nfs/dbraw/zinc/57/51/59/881575159.db2.gz WSNZIWLQTLVGHT-HSZRJFAPSA-N 1 3 395.547 3.553 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856600747 881575167 /nfs/dbraw/zinc/57/51/67/881575167.db2.gz WSNZIWLQTLVGHT-HSZRJFAPSA-N 1 3 395.547 3.553 20 0 GHADHO CO[C@H](C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)c1ccccc1 ZINC000856604354 881582966 /nfs/dbraw/zinc/58/29/66/881582966.db2.gz NEMPDZYMDXOOML-DHIUTWEWSA-N 1 3 383.536 3.763 20 0 GHADHO CO[C@H](C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)c1ccccc1 ZINC000856604354 881582982 /nfs/dbraw/zinc/58/29/82/881582982.db2.gz NEMPDZYMDXOOML-DHIUTWEWSA-N 1 3 383.536 3.763 20 0 GHADHO Clc1ccccc1C[NH+]1CCC(CNCc2cnn(-c3ccccc3)n2)CC1 ZINC000730108406 860866617 /nfs/dbraw/zinc/86/66/17/860866617.db2.gz LRERAJZYDROYHR-UHFFFAOYSA-N 1 3 395.938 3.923 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)c2cccs2)CC1 ZINC000623342773 860890404 /nfs/dbraw/zinc/89/04/04/860890404.db2.gz NKDJICCFNTYCSX-RTBURBONSA-N 1 3 392.613 3.552 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000623342773 860890410 /nfs/dbraw/zinc/89/04/10/860890410.db2.gz NKDJICCFNTYCSX-RTBURBONSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccccc2OCc2cccnc2)C[C@H](C)O1 ZINC000062252872 863152873 /nfs/dbraw/zinc/15/28/73/863152873.db2.gz QUVXDZGLBBZIGD-PMACEKPBSA-N 1 3 383.536 3.640 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)cc3F)C2)[C@@H](C)C1 ZINC000624226091 863193809 /nfs/dbraw/zinc/19/38/09/863193809.db2.gz JQDJGBJHYJGFRV-QRFRQXIXSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)cc3F)C2)[C@@H](C)C1 ZINC000624226091 863193815 /nfs/dbraw/zinc/19/38/15/863193815.db2.gz JQDJGBJHYJGFRV-QRFRQXIXSA-N 1 3 397.966 3.784 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccsc1 ZINC000606637866 863762344 /nfs/dbraw/zinc/76/23/44/863762344.db2.gz ILNTYGOXQNEKOQ-FQEVSTJZSA-N 1 3 392.613 3.791 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccsc1 ZINC000606637866 863762353 /nfs/dbraw/zinc/76/23/53/863762353.db2.gz ILNTYGOXQNEKOQ-FQEVSTJZSA-N 1 3 392.613 3.791 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)[C@H](C)C1 ZINC000480060636 863929846 /nfs/dbraw/zinc/92/98/46/863929846.db2.gz ATCOKABKFXQAFT-QMMLZNLJSA-N 1 3 381.992 3.669 20 0 GHADHO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Cl)ccc1Cl ZINC000159206564 864067211 /nfs/dbraw/zinc/06/72/11/864067211.db2.gz XXRHGHHYPJTZJG-AWEZNQCLSA-N 1 3 379.335 3.991 20 0 GHADHO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c2ccccc21 ZINC000621751518 864398369 /nfs/dbraw/zinc/39/83/69/864398369.db2.gz IGJFNTRQOGWJJO-GMAHTHKFSA-N 1 3 377.532 3.639 20 0 GHADHO CC(C)n1cc([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000163936100 864579539 /nfs/dbraw/zinc/57/95/39/864579539.db2.gz UXERDKVVMJTDAT-OAQYLSRUSA-N 1 3 383.584 3.713 20 0 GHADHO C[C@H](NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000164188900 864598890 /nfs/dbraw/zinc/59/88/90/864598890.db2.gz NIOPKPSHGCNSMF-IBGZPJMESA-N 1 3 390.535 3.889 20 0 GHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000164452985 864614353 /nfs/dbraw/zinc/61/43/53/864614353.db2.gz FWECZAXDJQFTJF-GOSISDBHSA-N 1 3 395.613 3.632 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000480442386 864645304 /nfs/dbraw/zinc/64/53/04/864645304.db2.gz IBWXLODKCRPYKV-QGZVFWFLSA-N 1 3 389.565 3.751 20 0 GHADHO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000622344914 864944484 /nfs/dbraw/zinc/94/44/84/864944484.db2.gz KHSHHTKKNQMRBZ-DEOSSOPVSA-N 1 3 397.607 3.951 20 0 GHADHO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000622344914 864944493 /nfs/dbraw/zinc/94/44/93/864944493.db2.gz KHSHHTKKNQMRBZ-DEOSSOPVSA-N 1 3 397.607 3.951 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccc(F)cc3)C2)s1 ZINC000554851242 865041505 /nfs/dbraw/zinc/04/15/05/865041505.db2.gz FBDIIQYCGVVHKR-QGZVFWFLSA-N 1 3 389.540 3.978 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccc(F)cc3)C2)s1 ZINC000554851242 865041509 /nfs/dbraw/zinc/04/15/09/865041509.db2.gz FBDIIQYCGVVHKR-QGZVFWFLSA-N 1 3 389.540 3.978 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685440 865554339 /nfs/dbraw/zinc/55/43/39/865554339.db2.gz SCHLSDWQHPDJQY-RBBKRZOGSA-N 1 3 386.584 3.587 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685440 865554344 /nfs/dbraw/zinc/55/43/44/865554344.db2.gz SCHLSDWQHPDJQY-RBBKRZOGSA-N 1 3 386.584 3.587 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCN(C)[C@@H]3c3ccccc3)C2)CC1 ZINC000533987345 865924406 /nfs/dbraw/zinc/92/44/06/865924406.db2.gz YJTAJOXKKBWPJH-ACIOBRDBSA-N 1 3 398.595 3.585 20 0 GHADHO CC(C)N(C(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481189952 865973689 /nfs/dbraw/zinc/97/36/89/865973689.db2.gz KQRPHHKCSHXGRJ-NZQKXSOJSA-N 1 3 379.548 3.928 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H](C)C1 ZINC000153348084 866370668 /nfs/dbraw/zinc/37/06/68/866370668.db2.gz HYBDFBHSDBOVLK-NQIIRXRSSA-N 1 3 375.557 3.630 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1 ZINC000542485700 882025271 /nfs/dbraw/zinc/02/52/71/882025271.db2.gz HNCNUJGYWMFXAA-UHFFFAOYSA-N 1 3 383.536 3.605 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001170428385 882032149 /nfs/dbraw/zinc/03/21/49/882032149.db2.gz HQUWEMUAKIAZNK-FQEVSTJZSA-N 1 3 384.495 3.912 20 0 GHADHO COCC[N@H+](C)CCCN[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000153766097 867066981 /nfs/dbraw/zinc/06/69/81/867066981.db2.gz QVHPULXQDPXOML-SFHVURJKSA-N 1 3 389.565 3.754 20 0 GHADHO COCC[N@@H+](C)CCCN[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000153766097 867066997 /nfs/dbraw/zinc/06/69/97/867066997.db2.gz QVHPULXQDPXOML-SFHVURJKSA-N 1 3 389.565 3.754 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000154237612 867315434 /nfs/dbraw/zinc/31/54/34/867315434.db2.gz FIUGLAPWMCJNHW-IBGZPJMESA-N 1 3 384.593 3.805 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000154274721 867331482 /nfs/dbraw/zinc/33/14/82/867331482.db2.gz CIRXHFZGAXPNKJ-HOTGVXAUSA-N 1 3 388.383 3.766 20 0 GHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000479266597 867459394 /nfs/dbraw/zinc/45/93/94/867459394.db2.gz OYVDPZHNOFXEMB-BRWVUGGUSA-N 1 3 383.374 3.859 20 0 GHADHO COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)cc1 ZINC000857247831 882141055 /nfs/dbraw/zinc/14/10/55/882141055.db2.gz GBDKTPIRPVSUPD-FYYLOGMGSA-N 1 3 395.547 3.537 20 0 GHADHO COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857247831 882141065 /nfs/dbraw/zinc/14/10/65/882141065.db2.gz GBDKTPIRPVSUPD-FYYLOGMGSA-N 1 3 395.547 3.537 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC5(CCSCC5)C4)[C@H]3C2)cc1 ZINC000272611434 868510239 /nfs/dbraw/zinc/51/02/39/868510239.db2.gz WIRPPEWGGVDVLH-CMOCDZPBSA-N 1 3 386.605 3.931 20 0 GHADHO CCc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156968270 868515926 /nfs/dbraw/zinc/51/59/26/868515926.db2.gz BGHSVQBIXKXFQL-LPHOPBHVSA-N 1 3 385.577 3.859 20 0 GHADHO CCc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156968270 868515937 /nfs/dbraw/zinc/51/59/37/868515937.db2.gz BGHSVQBIXKXFQL-LPHOPBHVSA-N 1 3 385.577 3.859 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000457739897 868700441 /nfs/dbraw/zinc/70/04/41/868700441.db2.gz ONQPEZGHMFJFCY-OALUTQOASA-N 1 3 394.629 3.579 20 0 GHADHO CC1CCC(N2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC000524542677 869230521 /nfs/dbraw/zinc/23/05/21/869230521.db2.gz DBELTEAEELYLIZ-UHFFFAOYSA-N 1 3 383.580 3.622 20 0 GHADHO CC(C)[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000182140210 869344228 /nfs/dbraw/zinc/34/42/28/869344228.db2.gz NGDVJHSETDDKLV-OAQYLSRUSA-N 1 3 389.490 3.743 20 0 GHADHO CC[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)N1CCc2ccccc2C1 ZINC000446564919 870042036 /nfs/dbraw/zinc/04/20/36/870042036.db2.gz MNXKLINOOMAHCX-QFIPXVFZSA-N 1 3 394.563 3.749 20 0 GHADHO C[C@H](NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000248397486 870369736 /nfs/dbraw/zinc/36/97/36/870369736.db2.gz LTMVEAJUALDNIS-RQXXJAGISA-N 1 3 385.577 3.672 20 0 GHADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248407338 870384678 /nfs/dbraw/zinc/38/46/78/870384678.db2.gz UIKQBMWXFJUJDQ-QPTUXGOLSA-N 1 3 380.580 3.860 20 0 GHADHO C[C@@H](NC[C@H](C)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21)[C@@H]1COc2ccccc21 ZINC000248643345 870572678 /nfs/dbraw/zinc/57/26/78/870572678.db2.gz ZZPDGYQDRCHOGR-NUUGVNSMSA-N 1 3 380.532 3.931 20 0 GHADHO C[C@H](CN[C@@H](C)[C@@H]1COc2ccccc21)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000248643345 870572679 /nfs/dbraw/zinc/57/26/79/870572679.db2.gz ZZPDGYQDRCHOGR-NUUGVNSMSA-N 1 3 380.532 3.931 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000174126524 882428147 /nfs/dbraw/zinc/42/81/47/882428147.db2.gz IXCQAFRHUNLCGV-XXBNENTESA-N 1 3 379.548 3.873 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000174126524 882428156 /nfs/dbraw/zinc/42/81/56/882428156.db2.gz IXCQAFRHUNLCGV-XXBNENTESA-N 1 3 379.548 3.873 20 0 GHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000540171163 870655997 /nfs/dbraw/zinc/65/59/97/870655997.db2.gz TTYMGFZAIFKIFA-KURKYZTESA-N 1 3 395.975 3.845 20 0 GHADHO Brc1cccc(-c2c[nH]c(CNCC3CC[NH+](C4CC4)CC3)n2)c1 ZINC000446886039 870679796 /nfs/dbraw/zinc/67/97/96/870679796.db2.gz ZTMZOAFXRQBGCQ-UHFFFAOYSA-N 1 3 389.341 3.803 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)N2CCCC2)o1 ZINC000060354891 882434098 /nfs/dbraw/zinc/43/40/98/882434098.db2.gz UFBLWTIFMUVSMQ-LEWJYISDSA-N 1 3 381.520 3.506 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)N2CCCC2)o1 ZINC000060354891 882434109 /nfs/dbraw/zinc/43/41/09/882434109.db2.gz UFBLWTIFMUVSMQ-LEWJYISDSA-N 1 3 381.520 3.506 20 0 GHADHO Cc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000249123907 870765674 /nfs/dbraw/zinc/76/56/74/870765674.db2.gz ZREJFSGAJKCIMA-IRLDBZIGSA-N 1 3 396.535 3.502 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+][C@H]3CCCOCC3)CC2)c1 ZINC000538869166 870791155 /nfs/dbraw/zinc/79/11/55/870791155.db2.gz FVBUNGPVDRKRAX-IBGZPJMESA-N 1 3 399.501 3.766 20 0 GHADHO C[C@@H](C(=O)NCC1CCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944363 870949541 /nfs/dbraw/zinc/94/95/41/870949541.db2.gz PBVOSVGYHNZTON-IBGZPJMESA-N 1 3 386.584 3.705 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000089512906 870989877 /nfs/dbraw/zinc/98/98/77/870989877.db2.gz ZIYILKUHHXSUJZ-INIZCTEOSA-N 1 3 379.976 3.930 20 0 GHADHO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCCN3CCCC3)cc1)CC2 ZINC000090028418 871090158 /nfs/dbraw/zinc/09/01/58/871090158.db2.gz FPRNBYBICDQIKW-HSZRJFAPSA-N 1 3 377.532 3.598 20 0 GHADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028281 871090856 /nfs/dbraw/zinc/09/08/56/871090856.db2.gz RJNLSZOXCHRCER-WZONZLPQSA-N 1 3 377.532 3.535 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004728 871091361 /nfs/dbraw/zinc/09/13/61/871091361.db2.gz ONWCNYYWIOQJBG-PZJWPPBQSA-N 1 3 392.465 3.988 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004728 871091378 /nfs/dbraw/zinc/09/13/78/871091378.db2.gz ONWCNYYWIOQJBG-PZJWPPBQSA-N 1 3 392.465 3.988 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120227 871210738 /nfs/dbraw/zinc/21/07/38/871210738.db2.gz ZUGIAVBGXNQNEO-JTOYRKQZSA-N 1 3 380.532 3.688 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120227 871210747 /nfs/dbraw/zinc/21/07/47/871210747.db2.gz ZUGIAVBGXNQNEO-JTOYRKQZSA-N 1 3 380.532 3.688 20 0 GHADHO CN(C)[C@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccccc1 ZINC000540466626 871332024 /nfs/dbraw/zinc/33/20/24/871332024.db2.gz MCLUDCTWMVDBES-FCHUYYIVSA-N 1 3 379.548 3.867 20 0 GHADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(N2CCN(C(C)C)CC2)nc1 ZINC001169698576 871782449 /nfs/dbraw/zinc/78/24/49/871782449.db2.gz RTGGAZGHOBTQLI-NRFANRHFSA-N 1 3 379.552 3.852 20 0 GHADHO C[NH+](C)CCOCCN[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000447597001 871908583 /nfs/dbraw/zinc/90/85/83/871908583.db2.gz RMBFWVRRSMCPLT-LJQANCHMSA-N 1 3 377.326 3.706 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccncc2)[C@H]2CCC[C@H]21 ZINC000552046263 871931359 /nfs/dbraw/zinc/93/13/59/871931359.db2.gz BGXLDXOYJNECMI-XPWALMASSA-N 1 3 387.531 3.897 20 0 GHADHO C[N@H+]1CC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccncc2)[C@H]2CCC[C@H]21 ZINC000552046263 871931374 /nfs/dbraw/zinc/93/13/74/871931374.db2.gz BGXLDXOYJNECMI-XPWALMASSA-N 1 3 387.531 3.897 20 0 GHADHO CN1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)[C@H]2CCC[C@H]21 ZINC000552046263 871931382 /nfs/dbraw/zinc/93/13/82/871931382.db2.gz BGXLDXOYJNECMI-XPWALMASSA-N 1 3 387.531 3.897 20 0 GHADHO OC1CCC([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000552049038 871935007 /nfs/dbraw/zinc/93/50/07/871935007.db2.gz IQYXLYRRHJWOEQ-UHFFFAOYSA-N 1 3 399.501 3.501 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000618942630 872184606 /nfs/dbraw/zinc/18/46/06/872184606.db2.gz MKNWOCAVYLBNEK-WOJBJXKFSA-N 1 3 388.600 3.516 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000527066411 872549146 /nfs/dbraw/zinc/54/91/46/872549146.db2.gz NQBBUILPMZUJSZ-QPTUXGOLSA-N 1 3 394.563 3.607 20 0 GHADHO Cc1nn(C)c(CNCC2CC[NH+](Cc3cccs3)CC2)c1Br ZINC000447932444 872566995 /nfs/dbraw/zinc/56/69/95/872566995.db2.gz RXEMYHFOIDZMPS-UHFFFAOYSA-N 1 3 397.386 3.554 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000619363362 872576980 /nfs/dbraw/zinc/57/69/80/872576980.db2.gz ZWXZHEYTJNGAJO-ZIFCJYIRSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000619363362 872576993 /nfs/dbraw/zinc/57/69/93/872576993.db2.gz ZWXZHEYTJNGAJO-ZIFCJYIRSA-N 1 3 380.602 3.551 20 0 GHADHO COc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C2CC2)cc1Cl ZINC000667303754 872686355 /nfs/dbraw/zinc/68/63/55/872686355.db2.gz BEAJMGZMDLWBLB-AWEZNQCLSA-N 1 3 396.963 3.620 20 0 GHADHO COc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C2CC2)cc1Cl ZINC000667303754 872686366 /nfs/dbraw/zinc/68/63/66/872686366.db2.gz BEAJMGZMDLWBLB-AWEZNQCLSA-N 1 3 396.963 3.620 20 0 GHADHO COCCNc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000133956612 882645723 /nfs/dbraw/zinc/64/57/23/882645723.db2.gz FBVGWFRCKXAWJB-UHFFFAOYSA-N 1 3 396.579 3.565 20 0 GHADHO CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000528003811 873872781 /nfs/dbraw/zinc/87/27/81/873872781.db2.gz MOBZBLMTQMIJLY-VLVHOKLOSA-N 1 3 375.516 3.599 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000541820914 874336087 /nfs/dbraw/zinc/33/60/87/874336087.db2.gz KUMGRVVQTIMWDX-UGKGYDQZSA-N 1 3 386.584 3.504 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000449333595 874717776 /nfs/dbraw/zinc/71/77/76/874717776.db2.gz HFWDVZGNVSIMBX-DCEDVJGZSA-N 1 3 378.560 3.838 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000449333598 874717861 /nfs/dbraw/zinc/71/78/61/874717861.db2.gz HFWDVZGNVSIMBX-ZPZUNKDASA-N 1 3 378.560 3.838 20 0 GHADHO COCC1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000449346334 874738615 /nfs/dbraw/zinc/73/86/15/874738615.db2.gz ZGSYFEJSKKTHHL-OOMBGRCJSA-N 1 3 386.580 3.710 20 0 GHADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494882 874928597 /nfs/dbraw/zinc/92/85/97/874928597.db2.gz HFVJFYFLEFDVQP-HXUWFJFHSA-N 1 3 383.536 3.507 20 0 GHADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494882 874928601 /nfs/dbraw/zinc/92/86/01/874928601.db2.gz HFVJFYFLEFDVQP-HXUWFJFHSA-N 1 3 383.536 3.507 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528713727 874948938 /nfs/dbraw/zinc/94/89/38/874948938.db2.gz MLBWZBAJZNBUPA-QGZVFWFLSA-N 1 3 394.519 3.516 20 0 GHADHO C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000192471867 882926542 /nfs/dbraw/zinc/92/65/42/882926542.db2.gz PSQUJFUOSKZDOK-GBXCKJPGSA-N 1 3 379.548 3.523 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC001201955016 875953813 /nfs/dbraw/zinc/95/38/13/875953813.db2.gz YAQJTUHLFXMFQM-NRFANRHFSA-N 1 3 396.922 3.587 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC001201955016 875953815 /nfs/dbraw/zinc/95/38/15/875953815.db2.gz YAQJTUHLFXMFQM-NRFANRHFSA-N 1 3 396.922 3.587 20 0 GHADHO CC[C@H](CCc1ccccc1)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000529799328 876681242 /nfs/dbraw/zinc/68/12/42/876681242.db2.gz CKCHRDVPXIRMJD-JOCHJYFZSA-N 1 3 385.596 3.710 20 0 GHADHO CCc1ccc2nccc(N3CCC[C@H](C[N@@H+]4CCCN(C(C)=O)CC4)C3)c2c1 ZINC000450775563 876910631 /nfs/dbraw/zinc/91/06/31/876910631.db2.gz PUAJCIDLXBQRQX-OAQYLSRUSA-N 1 3 394.563 3.568 20 0 GHADHO CCc1ccc2nccc(N3CCC[C@H](C[N@H+]4CCCN(C(C)=O)CC4)C3)c2c1 ZINC000450775563 876910643 /nfs/dbraw/zinc/91/06/43/876910643.db2.gz PUAJCIDLXBQRQX-OAQYLSRUSA-N 1 3 394.563 3.568 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816430 876971739 /nfs/dbraw/zinc/97/17/39/876971739.db2.gz VOCGLFXACFNCLA-PZJWPPBQSA-N 1 3 392.547 3.779 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816430 876971749 /nfs/dbraw/zinc/97/17/49/876971749.db2.gz VOCGLFXACFNCLA-PZJWPPBQSA-N 1 3 392.547 3.779 20 0 GHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248819 877330171 /nfs/dbraw/zinc/33/01/71/877330171.db2.gz PPJGSRGCKOKERR-QFIPXVFZSA-N 1 3 396.579 3.760 20 0 GHADHO C[C@H](CN1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000530248702 877331589 /nfs/dbraw/zinc/33/15/89/877331589.db2.gz OJAXLSUEQQKMCD-BEFAXECRSA-N 1 3 381.358 3.643 20 0 GHADHO CC[C@H](c1ccc(Br)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239003 877344522 /nfs/dbraw/zinc/34/45/22/877344522.db2.gz BWMSWAYBRGCMSQ-RTBURBONSA-N 1 3 381.358 3.991 20 0 GHADHO COc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OCCC(C)C ZINC000530248112 877365181 /nfs/dbraw/zinc/36/51/81/877365181.db2.gz GETJZKWTCIFGDN-NRFANRHFSA-N 1 3 390.568 3.711 20 0 GHADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]3NCc4ccccc43)cc2F)CC1 ZINC000851630188 877843591 /nfs/dbraw/zinc/84/35/91/877843591.db2.gz IMHVIDAGSLXUDL-NRFANRHFSA-N 1 3 396.510 3.529 20 0 GHADHO CN(CCNC(=O)C1CC[NH+](C/C=C\c2ccccc2)CC1)Cc1ccccc1 ZINC000530689895 878294102 /nfs/dbraw/zinc/29/41/02/878294102.db2.gz QAPQKQKSFIUTFO-JYRVWZFOSA-N 1 3 391.559 3.660 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000537953421 878578574 /nfs/dbraw/zinc/57/85/74/878578574.db2.gz SPJRUDXYLACACV-LPHOPBHVSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000537953421 878578589 /nfs/dbraw/zinc/57/85/89/878578589.db2.gz SPJRUDXYLACACV-LPHOPBHVSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000537975193 878610288 /nfs/dbraw/zinc/61/02/88/878610288.db2.gz FLWXCZPXIWVNAN-GGAORHGYSA-N 1 3 385.596 3.522 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C[C@H](C)O1 ZINC000530939620 878776378 /nfs/dbraw/zinc/77/63/78/878776378.db2.gz GUKZADPKZNBOGR-IRXDYDNUSA-N 1 3 382.495 3.999 20 0 GHADHO CC(C)(C)OC(=O)NCC1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000853092936 878810179 /nfs/dbraw/zinc/81/01/79/878810179.db2.gz VYEGCGYSLURWBK-SYYJFZTOSA-N 1 3 379.589 3.782 20 0 GHADHO O[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1c(F)cccc1F ZINC000853120255 878827684 /nfs/dbraw/zinc/82/76/84/878827684.db2.gz JBOBUOLLEPZCHP-WIYYLYMNSA-N 1 3 386.486 3.890 20 0 GHADHO Cc1ccc(Br)cc1NC(=O)CCNC1CC[NH+](CC2CC2)CC1 ZINC000538160487 878938400 /nfs/dbraw/zinc/93/84/00/878938400.db2.gz ATIYLTVWCZDMTL-UHFFFAOYSA-N 1 3 394.357 3.550 20 0 GHADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000538160487 878938412 /nfs/dbraw/zinc/93/84/12/878938412.db2.gz ATIYLTVWCZDMTL-UHFFFAOYSA-N 1 3 394.357 3.550 20 0 GHADHO OCCC[C@@H]1CCN(Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](CCCO)C3)c2)C1 ZINC000452119786 878967460 /nfs/dbraw/zinc/96/74/60/878967460.db2.gz LDMWASUQTNAHRM-KDURUIRLSA-N 1 3 394.987 3.529 20 0 GHADHO OCCC[C@@H]1CCN(Cc2cc(Cl)cc(C[N@H+]3CC[C@H](CCCO)C3)c2)C1 ZINC000452119786 878967475 /nfs/dbraw/zinc/96/74/75/878967475.db2.gz LDMWASUQTNAHRM-KDURUIRLSA-N 1 3 394.987 3.529 20 0 GHADHO OCCC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(CN3CC[C@H](CCCO)C3)c2)C1 ZINC000452119786 878967493 /nfs/dbraw/zinc/96/74/93/878967493.db2.gz LDMWASUQTNAHRM-KDURUIRLSA-N 1 3 394.987 3.529 20 0 GHADHO OCCC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(CN3CC[C@H](CCCO)C3)c2)C1 ZINC000452119786 878967509 /nfs/dbraw/zinc/96/75/09/878967509.db2.gz LDMWASUQTNAHRM-KDURUIRLSA-N 1 3 394.987 3.529 20 0 GHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)C1 ZINC000643083068 912454047 /nfs/dbraw/zinc/45/40/47/912454047.db2.gz PXGYTOPUESNEGE-JTHBVZDNSA-N 1 3 393.531 3.657 20 0 GHADHO CC[NH+]1CCC(N(C)C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000531381774 879745841 /nfs/dbraw/zinc/74/58/41/879745841.db2.gz HTYQSQHBJZOVNT-UKILVPOCSA-N 1 3 396.575 3.878 20 0 GHADHO C[C@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139793 879826970 /nfs/dbraw/zinc/82/69/70/879826970.db2.gz VZVJODSXSVXQCG-ZMUKGBGYSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139793 879827220 /nfs/dbraw/zinc/82/72/20/879827220.db2.gz VZVJODSXSVXQCG-ZMUKGBGYSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CN1CCCCC1 ZINC000531684665 880316932 /nfs/dbraw/zinc/31/69/32/880316932.db2.gz CVMJJWQJASTOAF-QZTJIDSGSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](CN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000531684665 880316940 /nfs/dbraw/zinc/31/69/40/880316940.db2.gz CVMJJWQJASTOAF-QZTJIDSGSA-N 1 3 379.976 3.789 20 0 GHADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1ccccc1F ZINC000453066838 880387010 /nfs/dbraw/zinc/38/70/10/880387010.db2.gz LJHCRRLYBMCZQU-YMPZKCBVSA-N 1 3 395.522 3.588 20 0 GHADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1ccccc1F ZINC000453066838 880387026 /nfs/dbraw/zinc/38/70/26/880387026.db2.gz LJHCRRLYBMCZQU-YMPZKCBVSA-N 1 3 395.522 3.588 20 0 GHADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1ccccc1F ZINC000453066830 880387438 /nfs/dbraw/zinc/38/74/38/880387438.db2.gz LJHCRRLYBMCZQU-MZYLBHOOSA-N 1 3 395.522 3.588 20 0 GHADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1ccccc1F ZINC000453066830 880387446 /nfs/dbraw/zinc/38/74/46/880387446.db2.gz LJHCRRLYBMCZQU-MZYLBHOOSA-N 1 3 395.522 3.588 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)c2)n1 ZINC000453114252 880484527 /nfs/dbraw/zinc/48/45/27/880484527.db2.gz SWJGAQALVQYYCF-TZRRMPRUSA-N 1 3 387.531 3.800 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)c2)n1 ZINC000453114252 880484532 /nfs/dbraw/zinc/48/45/32/880484532.db2.gz SWJGAQALVQYYCF-TZRRMPRUSA-N 1 3 387.531 3.800 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCN(c4ccccn4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453172311 880575464 /nfs/dbraw/zinc/57/54/64/880575464.db2.gz MUQVVKHSIZGFMQ-LDVJMBRRSA-N 1 3 376.548 3.693 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCN(c4ccccn4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453172311 880575471 /nfs/dbraw/zinc/57/54/71/880575471.db2.gz MUQVVKHSIZGFMQ-LDVJMBRRSA-N 1 3 376.548 3.693 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197631 880603116 /nfs/dbraw/zinc/60/31/16/880603116.db2.gz NZPCFBIROWEZIO-PGRDOPGGSA-N 1 3 390.531 3.505 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197631 880603121 /nfs/dbraw/zinc/60/31/21/880603121.db2.gz NZPCFBIROWEZIO-PGRDOPGGSA-N 1 3 390.531 3.505 20 0 GHADHO CC(C)[C@H](CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl)[NH+]1CCCC1 ZINC000531947230 880805039 /nfs/dbraw/zinc/80/50/39/880805039.db2.gz MYYNALILOBNSSO-XLIONFOSSA-N 1 3 379.976 3.787 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000531955929 880817526 /nfs/dbraw/zinc/81/75/26/880817526.db2.gz OICYKJLLLSNRSE-AWEZNQCLSA-N 1 3 383.458 3.887 20 0 GHADHO CC[C@@H]1C[C@H]([NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)CCO1 ZINC001170214472 881217857 /nfs/dbraw/zinc/21/78/57/881217857.db2.gz PIOZGHFJKKBAAZ-GUDVDZBRSA-N 1 3 378.582 3.761 20 0 GHADHO C[C@@H](CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC000556983948 881291505 /nfs/dbraw/zinc/29/15/05/881291505.db2.gz QXTJDZWKLUXKDL-ICSRJNTNSA-N 1 3 393.522 3.525 20 0 GHADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc3oc(=O)n(C)c3c2)ccc1OC ZINC000858538242 883183490 /nfs/dbraw/zinc/18/34/90/883183490.db2.gz LDDOBKFEXZDZAY-MRXNPFEDSA-N 1 3 397.519 3.833 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000556217607 884116854 /nfs/dbraw/zinc/11/68/54/884116854.db2.gz NFWWVOHCMYAESI-REWPJTCUSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@H](NCc1cccc(N2CCOCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556217607 884116865 /nfs/dbraw/zinc/11/68/65/884116865.db2.gz NFWWVOHCMYAESI-REWPJTCUSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@H](NCc1cccc(N2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556217607 884116871 /nfs/dbraw/zinc/11/68/71/884116871.db2.gz NFWWVOHCMYAESI-REWPJTCUSA-N 1 3 379.548 3.523 20 0 GHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233504 884184284 /nfs/dbraw/zinc/18/42/84/884184284.db2.gz PWVPDALHJXLQHF-YPAWHYETSA-N 1 3 386.580 3.708 20 0 GHADHO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1Cl ZINC000130455181 884665926 /nfs/dbraw/zinc/66/59/26/884665926.db2.gz SOBAOARFAKUVCN-AWEZNQCLSA-N 1 3 379.335 3.991 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000666392194 884917144 /nfs/dbraw/zinc/91/71/44/884917144.db2.gz AVVHUHBQKOLYKN-LBPRGKRZSA-N 1 3 376.879 3.671 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000666392194 884917151 /nfs/dbraw/zinc/91/71/51/884917151.db2.gz AVVHUHBQKOLYKN-LBPRGKRZSA-N 1 3 376.879 3.671 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000763433417 885101963 /nfs/dbraw/zinc/10/19/63/885101963.db2.gz RHSIVWINFWDUSS-GCJKJVERSA-N 1 3 390.568 3.714 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000763433417 885101970 /nfs/dbraw/zinc/10/19/70/885101970.db2.gz RHSIVWINFWDUSS-GCJKJVERSA-N 1 3 390.568 3.714 20 0 GHADHO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000303009595 885422277 /nfs/dbraw/zinc/42/22/77/885422277.db2.gz MKZUEHWPHJZIJV-QHCPKHFHSA-N 1 3 377.532 3.849 20 0 GHADHO Cc1ncc2ccc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)cc2n1 ZINC001170528167 885541287 /nfs/dbraw/zinc/54/12/87/885541287.db2.gz JEHDMETWOWGLEO-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO C[S@@](=N)(=O)c1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1 ZINC001170529177 885604498 /nfs/dbraw/zinc/60/44/98/885604498.db2.gz YBCQMMFEPWWYRI-MUUNZHRXSA-N 1 3 396.560 3.632 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000303515126 885605340 /nfs/dbraw/zinc/60/53/40/885605340.db2.gz XSTYQGBDCXPANY-HXUWFJFHSA-N 1 3 396.579 3.847 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000303515126 885605342 /nfs/dbraw/zinc/60/53/42/885605342.db2.gz XSTYQGBDCXPANY-HXUWFJFHSA-N 1 3 396.579 3.847 20 0 GHADHO CC(C)CCN(CCC(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127472293 887063960 /nfs/dbraw/zinc/06/39/60/887063960.db2.gz DATYWNGCACGAEZ-UHFFFAOYSA-N 1 3 380.621 3.649 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cnc2ccsc2c1 ZINC000397647938 888232505 /nfs/dbraw/zinc/23/25/05/888232505.db2.gz VPVNQFUZQYVVDD-KRWDZBQOSA-N 1 3 381.545 3.974 20 0 GHADHO C[C@H](NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000865524846 888409266 /nfs/dbraw/zinc/40/92/66/888409266.db2.gz OMTKIFSZKBJQCN-ARFHVFGLSA-N 1 3 389.531 3.778 20 0 GHADHO C[C@H](NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524846 888409274 /nfs/dbraw/zinc/40/92/74/888409274.db2.gz OMTKIFSZKBJQCN-ARFHVFGLSA-N 1 3 389.531 3.778 20 0 GHADHO Cc1ccccc1[C@H](OC[C@@H](O)CNC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000644513462 913325656 /nfs/dbraw/zinc/32/56/56/913325656.db2.gz JSXBGOODSDPOMM-UKILVPOCSA-N 1 3 396.575 3.924 20 0 GHADHO C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2F)[C@@H]1c1cccs1 ZINC000644573947 913375247 /nfs/dbraw/zinc/37/52/47/913375247.db2.gz BDGLXVOPHDQKCK-FOIQADDNSA-N 1 3 375.513 3.889 20 0 GHADHO C[N@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2F)[C@@H]1c1cccs1 ZINC000644573947 913375270 /nfs/dbraw/zinc/37/52/70/913375270.db2.gz BDGLXVOPHDQKCK-FOIQADDNSA-N 1 3 375.513 3.889 20 0 GHADHO CN1CCC(N(Cc2ccco2)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000127220722 890957200 /nfs/dbraw/zinc/95/72/00/890957200.db2.gz NBLNKWAHLBBQAF-UHFFFAOYSA-N 1 3 390.572 3.540 20 0 GHADHO CN1CCC(N(Cc2ccco2)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000127220722 890957205 /nfs/dbraw/zinc/95/72/05/890957205.db2.gz NBLNKWAHLBBQAF-UHFFFAOYSA-N 1 3 390.572 3.540 20 0 GHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(CN(C)C)c1 ZINC000075537014 891309168 /nfs/dbraw/zinc/30/91/68/891309168.db2.gz AHUJNRJALXARQK-QFIPXVFZSA-N 1 3 379.548 3.732 20 0 GHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(CN(C)C)c1 ZINC000075537014 891309184 /nfs/dbraw/zinc/30/91/84/891309184.db2.gz AHUJNRJALXARQK-QFIPXVFZSA-N 1 3 379.548 3.732 20 0 GHADHO CCO[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000813881341 892063916 /nfs/dbraw/zinc/06/39/16/892063916.db2.gz OUHLYUAIFSQQTJ-JRPXHMSNSA-N 1 3 384.564 3.888 20 0 GHADHO CCO[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000813881341 892063931 /nfs/dbraw/zinc/06/39/31/892063931.db2.gz OUHLYUAIFSQQTJ-JRPXHMSNSA-N 1 3 384.564 3.888 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc(Cl)n1 ZINC000825720786 892069920 /nfs/dbraw/zinc/06/99/20/892069920.db2.gz DXHIQYZNRBWQRK-SFHVURJKSA-N 1 3 392.975 3.738 20 0 GHADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934382 893440332 /nfs/dbraw/zinc/44/03/32/893440332.db2.gz HYFSCTQJNDNTEM-UWJYYQICSA-N 1 3 387.568 3.752 20 0 GHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934382 893440337 /nfs/dbraw/zinc/44/03/37/893440337.db2.gz HYFSCTQJNDNTEM-UWJYYQICSA-N 1 3 387.568 3.752 20 0 GHADHO C[N@@H+]1CC[C@@H](NCc2ccc(CN3CCCC3=O)cc2)C[C@@H]1c1ccccc1 ZINC000556058434 893578305 /nfs/dbraw/zinc/57/83/05/893578305.db2.gz IQEVPMJFWIFECA-DHIUTWEWSA-N 1 3 377.532 3.734 20 0 GHADHO C[N@H+]1CC[C@@H](NCc2ccc(CN3CCCC3=O)cc2)C[C@@H]1c1ccccc1 ZINC000556058434 893578315 /nfs/dbraw/zinc/57/83/15/893578315.db2.gz IQEVPMJFWIFECA-DHIUTWEWSA-N 1 3 377.532 3.734 20 0 GHADHO CCOc1ccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000536708872 893615723 /nfs/dbraw/zinc/61/57/23/893615723.db2.gz ZHOHDNOILXELKT-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO CCOc1ccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000536708872 893615729 /nfs/dbraw/zinc/61/57/29/893615729.db2.gz ZHOHDNOILXELKT-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO CCOc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000536708872 893615738 /nfs/dbraw/zinc/61/57/38/893615738.db2.gz ZHOHDNOILXELKT-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO Cc1cc(Cl)ccc1CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000129566534 893641586 /nfs/dbraw/zinc/64/15/86/893641586.db2.gz XANMTRHHARUFMG-HXUWFJFHSA-N 1 3 385.939 3.636 20 0 GHADHO Cc1cc(Cl)ccc1CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000129566534 893641592 /nfs/dbraw/zinc/64/15/92/893641592.db2.gz XANMTRHHARUFMG-HXUWFJFHSA-N 1 3 385.939 3.636 20 0 GHADHO Cc1ncc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439151 893726124 /nfs/dbraw/zinc/72/61/24/893726124.db2.gz FTOPRXHEOGXKPF-QFBILLFUSA-N 1 3 380.458 3.920 20 0 GHADHO Cc1ncc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439151 893726132 /nfs/dbraw/zinc/72/61/32/893726132.db2.gz FTOPRXHEOGXKPF-QFBILLFUSA-N 1 3 380.458 3.920 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3c(OC(F)F)ccc4ccccc43)CC2)CC1 ZINC000877748152 893788188 /nfs/dbraw/zinc/78/81/88/893788188.db2.gz UIINFZKKBWNZRG-UHFFFAOYSA-N 1 3 389.490 3.653 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000563506642 893843740 /nfs/dbraw/zinc/84/37/40/893843740.db2.gz UMKWGCJPAOMXJA-OAQYLSRUSA-N 1 3 378.520 3.712 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000563506642 893843761 /nfs/dbraw/zinc/84/37/61/893843761.db2.gz UMKWGCJPAOMXJA-OAQYLSRUSA-N 1 3 378.520 3.712 20 0 GHADHO CCOc1cc(C[NH2+]CCCCC[NH+]2CCCC2)cc(Br)c1[O-] ZINC000459599183 893882096 /nfs/dbraw/zinc/88/20/96/893882096.db2.gz XQOVNZOGCODUAM-UHFFFAOYSA-N 1 3 385.346 3.909 20 0 GHADHO C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000536864236 893960721 /nfs/dbraw/zinc/96/07/21/893960721.db2.gz RQVZOFYWBFUDSN-IBGZPJMESA-N 1 3 397.538 3.762 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1c1ccccc1 ZINC000645454296 913908036 /nfs/dbraw/zinc/90/80/36/913908036.db2.gz YUJHNLPTCSFCML-GVAUOCQISA-N 1 3 393.575 3.703 20 0 GHADHO COc1cc(C)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000564538449 895063833 /nfs/dbraw/zinc/06/38/33/895063833.db2.gz WIYBSESAZHAKIL-RBBKRZOGSA-N 1 3 380.532 3.966 20 0 GHADHO COc1cc(C)c(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000564538449 895063851 /nfs/dbraw/zinc/06/38/51/895063851.db2.gz WIYBSESAZHAKIL-RBBKRZOGSA-N 1 3 380.532 3.966 20 0 GHADHO c1cc([C@@H]2CCN(Cc3cncc(C[N@@H+]4CC[C@@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665023 895165372 /nfs/dbraw/zinc/16/53/72/895165372.db2.gz DCFZKJCIOUUTMB-JWQCQUIFSA-N 1 3 399.542 3.851 20 0 GHADHO c1cc([C@@H]2CCN(Cc3cncc(C[N@H+]4CC[C@@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665023 895165378 /nfs/dbraw/zinc/16/53/78/895165378.db2.gz DCFZKJCIOUUTMB-JWQCQUIFSA-N 1 3 399.542 3.851 20 0 GHADHO COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000564988666 895339352 /nfs/dbraw/zinc/33/93/52/895339352.db2.gz MWLWDAOLYLEMSD-QTEQDKRBSA-N 1 3 393.531 3.697 20 0 GHADHO CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1=O ZINC000817589405 895757600 /nfs/dbraw/zinc/75/76/00/895757600.db2.gz NIMWKMFXTCTIJR-OALUTQOASA-N 1 3 387.568 3.590 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(OCc2ccccc2)c1 ZINC000817902620 895953628 /nfs/dbraw/zinc/95/36/28/895953628.db2.gz VLUKAHNRQHUQIM-UEQSERJNSA-N 1 3 380.532 3.809 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818968704 896327729 /nfs/dbraw/zinc/32/77/29/896327729.db2.gz FOMLEQVLWHYITH-SFHVURJKSA-N 1 3 387.337 3.648 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC000819327554 896572750 /nfs/dbraw/zinc/57/27/50/896572750.db2.gz FRJFVCPDKXQIRQ-GLCCWIKHSA-N 1 3 380.532 3.602 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC000819327554 896572763 /nfs/dbraw/zinc/57/27/63/896572763.db2.gz FRJFVCPDKXQIRQ-GLCCWIKHSA-N 1 3 380.532 3.602 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC000566792012 896577445 /nfs/dbraw/zinc/57/74/45/896577445.db2.gz IINJWCGDWLKCKA-WNMCAHLPSA-N 1 3 394.559 3.677 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)cc1 ZINC000566792012 896577456 /nfs/dbraw/zinc/57/74/56/896577456.db2.gz IINJWCGDWLKCKA-WNMCAHLPSA-N 1 3 394.559 3.677 20 0 GHADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883207170 897370657 /nfs/dbraw/zinc/37/06/57/897370657.db2.gz HKLBWHLWVMMOLT-ZLNRFVROSA-N 1 3 390.543 3.651 20 0 GHADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883207171 897371386 /nfs/dbraw/zinc/37/13/86/897371386.db2.gz HKLBWHLWVMMOLT-ZRBLBEILSA-N 1 3 390.543 3.651 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000569028889 898285852 /nfs/dbraw/zinc/28/58/52/898285852.db2.gz NAKDEUVCXVVLSY-GHTZIAJQSA-N 1 3 389.609 3.782 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000569028889 898285868 /nfs/dbraw/zinc/28/58/68/898285868.db2.gz NAKDEUVCXVVLSY-GHTZIAJQSA-N 1 3 389.609 3.782 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000569504378 898721825 /nfs/dbraw/zinc/72/18/25/898721825.db2.gz VOMDPGYSVMNPBI-UHFFFAOYSA-N 1 3 381.923 3.638 20 0 GHADHO Clc1cccc2c1CC[C@@H]([N@H+]1CCc3ncc(CN4CCCC4)n3CC1)C2 ZINC001171041508 899352971 /nfs/dbraw/zinc/35/29/71/899352971.db2.gz ACLKGIKNOWNNCY-GOSISDBHSA-N 1 3 384.955 3.548 20 0 GHADHO Clc1cccc2c1CC[C@@H]([N@@H+]1CCc3ncc(CN4CCCC4)n3CC1)C2 ZINC001171041508 899352981 /nfs/dbraw/zinc/35/29/81/899352981.db2.gz ACLKGIKNOWNNCY-GOSISDBHSA-N 1 3 384.955 3.548 20 0 GHADHO CC(C)CC(=O)N1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886516378 901112635 /nfs/dbraw/zinc/11/26/35/901112635.db2.gz FUXMHHFKRDEIID-WWNPGLIZSA-N 1 3 383.580 3.666 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000886709646 901239627 /nfs/dbraw/zinc/23/96/27/901239627.db2.gz VMXSWYGGNJELRV-FCEUIQTBSA-N 1 3 378.601 3.985 20 0 GHADHO C[C@@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000845953410 902527836 /nfs/dbraw/zinc/52/78/36/902527836.db2.gz HUFUAGCYJYFMSF-RRENTHDGSA-N 1 3 379.589 3.922 20 0 GHADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000577163030 902556175 /nfs/dbraw/zinc/55/61/75/902556175.db2.gz OMLCDICPWRLMOQ-QFIPXVFZSA-N 1 3 398.595 3.551 20 0 GHADHO C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000128491864 902676088 /nfs/dbraw/zinc/67/60/88/902676088.db2.gz TVUAKQQZBPQGIK-LJQANCHMSA-N 1 3 395.547 3.600 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000779014919 902867578 /nfs/dbraw/zinc/86/75/78/902867578.db2.gz RKENETOHJGKUPY-DOTOQJQBSA-N 1 3 388.556 3.550 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000779033448 903268451 /nfs/dbraw/zinc/26/84/51/903268451.db2.gz MFVZGWATJGFSCD-ZGXWSNOMSA-N 1 3 397.604 3.549 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000578178643 903590177 /nfs/dbraw/zinc/59/01/77/903590177.db2.gz CHMHRENEOYLQIC-JOCHJYFZSA-N 1 3 388.600 3.660 20 0 GHADHO CN(c1ccccc1CN[C@H](CCCO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000150979433 904052338 /nfs/dbraw/zinc/05/23/38/904052338.db2.gz GKQSXBMCMSAFCY-HSZRJFAPSA-N 1 3 381.564 3.820 20 0 GHADHO CCOc1cccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000773001415 904356683 /nfs/dbraw/zinc/35/66/83/904356683.db2.gz SAOLDRAVKWBGFU-LJQANCHMSA-N 1 3 395.547 3.762 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000773014179 904374551 /nfs/dbraw/zinc/37/45/51/904374551.db2.gz ITCADQQUNMWUBG-JCGIZDLHSA-N 1 3 389.367 3.753 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000579372116 904550458 /nfs/dbraw/zinc/55/04/58/904550458.db2.gz JJXGFDMIRQKLPN-MRXNPFEDSA-N 1 3 377.960 3.714 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1(C)C ZINC001171632058 904853584 /nfs/dbraw/zinc/85/35/84/904853584.db2.gz UOZFZAKAHVTNCQ-SJLPKXTDSA-N 1 3 379.589 3.969 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1(C)C ZINC001171632058 904853598 /nfs/dbraw/zinc/85/35/98/904853598.db2.gz UOZFZAKAHVTNCQ-SJLPKXTDSA-N 1 3 379.589 3.969 20 0 GHADHO CN1C(C)(C)CC([NH2+]CC2CCN(C(=O)c3cccc(F)c3)CC2)CC1(C)C ZINC001171627124 904890422 /nfs/dbraw/zinc/89/04/22/904890422.db2.gz KZCLDRCDQJBNCT-UHFFFAOYSA-N 1 3 389.559 3.919 20 0 GHADHO C[NH+]1C(C)(C)CC(N2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC001171641088 904930488 /nfs/dbraw/zinc/93/04/88/904930488.db2.gz CJXNFKCXVZBMKL-SJORKVTESA-N 1 3 379.589 3.969 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC001171641088 904930497 /nfs/dbraw/zinc/93/04/97/904930497.db2.gz CJXNFKCXVZBMKL-SJORKVTESA-N 1 3 379.589 3.969 20 0 GHADHO CN1C(C)(C)CC([N@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC001171641088 904930504 /nfs/dbraw/zinc/93/05/04/904930504.db2.gz CJXNFKCXVZBMKL-SJORKVTESA-N 1 3 379.589 3.969 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CN1Cc1ccccc1 ZINC001171742303 905031336 /nfs/dbraw/zinc/03/13/36/905031336.db2.gz WXZSWUAYHGQMKA-GBXCKJPGSA-N 1 3 378.564 3.546 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876436 905080904 /nfs/dbraw/zinc/08/09/04/905080904.db2.gz BLTJTRVJTFVMQO-OFNKIYASSA-N 1 3 379.548 3.778 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876436 905080920 /nfs/dbraw/zinc/08/09/20/905080920.db2.gz BLTJTRVJTFVMQO-OFNKIYASSA-N 1 3 379.548 3.778 20 0 GHADHO CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979073 905228219 /nfs/dbraw/zinc/22/82/19/905228219.db2.gz KZBUMVVGUNAJDM-XZOQPEGZSA-N 1 3 391.559 3.934 20 0 GHADHO CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979073 905228237 /nfs/dbraw/zinc/22/82/37/905228237.db2.gz KZBUMVVGUNAJDM-XZOQPEGZSA-N 1 3 391.559 3.934 20 0 GHADHO CC1(C)C[C@H](N2CC[C@]3(CCN3c3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171981885 905235980 /nfs/dbraw/zinc/23/59/80/905235980.db2.gz QVWVFFNEJWLAGM-QPPBQGQZSA-N 1 3 391.563 3.574 20 0 GHADHO CC1(C)C[C@H](N2CC[C@]3(CCN3c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981885 905235988 /nfs/dbraw/zinc/23/59/88/905235988.db2.gz QVWVFFNEJWLAGM-QPPBQGQZSA-N 1 3 391.563 3.574 20 0 GHADHO COc1ccc(C[C@@H](CO)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172072905 905278828 /nfs/dbraw/zinc/27/88/28/905278828.db2.gz NWKALNYFPKUVOQ-XQUALCHDSA-N 1 3 394.559 3.774 20 0 GHADHO COc1ccc(C[C@@H](CO)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172072905 905278849 /nfs/dbraw/zinc/27/88/49/905278849.db2.gz NWKALNYFPKUVOQ-XQUALCHDSA-N 1 3 394.559 3.774 20 0 GHADHO OC[C@@H](Cc1cccc(F)c1)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076298 905286866 /nfs/dbraw/zinc/28/68/66/905286866.db2.gz HRWDQJJEPNLEDJ-JLLPCOHGSA-N 1 3 382.523 3.904 20 0 GHADHO OC[C@@H](Cc1cccc(F)c1)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076298 905286886 /nfs/dbraw/zinc/28/68/86/905286886.db2.gz HRWDQJJEPNLEDJ-JLLPCOHGSA-N 1 3 382.523 3.904 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@H]2CCN(Cc4cccnc4)C2)C3)cc1 ZINC001172064322 905329150 /nfs/dbraw/zinc/32/91/50/905329150.db2.gz AAXVALNYZRHLTG-OJJQZRKESA-N 1 3 390.575 3.831 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@H]2CCN(Cc4cccnc4)C2)C3)cc1 ZINC001172064322 905329164 /nfs/dbraw/zinc/32/91/64/905329164.db2.gz AAXVALNYZRHLTG-OJJQZRKESA-N 1 3 390.575 3.831 20 0 GHADHO Cc1nc([C@H]2C[C@@H]3CCN([C@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C[C@H]3O2)sc1C ZINC001172119149 905373914 /nfs/dbraw/zinc/37/39/14/905373914.db2.gz SUXWSSOIARIJPF-VTYCOLDWSA-N 1 3 375.582 3.927 20 0 GHADHO Cc1nc([C@H]2C[C@@H]3CCN([C@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@H]3O2)sc1C ZINC001172119149 905373929 /nfs/dbraw/zinc/37/39/29/905373929.db2.gz SUXWSSOIARIJPF-VTYCOLDWSA-N 1 3 375.582 3.927 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H](N2CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172609954 905668855 /nfs/dbraw/zinc/66/88/55/905668855.db2.gz SKRXASKDRMVWQV-AEFFLSMTSA-N 1 3 398.469 3.773 20 0 GHADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172864105 905918282 /nfs/dbraw/zinc/91/82/82/905918282.db2.gz UFDSOYYDCOLLHQ-QGZVFWFLSA-N 1 3 389.946 3.947 20 0 GHADHO O=C(c1ccc(F)cc1)N1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001173002268 906076955 /nfs/dbraw/zinc/07/69/55/906076955.db2.gz UBANHHIFHOIIJW-IBGZPJMESA-N 1 3 399.554 3.841 20 0 GHADHO C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178444085 906345112 /nfs/dbraw/zinc/34/51/12/906345112.db2.gz AYPULEUNHSJRIY-GOSISDBHSA-N 1 3 381.520 3.605 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]13)CC2 ZINC001173599840 906552886 /nfs/dbraw/zinc/55/28/86/906552886.db2.gz RNKBOWLYYSQNGP-BUFRVKPJSA-N 1 3 396.575 3.999 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)cc1 ZINC001173726310 906690250 /nfs/dbraw/zinc/69/02/50/906690250.db2.gz VYWKMCQFUVGJHB-IBGZPJMESA-N 1 3 396.531 3.985 20 0 GHADHO Brc1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000180124062 906693651 /nfs/dbraw/zinc/69/36/51/906693651.db2.gz WFCNRAMFHGNZES-AUUYWEPGSA-N 1 3 379.342 3.527 20 0 GHADHO C[NH2+]CCOCCN(C)Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000629653735 906931123 /nfs/dbraw/zinc/93/11/23/906931123.db2.gz MOEPFPQOWYWGFZ-UHFFFAOYSA-N 1 3 378.948 3.626 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OCC ZINC000182264890 907172982 /nfs/dbraw/zinc/17/29/82/907172982.db2.gz GRACMTHQUPMOAL-GCJKJVERSA-N 1 3 398.547 3.901 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OCC ZINC000182264890 907172991 /nfs/dbraw/zinc/17/29/91/907172991.db2.gz GRACMTHQUPMOAL-GCJKJVERSA-N 1 3 398.547 3.901 20 0 GHADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCCc4ncccc43)C3(C2)CCOCC3)cc1 ZINC000631634899 907785134 /nfs/dbraw/zinc/78/51/34/907785134.db2.gz NWWXAKDUCZVYLP-URXFXBBRSA-N 1 3 391.559 3.977 20 0 GHADHO OC1(c2cccnc2)CCC([NH2+][C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000186351297 907912085 /nfs/dbraw/zinc/91/20/85/907912085.db2.gz YLGYMIRPMFTOJT-DKSSKMOQSA-N 1 3 391.559 3.712 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](CN1CC[C@@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002910 908359031 /nfs/dbraw/zinc/35/90/31/908359031.db2.gz PBDDXVGZISVHMQ-ISKFKSNPSA-N 1 3 378.516 3.541 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002910 908359046 /nfs/dbraw/zinc/35/90/46/908359046.db2.gz PBDDXVGZISVHMQ-ISKFKSNPSA-N 1 3 378.516 3.541 20 0 GHADHO CCCN1CCC([NH2+]Cc2cc(C)c(I)cc2C)CC1 ZINC001177127985 908400361 /nfs/dbraw/zinc/40/03/61/908400361.db2.gz ZTODCOBHIZQQCT-UHFFFAOYSA-N 1 3 386.321 3.872 20 0 GHADHO CC(C)c1nc(CNCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccn21 ZINC001177235306 908476369 /nfs/dbraw/zinc/47/63/69/908476369.db2.gz CBPGFKWRXUPJAC-UHFFFAOYSA-N 1 3 391.563 3.760 20 0 GHADHO COc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)c(C(F)(F)F)c1 ZINC001177587080 908651533 /nfs/dbraw/zinc/65/15/33/908651533.db2.gz WIFYWSQATYHGBW-UHFFFAOYSA-N 1 3 382.426 3.944 20 0 GHADHO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000801730359 921431540 /nfs/dbraw/zinc/43/15/40/921431540.db2.gz HMQFYENHVMBUMS-XMMPIXPASA-N 1 3 389.547 3.886 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000268811390 910029605 /nfs/dbraw/zinc/02/96/05/910029605.db2.gz UDTHQMIJHNAVIZ-AVRDEDQJSA-N 1 3 375.520 3.718 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000268811390 910029622 /nfs/dbraw/zinc/02/96/22/910029622.db2.gz UDTHQMIJHNAVIZ-AVRDEDQJSA-N 1 3 375.520 3.718 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000268811390 910029645 /nfs/dbraw/zinc/02/96/45/910029645.db2.gz UDTHQMIJHNAVIZ-AVRDEDQJSA-N 1 3 375.520 3.718 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000268826380 910035017 /nfs/dbraw/zinc/03/50/17/910035017.db2.gz ZEYCBFWEHUTMST-XMSQKQJNSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268826380 910035026 /nfs/dbraw/zinc/03/50/26/910035026.db2.gz ZEYCBFWEHUTMST-XMSQKQJNSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268826380 910035038 /nfs/dbraw/zinc/03/50/38/910035038.db2.gz ZEYCBFWEHUTMST-XMSQKQJNSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1ccc(OC(F)F)c(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271187307 910810184 /nfs/dbraw/zinc/81/01/84/910810184.db2.gz DZSGRFHZLVVHQI-UHFFFAOYSA-N 1 3 381.511 3.587 20 0 GHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926673 921634945 /nfs/dbraw/zinc/63/49/45/921634945.db2.gz YOYHGTALFVNAMS-QUCCMNQESA-N 1 3 379.589 3.687 20 0 GHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926673 921634954 /nfs/dbraw/zinc/63/49/54/921634954.db2.gz YOYHGTALFVNAMS-QUCCMNQESA-N 1 3 379.589 3.687 20 0 GHADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000641857918 911552405 /nfs/dbraw/zinc/55/24/05/911552405.db2.gz LGEGJHIGRMUORU-OAHLLOKOSA-N 1 3 375.340 3.538 20 0 GHADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000641857918 911552414 /nfs/dbraw/zinc/55/24/14/911552414.db2.gz LGEGJHIGRMUORU-OAHLLOKOSA-N 1 3 375.340 3.538 20 0 GHADHO CC(C)N(C)c1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000284147980 911770165 /nfs/dbraw/zinc/77/01/65/911770165.db2.gz VMJGBGIVAXPNQI-UHFFFAOYSA-N 1 3 382.552 3.689 20 0 GHADHO CN1C[C@@H](C[NH2+]Cc2cnc3ccc(Br)cn23)[C@H](c2ccccc2)C1 ZINC000647249013 915105890 /nfs/dbraw/zinc/10/58/90/915105890.db2.gz XMDTVDFKLNLKRE-APWZRJJASA-N 1 3 399.336 3.532 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1CN1CCCCC1 ZINC000775369872 917229314 /nfs/dbraw/zinc/22/93/14/917229314.db2.gz BCDMCEQZLZGPLR-HTAPYJJXSA-N 1 3 394.563 3.988 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)cc1CN1CCCCC1 ZINC000775392745 917379421 /nfs/dbraw/zinc/37/94/21/917379421.db2.gz APZRUTZDARRXAF-XMSQKQJNSA-N 1 3 391.625 3.769 20 0 GHADHO CN(Cc1cc(C[N@H+](C)C[C@H]2CCCOC2)ccc1F)C[C@@H]1CCCOC1 ZINC000297378695 919280012 /nfs/dbraw/zinc/28/00/12/919280012.db2.gz DFVYNVWSPWGCPQ-UXHICEINSA-N 1 3 378.532 3.543 20 0 GHADHO CN(Cc1cc(C[N@@H+](C)C[C@H]2CCCOC2)ccc1F)C[C@@H]1CCCOC1 ZINC000297378695 919280024 /nfs/dbraw/zinc/28/00/24/919280024.db2.gz DFVYNVWSPWGCPQ-UXHICEINSA-N 1 3 378.532 3.543 20 0 GHADHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(OC3CC[NH+](C)CC3)cc2)o1 ZINC000367409623 922089399 /nfs/dbraw/zinc/08/93/99/922089399.db2.gz HSDKBGHGEFZMLD-UHFFFAOYSA-N 1 3 380.492 3.741 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592158 922218713 /nfs/dbraw/zinc/21/87/13/922218713.db2.gz BIBLXZJGZYMSGH-ZUEVXXBESA-N 1 3 394.441 3.935 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)CC1 ZINC000368400909 922649125 /nfs/dbraw/zinc/64/91/25/922649125.db2.gz WWOIIBNDLFNIDB-UHFFFAOYSA-N 1 3 375.523 3.705 20 0 GHADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccccc1C(F)(F)F ZINC000903124358 922792318 /nfs/dbraw/zinc/79/23/18/922792318.db2.gz GIBAOGUFSUNQJN-DJXYKJKZSA-N 1 3 382.470 3.604 20 0 GHADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccccc1C(F)(F)F ZINC000903124358 922792329 /nfs/dbraw/zinc/79/23/29/922792329.db2.gz GIBAOGUFSUNQJN-DJXYKJKZSA-N 1 3 382.470 3.604 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903125530 922793455 /nfs/dbraw/zinc/79/34/55/922793455.db2.gz MZYICGVZPCLVFX-ZRBLBEILSA-N 1 3 390.543 3.651 20 0 GHADHO Cn1cc(-c2cc(CN3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)on2)cn1 ZINC000368652709 922794335 /nfs/dbraw/zinc/79/43/35/922794335.db2.gz MLCHTAIGISSFFA-UHFFFAOYSA-N 1 3 391.519 3.563 20 0 GHADHO Cn1cc(-c2cc(CN3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)on2)cn1 ZINC000368652709 922794346 /nfs/dbraw/zinc/79/43/46/922794346.db2.gz MLCHTAIGISSFFA-UHFFFAOYSA-N 1 3 391.519 3.563 20 0 GHADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000903127990 922796453 /nfs/dbraw/zinc/79/64/53/922796453.db2.gz PNWYCXOECBETQC-RMLGXXCHSA-N 1 3 379.552 3.702 20 0 GHADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000903127990 922796462 /nfs/dbraw/zinc/79/64/62/922796462.db2.gz PNWYCXOECBETQC-RMLGXXCHSA-N 1 3 379.552 3.702 20 0 GHADHO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)s2)cc1 ZINC000370702733 924265378 /nfs/dbraw/zinc/26/53/78/924265378.db2.gz RBJUFMWJALVZAV-WIYYLYMNSA-N 1 3 384.593 3.576 20 0 GHADHO Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)s2)cc1 ZINC000370702733 924265386 /nfs/dbraw/zinc/26/53/86/924265386.db2.gz RBJUFMWJALVZAV-WIYYLYMNSA-N 1 3 384.593 3.576 20 0 GHADHO CC[C@@H](C)Oc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC ZINC000678282648 924705975 /nfs/dbraw/zinc/70/59/75/924705975.db2.gz CDMARDMGEKZQEM-LJQANCHMSA-N 1 3 390.568 3.949 20 0 GHADHO CCN(Cc1ccccc1-n1cncn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000678287813 924707214 /nfs/dbraw/zinc/70/72/14/924707214.db2.gz KTBHGLXHHSYTRZ-OAQYLSRUSA-N 1 3 375.520 3.611 20 0 GHADHO CCN(Cc1ccccc1-n1cncn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000678287813 924707232 /nfs/dbraw/zinc/70/72/32/924707232.db2.gz KTBHGLXHHSYTRZ-OAQYLSRUSA-N 1 3 375.520 3.611 20 0 GHADHO CCN(Cc1ccccc1-n1cncn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000678287811 924707932 /nfs/dbraw/zinc/70/79/32/924707932.db2.gz KTBHGLXHHSYTRZ-NRFANRHFSA-N 1 3 375.520 3.611 20 0 GHADHO CCN(Cc1ccccc1-n1cncn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000678287811 924707940 /nfs/dbraw/zinc/70/79/40/924707940.db2.gz KTBHGLXHHSYTRZ-NRFANRHFSA-N 1 3 375.520 3.611 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679042657 925007842 /nfs/dbraw/zinc/00/78/42/925007842.db2.gz CDBLXIFWZGURTM-SDUSCBPUSA-N 1 3 399.623 3.646 20 0 GHADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000682658502 926200090 /nfs/dbraw/zinc/20/00/90/926200090.db2.gz GXIWUDSYKJIQPJ-JOCHJYFZSA-N 1 3 386.584 3.731 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000411312100 926296301 /nfs/dbraw/zinc/29/63/01/926296301.db2.gz YPTWDWOJCXRWDM-CABCVRRESA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000411312100 926296305 /nfs/dbraw/zinc/29/63/05/926296305.db2.gz YPTWDWOJCXRWDM-CABCVRRESA-N 1 3 382.346 3.582 20 0 GHADHO Cc1ccsc1[C@@H](Cc1ccccc1)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411517632 926486404 /nfs/dbraw/zinc/48/64/04/926486404.db2.gz MXGDOIGFQXOPSD-OAQYLSRUSA-N 1 3 399.604 3.919 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000726241357 926606656 /nfs/dbraw/zinc/60/66/56/926606656.db2.gz FLDQCDXHNTWUNR-NQIIRXRSSA-N 1 3 392.632 3.697 20 0 GHADHO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccc(Cl)nc2)CC1 ZINC000751507726 928228668 /nfs/dbraw/zinc/22/86/68/928228668.db2.gz SSYSELKQXHPCKT-UHFFFAOYSA-N 1 3 398.860 3.795 20 0 GHADHO C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780881444 930625895 /nfs/dbraw/zinc/62/58/95/930625895.db2.gz CWBBEAGIXGZCGY-IFMALSPDSA-N 1 3 378.564 3.761 20 0 GHADHO C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780881444 930625900 /nfs/dbraw/zinc/62/59/00/930625900.db2.gz CWBBEAGIXGZCGY-IFMALSPDSA-N 1 3 378.564 3.761 20 0 GHADHO C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc(C[NH+](C)C)c1 ZINC000924678926 931472055 /nfs/dbraw/zinc/47/20/55/931472055.db2.gz VRLGWEPTYQLRLK-QRVBRYPASA-N 1 3 382.552 3.608 20 0 GHADHO CN(CCCN(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccco1 ZINC000557762342 931666515 /nfs/dbraw/zinc/66/65/15/931666515.db2.gz OCBAZHIMLMPSBO-JOCHJYFZSA-N 1 3 398.551 3.580 20 0 GHADHO FC(F)(F)[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)n1cncn1 ZINC000926784329 932305854 /nfs/dbraw/zinc/30/58/54/932305854.db2.gz DNQALKSYPNGNDO-IPQPSQTFSA-N 1 3 393.457 3.557 20 0 GHADHO C[C@@H](NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnn1C1CCC1 ZINC000926855350 932328563 /nfs/dbraw/zinc/32/85/63/932328563.db2.gz JVLHGUCVERWLKB-LJQANCHMSA-N 1 3 382.552 3.676 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc(-c2ccccc2)o1 ZINC000929807722 933641856 /nfs/dbraw/zinc/64/18/56/933641856.db2.gz YPNLLNTYAQKRHQ-UHFFFAOYSA-N 1 3 396.579 3.970 20 0 GHADHO C[C@H](CNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1)CC(C)(C)CC[NH3+] ZINC001220763558 1032105057 /nfs/dbraw/zinc/10/50/57/1032105057.db2.gz GFFRKZIZZPVKIK-PGRDOPGGSA-N 1 3 381.564 3.741 20 0 GHADHO N[C@@H](CCCc1ccccc1)C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002847 1032229773 /nfs/dbraw/zinc/22/97/73/1032229773.db2.gz ZMOGDQKHDQKBCU-FUDKSRODSA-N 1 3 397.538 3.774 20 0 GHADHO O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001221036953 1032246852 /nfs/dbraw/zinc/24/68/52/1032246852.db2.gz MOVLBILWPCILHF-RJGXRXQPSA-N 1 3 395.522 3.866 20 0 GHADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC001221296932 1032366203 /nfs/dbraw/zinc/36/62/03/1032366203.db2.gz DBTUFCVRDPIQOC-MDNUFGMLSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001221472548 1032429436 /nfs/dbraw/zinc/42/94/36/1032429436.db2.gz NZQQVVFHQUEGHL-ZFQANFLFSA-N 1 3 384.568 3.528 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001221537096 1032452800 /nfs/dbraw/zinc/45/28/00/1032452800.db2.gz INOAVTDGALTRKG-PTUXOGIPSA-N 1 3 394.563 3.560 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001221537096 1032452805 /nfs/dbraw/zinc/45/28/05/1032452805.db2.gz INOAVTDGALTRKG-PTUXOGIPSA-N 1 3 394.563 3.560 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC3(CCCC3)CC2)CC1 ZINC000558422388 1017195724 /nfs/dbraw/zinc/19/57/24/1017195724.db2.gz BVUOLIXZXPIJAE-UHFFFAOYSA-N 1 3 383.580 3.732 20 0 GHADHO CC(=O)n1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)c2ccccc21 ZINC001204405860 1032830569 /nfs/dbraw/zinc/83/05/69/1032830569.db2.gz ASOCONBTPQODJO-UHFFFAOYSA-N 1 3 383.536 3.626 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204489429 1032922475 /nfs/dbraw/zinc/92/24/75/1032922475.db2.gz KFZKXRPMGQLFGI-HXUWFJFHSA-N 1 3 398.572 3.939 20 0 GHADHO CN(Cc1ccccc1)C1CC[NH+](Cc2ccccc2-c2cnc(N)nc2)CC1 ZINC001140322920 1021397602 /nfs/dbraw/zinc/39/76/02/1021397602.db2.gz CRXCHTKNYZBNCB-UHFFFAOYSA-N 1 3 387.531 3.822 20 0 GHADHO Nc1ncc(-c2ccccc2C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001140326332 1021407240 /nfs/dbraw/zinc/40/72/40/1021407240.db2.gz MMPFRNRAZMROKT-REWPJTCUSA-N 1 3 399.542 3.680 20 0 GHADHO Nc1ncc(-c2ccccc2C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001140326332 1021407245 /nfs/dbraw/zinc/40/72/45/1021407245.db2.gz MMPFRNRAZMROKT-REWPJTCUSA-N 1 3 399.542 3.680 20 0 GHADHO Cc1c(C[C@@H](CN)C[NH2+]CCC(c2ccccc2)c2ccccc2)cnn1C ZINC000903925211 1021658374 /nfs/dbraw/zinc/65/83/74/1021658374.db2.gz MGQHXJIULCVRRU-FQEVSTJZSA-N 1 3 376.548 3.658 20 0 GHADHO Fc1cccn2cc(CNCCCOC3CC[NH+](Cc4ccccc4)CC3)nc12 ZINC000677320957 1021818604 /nfs/dbraw/zinc/81/86/04/1021818604.db2.gz DCAPKHYOCZZFPR-UHFFFAOYSA-N 1 3 396.510 3.634 20 0 GHADHO CC(C)c1ccc(NC(=O)CN2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000780330728 1023258567 /nfs/dbraw/zinc/25/85/67/1023258567.db2.gz MFYUVFLKCYQLOR-UHFFFAOYSA-N 1 3 387.568 3.573 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000756127194 1023530400 /nfs/dbraw/zinc/53/04/00/1023530400.db2.gz IWWHDWINYXNOGK-QFIPXVFZSA-N 1 3 387.955 3.695 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc(Cl)n1 ZINC000831495319 1024600304 /nfs/dbraw/zinc/60/03/04/1024600304.db2.gz ABJIHNMUDXFCJY-IBGZPJMESA-N 1 3 386.927 3.710 20 0 GHADHO CCn1nc(C)c(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138642979 1025150077 /nfs/dbraw/zinc/15/00/77/1025150077.db2.gz FNGQTLFRRPTJAW-QFIPXVFZSA-N 1 3 396.579 3.775 20 0 GHADHO CCn1nc(C)c(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138642979 1025150088 /nfs/dbraw/zinc/15/00/88/1025150088.db2.gz FNGQTLFRRPTJAW-QFIPXVFZSA-N 1 3 396.579 3.775 20 0 GHADHO CCn1nc(C)c(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138642978 1025150620 /nfs/dbraw/zinc/15/06/20/1025150620.db2.gz FNGQTLFRRPTJAW-JOCHJYFZSA-N 1 3 396.579 3.775 20 0 GHADHO CCn1nc(C)c(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138642978 1025150621 /nfs/dbraw/zinc/15/06/21/1025150621.db2.gz FNGQTLFRRPTJAW-JOCHJYFZSA-N 1 3 396.579 3.775 20 0 GHADHO C[C@@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCCN(C2CCC2)C1 ZINC000839011022 1025517204 /nfs/dbraw/zinc/51/72/04/1025517204.db2.gz LKYZYOJPQKYVLJ-IAGOWNOFSA-N 1 3 377.573 3.629 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000839550834 1026048688 /nfs/dbraw/zinc/04/86/88/1026048688.db2.gz IOHSKTTXWSGCBW-GBESFXJTSA-N 1 3 379.589 3.876 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3-n3cncn3)C[C@@H]21 ZINC001139421441 1026291318 /nfs/dbraw/zinc/29/13/18/1026291318.db2.gz LOHGZXYUKUCNCK-FIXSFTCYSA-N 1 3 387.531 3.878 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccccc3-n3cncn3)C[C@@H]21 ZINC001139421441 1026291330 /nfs/dbraw/zinc/29/13/30/1026291330.db2.gz LOHGZXYUKUCNCK-FIXSFTCYSA-N 1 3 387.531 3.878 20 0 GHADHO c1ncn(-c2ccccc2C[N@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC001139423502 1026295225 /nfs/dbraw/zinc/29/52/25/1026295225.db2.gz YWPLELVGLSNVPK-DEOSSOPVSA-N 1 3 387.531 3.755 20 0 GHADHO c1ncn(-c2ccccc2C[N@@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC001139423502 1026295228 /nfs/dbraw/zinc/29/52/28/1026295228.db2.gz YWPLELVGLSNVPK-DEOSSOPVSA-N 1 3 387.531 3.755 20 0 GHADHO C[N@H+](CCNC1CCN(Cc2ccccc2Br)CC1)C1CCCC1 ZINC001461190240 1069433808 /nfs/dbraw/zinc/43/38/08/1069433808.db2.gz LLNMTELEHATCST-UHFFFAOYSA-N 1 3 394.401 3.878 20 0 GHADHO C[N@@H+](CCNC1CCN(Cc2ccccc2Br)CC1)C1CCCC1 ZINC001461190240 1069433811 /nfs/dbraw/zinc/43/38/11/1069433811.db2.gz LLNMTELEHATCST-UHFFFAOYSA-N 1 3 394.401 3.878 20 0 GHADHO c1c([C@H]2CNCCO2)cn2c1cccc2NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166911637 1027149636 /nfs/dbraw/zinc/14/96/36/1027149636.db2.gz WZGQGKXTNKTSDB-DHIUTWEWSA-N 1 3 390.531 3.849 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)N(C)Cc2ccccc2)CC1 ZINC001461208129 1069442931 /nfs/dbraw/zinc/44/29/31/1069442931.db2.gz KUJMFZQCLHUTCO-QFIPXVFZSA-N 1 3 394.607 3.829 20 0 GHADHO CC(=O)OCc1ccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC001141787006 1027282092 /nfs/dbraw/zinc/28/20/92/1027282092.db2.gz DXGUUPCSZYCLLG-UHFFFAOYSA-N 1 3 382.504 3.831 20 0 GHADHO CCOC(=O)C1CCN(Cc2cccc(Nc3cccc(C[NH2+]C)c3)c2)CC1 ZINC001211139551 1027804089 /nfs/dbraw/zinc/80/40/89/1027804089.db2.gz LGAZSIZCFAWKDP-UHFFFAOYSA-N 1 3 381.520 3.925 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)N(C)C)cc1 ZINC001211305851 1027902602 /nfs/dbraw/zinc/90/26/02/1027902602.db2.gz YGTANASIAVTFON-JOCHJYFZSA-N 1 3 388.600 3.806 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)N(C)C)cc1 ZINC001211305851 1027902603 /nfs/dbraw/zinc/90/26/03/1027902603.db2.gz YGTANASIAVTFON-JOCHJYFZSA-N 1 3 388.600 3.806 20 0 GHADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCc1ccc(CC[NH3+])cc1 ZINC000841032832 1028057049 /nfs/dbraw/zinc/05/70/49/1028057049.db2.gz ZUFVEVLRHWDUBG-UHFFFAOYSA-N 1 3 382.939 3.993 20 0 GHADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001142137801 1028227514 /nfs/dbraw/zinc/22/75/14/1028227514.db2.gz CRMYYYQEJSESME-JTJHWIPRSA-N 1 3 389.559 3.520 20 0 GHADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001142137801 1028227525 /nfs/dbraw/zinc/22/75/25/1028227525.db2.gz CRMYYYQEJSESME-JTJHWIPRSA-N 1 3 389.559 3.520 20 0 GHADHO CS(=O)(=O)c1cccc([C@@H](NCCCCCC[NH3+])c2ccc(F)c(F)c2)c1 ZINC000843341599 1029927266 /nfs/dbraw/zinc/92/72/66/1029927266.db2.gz JXGJKFNIKHOZHN-HXUWFJFHSA-N 1 3 396.503 3.566 20 0 GHADHO COc1ccc(CN2CCCC3(CCCC[NH2+]C3)CCC2)c(OC)c1OC ZINC001222109364 1029967703 /nfs/dbraw/zinc/96/77/03/1029967703.db2.gz GEOMZGUZPKCYDB-UHFFFAOYSA-N 1 3 376.541 3.848 20 0 GHADHO Cn1c2ccccc2c(CN2CCOC3(CC[NH2+]CC3)C2)c1-c1ccccc1 ZINC001222187101 1029993255 /nfs/dbraw/zinc/99/32/55/1029993255.db2.gz WVWUVXHKFTZFEY-UHFFFAOYSA-N 1 3 375.516 3.800 20 0 GHADHO COC(=O)c1ccc(COc2ccccc2CN2CCC3(CC([NH3+])C3)CC2)cc1 ZINC001222215446 1030011621 /nfs/dbraw/zinc/01/16/21/1030011621.db2.gz DXJRKSCBEMDVHQ-UHFFFAOYSA-N 1 3 394.515 3.756 20 0 GHADHO c1[nH]c2ncccc2c1CN1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222574603 1030205578 /nfs/dbraw/zinc/20/55/78/1030205578.db2.gz IBSHAFWRCRWJRI-NRFANRHFSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]c2ncccc2c1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222574603 1030205589 /nfs/dbraw/zinc/20/55/89/1030205589.db2.gz IBSHAFWRCRWJRI-NRFANRHFSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]c2ncccc2c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222574603 1030205607 /nfs/dbraw/zinc/20/56/07/1030205607.db2.gz IBSHAFWRCRWJRI-NRFANRHFSA-N 1 3 390.531 3.866 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NCCC[NH+]2CCCCC2)N(C)C)cc1 ZINC001223279165 1030503509 /nfs/dbraw/zinc/50/35/09/1030503509.db2.gz MTELZMNCGHMZTH-QFIPXVFZSA-N 1 3 388.600 3.663 20 0 GHADHO [NH3+]C1CCN(Cc2ccc(O[C@H]3CCN(Cc4ccc(Cl)cc4)C3)cc2)CC1 ZINC001218411065 1030927448 /nfs/dbraw/zinc/92/74/48/1030927448.db2.gz XBRVNIOJRRFKPH-QHCPKHFHSA-N 1 3 399.966 3.916 20 0 GHADHO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)c1ccc2c(c1)CNC2 ZINC001219488864 1031455574 /nfs/dbraw/zinc/45/55/74/1031455574.db2.gz ABFFYBDLMGSCIH-HSZRJFAPSA-N 1 3 375.516 3.885 20 0 GHADHO CCCCN(CC)[C@@H](C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1)c1ccccc1 ZINC001219787565 1031617890 /nfs/dbraw/zinc/61/78/90/1031617890.db2.gz GWLCSFKXKDGWBT-NZQKXSOJSA-N 1 3 396.579 3.577 20 0 GHADHO C[C@H](CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001154078139 1031915072 /nfs/dbraw/zinc/91/50/72/1031915072.db2.gz KXXYOOIXUBVJCY-RTWAWAEBSA-N 1 3 385.596 3.710 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001156965290 1033346294 /nfs/dbraw/zinc/34/62/94/1033346294.db2.gz SMBONBYOPLCCBS-TZIWHRDSSA-N 1 3 399.579 3.687 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001156965290 1033346305 /nfs/dbraw/zinc/34/63/05/1033346305.db2.gz SMBONBYOPLCCBS-TZIWHRDSSA-N 1 3 399.579 3.687 20 0 GHADHO N[C@H](CC(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC001158032154 1033873453 /nfs/dbraw/zinc/87/34/53/1033873453.db2.gz QZHPLHMQJWPRLI-QUCCMNQESA-N 1 3 397.485 3.868 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cccc(=O)[nH]4)CC3)CC2)c1 ZINC001207068397 1034079316 /nfs/dbraw/zinc/07/93/16/1034079316.db2.gz JYBUMCMRGVQBDD-UHFFFAOYSA-N 1 3 381.520 3.674 20 0 GHADHO C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@H](C)CN1Cc1ccccc1 ZINC001158521611 1034125895 /nfs/dbraw/zinc/12/58/95/1034125895.db2.gz HBEZRKUFGZARHE-WOJBJXKFSA-N 1 3 394.563 3.654 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214494 1034182598 /nfs/dbraw/zinc/18/25/98/1034182598.db2.gz NUKMAMCBNSYAMG-BHIFYINESA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214494 1034182604 /nfs/dbraw/zinc/18/26/04/1034182604.db2.gz NUKMAMCBNSYAMG-BHIFYINESA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214494 1034182611 /nfs/dbraw/zinc/18/26/11/1034182611.db2.gz NUKMAMCBNSYAMG-BHIFYINESA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214494 1034182621 /nfs/dbraw/zinc/18/26/21/1034182621.db2.gz NUKMAMCBNSYAMG-BHIFYINESA-N 1 3 399.579 3.697 20 0 GHADHO CC1(C)C[C@@H](C[N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CCO1 ZINC001207357249 1034302741 /nfs/dbraw/zinc/30/27/41/1034302741.db2.gz LMGCRBOBWLZFAV-ZDXQCDESSA-N 1 3 390.612 3.652 20 0 GHADHO CC1(C)C[C@@H](C[N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CCO1 ZINC001207357249 1034302751 /nfs/dbraw/zinc/30/27/51/1034302751.db2.gz LMGCRBOBWLZFAV-ZDXQCDESSA-N 1 3 390.612 3.652 20 0 GHADHO [NH3+]C1CCN(c2ncccc2Nc2ccc(CN3CCCCC3)c(F)c2)CC1 ZINC001159262473 1034509650 /nfs/dbraw/zinc/50/96/50/1034509650.db2.gz XGGBQVYDPIRWBL-UHFFFAOYSA-N 1 3 383.515 3.878 20 0 GHADHO COC(=O)c1cc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)ccc1O ZINC001231422182 1034573054 /nfs/dbraw/zinc/57/30/54/1034573054.db2.gz SZWUFQVIEVGFKN-NRFANRHFSA-N 1 3 398.503 3.648 20 0 GHADHO COC(=O)c1cc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)ccc1O ZINC001231422182 1034573061 /nfs/dbraw/zinc/57/30/61/1034573061.db2.gz SZWUFQVIEVGFKN-NRFANRHFSA-N 1 3 398.503 3.648 20 0 GHADHO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC001159391318 1034576103 /nfs/dbraw/zinc/57/61/03/1034576103.db2.gz QVOHYKKSLRJXGR-CEWLAPEOSA-N 1 3 393.579 3.804 20 0 GHADHO Cc1nc2ccsc2c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460272 1034605793 /nfs/dbraw/zinc/60/57/93/1034605793.db2.gz QPSBDNBKYGVUMI-UHFFFAOYSA-N 1 3 391.544 3.909 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cnc4ccc(F)cc4n3)c3ccccc23)CC1 ZINC001159461300 1034605820 /nfs/dbraw/zinc/60/58/20/1034605820.db2.gz VCAKOSDDBMZWOE-UHFFFAOYSA-N 1 3 389.478 3.678 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC001207858338 1034626177 /nfs/dbraw/zinc/62/61/77/1034626177.db2.gz LSRWIBJTPAEVPN-LSDHHAIUSA-N 1 3 384.362 3.876 20 0 GHADHO CN1CCN(C2(c3ccc(Nc4ccc([C@@H]5CC[NH2+]C5)cc4)cc3)CC2)CC1 ZINC001159776448 1034739445 /nfs/dbraw/zinc/73/94/45/1034739445.db2.gz UUNUEMHIQWLITJ-HXUWFJFHSA-N 1 3 376.548 3.744 20 0 GHADHO CC[NH+]1CCC(CC2CCN(Cc3ccc(OC)c(OC(C)=O)c3)CC2)CC1 ZINC001231710373 1034852671 /nfs/dbraw/zinc/85/26/71/1034852671.db2.gz HIQMPKVZIJWLLL-UHFFFAOYSA-N 1 3 388.552 3.955 20 0 GHADHO CC[NH+]1CCC(CN2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208604487 1034952399 /nfs/dbraw/zinc/95/23/99/1034952399.db2.gz OUSIMMXFNDASRY-NRFANRHFSA-N 1 3 387.568 3.670 20 0 GHADHO CC(C)(CC[N@@H+]1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1)c1ccccc1 ZINC001208667325 1034975918 /nfs/dbraw/zinc/97/59/18/1034975918.db2.gz WOVHZLVKVGXIIG-ISKFKSNPSA-N 1 3 393.575 3.972 20 0 GHADHO CC(C)(CC[N@H+]1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1)c1ccccc1 ZINC001208667325 1034975924 /nfs/dbraw/zinc/97/59/24/1034975924.db2.gz WOVHZLVKVGXIIG-ISKFKSNPSA-N 1 3 393.575 3.972 20 0 GHADHO O=C(C[C@H]1CCC[NH2+]C1)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160681980 1035034464 /nfs/dbraw/zinc/03/44/64/1035034464.db2.gz BCPMJLQPLBYZDM-RPWUZVMVSA-N 1 3 391.559 3.679 20 0 GHADHO CN(Cc1ccno1)CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208820297 1035039721 /nfs/dbraw/zinc/03/97/21/1035039721.db2.gz MRNYUQMCTMJDIJ-UHFFFAOYSA-N 1 3 399.535 3.974 20 0 GHADHO CN(CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1)C1(C)COC1 ZINC001208821689 1035040884 /nfs/dbraw/zinc/04/08/84/1035040884.db2.gz YJEQTBRBNIQGJF-UHFFFAOYSA-N 1 3 388.552 3.575 20 0 GHADHO C[N@H+](CC1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1)C1(C)COC1 ZINC001208821689 1035040889 /nfs/dbraw/zinc/04/08/89/1035040889.db2.gz YJEQTBRBNIQGJF-UHFFFAOYSA-N 1 3 388.552 3.575 20 0 GHADHO C[N@@H+](CC1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1)C1(C)COC1 ZINC001208821689 1035040899 /nfs/dbraw/zinc/04/08/99/1035040899.db2.gz YJEQTBRBNIQGJF-UHFFFAOYSA-N 1 3 388.552 3.575 20 0 GHADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931322 1035094937 /nfs/dbraw/zinc/09/49/37/1035094937.db2.gz JAAWZFZIIJNKKD-XMMPIXPASA-N 1 3 378.564 3.502 20 0 GHADHO c1ccc(CN2CCC[C@H](C[N@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931322 1035094943 /nfs/dbraw/zinc/09/49/43/1035094943.db2.gz JAAWZFZIIJNKKD-XMMPIXPASA-N 1 3 378.564 3.502 20 0 GHADHO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208949871 1035120258 /nfs/dbraw/zinc/12/02/58/1035120258.db2.gz ZEJIRNVQJMJFAM-REWPJTCUSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208949871 1035120260 /nfs/dbraw/zinc/12/02/60/1035120260.db2.gz ZEJIRNVQJMJFAM-REWPJTCUSA-N 1 3 387.568 3.888 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208951273 1035121970 /nfs/dbraw/zinc/12/19/70/1035121970.db2.gz AYPBGJFYYATDGR-GIVPXCGWSA-N 1 3 387.568 3.744 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208951273 1035121972 /nfs/dbraw/zinc/12/19/72/1035121972.db2.gz AYPBGJFYYATDGR-GIVPXCGWSA-N 1 3 387.568 3.744 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232149076 1035127393 /nfs/dbraw/zinc/12/73/93/1035127393.db2.gz TUBGDXFXMSXKAB-SFHVURJKSA-N 1 3 391.531 3.576 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232149076 1035127396 /nfs/dbraw/zinc/12/73/96/1035127396.db2.gz TUBGDXFXMSXKAB-SFHVURJKSA-N 1 3 391.531 3.576 20 0 GHADHO CC(C)(C)OC(=O)N1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC001208956360 1035129750 /nfs/dbraw/zinc/12/97/50/1035129750.db2.gz HMJVNKCNDZXMLW-OAQYLSRUSA-N 1 3 387.568 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001208956360 1035129753 /nfs/dbraw/zinc/12/97/53/1035129753.db2.gz HMJVNKCNDZXMLW-OAQYLSRUSA-N 1 3 387.568 3.841 20 0 GHADHO CC[NH+](CC)CCCN1CCN(CCCCCCCCCC(=O)OC)CC1 ZINC001209098772 1035173400 /nfs/dbraw/zinc/17/34/00/1035173400.db2.gz VYQOVUZUIIVSNT-UHFFFAOYSA-N 1 3 383.621 3.630 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H](Nc3cc4c(nn3)CCNC4)[C@H](c3ccccc3)C2)cc1 ZINC001161464040 1035236015 /nfs/dbraw/zinc/23/60/15/1035236015.db2.gz XNJKVTKIAWZLNE-LADGPHEKSA-N 1 3 399.542 3.593 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H](Nc3cc4c(nn3)CCNC4)[C@H](c3ccccc3)C2)cc1 ZINC001161464040 1035236019 /nfs/dbraw/zinc/23/60/19/1035236019.db2.gz XNJKVTKIAWZLNE-LADGPHEKSA-N 1 3 399.542 3.593 20 0 GHADHO Cc1c[nH+]ccc1N1CCN(CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209359751 1035252512 /nfs/dbraw/zinc/25/25/12/1035252512.db2.gz FGRPLTAIOHQLMD-UHFFFAOYSA-N 1 3 376.545 3.597 20 0 GHADHO CC[C@H](C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1)NC(=O)OC(C)(C)C ZINC001209467564 1035282624 /nfs/dbraw/zinc/28/26/24/1035282624.db2.gz ZSBHLWWKNQUMBJ-HXUWFJFHSA-N 1 3 387.568 3.888 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3cccc(-c4ccc(Cl)cc4)n3)CC2)CC1 ZINC001248516088 1035927738 /nfs/dbraw/zinc/92/77/38/1035927738.db2.gz PZYONWJYXXJNCL-UHFFFAOYSA-N 1 3 384.955 3.614 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1)c1ccco1 ZINC001248638368 1036020358 /nfs/dbraw/zinc/02/03/58/1036020358.db2.gz HVASIKRRFGHEOZ-RBUKOAKNSA-N 1 3 390.572 3.759 20 0 GHADHO Cc1ccc(C[N@H+]2CCCC3(CCN(Cc4cccc(=O)n4C)CC3)C2)cc1 ZINC001248807258 1036174287 /nfs/dbraw/zinc/17/42/87/1036174287.db2.gz KXPRJRMKWYHFKA-UHFFFAOYSA-N 1 3 379.548 3.572 20 0 GHADHO Cc1ccc(C[N@@H+]2CCCC3(CCN(Cc4cccc(=O)n4C)CC3)C2)cc1 ZINC001248807258 1036174309 /nfs/dbraw/zinc/17/43/09/1036174309.db2.gz KXPRJRMKWYHFKA-UHFFFAOYSA-N 1 3 379.548 3.572 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc3n1CCC3)CC2 ZINC001248822420 1036185190 /nfs/dbraw/zinc/18/51/90/1036185190.db2.gz KQQPUFFVMMKWGB-QHCPKHFHSA-N 1 3 379.548 3.690 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc3n1CCC3)CC2 ZINC001248822420 1036185200 /nfs/dbraw/zinc/18/52/00/1036185200.db2.gz KQQPUFFVMMKWGB-QHCPKHFHSA-N 1 3 379.548 3.690 20 0 GHADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC001462078261 1069982745 /nfs/dbraw/zinc/98/27/45/1069982745.db2.gz BYJXTAJMZWLEPR-FJIDUMEYSA-N 1 3 386.527 3.986 20 0 GHADHO CC(C)N1CCN(c2ccc(-c3ccc(COC4CC[NH2+]CC4)cc3)cn2)CC1 ZINC001245409955 1036912060 /nfs/dbraw/zinc/91/20/60/1036912060.db2.gz KOGRVCHWQLBKSP-UHFFFAOYSA-N 1 3 394.563 3.548 20 0 GHADHO c1[nH]c([C@@H]2CCC[NH2+]2)nc1-c1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001245423271 1036917765 /nfs/dbraw/zinc/91/77/65/1036917765.db2.gz ATNIYRGKPPSTAL-RTWAWAEBSA-N 1 3 378.520 3.769 20 0 GHADHO Cc1ccccc1OC[C@H](O)CN[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001246005294 1037124984 /nfs/dbraw/zinc/12/49/84/1037124984.db2.gz IXWVPTBSEVSDGC-KNQAVFIVSA-N 1 3 386.511 3.594 20 0 GHADHO C[C@H](c1ccccc1)[N@H+](C[C@]1(O)CCCNC1)[C@H]1CC[C@@H]1OCc1ccccc1 ZINC001246058764 1037172680 /nfs/dbraw/zinc/17/26/80/1037172680.db2.gz GLBXELXYUUEJJI-OCFYOKIWSA-N 1 3 394.559 3.912 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CCCNC1)[C@H]1CC[C@@H]1OCc1ccccc1 ZINC001246058764 1037172698 /nfs/dbraw/zinc/17/26/98/1037172698.db2.gz GLBXELXYUUEJJI-OCFYOKIWSA-N 1 3 394.559 3.912 20 0 GHADHO CCOC(=O)CC1(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC001246206181 1037239358 /nfs/dbraw/zinc/23/93/58/1037239358.db2.gz XXINCAHPXZURPQ-VXKWHMMOSA-N 1 3 378.516 3.560 20 0 GHADHO COc1ccc(CC2([NH2+][C@H]3CCc4c(F)cc(F)cc4C3)CCNCC2)cc1 ZINC001246377773 1037334785 /nfs/dbraw/zinc/33/47/85/1037334785.db2.gz LRYRFPRTRRSZSD-IBGZPJMESA-N 1 3 386.486 3.785 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2cccc(OC)c2)CCNCC1 ZINC001246379582 1037339449 /nfs/dbraw/zinc/33/94/49/1037339449.db2.gz YMXKKSMJTDAOLJ-FQEVSTJZSA-N 1 3 396.531 3.700 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N[C@H]2CCN(Cc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246398195 1037357885 /nfs/dbraw/zinc/35/78/85/1037357885.db2.gz VDBAWZIIJMTNFT-GIWBLDEGSA-N 1 3 385.502 3.930 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CCN1 ZINC001246403426 1037360683 /nfs/dbraw/zinc/36/06/83/1037360683.db2.gz DUNRWUCUDTUOEN-YJBOKZPZSA-N 1 3 381.358 3.519 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH2+]C2CCN(c3nc4ccccc4n3CC)CC2)CCN1 ZINC001246407689 1037363815 /nfs/dbraw/zinc/36/38/15/1037363815.db2.gz SMFSGHGTFLZXFH-WOJBJXKFSA-N 1 3 383.584 3.925 20 0 GHADHO CC[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CCN1 ZINC001246410664 1037367274 /nfs/dbraw/zinc/36/72/74/1037367274.db2.gz ITRYDJRHBKWOJR-RTBURBONSA-N 1 3 395.385 3.909 20 0 GHADHO COc1ccccc1CC1([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CCNCC1 ZINC001246425528 1037382720 /nfs/dbraw/zinc/38/27/20/1037382720.db2.gz LPQHQCJOZHGAKJ-IBGZPJMESA-N 1 3 386.486 3.785 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN[C@@H](Cc3ccccc3)C1)CCC2 ZINC001246496924 1037441944 /nfs/dbraw/zinc/44/19/44/1037441944.db2.gz DMSHGNMDDCOZNY-GIWBLDEGSA-N 1 3 378.516 3.804 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675097 1037539068 /nfs/dbraw/zinc/53/90/68/1037539068.db2.gz VXPBOUDXBMSHLP-FBLLAGFSSA-N 1 3 392.543 3.990 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675097 1037539084 /nfs/dbraw/zinc/53/90/84/1037539084.db2.gz VXPBOUDXBMSHLP-FBLLAGFSSA-N 1 3 392.543 3.990 20 0 GHADHO c1ccc(OC[C@]23CCCO[C@H]2CCN([C@@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246710793 1037565282 /nfs/dbraw/zinc/56/52/82/1037565282.db2.gz RLTMTOHDFANAAK-FUPPJEDESA-N 1 3 399.579 3.786 20 0 GHADHO CCCC[C@H]1C[C@H](N2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CC[NH2+]1 ZINC001246724173 1037575491 /nfs/dbraw/zinc/57/54/91/1037575491.db2.gz USEGMPSFMHIKSI-GNXKAVGDSA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@H]1C[C@H]([N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CCN1 ZINC001246724173 1037575494 /nfs/dbraw/zinc/57/54/94/1037575494.db2.gz USEGMPSFMHIKSI-GNXKAVGDSA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@H]1C[C@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CCN1 ZINC001246724173 1037575495 /nfs/dbraw/zinc/57/54/95/1037575495.db2.gz USEGMPSFMHIKSI-GNXKAVGDSA-N 1 3 375.601 3.943 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246770797 1037613383 /nfs/dbraw/zinc/61/33/83/1037613383.db2.gz UTFLLNYOUURROH-BESBDSHLSA-N 1 3 378.601 3.983 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)CC[NH2+]1 ZINC001246772916 1037616268 /nfs/dbraw/zinc/61/62/68/1037616268.db2.gz BXFQSMHBWTXKFD-JXALWOEJSA-N 1 3 383.580 3.944 20 0 GHADHO C[C@H]1C[C@@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[N@@H+]1Cc1ccccc1 ZINC001246831541 1037663758 /nfs/dbraw/zinc/66/37/58/1037663758.db2.gz CVPNEBWXXCNRQP-GDKQOWJMSA-N 1 3 381.539 3.852 20 0 GHADHO C[C@H]1C[C@@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[N@H+]1Cc1ccccc1 ZINC001246831541 1037663770 /nfs/dbraw/zinc/66/37/70/1037663770.db2.gz CVPNEBWXXCNRQP-GDKQOWJMSA-N 1 3 381.539 3.852 20 0 GHADHO COC(=O)[C@H]1CN([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920829 1037727273 /nfs/dbraw/zinc/72/72/73/1037727273.db2.gz STHBRRCFKKYVBD-LRSLUSHPSA-N 1 3 382.479 3.507 20 0 GHADHO CO[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)C1 ZINC001246937365 1037742666 /nfs/dbraw/zinc/74/26/66/1037742666.db2.gz LNLSMGZBNXZODY-RTBURBONSA-N 1 3 381.358 3.961 20 0 GHADHO CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)C1 ZINC001246937365 1037742688 /nfs/dbraw/zinc/74/26/88/1037742688.db2.gz LNLSMGZBNXZODY-RTBURBONSA-N 1 3 381.358 3.961 20 0 GHADHO O=C1CC[C@@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936885 1037743764 /nfs/dbraw/zinc/74/37/64/1037743764.db2.gz KKSIVZWBXSEGCK-FYYLOGMGSA-N 1 3 383.580 3.812 20 0 GHADHO O=C1CC[C@@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936885 1037743785 /nfs/dbraw/zinc/74/37/85/1037743785.db2.gz KKSIVZWBXSEGCK-FYYLOGMGSA-N 1 3 383.580 3.812 20 0 GHADHO FC(F)(F)[C@H]1C[C@@H]([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946508 1037750393 /nfs/dbraw/zinc/75/03/93/1037750393.db2.gz NTKIKOFTESJFBQ-DLBZAZTESA-N 1 3 375.866 3.577 20 0 GHADHO FC(F)(F)[C@H]1C[C@@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946508 1037750415 /nfs/dbraw/zinc/75/04/15/1037750415.db2.gz NTKIKOFTESJFBQ-DLBZAZTESA-N 1 3 375.866 3.577 20 0 GHADHO FC(F)(F)[C@H]1C[C@@H](N(Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246946508 1037750433 /nfs/dbraw/zinc/75/04/33/1037750433.db2.gz NTKIKOFTESJFBQ-DLBZAZTESA-N 1 3 375.866 3.577 20 0 GHADHO Cc1ccc(OCc2ccccc2)c(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1 ZINC001232378126 1038153089 /nfs/dbraw/zinc/15/30/89/1038153089.db2.gz FAKSCQWTDZIFGV-BJKOFHAPSA-N 1 3 393.575 3.784 20 0 GHADHO Cc1ccc(OCc2ccccc2)c(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1 ZINC001232378126 1038153101 /nfs/dbraw/zinc/15/31/01/1038153101.db2.gz FAKSCQWTDZIFGV-BJKOFHAPSA-N 1 3 393.575 3.784 20 0 GHADHO CNc1ccccc1C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001232667233 1038465046 /nfs/dbraw/zinc/46/50/46/1038465046.db2.gz DKKCOLBBHUDTLW-QFIPXVFZSA-N 1 3 379.548 3.984 20 0 GHADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H](O)COCc1ccccc1)CC2 ZINC001252279977 1038922030 /nfs/dbraw/zinc/92/20/30/1038922030.db2.gz HEXPGVMEZBQETP-JTHBVZDNSA-N 1 3 398.547 3.534 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC001252383848 1038969068 /nfs/dbraw/zinc/96/90/68/1038969068.db2.gz XXDBIQWAFXAEJN-FKBYEOEOSA-N 1 3 382.548 3.918 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC001252383848 1038969078 /nfs/dbraw/zinc/96/90/78/1038969078.db2.gz XXDBIQWAFXAEJN-FKBYEOEOSA-N 1 3 382.548 3.918 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cnn3ccccc13)CC2 ZINC001233237584 1038997302 /nfs/dbraw/zinc/99/73/02/1038997302.db2.gz UFWQBYHVHKUBIS-IBGZPJMESA-N 1 3 396.560 3.651 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cnn3ccccc13)CC2 ZINC001233237584 1038997311 /nfs/dbraw/zinc/99/73/11/1038997311.db2.gz UFWQBYHVHKUBIS-IBGZPJMESA-N 1 3 396.560 3.651 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001233275015 1039042715 /nfs/dbraw/zinc/04/27/15/1039042715.db2.gz LABRAUOZAMVQSM-IBGZPJMESA-N 1 3 398.572 3.939 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@@H]3CCCN(C)CC3)ccc12 ZINC001254510232 1040288133 /nfs/dbraw/zinc/28/81/33/1040288133.db2.gz UAFLSGHXFFCVFR-XLIONFOSSA-N 1 3 399.535 3.529 20 0 GHADHO C[N@@H+]1CCC[C@H](N2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518720 1040292790 /nfs/dbraw/zinc/29/27/90/1040292790.db2.gz DKPTUPGFGVYFMA-SFTDATJTSA-N 1 3 399.579 3.807 20 0 GHADHO C[N@H+]1CCC[C@H](N2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518720 1040292799 /nfs/dbraw/zinc/29/27/99/1040292799.db2.gz DKPTUPGFGVYFMA-SFTDATJTSA-N 1 3 399.579 3.807 20 0 GHADHO C[N@@H+]1CCC[C@H](N2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518717 1040294474 /nfs/dbraw/zinc/29/44/74/1040294474.db2.gz DKPTUPGFGVYFMA-LEWJYISDSA-N 1 3 399.579 3.807 20 0 GHADHO C[N@H+]1CCC[C@H](N2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518717 1040294485 /nfs/dbraw/zinc/29/44/85/1040294485.db2.gz DKPTUPGFGVYFMA-LEWJYISDSA-N 1 3 399.579 3.807 20 0 GHADHO CCOC(=O)c1cc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)c[nH]1 ZINC001234947717 1040450084 /nfs/dbraw/zinc/45/00/84/1040450084.db2.gz VEKIAUOHNSPRSM-FQEVSTJZSA-N 1 3 385.508 3.661 20 0 GHADHO CCOC(=O)c1cc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)c[nH]1 ZINC001234947717 1040450090 /nfs/dbraw/zinc/45/00/90/1040450090.db2.gz VEKIAUOHNSPRSM-FQEVSTJZSA-N 1 3 385.508 3.661 20 0 GHADHO CCCCN(C)CCC[NH2+]C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254714210 1040473040 /nfs/dbraw/zinc/47/30/40/1040473040.db2.gz BDJNOOWFJNGQLX-UHFFFAOYSA-N 1 3 397.604 3.647 20 0 GHADHO COc1cc(OC)c(C[N@@H+]2CC[C@]3(C2)CNCCC3(F)F)c2ccccc12 ZINC001235091661 1040581466 /nfs/dbraw/zinc/58/14/66/1040581466.db2.gz HAJILVBHUPQRHO-HXUWFJFHSA-N 1 3 376.447 3.678 20 0 GHADHO COc1cc(OC)c(C[N@H+]2CC[C@]3(C2)CNCCC3(F)F)c2ccccc12 ZINC001235091661 1040581473 /nfs/dbraw/zinc/58/14/73/1040581473.db2.gz HAJILVBHUPQRHO-HXUWFJFHSA-N 1 3 376.447 3.678 20 0 GHADHO Cc1cncc(Br)c1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235092770 1040582723 /nfs/dbraw/zinc/58/27/23/1040582723.db2.gz ZWNDFMKHQRAUFO-UHFFFAOYSA-N 1 3 386.337 3.790 20 0 GHADHO CC(C)Oc1cc(CN2CCC3(CC[NH2+]CC3)CC2)c(Br)cn1 ZINC001235134204 1040628966 /nfs/dbraw/zinc/62/89/66/1040628966.db2.gz VKLWLDWUEFAQSP-UHFFFAOYSA-N 1 3 382.346 3.597 20 0 GHADHO Cc1ccc(I)c(CN2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001235133647 1040629220 /nfs/dbraw/zinc/62/92/20/1040629220.db2.gz QXLVKLFGRMSLRO-UHFFFAOYSA-N 1 3 384.305 3.565 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH+]3CCC(N4CCCCC4)CC3)C[C@@H]2C1 ZINC001254899624 1040654974 /nfs/dbraw/zinc/65/49/74/1040654974.db2.gz IZCPDTLVGWPGFJ-RUYXUALKSA-N 1 3 377.573 3.582 20 0 GHADHO CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC[C@H](C2C[NH2+]C2)C1 ZINC001235338541 1040807477 /nfs/dbraw/zinc/80/74/77/1040807477.db2.gz BDXXHISZXNURHR-NSHDSACASA-N 1 3 396.318 3.693 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255123569 1040815611 /nfs/dbraw/zinc/81/56/11/1040815611.db2.gz CWRHYUIYQZUULU-MXEMCNAFSA-N 1 3 385.552 3.781 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123569 1040815619 /nfs/dbraw/zinc/81/56/19/1040815619.db2.gz CWRHYUIYQZUULU-MXEMCNAFSA-N 1 3 385.552 3.781 20 0 GHADHO CC(=O)Nc1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(C)c1 ZINC001235372816 1040879016 /nfs/dbraw/zinc/87/90/16/1040879016.db2.gz VEBYQLBMESSPKF-LADGPHEKSA-N 1 3 377.532 3.707 20 0 GHADHO CCOC(=O)c1ccc(CCCN2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235377192 1040889353 /nfs/dbraw/zinc/88/93/53/1040889353.db2.gz CAWWIVDLWKWANB-NOZRDPDXSA-N 1 3 392.543 3.875 20 0 GHADHO Ic1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235427855 1040928878 /nfs/dbraw/zinc/92/88/78/1040928878.db2.gz UDNKSDDUJMSEIF-HOTGVXAUSA-N 1 3 384.305 3.503 20 0 GHADHO c1ccc(CN2CCC[C@H]([NH2+]Cc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC001255381945 1040972834 /nfs/dbraw/zinc/97/28/34/1040972834.db2.gz ABKAYQCJACPMLR-VWLOTQADSA-N 1 3 393.575 3.663 20 0 GHADHO CCOC(=O)[C@@H](CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391784 1040980135 /nfs/dbraw/zinc/98/01/35/1040980135.db2.gz TYNQCRVOCCFIRO-PKTZIBPZSA-N 1 3 380.532 3.978 20 0 GHADHO CCOC(=O)[C@@H](CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391784 1040980136 /nfs/dbraw/zinc/98/01/36/1040980136.db2.gz TYNQCRVOCCFIRO-PKTZIBPZSA-N 1 3 380.532 3.978 20 0 GHADHO COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409857 1041000613 /nfs/dbraw/zinc/00/06/13/1041000613.db2.gz LWFICUOTWKPENO-NHCUHLMSSA-N 1 3 381.520 3.598 20 0 GHADHO COc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409857 1041000645 /nfs/dbraw/zinc/00/06/45/1041000645.db2.gz LWFICUOTWKPENO-NHCUHLMSSA-N 1 3 381.520 3.598 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001255606797 1041160777 /nfs/dbraw/zinc/16/07/77/1041160777.db2.gz FWUMGRADYLTYQT-NFBKMPQASA-N 1 3 385.552 3.594 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001255606797 1041160783 /nfs/dbraw/zinc/16/07/83/1041160783.db2.gz FWUMGRADYLTYQT-NFBKMPQASA-N 1 3 385.552 3.594 20 0 GHADHO Brc1ccnc2[nH]cc(CN3CCC(C4CC[NH2+]CC4)CC3)c21 ZINC001235701887 1041179828 /nfs/dbraw/zinc/17/98/28/1041179828.db2.gz MUCKAEDBHBKLII-UHFFFAOYSA-N 1 3 377.330 3.537 20 0 GHADHO FC(F)(F)Oc1ccc2nc(CN3CCC(C4CC[NH2+]CC4)CC3)[nH]c2c1 ZINC001235702662 1041182090 /nfs/dbraw/zinc/18/20/90/1041182090.db2.gz NUYWXHTWFZYXKB-UHFFFAOYSA-N 1 3 382.430 3.673 20 0 GHADHO Cc1nc(CN2CCCC23CCN(C2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CC3)cs1 ZINC001255678177 1041211097 /nfs/dbraw/zinc/21/10/97/1041211097.db2.gz VSNTWXLYTDJNOS-WCRBZPEASA-N 1 3 388.625 3.897 20 0 GHADHO Cc1nc(CN2CCCC23CCN(C2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)cs1 ZINC001255678177 1041211113 /nfs/dbraw/zinc/21/11/13/1041211113.db2.gz VSNTWXLYTDJNOS-WCRBZPEASA-N 1 3 388.625 3.897 20 0 GHADHO CC[NH+](CC)CC[C@H](C)NC[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001255940527 1041427557 /nfs/dbraw/zinc/42/75/57/1041427557.db2.gz CXIBBNQIDWLKNN-RBUKOAKNSA-N 1 3 397.604 3.645 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001255940527 1041427564 /nfs/dbraw/zinc/42/75/64/1041427564.db2.gz CXIBBNQIDWLKNN-RBUKOAKNSA-N 1 3 397.604 3.645 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255941475 1041429289 /nfs/dbraw/zinc/42/92/89/1041429289.db2.gz RNNQZEPXWBPVFL-RTBURBONSA-N 1 3 397.604 3.503 20 0 GHADHO CC[NH+](CC)CC[C@H](C)NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255945374 1041430431 /nfs/dbraw/zinc/43/04/31/1041430431.db2.gz DNFWLXOOVROYLD-QFBILLFUSA-N 1 3 391.547 3.979 20 0 GHADHO Clc1ccc([C@@H]2CCN(Cc3cnc4cc(C5CC[NH2+]CC5)nn4c3)C2)cc1 ZINC001235947371 1041454622 /nfs/dbraw/zinc/45/46/22/1041454622.db2.gz IWRHVNZDRIGAGH-LJQANCHMSA-N 1 3 395.938 3.839 20 0 GHADHO CCOc1cc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1OC(C)=O ZINC001235972784 1041477741 /nfs/dbraw/zinc/47/77/41/1041477741.db2.gz BNEVGAGSYRUIDQ-UHFFFAOYSA-N 1 3 394.515 3.648 20 0 GHADHO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC001256069335 1041505047 /nfs/dbraw/zinc/50/50/47/1041505047.db2.gz AROPKGUQKCNGQP-NRFANRHFSA-N 1 3 385.552 3.565 20 0 GHADHO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001256179856 1041624985 /nfs/dbraw/zinc/62/49/85/1041624985.db2.gz XDNZPKAFZCCHBX-ATZDWAIDSA-N 1 3 381.358 3.613 20 0 GHADHO O=C(NC1CC[NH2+]CC1)c1ccccc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236250544 1041642380 /nfs/dbraw/zinc/64/23/80/1041642380.db2.gz HLXFTTBSYXDXEH-UHFFFAOYSA-N 1 3 395.522 3.960 20 0 GHADHO Cn1c(Br)ccc1CN(Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236384907 1041692645 /nfs/dbraw/zinc/69/26/45/1041692645.db2.gz JEXWPCNBEGBAIT-UHFFFAOYSA-N 1 3 394.332 3.929 20 0 GHADHO COc1ccc2nc(CN(Cc3ccc(F)cc3)CC3CC[NH2+]CC3)[nH]c2c1 ZINC001236385877 1041693328 /nfs/dbraw/zinc/69/33/28/1041693328.db2.gz IZLJOCQMXWVETG-UHFFFAOYSA-N 1 3 382.483 3.712 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[C@H](Oc2cccc(F)c2)C1 ZINC001236951708 1041968661 /nfs/dbraw/zinc/96/86/61/1041968661.db2.gz ZWEQYMCFEYAPIV-SFHVURJKSA-N 1 3 375.513 3.711 20 0 GHADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC(C)(C(=O)N4CCCC4)CC3)cc21 ZINC001237886730 1042410258 /nfs/dbraw/zinc/41/02/58/1042410258.db2.gz QUTNSNHJZWBMIL-UHFFFAOYSA-N 1 3 381.564 3.912 20 0 GHADHO Cn1nncc1CN1CCCCC2(C1)CCC[NH+](Cc1ccccc1)CCC2 ZINC001238156766 1042507092 /nfs/dbraw/zinc/50/70/92/1042507092.db2.gz XVEYHITWWIAQKN-UHFFFAOYSA-N 1 3 381.568 3.864 20 0 GHADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001462633273 1070430413 /nfs/dbraw/zinc/43/04/13/1070430413.db2.gz GUNAJIYXHMBWBS-AJSBUHFISA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001462633273 1070430418 /nfs/dbraw/zinc/43/04/18/1070430418.db2.gz GUNAJIYXHMBWBS-AJSBUHFISA-N 1 3 380.532 3.804 20 0 GHADHO CN(C)CCN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC001239308404 1042806303 /nfs/dbraw/zinc/80/63/03/1042806303.db2.gz YSAACCNEEJQUKB-ZDUSSCGKSA-N 1 3 392.853 3.506 20 0 GHADHO CN(C)CCN(C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001239308267 1042806504 /nfs/dbraw/zinc/80/65/04/1042806504.db2.gz VYBCLCSWTZHEMI-CYBMUJFWSA-N 1 3 392.853 3.506 20 0 GHADHO CC[NH+](CC)Cc1cc(OC)ccc1-c1cccc(CN2CCN(C)CC2)c1 ZINC001240305707 1042920241 /nfs/dbraw/zinc/92/02/41/1042920241.db2.gz QBRSQLRHRZNLMX-UHFFFAOYSA-N 1 3 381.564 3.951 20 0 GHADHO CN1CCN(C2(c3ccc(-c4ccc(C[NH+]5CCCCC5)cn4)cc3)CC2)CC1 ZINC001240595927 1042945064 /nfs/dbraw/zinc/94/50/64/1042945064.db2.gz HYCMMLFTWBJIDS-UHFFFAOYSA-N 1 3 390.575 3.971 20 0 GHADHO CN1CCN(C2(c3ccc(-c4ccc(OCC[NH+](C)C)c(F)c4)cc3)CC2)CC1 ZINC001240597007 1042945381 /nfs/dbraw/zinc/94/53/81/1042945381.db2.gz ZTKZILWEQXCFRD-UHFFFAOYSA-N 1 3 397.538 3.670 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256564006 1043538539 /nfs/dbraw/zinc/53/85/39/1043538539.db2.gz MVTKXEQDGNMIBW-JJTKIYQPSA-N 1 3 379.589 3.732 20 0 GHADHO c1ccc(-c2ccc(OCC[NH2+]C3CCC(N4CCOCC4)CC3)cc2)cc1 ZINC001256682194 1043619574 /nfs/dbraw/zinc/61/95/74/1043619574.db2.gz FXTTZWJBFFPTFO-UHFFFAOYSA-N 1 3 380.532 3.965 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808114 1043664812 /nfs/dbraw/zinc/66/48/12/1043664812.db2.gz DSMDISNRPOJEQJ-NAVOZUGXSA-N 1 3 384.564 3.587 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808114 1043664819 /nfs/dbraw/zinc/66/48/19/1043664819.db2.gz DSMDISNRPOJEQJ-NAVOZUGXSA-N 1 3 384.564 3.587 20 0 GHADHO C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001256837045 1043686782 /nfs/dbraw/zinc/68/67/82/1043686782.db2.gz WBKYVCBJVZOWLX-SZMVWBNQSA-N 1 3 381.358 3.613 20 0 GHADHO COC1CCN(C2CC[NH+]([C@H](C)Cc3ccc(Br)cc3)CC2)CC1 ZINC001257566797 1044051977 /nfs/dbraw/zinc/05/19/77/1044051977.db2.gz HAZAZGLBTYDRIT-MRXNPFEDSA-N 1 3 395.385 3.955 20 0 GHADHO CCN(C)C1CC[NH+]([C@@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818026 1044199329 /nfs/dbraw/zinc/19/93/29/1044199329.db2.gz CYZICOGDKADQAI-DENIHFKCSA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@H+](C)C1CCN([C@@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818026 1044199334 /nfs/dbraw/zinc/19/93/34/1044199334.db2.gz CYZICOGDKADQAI-DENIHFKCSA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@@H+](C)C1CCN([C@@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818026 1044199340 /nfs/dbraw/zinc/19/93/40/1044199340.db2.gz CYZICOGDKADQAI-DENIHFKCSA-N 1 3 379.589 3.972 20 0 GHADHO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(NC2=NCCC2)cc1 ZINC001293627085 1044271721 /nfs/dbraw/zinc/27/17/21/1044271721.db2.gz VDTWNSKHYLYDIN-OAQYLSRUSA-N 1 3 376.504 3.685 20 0 GHADHO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(NC2=NCCC2)cc1 ZINC001293627085 1044271736 /nfs/dbraw/zinc/27/17/36/1044271736.db2.gz VDTWNSKHYLYDIN-OAQYLSRUSA-N 1 3 376.504 3.685 20 0 GHADHO CCCC1CCC([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC1 ZINC001258527575 1044608078 /nfs/dbraw/zinc/60/80/78/1044608078.db2.gz IYQRYHDJHAKMPY-KITAHSCOSA-N 1 3 385.596 3.750 20 0 GHADHO CCC[NH+]1CCC(N2CCC3(CCCN3Cc3csc(C)n3)CC2)CC1 ZINC001258773684 1044758919 /nfs/dbraw/zinc/75/89/19/1044758919.db2.gz MTAAMXIWRQJSOX-UHFFFAOYSA-N 1 3 376.614 3.756 20 0 GHADHO CCCC[NH+]1CCC(N(C)[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC001258875304 1044820388 /nfs/dbraw/zinc/82/03/88/1044820388.db2.gz AQUYBLBVWOJMKC-QGZVFWFLSA-N 1 3 378.557 3.840 20 0 GHADHO CCCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001297605262 1045586077 /nfs/dbraw/zinc/58/60/77/1045586077.db2.gz HQGWDIKASGLITD-ICSRJNTNSA-N 1 3 377.598 3.601 20 0 GHADHO CCCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001297605262 1045586079 /nfs/dbraw/zinc/58/60/79/1045586079.db2.gz HQGWDIKASGLITD-ICSRJNTNSA-N 1 3 377.598 3.601 20 0 GHADHO Brc1ccc(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)cc1 ZINC001279142372 1047729382 /nfs/dbraw/zinc/72/93/82/1047729382.db2.gz CSHMNSMAHOFWQG-RBUKOAKNSA-N 1 3 389.341 3.897 20 0 GHADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(-n4ccnc4)c(Br)c3)(C1)CCC2 ZINC001279331931 1047770330 /nfs/dbraw/zinc/77/03/30/1047770330.db2.gz ZCLUAIDFIFJOGG-RBUKOAKNSA-N 1 3 389.341 3.789 20 0 GHADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4cc(Cl)cs4)C[C@H]3CC2)n(C)n1 ZINC001279576609 1047844275 /nfs/dbraw/zinc/84/42/75/1047844275.db2.gz APUJIKICINBYNM-IYBDPMFKSA-N 1 3 378.973 3.787 20 0 GHADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4cc(Cl)cs4)C[C@H]3CC2)n(C)n1 ZINC001279576609 1047844286 /nfs/dbraw/zinc/84/42/86/1047844286.db2.gz APUJIKICINBYNM-IYBDPMFKSA-N 1 3 378.973 3.787 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@H](CC(C)C)[NH+](C)C ZINC001305417687 1048037274 /nfs/dbraw/zinc/03/72/74/1048037274.db2.gz ZOWQPBRNCHMLDS-MUGJNUQGSA-N 1 3 392.636 3.687 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC001306869287 1048936940 /nfs/dbraw/zinc/93/69/40/1048936940.db2.gz ZAJFHHXCQXQZKO-JOCHJYFZSA-N 1 3 397.563 3.761 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001306869287 1048936943 /nfs/dbraw/zinc/93/69/43/1048936943.db2.gz ZAJFHHXCQXQZKO-JOCHJYFZSA-N 1 3 397.563 3.761 20 0 GHADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518730 1049361990 /nfs/dbraw/zinc/36/19/90/1049361990.db2.gz VVUPLTCDVXHSFZ-WOJBJXKFSA-N 1 3 379.589 3.687 20 0 GHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518730 1049362005 /nfs/dbraw/zinc/36/20/05/1049362005.db2.gz VVUPLTCDVXHSFZ-WOJBJXKFSA-N 1 3 379.589 3.687 20 0 GHADHO CCOc1ccc(C[NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)c(C)c1 ZINC001308202524 1049911343 /nfs/dbraw/zinc/91/13/43/1049911343.db2.gz GNNFXTLQICGFCR-UHFFFAOYSA-N 1 3 381.564 3.821 20 0 GHADHO C[NH+](C)CCOc1cccc(CNCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC001308208468 1049912931 /nfs/dbraw/zinc/91/29/31/1049912931.db2.gz FCVNDFLZTAOZRE-UHFFFAOYSA-N 1 3 390.911 3.732 20 0 GHADHO Cn1nnc2cc(C[NH2+]CC3CCN(Cc4ccccc4Cl)CC3)ccc21 ZINC001308250676 1049926722 /nfs/dbraw/zinc/92/67/22/1049926722.db2.gz JTHFOMHJZOYMRT-UHFFFAOYSA-N 1 3 383.927 3.624 20 0 GHADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3cn(C4CC4)cn3)cc2)C[C@H]1C ZINC001308352513 1049956374 /nfs/dbraw/zinc/95/63/74/1049956374.db2.gz FEJUIQDTFUDGIZ-RTBURBONSA-N 1 3 382.552 3.517 20 0 GHADHO CC[N@H+](CCCNC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001308850087 1050122984 /nfs/dbraw/zinc/12/29/84/1050122984.db2.gz FKNGNVUCQYGSPW-AVRDEDQJSA-N 1 3 379.589 3.878 20 0 GHADHO CC[N@@H+](CCCNC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001308850087 1050122988 /nfs/dbraw/zinc/12/29/88/1050122988.db2.gz FKNGNVUCQYGSPW-AVRDEDQJSA-N 1 3 379.589 3.878 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001336135203 1052231235 /nfs/dbraw/zinc/23/12/35/1052231235.db2.gz GTZNNMXLRFPVDO-HRSYOHRGSA-N 1 3 394.559 3.646 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001336135203 1052231245 /nfs/dbraw/zinc/23/12/45/1052231245.db2.gz GTZNNMXLRFPVDO-HRSYOHRGSA-N 1 3 394.559 3.646 20 0 GHADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001312012073 1052527626 /nfs/dbraw/zinc/52/76/26/1052527626.db2.gz LNWVNAVYKZTDFQ-SFTDATJTSA-N 1 3 386.584 3.633 20 0 GHADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001312012073 1052527634 /nfs/dbraw/zinc/52/76/34/1052527634.db2.gz LNWVNAVYKZTDFQ-SFTDATJTSA-N 1 3 386.584 3.633 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC001312353778 1052709165 /nfs/dbraw/zinc/70/91/65/1052709165.db2.gz GIWYZQQHWPBDIU-UHFFFAOYSA-N 1 3 378.605 3.545 20 0 GHADHO O=C(c1cccc2c1CNC2)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001342989916 1053482219 /nfs/dbraw/zinc/48/22/19/1053482219.db2.gz NFULQIQGBONZKW-UHFFFAOYSA-N 1 3 375.516 3.517 20 0 GHADHO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC001319776070 1055460849 /nfs/dbraw/zinc/46/08/49/1055460849.db2.gz GCXOTOORWMNNGO-HXUWFJFHSA-N 1 3 379.548 3.541 20 0 GHADHO Clc1cnn(C2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)c1 ZINC001319938239 1055552190 /nfs/dbraw/zinc/55/21/90/1055552190.db2.gz AXZASGUKIWLSPJ-UHFFFAOYSA-N 1 3 388.943 3.848 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N2CCCC3(CC[NH2+]CC3)C2)c2ccccc2)CC1 ZINC001325354222 1057317417 /nfs/dbraw/zinc/31/74/17/1057317417.db2.gz HMKZPFKRMNVTRV-QFIPXVFZSA-N 1 3 398.595 3.635 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001326227292 1057438009 /nfs/dbraw/zinc/43/80/09/1057438009.db2.gz JRRDPZOSRYGKII-IRLDBZIGSA-N 1 3 383.580 3.588 20 0 GHADHO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000849061129 1057572626 /nfs/dbraw/zinc/57/26/26/1057572626.db2.gz RZEKNCLAXIAQMV-UHFFFAOYSA-N 1 3 393.579 3.695 20 0 GHADHO CCc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)sc1-c1ccccc1 ZINC001453210655 1061094973 /nfs/dbraw/zinc/09/49/73/1061094973.db2.gz MRMWASMLNRDNBO-KRWDZBQOSA-N 1 3 387.593 3.979 20 0 GHADHO CCc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc1-c1ccccc1 ZINC001453210655 1061094990 /nfs/dbraw/zinc/09/49/90/1061094990.db2.gz MRMWASMLNRDNBO-KRWDZBQOSA-N 1 3 387.593 3.979 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc([C@@H]4CCC[N@@H+](C)C4)c3)C2)cc1 ZINC001457981692 1063483186 /nfs/dbraw/zinc/48/31/86/1063483186.db2.gz SNCLOLFNVNTMIF-DNQXCXABSA-N 1 3 391.559 3.809 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc([C@@H]4CCC[N@H+](C)C4)c3)C2)cc1 ZINC001457981692 1063483210 /nfs/dbraw/zinc/48/32/10/1063483210.db2.gz SNCLOLFNVNTMIF-DNQXCXABSA-N 1 3 391.559 3.809 20 0 GHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001468344261 1067694843 /nfs/dbraw/zinc/69/48/43/1067694843.db2.gz CVRSFSHXBIGXAR-JOCHJYFZSA-N 1 3 385.596 3.520 20 0 GHADHO COc1cccc(C(C)(C)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849107678 1067731402 /nfs/dbraw/zinc/73/14/02/1067731402.db2.gz KGZVAABJYGMDEO-UHFFFAOYSA-N 1 3 394.563 3.751 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NCC[C@H](C)[NH+]3CCCCC3)CC2)CC1 ZINC001478418578 1078860056 /nfs/dbraw/zinc/86/00/56/1078860056.db2.gz NWMBIAVZTSDLCO-HWELCPFYSA-N 1 3 392.632 3.793 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC001478772726 1078983166 /nfs/dbraw/zinc/98/31/66/1078983166.db2.gz YGHNZQRLYMFDHE-NHCUHLMSSA-N 1 3 388.600 3.660 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC001478772726 1078983168 /nfs/dbraw/zinc/98/31/68/1078983168.db2.gz YGHNZQRLYMFDHE-NHCUHLMSSA-N 1 3 388.600 3.660 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001471108512 1072925489 /nfs/dbraw/zinc/92/54/89/1072925489.db2.gz IPTODLWJHANFCT-XZOQPEGZSA-N 1 3 398.595 3.701 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001478957569 1079039451 /nfs/dbraw/zinc/03/94/51/1079039451.db2.gz ROARSQVPEWYSKS-BVSLBCMMSA-N 1 3 388.600 3.674 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001478957569 1079039459 /nfs/dbraw/zinc/03/94/59/1079039459.db2.gz ROARSQVPEWYSKS-BVSLBCMMSA-N 1 3 388.600 3.674 20 0 GHADHO COCC[C@@H](c1ccccc1)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001473251833 1073890580 /nfs/dbraw/zinc/89/05/80/1073890580.db2.gz XOAIMSYGQVCQLF-QFIPXVFZSA-N 1 3 397.563 3.527 20 0 GHADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473719493 1074106124 /nfs/dbraw/zinc/10/61/24/1074106124.db2.gz XJJTYYQJGNVABA-HTDNTCHWSA-N 1 3 384.564 3.810 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CCC3)CC2)CC1 ZINC001473743434 1074119590 /nfs/dbraw/zinc/11/95/90/1074119590.db2.gz SMUXAGHPUSFZCM-QFIPXVFZSA-N 1 3 397.607 3.978 20 0 GHADHO CCOC(=O)[C@@H]1C[C@H]1CN[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001473844423 1074171192 /nfs/dbraw/zinc/17/11/92/1074171192.db2.gz CZHDHSMIRPBAOI-ONTNHIFESA-N 1 3 392.543 3.834 20 0 GHADHO CCOC(=O)[C@@H]1C[C@H]1CN[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001473844423 1074171198 /nfs/dbraw/zinc/17/11/98/1074171198.db2.gz CZHDHSMIRPBAOI-ONTNHIFESA-N 1 3 392.543 3.834 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC001474235952 1074303871 /nfs/dbraw/zinc/30/38/71/1074303871.db2.gz ZZYCOPRRACJCLI-HKUYNNGSSA-N 1 3 383.502 3.761 20 0 GHADHO Cc1ccc([C@H](C)CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001474515691 1074443743 /nfs/dbraw/zinc/44/37/43/1074443743.db2.gz YKBJYVQXCMLULH-RDGATRHJSA-N 1 3 377.576 3.991 20 0 GHADHO Cc1ccc([C@H](C)CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001474515691 1074443747 /nfs/dbraw/zinc/44/37/47/1074443747.db2.gz YKBJYVQXCMLULH-RDGATRHJSA-N 1 3 377.576 3.991 20 0 GHADHO CN(C)Cc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c2c1OC(F)(F)O2 ZINC001474672331 1074508553 /nfs/dbraw/zinc/50/85/53/1074508553.db2.gz CPCUOAHGRPAEBG-GOSISDBHSA-N 1 3 396.478 3.993 20 0 GHADHO CN(C)Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c2c1OC(F)(F)O2 ZINC001474672331 1074508556 /nfs/dbraw/zinc/50/85/56/1074508556.db2.gz CPCUOAHGRPAEBG-GOSISDBHSA-N 1 3 396.478 3.993 20 0 GHADHO c1coc(COCc2cccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)c2)c1 ZINC000655689032 837610296 /nfs/dbraw/zinc/61/02/96/837610296.db2.gz RPPGSODZDQJTJP-QFIPXVFZSA-N 1 3 384.520 3.729 20 0 GHADHO c1coc(COCc2cccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)c2)c1 ZINC000655689029 837610554 /nfs/dbraw/zinc/61/05/54/837610554.db2.gz RPPGSODZDQJTJP-JOCHJYFZSA-N 1 3 384.520 3.729 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177000363 837701570 /nfs/dbraw/zinc/70/15/70/837701570.db2.gz JKIIVIGPRSTNOU-GCJKJVERSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177000363 837701581 /nfs/dbraw/zinc/70/15/81/837701581.db2.gz JKIIVIGPRSTNOU-GCJKJVERSA-N 1 3 380.536 3.923 20 0 GHADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000584427182 834578974 /nfs/dbraw/zinc/57/89/74/834578974.db2.gz KVPZTWTUGGZMPX-KRWDZBQOSA-N 1 3 380.374 3.880 20 0 GHADHO C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471131649 834867565 /nfs/dbraw/zinc/86/75/65/834867565.db2.gz SHVIFEKZEWVNNZ-IERDGZPVSA-N 1 3 379.504 3.916 20 0 GHADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000143109982 835107842 /nfs/dbraw/zinc/10/78/42/835107842.db2.gz QFHPABIEDQUVBB-QHCPKHFHSA-N 1 3 377.532 3.677 20 0 GHADHO C[N@@H+]1CCC[C@H](CN2CCC(c3nc4ccc(-c5ccsc5)cn4n3)CC2)C1 ZINC001208606320 835207686 /nfs/dbraw/zinc/20/76/86/835207686.db2.gz FCOSRNPBXBFSCO-KRWDZBQOSA-N 1 3 395.576 3.979 20 0 GHADHO C[N@H+]1CCC[C@H](CN2CCC(c3nc4ccc(-c5ccsc5)cn4n3)CC2)C1 ZINC001208606320 835207689 /nfs/dbraw/zinc/20/76/89/835207689.db2.gz FCOSRNPBXBFSCO-KRWDZBQOSA-N 1 3 395.576 3.979 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665251 835286296 /nfs/dbraw/zinc/28/62/96/835286296.db2.gz YXFAIMWZGUHPDB-TZIWHRDSSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665251 835286303 /nfs/dbraw/zinc/28/63/03/835286303.db2.gz YXFAIMWZGUHPDB-TZIWHRDSSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665251 835286308 /nfs/dbraw/zinc/28/63/08/835286308.db2.gz YXFAIMWZGUHPDB-TZIWHRDSSA-N 1 3 390.535 3.615 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1Br ZINC000132745547 835414780 /nfs/dbraw/zinc/41/47/80/835414780.db2.gz REGZLMMPGBUOBT-CABCVRRESA-N 1 3 397.357 3.609 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142207 835453679 /nfs/dbraw/zinc/45/36/79/835453679.db2.gz DMBWYDZFJFSNHP-KXBFYZLASA-N 1 3 376.447 3.705 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142207 835453684 /nfs/dbraw/zinc/45/36/84/835453684.db2.gz DMBWYDZFJFSNHP-KXBFYZLASA-N 1 3 376.447 3.705 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000584047271 835503165 /nfs/dbraw/zinc/50/31/65/835503165.db2.gz CUVAHGPHMMMNJI-SNVBAGLBSA-N 1 3 387.837 3.679 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274923188 835826880 /nfs/dbraw/zinc/82/68/80/835826880.db2.gz PMLFAKTVLRERLC-OFNKIYASSA-N 1 3 391.559 3.809 20 0 GHADHO COc1cccc([C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)N2CCCC2)c1 ZINC000431651451 836139943 /nfs/dbraw/zinc/13/99/43/836139943.db2.gz JUTNVQPCDJUSFA-XZOQPEGZSA-N 1 3 395.547 3.641 20 0 GHADHO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483675 844153474 /nfs/dbraw/zinc/15/34/74/844153474.db2.gz IFANADGNQXZXAA-ILWGZMRPSA-N 1 3 399.604 3.622 20 0 GHADHO C[C@H]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000174869828 836578945 /nfs/dbraw/zinc/57/89/45/836578945.db2.gz XCZUIHLUQKWTBY-IBGZPJMESA-N 1 3 380.536 3.877 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)cc1N(C)C ZINC000414304262 836990942 /nfs/dbraw/zinc/99/09/42/836990942.db2.gz MCPISABIADOMQQ-GOSISDBHSA-N 1 3 385.527 3.569 20 0 GHADHO COC[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000414304395 836991059 /nfs/dbraw/zinc/99/10/59/836991059.db2.gz MHUWUVYLOBTWOB-NRFANRHFSA-N 1 3 388.939 3.644 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659031736 837314544 /nfs/dbraw/zinc/31/45/44/837314544.db2.gz OKFRXISRUOKJOS-JOCHJYFZSA-N 1 3 396.535 3.511 20 0 GHADHO CC1(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000659364084 838324420 /nfs/dbraw/zinc/32/44/20/838324420.db2.gz HAQQRPMGFMDUPO-JOCHJYFZSA-N 1 3 393.531 3.588 20 0 GHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415994867 838372353 /nfs/dbraw/zinc/37/23/53/838372353.db2.gz JADRAOOLIOESRV-IBGZPJMESA-N 1 3 378.520 3.666 20 0 GHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415994867 838372363 /nfs/dbraw/zinc/37/23/63/838372363.db2.gz JADRAOOLIOESRV-IBGZPJMESA-N 1 3 378.520 3.666 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)N(C)C)cc1 ZINC000416014899 838405052 /nfs/dbraw/zinc/40/50/52/838405052.db2.gz SZCHSIUVZFSJKV-OAQYLSRUSA-N 1 3 382.508 3.501 20 0 GHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c(-c2ccnn2C)c1 ZINC000549401530 838642941 /nfs/dbraw/zinc/64/29/41/838642941.db2.gz LKVOKZXBEVJHOG-BGYRXZFFSA-N 1 3 396.579 3.717 20 0 GHADHO CC[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000188206295 838709958 /nfs/dbraw/zinc/70/99/58/838709958.db2.gz IARNOYMHLMODQH-QFIPXVFZSA-N 1 3 383.511 3.892 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000415074225 839171645 /nfs/dbraw/zinc/17/16/45/839171645.db2.gz ZWVROQDQMSKEMA-QGZVFWFLSA-N 1 3 398.576 3.619 20 0 GHADHO CCCCCOc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415117231 839228814 /nfs/dbraw/zinc/22/88/14/839228814.db2.gz BZMDHRKWRNGECZ-UNMCSNQZSA-N 1 3 390.568 3.983 20 0 GHADHO [NH3+]C1(CNCc2ccccc2OC(F)(F)F)CCN(Cc2ccccc2)CC1 ZINC000415125434 839246853 /nfs/dbraw/zinc/24/68/53/839246853.db2.gz DWJQVXNXKGOQTF-UHFFFAOYSA-N 1 3 393.453 3.668 20 0 GHADHO CC(C)Sc1cc(Br)ccc1CNCCOCC[NH+](C)C ZINC000471558086 839298560 /nfs/dbraw/zinc/29/85/60/839298560.db2.gz IVYPRJOZQIHFBN-UHFFFAOYSA-N 1 3 375.376 3.617 20 0 GHADHO CCN(C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418482369 840301592 /nfs/dbraw/zinc/30/15/92/840301592.db2.gz FAUSMHDWYZAISS-AVRDEDQJSA-N 1 3 380.536 3.512 20 0 GHADHO COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000580850658 840338064 /nfs/dbraw/zinc/33/80/64/840338064.db2.gz VMTIIIVTONUFEL-HSZRJFAPSA-N 1 3 395.547 3.714 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417222532 840617076 /nfs/dbraw/zinc/61/70/76/840617076.db2.gz QEKZZUMEIPBJRB-COPCDDAFSA-N 1 3 380.536 3.601 20 0 GHADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CNCc2ccccc21 ZINC000563063166 840659784 /nfs/dbraw/zinc/65/97/84/840659784.db2.gz NFANZZHOUVPUCV-HSZRJFAPSA-N 1 3 377.532 3.566 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1 ZINC000497418454 840988674 /nfs/dbraw/zinc/98/86/74/840988674.db2.gz PVOJKJGUALLNRH-DHIUTWEWSA-N 1 3 379.548 3.746 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1 ZINC000497418454 840988678 /nfs/dbraw/zinc/98/86/78/840988678.db2.gz PVOJKJGUALLNRH-DHIUTWEWSA-N 1 3 379.548 3.746 20 0 GHADHO CC[NH+]1CCC(N2CCCN(CCSc3ccc(F)cc3F)CC2)CC1 ZINC000660834041 841222003 /nfs/dbraw/zinc/22/20/03/841222003.db2.gz KLXIKMIMJZIMTQ-UHFFFAOYSA-N 1 3 383.552 3.549 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)c1ccco1 ZINC000418168025 841606348 /nfs/dbraw/zinc/60/63/48/841606348.db2.gz NLRPFACTDHGLTB-DQLDELGASA-N 1 3 394.519 3.861 20 0 GHADHO CN(C)CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000045192366 841610134 /nfs/dbraw/zinc/61/01/34/841610134.db2.gz ADOPMARCMSFBRP-UHFFFAOYSA-N 1 3 394.563 3.556 20 0 GHADHO Cc1ccc([C@H](NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2cccs2)cc1 ZINC000563153653 842055879 /nfs/dbraw/zinc/05/58/79/842055879.db2.gz CRXRMCZTAWLBDI-JTAQYXEDSA-N 1 3 397.588 3.584 20 0 GHADHO Clc1oc2ccccc2c1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663509710 842060343 /nfs/dbraw/zinc/06/03/43/842060343.db2.gz CIAGTCWRBVMFEZ-HNNXBMFYSA-N 1 3 399.926 3.599 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001167827036 842064319 /nfs/dbraw/zinc/06/43/19/842064319.db2.gz RRIVQMKRKWEIJC-QEUVDIPISA-N 1 3 395.613 3.650 20 0 GHADHO CN1CC[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1(C)C ZINC000623643443 861266916 /nfs/dbraw/zinc/26/69/16/861266916.db2.gz YLVNITCHHQTWDF-DENIHFKCSA-N 1 3 377.532 3.846 20 0 GHADHO CC1(C)C[C@@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc21 ZINC000178006880 861294527 /nfs/dbraw/zinc/29/45/27/861294527.db2.gz MZTBXQHDFXNCNM-NZQKXSOJSA-N 1 3 391.559 3.896 20 0 GHADHO CC1(C)C[C@@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc21 ZINC000178006880 861294547 /nfs/dbraw/zinc/29/45/47/861294547.db2.gz MZTBXQHDFXNCNM-NZQKXSOJSA-N 1 3 391.559 3.896 20 0 GHADHO CC(C)N1CC[NH+](CCCN2CC[C@H]2c2ccc(Br)cc2)CC1 ZINC000662092383 842632595 /nfs/dbraw/zinc/63/25/95/842632595.db2.gz LJRWUUIJXUUWIV-IBGZPJMESA-N 1 3 380.374 3.612 20 0 GHADHO Cn1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(C(C)(C)C)n1 ZINC000093969303 842937321 /nfs/dbraw/zinc/93/73/21/842937321.db2.gz DGZPLDAVMZZZHM-UHFFFAOYSA-N 1 3 395.595 3.539 20 0 GHADHO CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccsc1 ZINC000662383869 843182364 /nfs/dbraw/zinc/18/23/64/843182364.db2.gz HPSLHQLVBCLCQM-GHTZIAJQSA-N 1 3 385.577 3.940 20 0 GHADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430923094 843190217 /nfs/dbraw/zinc/19/02/17/843190217.db2.gz BSQFGIVAGWYIDE-UHFFFAOYSA-N 1 3 382.552 3.889 20 0 GHADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cccc4c3CNC4)ccc21 ZINC000662429353 843229643 /nfs/dbraw/zinc/22/96/43/843229643.db2.gz JESXQZZKQVFOAA-UHFFFAOYSA-N 1 3 376.504 3.839 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)CC[N@@H+]1Cc1ccccc1 ZINC000662467451 843295437 /nfs/dbraw/zinc/29/54/37/843295437.db2.gz BBQRUFKTQWRYRI-APWZRJJASA-N 1 3 383.561 3.519 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)CC[N@H+]1Cc1ccccc1 ZINC000662467451 843295443 /nfs/dbraw/zinc/29/54/43/843295443.db2.gz BBQRUFKTQWRYRI-APWZRJJASA-N 1 3 383.561 3.519 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193630 843649427 /nfs/dbraw/zinc/64/94/27/843649427.db2.gz DWAPHFRDPWOVBS-IRLDBZIGSA-N 1 3 386.584 3.633 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193630 843649431 /nfs/dbraw/zinc/64/94/31/843649431.db2.gz DWAPHFRDPWOVBS-IRLDBZIGSA-N 1 3 386.584 3.633 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H](CC(F)(F)F)C(C)C)CC1 ZINC000432788860 843829988 /nfs/dbraw/zinc/82/99/88/843829988.db2.gz NBWWFJMFAIKALH-IBGZPJMESA-N 1 3 399.501 3.642 20 0 GHADHO COC1([C@@H](C)NCc2cc(C[NH2+][C@H](C)C3(OC)CCC3)ccc2F)CCC1 ZINC000412017536 843968225 /nfs/dbraw/zinc/96/82/25/843968225.db2.gz AATYKJQGIXOFGH-IAGOWNOFSA-N 1 3 378.532 3.920 20 0 GHADHO FC(F)(F)c1cnc(OCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000246570097 845201300 /nfs/dbraw/zinc/20/13/00/845201300.db2.gz XWLCGEHSMCGCER-KGLIPLIRSA-N 1 3 377.838 3.739 20 0 GHADHO FC(F)(F)c1cnc(OCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000246570097 845201305 /nfs/dbraw/zinc/20/13/05/845201305.db2.gz XWLCGEHSMCGCER-KGLIPLIRSA-N 1 3 377.838 3.739 20 0 GHADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433118550 845374888 /nfs/dbraw/zinc/37/48/88/845374888.db2.gz XLXRXASXPZPADF-NRFANRHFSA-N 1 3 383.580 3.622 20 0 GHADHO COc1cc(CN2CCC[C@@](C)(OC)C2)cc(C[N@@H+]2CCC[C@](C)(OC)C2)c1 ZINC000433181451 845619126 /nfs/dbraw/zinc/61/91/26/845619126.db2.gz JZHCKSLYQQPQEX-ZRZAMGCNSA-N 1 3 390.568 3.697 20 0 GHADHO COc1cc(CN2CCC[C@@](C)(OC)C2)cc(C[N@H+]2CCC[C@](C)(OC)C2)c1 ZINC000433181451 845619129 /nfs/dbraw/zinc/61/91/29/845619129.db2.gz JZHCKSLYQQPQEX-ZRZAMGCNSA-N 1 3 390.568 3.697 20 0 GHADHO COc1cc(CN2CCC[C@](C)(OC)C2)cc(C[N@@H+]2CCC[C@@](C)(OC)C2)c1 ZINC000433181451 845619134 /nfs/dbraw/zinc/61/91/34/845619134.db2.gz JZHCKSLYQQPQEX-ZRZAMGCNSA-N 1 3 390.568 3.697 20 0 GHADHO COc1cc(CN2CCC[C@](C)(OC)C2)cc(C[N@H+]2CCC[C@@](C)(OC)C2)c1 ZINC000433181451 845619143 /nfs/dbraw/zinc/61/91/43/845619143.db2.gz JZHCKSLYQQPQEX-ZRZAMGCNSA-N 1 3 390.568 3.697 20 0 GHADHO CCOc1c(Cl)cccc1CN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421383643 846200067 /nfs/dbraw/zinc/20/00/67/846200067.db2.gz ZRUBUIXMMASQLS-UHFFFAOYSA-N 1 3 379.976 3.731 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000673771121 861651485 /nfs/dbraw/zinc/65/14/85/861651485.db2.gz URYMOVCIVIXBEP-FQEVSTJZSA-N 1 3 394.563 3.554 20 0 GHADHO Cc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc2cccnc12 ZINC000414524990 846311222 /nfs/dbraw/zinc/31/12/22/846311222.db2.gz LKLZFUVMLVDZFA-UHFFFAOYSA-N 1 3 375.516 3.660 20 0 GHADHO Oc1cc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000414526915 846326174 /nfs/dbraw/zinc/32/61/74/846326174.db2.gz QAHMLBKBQDGHAZ-UHFFFAOYSA-N 1 3 394.437 3.528 20 0 GHADHO COc1ccc2ccccc2c1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414545208 846472253 /nfs/dbraw/zinc/47/22/53/846472253.db2.gz DVEQHEUQLFNTQC-UHFFFAOYSA-N 1 3 390.527 3.965 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000502821976 846515315 /nfs/dbraw/zinc/51/53/15/846515315.db2.gz AOYIJGVEWPJNMK-IRLDBZIGSA-N 1 3 386.584 3.635 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000502821976 846515329 /nfs/dbraw/zinc/51/53/29/846515329.db2.gz AOYIJGVEWPJNMK-IRLDBZIGSA-N 1 3 386.584 3.635 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000502838333 846533090 /nfs/dbraw/zinc/53/30/90/846533090.db2.gz DAHBWOLNBJZVRP-OALUTQOASA-N 1 3 392.613 3.839 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000502838333 846533104 /nfs/dbraw/zinc/53/31/04/846533104.db2.gz DAHBWOLNBJZVRP-OALUTQOASA-N 1 3 392.613 3.839 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H](C)O1 ZINC000657368091 846623678 /nfs/dbraw/zinc/62/36/78/846623678.db2.gz UQUBBKYVGZUTEZ-QZTJIDSGSA-N 1 3 387.499 3.992 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501150360 846698765 /nfs/dbraw/zinc/69/87/65/846698765.db2.gz LNXGLYKDSTWESV-PKOBYXMFSA-N 1 3 380.602 3.695 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501150360 846698771 /nfs/dbraw/zinc/69/87/71/846698771.db2.gz LNXGLYKDSTWESV-PKOBYXMFSA-N 1 3 380.602 3.695 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657386699 846801152 /nfs/dbraw/zinc/80/11/52/846801152.db2.gz JJZJJQZTGQMRIK-VEXUSMLFSA-N 1 3 380.532 3.855 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657386699 846801157 /nfs/dbraw/zinc/80/11/57/846801157.db2.gz JJZJJQZTGQMRIK-VEXUSMLFSA-N 1 3 380.532 3.855 20 0 GHADHO NC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513714124 846903686 /nfs/dbraw/zinc/90/36/86/846903686.db2.gz YQURIZVWTYIGRE-XPWALMASSA-N 1 3 377.532 3.566 20 0 GHADHO NC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513714124 846903693 /nfs/dbraw/zinc/90/36/93/846903693.db2.gz YQURIZVWTYIGRE-XPWALMASSA-N 1 3 377.532 3.566 20 0 GHADHO C[N@H+](CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000501574961 847032682 /nfs/dbraw/zinc/03/26/82/847032682.db2.gz UXCGBPMAFXFLOZ-QFIPXVFZSA-N 1 3 386.584 3.777 20 0 GHADHO C[N@@H+](CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000501574961 847032692 /nfs/dbraw/zinc/03/26/92/847032692.db2.gz UXCGBPMAFXFLOZ-QFIPXVFZSA-N 1 3 386.584 3.777 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000272905238 847204647 /nfs/dbraw/zinc/20/46/47/847204647.db2.gz QIWAFSHOTNHKMP-PXNSSMCTSA-N 1 3 393.597 3.687 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000501828455 847219607 /nfs/dbraw/zinc/21/96/07/847219607.db2.gz PJLFVQKFWBKIGF-RBBKRZOGSA-N 1 3 386.584 3.635 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000501828455 847219619 /nfs/dbraw/zinc/21/96/19/847219619.db2.gz PJLFVQKFWBKIGF-RBBKRZOGSA-N 1 3 386.584 3.635 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000502158450 847561991 /nfs/dbraw/zinc/56/19/91/847561991.db2.gz POESXWSECYAZPU-KOUHRCEDSA-N 1 3 398.551 3.529 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000502158450 847561998 /nfs/dbraw/zinc/56/19/98/847561998.db2.gz POESXWSECYAZPU-KOUHRCEDSA-N 1 3 398.551 3.529 20 0 GHADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000420986795 847593951 /nfs/dbraw/zinc/59/39/51/847593951.db2.gz ZBBBGQAHBVTOLR-KRWDZBQOSA-N 1 3 381.511 3.841 20 0 GHADHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000420986795 847593956 /nfs/dbraw/zinc/59/39/56/847593956.db2.gz ZBBBGQAHBVTOLR-KRWDZBQOSA-N 1 3 381.511 3.841 20 0 GHADHO C[C@@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CCCCN1 ZINC000422895066 847889046 /nfs/dbraw/zinc/88/90/46/847889046.db2.gz VETGBDXMJHSTSB-BEFAXECRSA-N 1 3 380.374 3.534 20 0 GHADHO C[C@@H](NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422895066 847889052 /nfs/dbraw/zinc/88/90/52/847889052.db2.gz VETGBDXMJHSTSB-BEFAXECRSA-N 1 3 380.374 3.534 20 0 GHADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Sc1ccc(Br)cc1 ZINC000422961571 847904912 /nfs/dbraw/zinc/90/49/12/847904912.db2.gz ZGSVLTROWRPUAL-BNEJOLLZSA-N 1 3 399.398 3.676 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000422943959 847907281 /nfs/dbraw/zinc/90/72/81/847907281.db2.gz LSLHTQTZOYGRRS-OUYJLQGDSA-N 1 3 393.575 3.879 20 0 GHADHO Clc1ccc(-c2nc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000423016493 847938764 /nfs/dbraw/zinc/93/87/64/847938764.db2.gz TVAHJSYCOSOTED-IPMKNSEASA-N 1 3 391.968 3.753 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000422996152 847941236 /nfs/dbraw/zinc/94/12/36/847941236.db2.gz KZRIKYMXSKTVSP-PRCFCKQXSA-N 1 3 383.536 3.825 20 0 GHADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056584 847955912 /nfs/dbraw/zinc/95/59/12/847955912.db2.gz YOSVUGPJFJMHDD-BEVDRBHNSA-N 1 3 379.470 3.856 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056584 847955916 /nfs/dbraw/zinc/95/59/16/847955916.db2.gz YOSVUGPJFJMHDD-BEVDRBHNSA-N 1 3 379.470 3.856 20 0 GHADHO CCSc1cc(Cl)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000123363467 849108663 /nfs/dbraw/zinc/10/86/63/849108663.db2.gz BKOCZHLZVXVXCF-UHFFFAOYSA-N 1 3 396.000 3.740 20 0 GHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000162846333 849576854 /nfs/dbraw/zinc/57/68/54/849576854.db2.gz LDJIIZZDXOVEBH-KSZLIROESA-N 1 3 388.556 3.511 20 0 GHADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423192835 849798849 /nfs/dbraw/zinc/79/88/49/849798849.db2.gz UZVJXUIDFPWQTF-VQIMIIECSA-N 1 3 380.374 3.521 20 0 GHADHO Cc1c([C@H](C)N[C@@H](C)CCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423446403 849921062 /nfs/dbraw/zinc/92/10/62/849921062.db2.gz YSPZRVMWTRPZEJ-STQMWFEESA-N 1 3 380.334 3.506 20 0 GHADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423856632 850085666 /nfs/dbraw/zinc/08/56/66/850085666.db2.gz XDAKQZOSVPUZCT-QFIPXVFZSA-N 1 3 383.580 3.799 20 0 GHADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423856632 850085672 /nfs/dbraw/zinc/08/56/72/850085672.db2.gz XDAKQZOSVPUZCT-QFIPXVFZSA-N 1 3 383.580 3.799 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000518924972 850337060 /nfs/dbraw/zinc/33/70/60/850337060.db2.gz PRIGTLTXWJYEHF-OAQYLSRUSA-N 1 3 399.623 3.910 20 0 GHADHO C[C@@H]1CC2(CN1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)CC[NH2+]CC2 ZINC000424301628 850342075 /nfs/dbraw/zinc/34/20/75/850342075.db2.gz XWNGRXAEIWKGRY-VGOFRKELSA-N 1 3 387.543 3.637 20 0 GHADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CN(Cc4ccccc4)CC34CCOCC4)C[C@H]2C1 ZINC000424348588 850377782 /nfs/dbraw/zinc/37/77/82/850377782.db2.gz LUPBDCIMVMBNHO-KNOCVWDGSA-N 1 3 398.591 3.708 20 0 GHADHO COc1ccc(C(=O)Nc2cccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000435373337 850421341 /nfs/dbraw/zinc/42/13/41/850421341.db2.gz DRPDAUIIYDCFFF-NYVOZVTQSA-N 1 3 379.504 3.507 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@H]3C)CC2)CC1 ZINC000569708659 850486542 /nfs/dbraw/zinc/48/65/42/850486542.db2.gz VNMLSESVQZQVPA-YOSAUDMPSA-N 1 3 397.607 3.976 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]C3CCC4(CCCO4)CC3)CC2)cc1 ZINC000515229399 850793279 /nfs/dbraw/zinc/79/32/79/850793279.db2.gz RIPRUPVAYOLTGD-UHFFFAOYSA-N 1 3 385.596 3.666 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000514104560 851241670 /nfs/dbraw/zinc/24/16/70/851241670.db2.gz KTMIQUAOLXFYIW-KIHHCIJBSA-N 1 3 386.580 3.853 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000436238505 851375056 /nfs/dbraw/zinc/37/50/56/851375056.db2.gz DIPMONACCJOGEX-ZEQRLZLVSA-N 1 3 391.559 3.938 20 0 GHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CC2)C1 ZINC000436310300 851469104 /nfs/dbraw/zinc/46/91/04/851469104.db2.gz QGIAFZCVOUMFAC-KRXUUXHPSA-N 1 3 375.601 3.800 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167960741 851553301 /nfs/dbraw/zinc/55/33/01/851553301.db2.gz BAPALMBLUQNLJW-NXEWRWPSSA-N 1 3 389.584 3.771 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167960741 851553313 /nfs/dbraw/zinc/55/33/13/851553313.db2.gz BAPALMBLUQNLJW-NXEWRWPSSA-N 1 3 389.584 3.771 20 0 GHADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)C[C@H](C)O1 ZINC000438119478 852026517 /nfs/dbraw/zinc/02/65/17/852026517.db2.gz SXTAQOKDCGLMPL-CALCHBBNSA-N 1 3 388.581 3.850 20 0 GHADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)C[C@H](C)O1 ZINC000438119478 852026523 /nfs/dbraw/zinc/02/65/23/852026523.db2.gz SXTAQOKDCGLMPL-CALCHBBNSA-N 1 3 388.581 3.850 20 0 GHADHO CC(C)(C)OC(=O)N1CC([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C2CC2)C1 ZINC001167981632 852043068 /nfs/dbraw/zinc/04/30/68/852043068.db2.gz CGXZXUKHTDHQMP-VTHDOGFWSA-N 1 3 389.584 3.627 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000517539921 852068968 /nfs/dbraw/zinc/06/89/68/852068968.db2.gz HVJHUGSFKITDLB-PZJWPPBQSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000517539921 852068975 /nfs/dbraw/zinc/06/89/75/852068975.db2.gz HVJHUGSFKITDLB-PZJWPPBQSA-N 1 3 386.584 3.776 20 0 GHADHO CN(C)[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000516109750 852177840 /nfs/dbraw/zinc/17/78/40/852177840.db2.gz SAMYFWVAZVAVFU-OAQYLSRUSA-N 1 3 375.557 3.787 20 0 GHADHO c1[nH]nc2c1cccc2CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550269150 852227406 /nfs/dbraw/zinc/22/74/06/852227406.db2.gz BLVBGRXYJUUOJG-JOCHJYFZSA-N 1 3 390.531 3.581 20 0 GHADHO c1[nH]nc2c1cccc2CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550269150 852227415 /nfs/dbraw/zinc/22/74/15/852227415.db2.gz BLVBGRXYJUUOJG-JOCHJYFZSA-N 1 3 390.531 3.581 20 0 GHADHO c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550269150 852227424 /nfs/dbraw/zinc/22/74/24/852227424.db2.gz BLVBGRXYJUUOJG-JOCHJYFZSA-N 1 3 390.531 3.581 20 0 GHADHO CC1(C)CCC[C@H]1N(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000426809769 852420636 /nfs/dbraw/zinc/42/06/36/852420636.db2.gz GBBLSNVEHDKWKS-JOCHJYFZSA-N 1 3 383.580 3.810 20 0 GHADHO C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001167984503 852538120 /nfs/dbraw/zinc/53/81/20/852538120.db2.gz PJOFSJAKVRUQCS-BJAXAZRTSA-N 1 3 391.600 3.875 20 0 GHADHO C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001167984503 852538123 /nfs/dbraw/zinc/53/81/23/852538123.db2.gz PJOFSJAKVRUQCS-BJAXAZRTSA-N 1 3 391.600 3.875 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167961484 852574640 /nfs/dbraw/zinc/57/46/40/852574640.db2.gz LYHCHJCAXHQFCF-RNINOARNSA-N 1 3 377.573 3.769 20 0 GHADHO C[C@H](NCc1ccc(N2CCCCC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151043821 852988690 /nfs/dbraw/zinc/98/86/90/852988690.db2.gz OIDUQHPQKDHMBM-IBGZPJMESA-N 1 3 395.547 3.995 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000517103404 853382165 /nfs/dbraw/zinc/38/21/65/853382165.db2.gz BTBFOLAYYFGPJG-RTBURBONSA-N 1 3 390.597 3.545 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000439191280 853393730 /nfs/dbraw/zinc/39/37/30/853393730.db2.gz MLCXHPHYQROPOD-KDURUIRLSA-N 1 3 394.629 3.579 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000439191280 853393734 /nfs/dbraw/zinc/39/37/34/853393734.db2.gz MLCXHPHYQROPOD-KDURUIRLSA-N 1 3 394.629 3.579 20 0 GHADHO C[C@@H]1CN(CCCOc2ccc3ccccc3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491000905 853397411 /nfs/dbraw/zinc/39/74/11/853397411.db2.gz XWPWMHSPWUCZCG-YKSBVNFPSA-N 1 3 381.564 3.567 20 0 GHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754599 853463436 /nfs/dbraw/zinc/46/34/36/853463436.db2.gz WRXNIFSDMAASRD-ZWKOTPCHSA-N 1 3 385.577 3.952 20 0 GHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754599 853463449 /nfs/dbraw/zinc/46/34/49/853463449.db2.gz WRXNIFSDMAASRD-ZWKOTPCHSA-N 1 3 385.577 3.952 20 0 GHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754599 853463455 /nfs/dbraw/zinc/46/34/55/853463455.db2.gz WRXNIFSDMAASRD-ZWKOTPCHSA-N 1 3 385.577 3.952 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000519757779 853468698 /nfs/dbraw/zinc/46/86/98/853468698.db2.gz BWIVAKYBVNMUPH-DBXWQHBBSA-N 1 3 382.976 3.736 20 0 GHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000519757779 853468703 /nfs/dbraw/zinc/46/87/03/853468703.db2.gz BWIVAKYBVNMUPH-DBXWQHBBSA-N 1 3 382.976 3.736 20 0 GHADHO OC1(c2ccc(Br)cc2)CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168377370 853599411 /nfs/dbraw/zinc/59/94/11/853599411.db2.gz DKRQVQVVFNQYSD-UHFFFAOYSA-N 1 3 393.369 3.607 20 0 GHADHO Cc1ccc(Br)cc1[C@@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000623896543 862494707 /nfs/dbraw/zinc/49/47/07/862494707.db2.gz UQOULDKHTABRFL-HZPDHXFCSA-N 1 3 381.358 3.909 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000507735289 853913054 /nfs/dbraw/zinc/91/30/54/853913054.db2.gz YTPKGOCMYCLYPM-UYAOXDASSA-N 1 3 395.538 3.771 20 0 GHADHO CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H]1c1ccccc1 ZINC000536263657 854166243 /nfs/dbraw/zinc/16/62/43/854166243.db2.gz LKZKTJKKSWRSMC-PMVMPFDFSA-N 1 3 395.522 3.599 20 0 GHADHO CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H]1c1ccccc1 ZINC000536263657 854166248 /nfs/dbraw/zinc/16/62/48/854166248.db2.gz LKZKTJKKSWRSMC-PMVMPFDFSA-N 1 3 395.522 3.599 20 0 GHADHO CC(C)Cn1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000050797663 854358723 /nfs/dbraw/zinc/35/87/23/854358723.db2.gz BDGPUWMIWZBJLW-UHFFFAOYSA-N 1 3 396.579 3.586 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C[C@@H]1C ZINC000458897203 854478237 /nfs/dbraw/zinc/47/82/37/854478237.db2.gz OZQLUEWUMLKLNC-QRFRQXIXSA-N 1 3 392.613 3.525 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C[C@@H]1C ZINC000458897203 854478240 /nfs/dbraw/zinc/47/82/40/854478240.db2.gz OZQLUEWUMLKLNC-QRFRQXIXSA-N 1 3 392.613 3.525 20 0 GHADHO COc1ccc([C@@H]2C[C@@H](N3CCC([NH3+])(Cc4ccccc4)CC3)CCO2)cc1 ZINC001168618443 855127186 /nfs/dbraw/zinc/12/71/86/855127186.db2.gz SIVOEKKZMQNCBZ-GMAHTHKFSA-N 1 3 380.532 3.951 20 0 GHADHO CNC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000482064676 862666312 /nfs/dbraw/zinc/66/63/12/862666312.db2.gz BSXMPRYHZLDWEY-BXXSPATCSA-N 1 3 377.532 3.649 20 0 GHADHO COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647986626 855418189 /nfs/dbraw/zinc/41/81/89/855418189.db2.gz URVFQBCYOGQLPK-QTEQDKRBSA-N 1 3 393.531 3.697 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)C[C@H](C)O1 ZINC000067452718 856266413 /nfs/dbraw/zinc/26/64/13/856266413.db2.gz WTKKHCWOAKAFQI-BGYRXZFFSA-N 1 3 383.536 3.640 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCCc4cc(OC)ccc43)CC2)CC1 ZINC000573577771 856298355 /nfs/dbraw/zinc/29/83/55/856298355.db2.gz VSSDNIBVSQYMGD-UHFFFAOYSA-N 1 3 399.579 3.561 20 0 GHADHO Nc1ccnc(CN2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000520752046 856341960 /nfs/dbraw/zinc/34/19/60/856341960.db2.gz TVGBDQAGMRROPO-NRFANRHFSA-N 1 3 379.552 3.546 20 0 GHADHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605135267 862799767 /nfs/dbraw/zinc/79/97/67/862799767.db2.gz PNYADBYRNYMVJY-LPHOPBHVSA-N 1 3 385.474 3.546 20 0 GHADHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605135267 862799772 /nfs/dbraw/zinc/79/97/72/862799772.db2.gz PNYADBYRNYMVJY-LPHOPBHVSA-N 1 3 385.474 3.546 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C3CCCCC3)CC2)CC1 ZINC000569116729 856930718 /nfs/dbraw/zinc/93/07/18/856930718.db2.gz HMKKHOQGFZTLTL-UHFFFAOYSA-N 1 3 377.617 3.905 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cn1ccc(-c2nccs2)n1 ZINC000766089786 856992214 /nfs/dbraw/zinc/99/22/14/856992214.db2.gz VLOHISRCZMFSAI-UHFFFAOYSA-N 1 3 382.537 3.598 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000486233003 857574454 /nfs/dbraw/zinc/57/44/54/857574454.db2.gz UWJLKMFAUYIVHN-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000486233003 857574467 /nfs/dbraw/zinc/57/44/67/857574467.db2.gz UWJLKMFAUYIVHN-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO c1ccc(N2CC[NH+](C[C@H]3CCCN(c4ccnc5ccccc54)C3)CC2)nc1 ZINC000521085316 857578087 /nfs/dbraw/zinc/57/80/87/857578087.db2.gz NWXCZGMPKODQBV-HXUWFJFHSA-N 1 3 387.531 3.668 20 0 GHADHO CN(C)CCN(C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000521182273 857719877 /nfs/dbraw/zinc/71/98/77/857719877.db2.gz PXQVWTHGDFSBNX-FQEVSTJZSA-N 1 3 383.511 3.633 20 0 GHADHO CN(C)CCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000521182273 857719886 /nfs/dbraw/zinc/71/98/86/857719886.db2.gz PXQVWTHGDFSBNX-FQEVSTJZSA-N 1 3 383.511 3.633 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCN1Cc1ccccc1 ZINC000466025126 857880097 /nfs/dbraw/zinc/88/00/97/857880097.db2.gz GFEKUJACAZTITJ-FPOVZHCZSA-N 1 3 388.600 3.659 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000486708507 858012850 /nfs/dbraw/zinc/01/28/50/858012850.db2.gz JZPCPSAMUFXBBF-ISKFKSNPSA-N 1 3 391.559 3.875 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000486708507 858012862 /nfs/dbraw/zinc/01/28/62/858012862.db2.gz JZPCPSAMUFXBBF-ISKFKSNPSA-N 1 3 391.559 3.875 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442709377 858067055 /nfs/dbraw/zinc/06/70/55/858067055.db2.gz ADRIMXPXTHYDBL-UYAOXDASSA-N 1 3 383.502 3.959 20 0 GHADHO CSC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000442868915 858186023 /nfs/dbraw/zinc/18/60/23/858186023.db2.gz ADLKRNVEXQHMKE-KRWDZBQOSA-N 1 3 389.531 3.725 20 0 GHADHO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442869108 858186037 /nfs/dbraw/zinc/18/60/37/858186037.db2.gz IBCCYKXGOOWVIZ-QHCPKHFHSA-N 1 3 399.554 3.734 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@@H](NCc1cccc(OCC[NH+](C)C)c1)CCC2 ZINC000594493782 858190275 /nfs/dbraw/zinc/19/02/75/858190275.db2.gz LGGMHIPEKPMMTF-QFIPXVFZSA-N 1 3 382.504 3.581 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000442880644 858202418 /nfs/dbraw/zinc/20/24/18/858202418.db2.gz ZFGGHLJBSDSHJX-OALUTQOASA-N 1 3 383.502 3.957 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000474060921 858740455 /nfs/dbraw/zinc/74/04/55/858740455.db2.gz SHFJCLFYKRIGSU-WXFUMESZSA-N 1 3 385.596 3.509 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000474064100 858749234 /nfs/dbraw/zinc/74/92/34/858749234.db2.gz XZPGCLIRXRKNNX-WXFUMESZSA-N 1 3 385.596 3.509 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1ccco1 ZINC000509616924 858812369 /nfs/dbraw/zinc/81/23/69/858812369.db2.gz YAOLFFJGUNHAPG-UYWIDEMCSA-N 1 3 398.551 3.671 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccco1 ZINC000509616924 858812372 /nfs/dbraw/zinc/81/23/72/858812372.db2.gz YAOLFFJGUNHAPG-UYWIDEMCSA-N 1 3 398.551 3.671 20 0 GHADHO COc1ccc(Oc2ccc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)cc2)cc1 ZINC000543240983 858985003 /nfs/dbraw/zinc/98/50/03/858985003.db2.gz YYNYTORQGIGTJF-RPWUZVMVSA-N 1 3 396.531 3.955 20 0 GHADHO C[C@@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)[C@H]1CCCN(C2CCC2)C1 ZINC000185738190 859123699 /nfs/dbraw/zinc/12/36/99/859123699.db2.gz WGXDEZLZLDBSLE-CTNGQTDRSA-N 1 3 396.583 3.753 20 0 GHADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000483155392 859186411 /nfs/dbraw/zinc/18/64/11/859186411.db2.gz LTOYGSGKVWJQQA-IFMALSPDSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000483155392 859186414 /nfs/dbraw/zinc/18/64/14/859186414.db2.gz LTOYGSGKVWJQQA-IFMALSPDSA-N 1 3 383.580 3.764 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)N(C)C)cc1 ZINC000582202475 859387679 /nfs/dbraw/zinc/38/76/79/859387679.db2.gz MBXKPIPJZHHLGX-JOCHJYFZSA-N 1 3 398.551 3.614 20 0 GHADHO F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@H]1CN(Cc3ccccc3)CC13CCC3)OCCO2 ZINC000895448231 859491130 /nfs/dbraw/zinc/49/11/30/859491130.db2.gz ABHUFJIPBPFRCV-HBMCJLEFSA-N 1 3 388.527 3.512 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000895479382 859565235 /nfs/dbraw/zinc/56/52/35/859565235.db2.gz PFXYLJWKYIIALB-XMTFNYHQSA-N 1 3 390.490 3.608 20 0 GHADHO Cc1ccncc1CCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856561966 881472026 /nfs/dbraw/zinc/47/20/26/881472026.db2.gz ZNMITTNZPYMLSE-HSZRJFAPSA-N 1 3 382.552 3.711 20 0 GHADHO Cc1ccncc1CCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856561966 881472032 /nfs/dbraw/zinc/47/20/32/881472032.db2.gz ZNMITTNZPYMLSE-HSZRJFAPSA-N 1 3 382.552 3.711 20 0 GHADHO Cc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c(N2CCOCC2)c1 ZINC000484306008 859946663 /nfs/dbraw/zinc/94/66/63/859946663.db2.gz WKZSXNJWATUXCS-FQEVSTJZSA-N 1 3 397.563 3.623 20 0 GHADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(C(=O)c3ccccc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034096 859995424 /nfs/dbraw/zinc/99/54/24/859995424.db2.gz OOUWWKMMNIFKLK-WNXIRNOKSA-N 1 3 391.559 3.932 20 0 GHADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(C(=O)c3ccccc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034096 859995429 /nfs/dbraw/zinc/99/54/29/859995429.db2.gz OOUWWKMMNIFKLK-WNXIRNOKSA-N 1 3 391.559 3.932 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccsc1 ZINC000156257496 860729647 /nfs/dbraw/zinc/72/96/47/860729647.db2.gz CZOYTBMGPAISGS-WOJBJXKFSA-N 1 3 392.613 3.791 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000667853323 860856287 /nfs/dbraw/zinc/85/62/87/860856287.db2.gz IATXTJCFIMNEKA-KRWDZBQOSA-N 1 3 378.520 3.986 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000667853323 860856299 /nfs/dbraw/zinc/85/62/99/860856299.db2.gz IATXTJCFIMNEKA-KRWDZBQOSA-N 1 3 378.520 3.986 20 0 GHADHO Cn1c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cc2sc1=O ZINC000192565496 860877404 /nfs/dbraw/zinc/87/74/04/860877404.db2.gz CGHSBQJDSMQYCC-IHWFROFDSA-N 1 3 393.556 3.885 20 0 GHADHO O[C@H](Cc1ccccc1C(F)(F)F)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000158584972 863086722 /nfs/dbraw/zinc/08/67/22/863086722.db2.gz CMHBTXRGZRXHQG-YVWKXTFCSA-N 1 3 382.470 3.558 20 0 GHADHO O[C@H](Cc1ccccc1C(F)(F)F)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000158584972 863086739 /nfs/dbraw/zinc/08/67/39/863086739.db2.gz CMHBTXRGZRXHQG-YVWKXTFCSA-N 1 3 382.470 3.558 20 0 GHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062252948 863153045 /nfs/dbraw/zinc/15/30/45/863153045.db2.gz DGIFIUSXHNZGEG-IRXDYDNUSA-N 1 3 388.531 3.607 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000182257916 863166593 /nfs/dbraw/zinc/16/65/93/863166593.db2.gz ZWHCXPZZTSYHKU-LADGPHEKSA-N 1 3 392.543 3.745 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000182257916 863166598 /nfs/dbraw/zinc/16/65/98/863166598.db2.gz ZWHCXPZZTSYHKU-LADGPHEKSA-N 1 3 392.543 3.745 20 0 GHADHO Cc1cc2c(cc1C)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182269050 863170036 /nfs/dbraw/zinc/17/00/36/863170036.db2.gz YAHADEGRSFLVOB-JTHBVZDNSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc2c(cc1C)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182269050 863170054 /nfs/dbraw/zinc/17/00/54/863170054.db2.gz YAHADEGRSFLVOB-JTHBVZDNSA-N 1 3 380.532 3.874 20 0 GHADHO CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000182682082 863328016 /nfs/dbraw/zinc/32/80/16/863328016.db2.gz GQVAWOZUOQEMPS-SFTDATJTSA-N 1 3 378.582 3.508 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000182905224 863399866 /nfs/dbraw/zinc/39/98/66/863399866.db2.gz XKCTXJKRUSZXBP-NFBKMPQASA-N 1 3 395.522 3.690 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000182905224 863399881 /nfs/dbraw/zinc/39/98/81/863399881.db2.gz XKCTXJKRUSZXBP-NFBKMPQASA-N 1 3 395.522 3.690 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000444102612 863423168 /nfs/dbraw/zinc/42/31/68/863423168.db2.gz FXKUGVFJZKAFGU-MOPGFXCFSA-N 1 3 392.632 3.697 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000607171637 864133739 /nfs/dbraw/zinc/13/37/39/864133739.db2.gz RLIQEHAZGMWMHN-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000607238777 864202171 /nfs/dbraw/zinc/20/21/71/864202171.db2.gz URTAUELAOFJBBC-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO CN1CCN(c2ccc(C[NH2+]Cc3ccc(-c4cccc(F)c4F)o3)cn2)CC1 ZINC000480371750 864577735 /nfs/dbraw/zinc/57/77/35/864577735.db2.gz NIPTVJXGCBFMSD-UHFFFAOYSA-N 1 3 398.457 3.661 20 0 GHADHO C[NH+]1CCN(c2ccc(CNCc3ccc(-c4cccc(F)c4F)o3)cn2)CC1 ZINC000480371750 864577745 /nfs/dbraw/zinc/57/77/45/864577745.db2.gz NIPTVJXGCBFMSD-UHFFFAOYSA-N 1 3 398.457 3.661 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc4c(c3)COC4)cc2)CC1 ZINC000480721326 865142386 /nfs/dbraw/zinc/14/23/86/865142386.db2.gz MFTSJDGHCBRJIJ-LJQANCHMSA-N 1 3 379.548 3.705 20 0 GHADHO C/C(=C\c1ccccc1C(F)(F)F)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000501492811 865294404 /nfs/dbraw/zinc/29/44/04/865294404.db2.gz XFFOUHPENMQYAM-JQIJEIRASA-N 1 3 397.485 3.641 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000552801714 866288310 /nfs/dbraw/zinc/28/83/10/866288310.db2.gz OVTUDISVKSYYCR-UHFFFAOYSA-N 1 3 398.378 3.806 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000552853291 866351444 /nfs/dbraw/zinc/35/14/44/866351444.db2.gz VZKJYNDVQYENIC-UHFFFAOYSA-N 1 3 393.575 3.995 20 0 GHADHO CC[C@H](C(=O)Nc1cc(NC(=O)[C@@H](CC)[NH+](C)C)cc(C(C)(C)C)c1)N(C)C ZINC000456306384 866354563 /nfs/dbraw/zinc/35/45/63/866354563.db2.gz MUFBLCMWNLZQAM-RTBURBONSA-N 1 3 390.572 3.542 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1ccc3c(c1)CCO3)c1ccccc1O2 ZINC000553149667 866884513 /nfs/dbraw/zinc/88/45/13/866884513.db2.gz HBHHECPLOADSQK-NRFANRHFSA-N 1 3 378.516 3.742 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000153685631 867025499 /nfs/dbraw/zinc/02/54/99/867025499.db2.gz BLUHJDVROCDZOP-REWPJTCUSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C[C@@H](C)O1 ZINC000479054460 867066458 /nfs/dbraw/zinc/06/64/58/867066458.db2.gz GHMWCKWVBLKNMQ-KNKQGSTJSA-N 1 3 382.552 3.729 20 0 GHADHO CCN(Cc1ccccc1Cl)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553270082 867074232 /nfs/dbraw/zinc/07/42/32/867074232.db2.gz ZMPMUAABJVZJTQ-UHFFFAOYSA-N 1 3 391.987 3.885 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000534609879 867134356 /nfs/dbraw/zinc/13/43/56/867134356.db2.gz OZEOGNVAAIKCNW-HGSOSGBHSA-N 1 3 392.547 3.567 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000534609879 867134365 /nfs/dbraw/zinc/13/43/65/867134365.db2.gz OZEOGNVAAIKCNW-HGSOSGBHSA-N 1 3 392.547 3.567 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000620763627 867320259 /nfs/dbraw/zinc/32/02/59/867320259.db2.gz BBTUAHSJHSUETK-NRFANRHFSA-N 1 3 380.536 3.782 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000620763627 867320274 /nfs/dbraw/zinc/32/02/74/867320274.db2.gz BBTUAHSJHSUETK-NRFANRHFSA-N 1 3 380.536 3.782 20 0 GHADHO CC(=O)NCCc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444950 867814343 /nfs/dbraw/zinc/81/43/43/867814343.db2.gz KNFHDBFVWQWWJQ-XXBNENTESA-N 1 3 379.548 3.538 20 0 GHADHO CC(=O)NCCc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444950 867814355 /nfs/dbraw/zinc/81/43/55/867814355.db2.gz KNFHDBFVWQWWJQ-XXBNENTESA-N 1 3 379.548 3.538 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)c1ccco1 ZINC000857256466 882148331 /nfs/dbraw/zinc/14/83/31/882148331.db2.gz JBJFBAHOUAMUAG-DZFGPLHGSA-N 1 3 383.536 3.948 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857256466 882148339 /nfs/dbraw/zinc/14/83/39/882148339.db2.gz JBJFBAHOUAMUAG-DZFGPLHGSA-N 1 3 383.536 3.948 20 0 GHADHO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272271679 868476404 /nfs/dbraw/zinc/47/64/04/868476404.db2.gz BMRMYXVNRGIUDF-WAOWUJCRSA-N 1 3 386.561 3.651 20 0 GHADHO Cc1cc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc(C)c1F ZINC000156972817 868518005 /nfs/dbraw/zinc/51/80/05/868518005.db2.gz GULJRDAIORZCSU-NQIIRXRSSA-N 1 3 397.538 3.991 20 0 GHADHO Cc1cc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc(C)c1F ZINC000156972817 868518013 /nfs/dbraw/zinc/51/80/13/868518013.db2.gz GULJRDAIORZCSU-NQIIRXRSSA-N 1 3 397.538 3.991 20 0 GHADHO COc1cc(OC)c(CCNC2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000157072511 868546188 /nfs/dbraw/zinc/54/61/88/868546188.db2.gz FBHCNRGHPUXZPR-UHFFFAOYSA-N 1 3 376.541 3.642 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)N2CCCC2)cc1 ZINC000524136758 868581486 /nfs/dbraw/zinc/58/14/86/868581486.db2.gz ONJYWSIBZCDGSQ-HSZRJFAPSA-N 1 3 398.595 3.792 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)N2CCCC2)cc1 ZINC000524136758 868581490 /nfs/dbraw/zinc/58/14/90/868581490.db2.gz ONJYWSIBZCDGSQ-HSZRJFAPSA-N 1 3 398.595 3.792 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN(CCc2ccc(Cl)cc2)CC2CC2)CC1 ZINC000524207175 868704350 /nfs/dbraw/zinc/70/43/50/868704350.db2.gz WYRXCYZWOWRGNN-UHFFFAOYSA-N 1 3 391.987 3.584 20 0 GHADHO CN(CCCN(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)Cc1ccco1 ZINC000554136051 868803407 /nfs/dbraw/zinc/80/34/07/868803407.db2.gz CLSJTBMDHKKRPA-HXUWFJFHSA-N 1 3 390.572 3.540 20 0 GHADHO CN(CCCN(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)Cc1ccco1 ZINC000554136051 868803425 /nfs/dbraw/zinc/80/34/25/868803425.db2.gz CLSJTBMDHKKRPA-HXUWFJFHSA-N 1 3 390.572 3.540 20 0 GHADHO [NH3+]CCc1ccc(CNCc2ccc(OC(F)F)c(Br)c2)cc1 ZINC000841032137 869417060 /nfs/dbraw/zinc/41/70/60/869417060.db2.gz MMPBPUREHQWYHB-UHFFFAOYSA-N 1 3 385.252 3.842 20 0 GHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@@H]21 ZINC000539900487 869990116 /nfs/dbraw/zinc/99/01/16/869990116.db2.gz VLSJMWIQDJIOSX-AEFFLSMTSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@@H]21 ZINC000539900487 869990127 /nfs/dbraw/zinc/99/01/27/869990127.db2.gz VLSJMWIQDJIOSX-AEFFLSMTSA-N 1 3 378.442 3.807 20 0 GHADHO CC(C)C[C@@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000746303099 870167295 /nfs/dbraw/zinc/16/72/95/870167295.db2.gz QGHMHYZZAPHTSG-HSZRJFAPSA-N 1 3 379.548 3.939 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000248177366 870310621 /nfs/dbraw/zinc/31/06/21/870310621.db2.gz VWCIURBQYSHPCK-FYYLOGMGSA-N 1 3 395.547 3.633 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000248177366 870310631 /nfs/dbraw/zinc/31/06/31/870310631.db2.gz VWCIURBQYSHPCK-FYYLOGMGSA-N 1 3 395.547 3.633 20 0 GHADHO FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248392870 870361762 /nfs/dbraw/zinc/36/17/62/870361762.db2.gz DKXMGSYVPHYRFY-PLACYPQZSA-N 1 3 395.513 3.761 20 0 GHADHO COc1ccc([C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C(C)C)cc1 ZINC000540260680 870864486 /nfs/dbraw/zinc/86/44/86/870864486.db2.gz MTCOHBCZBOZASR-DEOSSOPVSA-N 1 3 381.564 3.930 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000463137390 870984535 /nfs/dbraw/zinc/98/45/35/870984535.db2.gz QPOLIDRTTWBIDG-BWKNWUBXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(CN3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137390 870984552 /nfs/dbraw/zinc/98/45/52/870984552.db2.gz QPOLIDRTTWBIDG-BWKNWUBXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(CN3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137390 870984562 /nfs/dbraw/zinc/98/45/62/870984562.db2.gz QPOLIDRTTWBIDG-BWKNWUBXSA-N 1 3 393.575 3.662 20 0 GHADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)N(C)C)c1 ZINC000463138012 870989817 /nfs/dbraw/zinc/98/98/17/870989817.db2.gz NWGOVPPYPACDSG-APTRMMRNSA-N 1 3 381.564 3.941 20 0 GHADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)c1 ZINC000463138012 870989835 /nfs/dbraw/zinc/98/98/35/870989835.db2.gz NWGOVPPYPACDSG-APTRMMRNSA-N 1 3 381.564 3.941 20 0 GHADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)c1 ZINC000463138012 870989848 /nfs/dbraw/zinc/98/98/48/870989848.db2.gz NWGOVPPYPACDSG-APTRMMRNSA-N 1 3 381.564 3.941 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000463137631 870991071 /nfs/dbraw/zinc/99/10/71/870991071.db2.gz LMWQLVJUXVMPKB-RRPUWOKSSA-N 1 3 381.564 3.941 20 0 GHADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000463137631 870991077 /nfs/dbraw/zinc/99/10/77/870991077.db2.gz LMWQLVJUXVMPKB-RRPUWOKSSA-N 1 3 381.564 3.941 20 0 GHADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000463137631 870991085 /nfs/dbraw/zinc/99/10/85/870991085.db2.gz LMWQLVJUXVMPKB-RRPUWOKSSA-N 1 3 381.564 3.941 20 0 GHADHO C[C@H]1C[C@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)CCN1Cc1ccccc1 ZINC000463206902 871137537 /nfs/dbraw/zinc/13/75/37/871137537.db2.gz QRTHEVQTYFGMNT-GBXCKJPGSA-N 1 3 377.576 3.728 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc4c(F)cccc4c3)CC2)CC1 ZINC000618033050 871155728 /nfs/dbraw/zinc/15/57/28/871155728.db2.gz ABYMKSGBAIOKRA-UHFFFAOYSA-N 1 3 384.499 3.509 20 0 GHADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000539073361 871262405 /nfs/dbraw/zinc/26/24/05/871262405.db2.gz QUVLWFMCSMQYKI-RCCFBDPRSA-N 1 3 395.975 3.845 20 0 GHADHO NCc1ccc2c(n1)N(c1ccc3[nH]cc(CC[NH+]4CCCC4)c3c1)CCC2 ZINC001169592384 871654550 /nfs/dbraw/zinc/65/45/50/871654550.db2.gz PZTPUPMUFVBNKN-UHFFFAOYSA-N 1 3 375.520 3.744 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOC(=O)Cc1ccccc1 ZINC001169666008 871735266 /nfs/dbraw/zinc/73/52/66/871735266.db2.gz HPNJMMJQNJFLQV-QFIPXVFZSA-N 1 3 380.532 3.663 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOC(=O)Cc1ccccc1 ZINC001169666008 871735278 /nfs/dbraw/zinc/73/52/78/871735278.db2.gz HPNJMMJQNJFLQV-QFIPXVFZSA-N 1 3 380.532 3.663 20 0 GHADHO C[N@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@H](CC(N)=O)c1ccccc1 ZINC001169942061 872031053 /nfs/dbraw/zinc/03/10/53/872031053.db2.gz LALHKAFXCNKPDG-XMMPIXPASA-N 1 3 393.575 3.880 20 0 GHADHO C[N@@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@H](CC(N)=O)c1ccccc1 ZINC001169942061 872031075 /nfs/dbraw/zinc/03/10/75/872031075.db2.gz LALHKAFXCNKPDG-XMMPIXPASA-N 1 3 393.575 3.880 20 0 GHADHO C[N@H+](CCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000527485807 873154395 /nfs/dbraw/zinc/15/43/95/873154395.db2.gz KUCSKLLIAVBQAA-UHFFFAOYSA-N 1 3 389.506 3.563 20 0 GHADHO C[N@@H+](CCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000527485807 873154400 /nfs/dbraw/zinc/15/44/00/873154400.db2.gz KUCSKLLIAVBQAA-UHFFFAOYSA-N 1 3 389.506 3.563 20 0 GHADHO C[C@H](CCc1cccc(F)c1)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000541228364 873160393 /nfs/dbraw/zinc/16/03/93/873160393.db2.gz IUKZRQKSNJJZQV-OAQYLSRUSA-N 1 3 383.555 3.896 20 0 GHADHO C[C@H](CCc1cccc(F)c1)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000541228364 873160398 /nfs/dbraw/zinc/16/03/98/873160398.db2.gz IUKZRQKSNJJZQV-OAQYLSRUSA-N 1 3 383.555 3.896 20 0 GHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000541350928 873412851 /nfs/dbraw/zinc/41/28/51/873412851.db2.gz PEYRVDNCQRUBSW-FQEVSTJZSA-N 1 3 391.987 3.743 20 0 GHADHO Cc1cc2ncn(C[C@H](O)CN3CCC[C@@H]3CC[NH+]3CCC(C)CC3)c2cc1C ZINC001196935945 873486768 /nfs/dbraw/zinc/48/67/68/873486768.db2.gz MXKGAVBUBRLVBU-FGZHOGPDSA-N 1 3 398.595 3.600 20 0 GHADHO Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@@H]3CCN3CCC(C)CC3)c2cc1C ZINC001196935945 873486775 /nfs/dbraw/zinc/48/67/75/873486775.db2.gz MXKGAVBUBRLVBU-FGZHOGPDSA-N 1 3 398.595 3.600 20 0 GHADHO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@@H]3CCN3CCC(C)CC3)c2cc1C ZINC001196935945 873486779 /nfs/dbraw/zinc/48/67/79/873486779.db2.gz MXKGAVBUBRLVBU-FGZHOGPDSA-N 1 3 398.595 3.600 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464563558 874083138 /nfs/dbraw/zinc/08/31/38/874083138.db2.gz MCGYZBOPGXOZGP-REWPJTCUSA-N 1 3 385.596 3.520 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464563558 874083154 /nfs/dbraw/zinc/08/31/54/874083154.db2.gz MCGYZBOPGXOZGP-REWPJTCUSA-N 1 3 385.596 3.520 20 0 GHADHO CCN1CCC(CC[NH2+][C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000541732604 874170815 /nfs/dbraw/zinc/17/08/15/874170815.db2.gz DWYSSGXQDDDFLG-VXKWHMMOSA-N 1 3 392.609 3.792 20 0 GHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCNC(=O)c2cccc(O)c2)CC1 ZINC000449111052 874469435 /nfs/dbraw/zinc/46/94/35/874469435.db2.gz IOCBPSHDMHLDEY-UHFFFAOYSA-N 1 3 389.584 3.781 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3F)s2)C[C@H](C)O1 ZINC000449100612 874473076 /nfs/dbraw/zinc/47/30/76/874473076.db2.gz CIUSIERKQBGLNT-HOTGVXAUSA-N 1 3 377.529 3.928 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449184567 874576526 /nfs/dbraw/zinc/57/65/26/874576526.db2.gz FCVHYNXEHYCZLF-ROUUACIJSA-N 1 3 393.503 3.556 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000770327200 874601594 /nfs/dbraw/zinc/60/15/94/874601594.db2.gz RFUVINDFGNNTBT-GMAHTHKFSA-N 1 3 397.563 3.900 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000770327200 874601601 /nfs/dbraw/zinc/60/16/01/874601601.db2.gz RFUVINDFGNNTBT-GMAHTHKFSA-N 1 3 397.563 3.900 20 0 GHADHO CC[N@H+](CCCC(=O)Nc1cnccc1N(C)C)[C@H](C)Cc1ccc(O)cc1 ZINC001183047415 912216838 /nfs/dbraw/zinc/21/68/38/912216838.db2.gz FALANHWQOUEDGU-QGZVFWFLSA-N 1 3 384.524 3.525 20 0 GHADHO CC[N@@H+](CCCC(=O)Nc1cnccc1N(C)C)[C@H](C)Cc1ccc(O)cc1 ZINC001183047415 912216852 /nfs/dbraw/zinc/21/68/52/912216852.db2.gz FALANHWQOUEDGU-QGZVFWFLSA-N 1 3 384.524 3.525 20 0 GHADHO CC(C)(C)N1CCC([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC1 ZINC000449753687 875351655 /nfs/dbraw/zinc/35/16/55/875351655.db2.gz HDYYGMVTYYBENZ-RBUKOAKNSA-N 1 3 383.502 3.869 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000785504820 876078354 /nfs/dbraw/zinc/07/83/54/876078354.db2.gz XWFKAZGOJZBBPA-WBVHZDCISA-N 1 3 391.357 3.573 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2cc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000785504820 876078361 /nfs/dbraw/zinc/07/83/61/876078361.db2.gz XWFKAZGOJZBBPA-WBVHZDCISA-N 1 3 391.357 3.573 20 0 GHADHO CC(C)Oc1ccc2nccc(N3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)c2c1 ZINC000450409557 876371454 /nfs/dbraw/zinc/37/14/54/876371454.db2.gz XQTQZKJZBJQCDX-YOFSQIOKSA-N 1 3 394.563 3.769 20 0 GHADHO CC(C)Oc1ccc2nccc(N3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)c2c1 ZINC000450409557 876371468 /nfs/dbraw/zinc/37/14/68/876371468.db2.gz XQTQZKJZBJQCDX-YOFSQIOKSA-N 1 3 394.563 3.769 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]C3CCN(CC4CC4)CC3)cccc2C1 ZINC000850036910 876620490 /nfs/dbraw/zinc/62/04/90/876620490.db2.gz VDAACMSVULMFAS-UHFFFAOYSA-N 1 3 399.579 3.944 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](O)c2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000850421280 876903388 /nfs/dbraw/zinc/90/33/88/876903388.db2.gz SOUKQJOMQOHCJD-LIVBEALHSA-N 1 3 378.438 3.780 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](O)c2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000850421280 876903395 /nfs/dbraw/zinc/90/33/95/876903395.db2.gz SOUKQJOMQOHCJD-LIVBEALHSA-N 1 3 378.438 3.780 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792025 876943067 /nfs/dbraw/zinc/94/30/67/876943067.db2.gz GJGNLKMOEXBFIW-SFHVURJKSA-N 1 3 380.536 3.907 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792025 876943070 /nfs/dbraw/zinc/94/30/70/876943070.db2.gz GJGNLKMOEXBFIW-SFHVURJKSA-N 1 3 380.536 3.907 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Br)nc1 ZINC000850514577 876984893 /nfs/dbraw/zinc/98/48/93/876984893.db2.gz NRAOFLAIQSBMPB-HNNXBMFYSA-N 1 3 389.341 3.802 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc4c(cc3Cl)CCC4)CC2)CC1 ZINC000530021038 877014883 /nfs/dbraw/zinc/01/48/83/877014883.db2.gz JFRAZWYBODSXSH-UHFFFAOYSA-N 1 3 389.971 3.964 20 0 GHADHO C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850580463 877052706 /nfs/dbraw/zinc/05/27/06/877052706.db2.gz NENAKVHIGJAPMW-NBQZKYEYSA-N 1 3 378.438 3.638 20 0 GHADHO CCC(CC)(CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000174891980 877313351 /nfs/dbraw/zinc/31/33/51/877313351.db2.gz LQJWFDKRRCCFSX-TZIWHRDSSA-N 1 3 384.568 3.552 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000642638111 912239345 /nfs/dbraw/zinc/23/93/45/912239345.db2.gz GIDIZPDMSBVTMT-PKTZIBPZSA-N 1 3 394.563 3.643 20 0 GHADHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066415 912258859 /nfs/dbraw/zinc/25/88/59/912258859.db2.gz ZCDUDIFICZOVBA-OALUTQOASA-N 1 3 397.604 3.503 20 0 GHADHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066415 912258872 /nfs/dbraw/zinc/25/88/72/912258872.db2.gz ZCDUDIFICZOVBA-OALUTQOASA-N 1 3 397.604 3.503 20 0 GHADHO CC(C)[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000788245604 877946937 /nfs/dbraw/zinc/94/69/37/877946937.db2.gz QPCHPJYXNNSQAX-RXVVDRJESA-N 1 3 389.584 3.973 20 0 GHADHO O[C@@H](COc1ccccc1Cl)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713064 912294348 /nfs/dbraw/zinc/29/43/48/912294348.db2.gz DKOODNGJDLIBMQ-LJQANCHMSA-N 1 3 380.960 3.668 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176128762 878094815 /nfs/dbraw/zinc/09/48/15/878094815.db2.gz RBDYMWPNNBYZQQ-QHCPKHFHSA-N 1 3 398.595 3.920 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H]3CCC[C@]4(CCOC4)O3)C2)s1 ZINC001170085348 878100388 /nfs/dbraw/zinc/10/03/88/878100388.db2.gz HOAFAWIWNXOQCH-SFHLNBCPSA-N 1 3 378.582 3.538 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H]3CCC[C@]4(CCOC4)O3)C2)s1 ZINC001170085348 878100397 /nfs/dbraw/zinc/10/03/97/878100397.db2.gz HOAFAWIWNXOQCH-SFHLNBCPSA-N 1 3 378.582 3.538 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000667041658 878546218 /nfs/dbraw/zinc/54/62/18/878546218.db2.gz APRLJJFIMXSAFO-NBCNXNJRSA-N 1 3 376.541 3.591 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000537969776 878641351 /nfs/dbraw/zinc/64/13/51/878641351.db2.gz QIKQVCRWRHLXDK-OKZBNKHCSA-N 1 3 395.975 3.845 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000530901467 878712919 /nfs/dbraw/zinc/71/29/19/878712919.db2.gz BZFVDFIBQRZXLG-PBHICJAKSA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000530901467 878712936 /nfs/dbraw/zinc/71/29/36/878712936.db2.gz BZFVDFIBQRZXLG-PBHICJAKSA-N 1 3 382.346 3.582 20 0 GHADHO Cc1cc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c(C)s1 ZINC000530928180 878794975 /nfs/dbraw/zinc/79/49/75/878794975.db2.gz KLQVMUZBLAMFIE-UHFFFAOYSA-N 1 3 399.604 3.825 20 0 GHADHO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000139005958 879155633 /nfs/dbraw/zinc/15/56/33/879155633.db2.gz PPGAMCCHVHJEAO-SFHVURJKSA-N 1 3 387.568 3.577 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000178693674 879187246 /nfs/dbraw/zinc/18/72/46/879187246.db2.gz SBFQDWUVJCFRGO-CABCVRRESA-N 1 3 386.353 3.512 20 0 GHADHO CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)c2)CC1 ZINC000493957799 879773973 /nfs/dbraw/zinc/77/39/73/879773973.db2.gz JGWPSAISNLAHFL-UNMCSNQZSA-N 1 3 384.568 3.519 20 0 GHADHO O[C@H](COc1cccc2ccccc21)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246823263 879816943 /nfs/dbraw/zinc/81/69/43/879816943.db2.gz NUZSFZAKEHMJLG-RRPUWOKSSA-N 1 3 380.532 3.528 20 0 GHADHO O[C@H](COc1cccc2ccccc21)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246823263 879816953 /nfs/dbraw/zinc/81/69/53/879816953.db2.gz NUZSFZAKEHMJLG-RRPUWOKSSA-N 1 3 380.532 3.528 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000531738027 880368743 /nfs/dbraw/zinc/36/87/43/880368743.db2.gz CSLULPKYGZXTRC-VNQPRFMTSA-N 1 3 387.446 3.765 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000531738027 880368756 /nfs/dbraw/zinc/36/87/56/880368756.db2.gz CSLULPKYGZXTRC-VNQPRFMTSA-N 1 3 387.446 3.765 20 0 GHADHO c1cnn(-c2ncccc2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453083209 880439258 /nfs/dbraw/zinc/43/92/58/880439258.db2.gz MYXUYDPNUUGZPH-XPWALMASSA-N 1 3 387.531 3.800 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CC[N@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)c2)n1 ZINC000453114249 880485130 /nfs/dbraw/zinc/48/51/30/880485130.db2.gz SWJGAQALVQYYCF-HJOGWXRNSA-N 1 3 387.531 3.800 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)c2)n1 ZINC000453114249 880485141 /nfs/dbraw/zinc/48/51/41/880485141.db2.gz SWJGAQALVQYYCF-HJOGWXRNSA-N 1 3 387.531 3.800 20 0 GHADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185505614 880603085 /nfs/dbraw/zinc/60/30/85/880603085.db2.gz JPTGHMKGMSETQR-YXWAVELNSA-N 1 3 375.523 3.846 20 0 GHADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000186103086 880787956 /nfs/dbraw/zinc/78/79/56/880787956.db2.gz LYYHHNJXDICKHH-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO CCSc1cccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000186195560 880816292 /nfs/dbraw/zinc/81/62/92/880816292.db2.gz OKLBWGROXHQDLF-UHFFFAOYSA-N 1 3 391.625 3.715 20 0 GHADHO Fc1ccc(COc2cccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)c2)cc1 ZINC000119893541 881204185 /nfs/dbraw/zinc/20/41/85/881204185.db2.gz NFAMVLQJFXCMFV-NRFANRHFSA-N 1 3 398.522 3.995 20 0 GHADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001168158002 883410629 /nfs/dbraw/zinc/41/06/29/883410629.db2.gz BNBBWWQGBPFEAR-SYYKKAFVSA-N 1 3 389.559 3.617 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455514 912711504 /nfs/dbraw/zinc/71/15/04/912711504.db2.gz NZHFUKOYQZDVSH-WMLDXEAASA-N 1 3 378.442 3.797 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000476991012 883527199 /nfs/dbraw/zinc/52/71/99/883527199.db2.gz YCWKJSZKIXTCNS-AZUAARDMSA-N 1 3 378.532 3.542 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000476991012 883527213 /nfs/dbraw/zinc/52/72/13/883527213.db2.gz YCWKJSZKIXTCNS-AZUAARDMSA-N 1 3 378.532 3.542 20 0 GHADHO CC[C@@H]1CC([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170483725 883880241 /nfs/dbraw/zinc/88/02/41/883880241.db2.gz IOTPNKLHYQMVOF-FCGDIQPGSA-N 1 3 379.589 3.827 20 0 GHADHO CC[C@@H]1CC([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170483725 883880254 /nfs/dbraw/zinc/88/02/54/883880254.db2.gz IOTPNKLHYQMVOF-FCGDIQPGSA-N 1 3 379.589 3.827 20 0 GHADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230021 884164890 /nfs/dbraw/zinc/16/48/90/884164890.db2.gz KXDGBZJLMLZLHW-YTFSRNRJSA-N 1 3 386.580 3.710 20 0 GHADHO CCC(=O)N1CC[C@@H](N[C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000556264885 884284390 /nfs/dbraw/zinc/28/43/90/884284390.db2.gz WWTZMIMHDZPRJA-FGZHOGPDSA-N 1 3 389.559 3.979 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000228005733 884366589 /nfs/dbraw/zinc/36/65/89/884366589.db2.gz JAISLOCNENVASQ-AGILITTLSA-N 1 3 391.559 3.850 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000228005733 884366609 /nfs/dbraw/zinc/36/66/09/884366609.db2.gz JAISLOCNENVASQ-AGILITTLSA-N 1 3 391.559 3.850 20 0 GHADHO CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(F)cc1 ZINC000455868726 884600847 /nfs/dbraw/zinc/60/08/47/884600847.db2.gz WAMKIAWCSKRYBM-NHCUHLMSSA-N 1 3 384.499 3.799 20 0 GHADHO Cc1c(F)ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1F ZINC001211916211 885253733 /nfs/dbraw/zinc/25/37/33/885253733.db2.gz PEWOCLXPAOPGNG-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1c(F)ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1F ZINC001211916211 885253749 /nfs/dbraw/zinc/25/37/49/885253749.db2.gz PEWOCLXPAOPGNG-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO COc1c(C)nc(Cl)cc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170525582 885504940 /nfs/dbraw/zinc/50/49/40/885504940.db2.gz UKBAFLIWBGJNLJ-UHFFFAOYSA-N 1 3 398.938 3.962 20 0 GHADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC001275283020 912947324 /nfs/dbraw/zinc/94/73/24/912947324.db2.gz XYNDBSBUFAUBTF-FQEVSTJZSA-N 1 3 398.378 3.760 20 0 GHADHO COc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(OC)c1F ZINC001170528723 885575435 /nfs/dbraw/zinc/57/54/35/885575435.db2.gz QDLVXKBBGZRBLN-UHFFFAOYSA-N 1 3 397.494 3.752 20 0 GHADHO CN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000072733220 886358642 /nfs/dbraw/zinc/35/86/42/886358642.db2.gz OTVVOFXGMXIFQN-QFIPXVFZSA-N 1 3 380.536 3.877 20 0 GHADHO C[C@H]1CN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000644160925 913079033 /nfs/dbraw/zinc/07/90/33/913079033.db2.gz KSZFGCMSJBKVKI-OFNKIYASSA-N 1 3 398.595 3.729 20 0 GHADHO C[C@H]1CN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000644160925 913079045 /nfs/dbraw/zinc/07/90/45/913079045.db2.gz KSZFGCMSJBKVKI-OFNKIYASSA-N 1 3 398.595 3.729 20 0 GHADHO CC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000359893566 887612226 /nfs/dbraw/zinc/61/22/26/887612226.db2.gz DUIRGLOARRIGBX-ZEYPLWLESA-N 1 3 377.532 3.985 20 0 GHADHO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777832 887782628 /nfs/dbraw/zinc/78/26/28/887782628.db2.gz MWYYOVAOFUHQJT-MRXNPFEDSA-N 1 3 392.975 3.601 20 0 GHADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000051758970 887782671 /nfs/dbraw/zinc/78/26/71/887782671.db2.gz LXJLBWAUYSVQHP-HXUWFJFHSA-N 1 3 392.975 3.649 20 0 GHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810460642 888509264 /nfs/dbraw/zinc/50/92/64/888509264.db2.gz WMEZOCWQLVAJBU-OFNKIYASSA-N 1 3 389.559 3.570 20 0 GHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810460642 888509274 /nfs/dbraw/zinc/50/92/74/888509274.db2.gz WMEZOCWQLVAJBU-OFNKIYASSA-N 1 3 389.559 3.570 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)c1 ZINC000866046705 888708269 /nfs/dbraw/zinc/70/82/69/888708269.db2.gz QZUKKRKPUQMLCU-UHFFFAOYSA-N 1 3 380.536 3.533 20 0 GHADHO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245663236 889185629 /nfs/dbraw/zinc/18/56/29/889185629.db2.gz GFEJMHZZFPTXJY-GJPOJAMWSA-N 1 3 396.531 3.522 20 0 GHADHO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(CN4C[C@@H](C)O[C@@H](C)C4)CC3)cc2)n1 ZINC000532956293 889419662 /nfs/dbraw/zinc/41/96/62/889419662.db2.gz MQNIUWZAIYATFQ-OYRHEFFESA-N 1 3 396.579 3.810 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000532988659 889472283 /nfs/dbraw/zinc/47/22/83/889472283.db2.gz SIZZFOLRAQBDGT-RHSMWYFYSA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000532988659 889472288 /nfs/dbraw/zinc/47/22/88/889472288.db2.gz SIZZFOLRAQBDGT-RHSMWYFYSA-N 1 3 382.346 3.582 20 0 GHADHO C[N@H+](CCCn1c2ccccc2[nH]c1=O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000532989316 889473874 /nfs/dbraw/zinc/47/38/74/889473874.db2.gz KVJKLWJZZBNUGF-HXUWFJFHSA-N 1 3 378.520 3.586 20 0 GHADHO C[N@@H+](CCCn1c2ccccc2[nH]c1=O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000532989316 889473879 /nfs/dbraw/zinc/47/38/79/889473879.db2.gz KVJKLWJZZBNUGF-HXUWFJFHSA-N 1 3 378.520 3.586 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000125911486 890248566 /nfs/dbraw/zinc/24/85/66/890248566.db2.gz RHELVEMVHYNTFU-ZWKOTPCHSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000125911486 890248582 /nfs/dbraw/zinc/24/85/82/890248582.db2.gz RHELVEMVHYNTFU-ZWKOTPCHSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000125911486 890248596 /nfs/dbraw/zinc/24/85/96/890248596.db2.gz RHELVEMVHYNTFU-ZWKOTPCHSA-N 1 3 379.976 3.787 20 0 GHADHO c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCCC2 ZINC000126711017 890660012 /nfs/dbraw/zinc/66/00/12/890660012.db2.gz VEBKRJFYOLNPHA-WZONZLPQSA-N 1 3 384.564 3.870 20 0 GHADHO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000067452881 891314241 /nfs/dbraw/zinc/31/42/41/891314241.db2.gz VXEKRIJBDYWERX-OALUTQOASA-N 1 3 384.568 3.527 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(SC(F)F)cc1 ZINC000873247667 891548270 /nfs/dbraw/zinc/54/82/70/891548270.db2.gz RPSNKDRSJALKAR-ZDUSSCGKSA-N 1 3 389.475 3.892 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497566238 891904010 /nfs/dbraw/zinc/90/40/10/891904010.db2.gz OAKSSEWJUBXANZ-QHCPKHFHSA-N 1 3 398.595 3.605 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645154450 913713464 /nfs/dbraw/zinc/71/34/64/913713464.db2.gz VWQKGWLHYJLVGX-SIKLNZKXSA-N 1 3 386.584 3.544 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645154450 913713472 /nfs/dbraw/zinc/71/34/72/913713472.db2.gz VWQKGWLHYJLVGX-SIKLNZKXSA-N 1 3 386.584 3.544 20 0 GHADHO ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000877551554 893683121 /nfs/dbraw/zinc/68/31/21/893683121.db2.gz FUSDWSDFWJMRBK-QZTJIDSGSA-N 1 3 383.363 3.699 20 0 GHADHO ClC1(Cl)C[C@@H]1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551554 893683129 /nfs/dbraw/zinc/68/31/29/893683129.db2.gz FUSDWSDFWJMRBK-QZTJIDSGSA-N 1 3 383.363 3.699 20 0 GHADHO ClC1(Cl)C[C@@H]1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551554 893683137 /nfs/dbraw/zinc/68/31/37/893683137.db2.gz FUSDWSDFWJMRBK-QZTJIDSGSA-N 1 3 383.363 3.699 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379659038 893717208 /nfs/dbraw/zinc/71/72/08/893717208.db2.gz YFJDDJRLKAGMHN-YZGWKJHDSA-N 1 3 388.939 3.722 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379659038 893717216 /nfs/dbraw/zinc/71/72/16/893717216.db2.gz YFJDDJRLKAGMHN-YZGWKJHDSA-N 1 3 388.939 3.722 20 0 GHADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524974 893727114 /nfs/dbraw/zinc/72/71/14/893727114.db2.gz XGTIEUGCKXDSPZ-FPOVZHCZSA-N 1 3 383.580 3.503 20 0 GHADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524974 893727129 /nfs/dbraw/zinc/72/71/29/893727129.db2.gz XGTIEUGCKXDSPZ-FPOVZHCZSA-N 1 3 383.580 3.503 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3ccc(OCc4ccccc4F)cc3)CC2)CC1 ZINC000877747601 893788012 /nfs/dbraw/zinc/78/80/12/893788012.db2.gz TWYRLPMKVPLLAO-UHFFFAOYSA-N 1 3 397.538 3.617 20 0 GHADHO C[C@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C[N@@H+]1Cc1ccccc1 ZINC000563504824 893839342 /nfs/dbraw/zinc/83/93/42/893839342.db2.gz RSAWSAJWTJSHPT-HKUYNNGSSA-N 1 3 378.520 3.712 20 0 GHADHO C[C@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C[N@H+]1Cc1ccccc1 ZINC000563504824 893839359 /nfs/dbraw/zinc/83/93/59/893839359.db2.gz RSAWSAJWTJSHPT-HKUYNNGSSA-N 1 3 378.520 3.712 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4c(OC)cccc43)cc2)CC1 ZINC000564036312 894502066 /nfs/dbraw/zinc/50/20/66/894502066.db2.gz ANUYSTAKVVVTDO-XMMPIXPASA-N 1 3 393.575 4.000 20 0 GHADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285660 895437551 /nfs/dbraw/zinc/43/75/51/895437551.db2.gz AVXCKDPLYLTNGX-IBGZPJMESA-N 1 3 397.567 3.598 20 0 GHADHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285660 895437558 /nfs/dbraw/zinc/43/75/58/895437558.db2.gz AVXCKDPLYLTNGX-IBGZPJMESA-N 1 3 397.567 3.598 20 0 GHADHO Brc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001170864044 895561070 /nfs/dbraw/zinc/56/10/70/895561070.db2.gz QVCIXDLHADXRON-VAMGGRTRSA-N 1 3 393.369 3.539 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000565435517 895622598 /nfs/dbraw/zinc/62/25/98/895622598.db2.gz YTSXNSOTTSHQLL-OAQYLSRUSA-N 1 3 385.939 3.969 20 0 GHADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cccc(CN2CCCC2)c1 ZINC000566211871 896173445 /nfs/dbraw/zinc/17/34/45/896173445.db2.gz LODKPNHQMILMTQ-GGAORHGYSA-N 1 3 395.522 3.545 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819282958 896525793 /nfs/dbraw/zinc/52/57/93/896525793.db2.gz DWFQSKHDYZFWHN-ISKFKSNPSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819282958 896525802 /nfs/dbraw/zinc/52/58/02/896525802.db2.gz DWFQSKHDYZFWHN-ISKFKSNPSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccccc1[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333092 896575593 /nfs/dbraw/zinc/57/55/93/896575593.db2.gz GDNUAECTCZBPQW-ISKFKSNPSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccccc1[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333092 896575605 /nfs/dbraw/zinc/57/56/05/896575605.db2.gz GDNUAECTCZBPQW-ISKFKSNPSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000819333092 896575619 /nfs/dbraw/zinc/57/56/19/896575619.db2.gz GDNUAECTCZBPQW-ISKFKSNPSA-N 1 3 394.559 3.547 20 0 GHADHO c1ccc(CN2CCCC[C@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000567034083 896817959 /nfs/dbraw/zinc/81/79/59/896817959.db2.gz PLDGOCFFAPYSQP-HSZRJFAPSA-N 1 3 392.591 3.938 20 0 GHADHO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000567103532 896876338 /nfs/dbraw/zinc/87/63/38/896876338.db2.gz HSCLOFXYHOWQBN-JHMXWDHMSA-N 1 3 394.559 3.536 20 0 GHADHO O[C@H](CNC1CC[NH+](C2CCC2)CC1)COC(c1ccccc1)c1ccccc1 ZINC000567345501 897081204 /nfs/dbraw/zinc/08/12/04/897081204.db2.gz KCDSZIPSLQQSPY-XMMPIXPASA-N 1 3 394.559 3.760 20 0 GHADHO C[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820808258 897536393 /nfs/dbraw/zinc/53/63/93/897536393.db2.gz BTSGOXGJCCKXSH-JTSKRJEESA-N 1 3 381.520 3.717 20 0 GHADHO CC[C@H](Cc1ccccc1)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568777758 898095288 /nfs/dbraw/zinc/09/52/88/898095288.db2.gz GWBTVVKKFOAYBP-JOCHJYFZSA-N 1 3 385.596 3.662 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC)c(SC)c3)CC2)CC1 ZINC000568999941 898267013 /nfs/dbraw/zinc/26/70/13/898267013.db2.gz GTVXWCDXTPJLJS-UHFFFAOYSA-N 1 3 391.581 3.552 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000774965103 914266504 /nfs/dbraw/zinc/26/65/04/914266504.db2.gz WYOWIRLDOHWEIY-XMMPIXPASA-N 1 3 377.532 3.791 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCC1CCOCC1)CC2 ZINC001202637973 898767116 /nfs/dbraw/zinc/76/71/16/898767116.db2.gz RTXUJCLWGDJTFJ-IBGZPJMESA-N 1 3 378.582 3.620 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000155725265 899031826 /nfs/dbraw/zinc/03/18/26/899031826.db2.gz LQQMTEJFZNOZON-CABCVRRESA-N 1 3 387.540 3.687 20 0 GHADHO Cn1cc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728887 914317913 /nfs/dbraw/zinc/31/79/13/914317913.db2.gz PQXJJYRYCSQCIY-XMMPIXPASA-N 1 3 387.531 3.580 20 0 GHADHO Cn1cc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728887 914317918 /nfs/dbraw/zinc/31/79/18/914317918.db2.gz PQXJJYRYCSQCIY-XMMPIXPASA-N 1 3 387.531 3.580 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000570165729 899169444 /nfs/dbraw/zinc/16/94/44/899169444.db2.gz AGEIQBWVODSHSP-AUSIDOKSSA-N 1 3 391.559 3.622 20 0 GHADHO Cc1cc(Br)cc(CNCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000774981251 914334835 /nfs/dbraw/zinc/33/48/35/914334835.db2.gz XZEWDQDUAVZPQN-UHFFFAOYSA-N 1 3 377.326 3.988 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC000570543023 899374307 /nfs/dbraw/zinc/37/43/07/899374307.db2.gz UXGQYGDDCQMPGU-WMZHIEFXSA-N 1 3 379.548 3.921 20 0 GHADHO O=C(NCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000570590091 899413596 /nfs/dbraw/zinc/41/35/96/899413596.db2.gz KBAPABZXYQUKOO-YTFSRNRJSA-N 1 3 383.580 3.573 20 0 GHADHO C[C@@H]1CCCCN1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000571109633 899742895 /nfs/dbraw/zinc/74/28/95/899742895.db2.gz JYPZNGZPQBDRJP-DUXKGJEZSA-N 1 3 378.582 3.506 20 0 GHADHO FC(F)Oc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000571327355 899830896 /nfs/dbraw/zinc/83/08/96/899830896.db2.gz VUWGCNAUGXLYKD-ZIAGYGMSSA-N 1 3 389.284 3.872 20 0 GHADHO COc1cc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2n1 ZINC000571431579 899863782 /nfs/dbraw/zinc/86/37/82/899863782.db2.gz UFUIJYSLOVAEND-OFNKIYASSA-N 1 3 375.472 3.589 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2cnc(OC)c(C)c2)CC3)c1 ZINC001137003389 900024679 /nfs/dbraw/zinc/02/46/79/900024679.db2.gz OACQATHVFDVPCB-UHFFFAOYSA-N 1 3 395.547 3.895 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2cnc(OC)c(C)c2)CC3)c1 ZINC001137003389 900024690 /nfs/dbraw/zinc/02/46/90/900024690.db2.gz OACQATHVFDVPCB-UHFFFAOYSA-N 1 3 395.547 3.895 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000572352099 900158414 /nfs/dbraw/zinc/15/84/14/900158414.db2.gz SDUCZNIJRMIJBP-DEOSSOPVSA-N 1 3 381.564 3.596 20 0 GHADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)cc2)CC1 ZINC000844336532 900710953 /nfs/dbraw/zinc/71/09/53/900710953.db2.gz XTMHSIBCMXDXPM-ROUUACIJSA-N 1 3 399.457 3.515 20 0 GHADHO C[N@H+]1CCCN(c2ccc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)cc2)CC1 ZINC000844336532 900710962 /nfs/dbraw/zinc/71/09/62/900710962.db2.gz XTMHSIBCMXDXPM-ROUUACIJSA-N 1 3 399.457 3.515 20 0 GHADHO C[NH+](C)CCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC001143965043 900826878 /nfs/dbraw/zinc/82/68/78/900826878.db2.gz NFYWENLOYMVAAL-FQEVSTJZSA-N 1 3 389.559 3.761 20 0 GHADHO COc1ccc(-c2ncc(CN3CCC(C[NH+](C)C)CC3)s2)cc1OC ZINC001144064650 901008932 /nfs/dbraw/zinc/00/89/32/901008932.db2.gz NOTQWKZZXDAEJT-UHFFFAOYSA-N 1 3 375.538 3.601 20 0 GHADHO CC[N@@H+](CCCN(C)C)Cc1ccc(Br)c(Br)c1 ZINC001144212357 901264197 /nfs/dbraw/zinc/26/41/97/901264197.db2.gz WEKKQOYJFCSMHA-UHFFFAOYSA-N 1 3 378.152 3.985 20 0 GHADHO CC[N@H+](CCCN(C)C)Cc1ccc(Br)c(Br)c1 ZINC001144212357 901264179 /nfs/dbraw/zinc/26/41/79/901264179.db2.gz WEKKQOYJFCSMHA-UHFFFAOYSA-N 1 3 378.152 3.985 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4nc(C)sc4c3)CC2)CC1 ZINC000575890963 901436221 /nfs/dbraw/zinc/43/62/21/901436221.db2.gz GJGKUXYKTASDRM-UHFFFAOYSA-N 1 3 386.565 3.740 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)COCc1cccs1 ZINC000576100399 901682503 /nfs/dbraw/zinc/68/25/03/901682503.db2.gz LUSQFOGZZWGYBE-WIYYLYMNSA-N 1 3 388.577 3.790 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](O)COCc1cccs1 ZINC000576100399 901682508 /nfs/dbraw/zinc/68/25/08/901682508.db2.gz LUSQFOGZZWGYBE-WIYYLYMNSA-N 1 3 388.577 3.790 20 0 GHADHO CCOc1ccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000263934170 902694630 /nfs/dbraw/zinc/69/46/30/902694630.db2.gz BTKGPNLWLIYHCP-UHFFFAOYSA-N 1 3 398.547 3.865 20 0 GHADHO CCOc1ccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000263934170 902694635 /nfs/dbraw/zinc/69/46/35/902694635.db2.gz BTKGPNLWLIYHCP-UHFFFAOYSA-N 1 3 398.547 3.865 20 0 GHADHO COc1ccc([C@@H](C)NCC2(SC)CC[NH+](C)CC2)c(Br)c1 ZINC000577430818 902765763 /nfs/dbraw/zinc/76/57/63/902765763.db2.gz NKFCZNXASGNNAN-CYBMUJFWSA-N 1 3 387.387 3.936 20 0 GHADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000577839485 903258390 /nfs/dbraw/zinc/25/83/90/903258390.db2.gz NBIYCYQHJMRIFL-RDTXWAMCSA-N 1 3 394.947 3.547 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716638538 904695610 /nfs/dbraw/zinc/69/56/10/904695610.db2.gz PJOYUXRPKFTVOX-YFNVTMOMSA-N 1 3 399.579 3.932 20 0 GHADHO FC(F)(F)CN1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716721289 904698262 /nfs/dbraw/zinc/69/82/62/904698262.db2.gz ZWUJMXWADYSULA-HAGHYFMRSA-N 1 3 381.486 3.513 20 0 GHADHO CC(C)(C)OC(=O)N1CC=C(CNC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000187741420 904832496 /nfs/dbraw/zinc/83/24/96/904832496.db2.gz DRZBDVFZFCFSHN-UHFFFAOYSA-N 1 3 399.579 3.850 20 0 GHADHO C[NH+]1C(C)(C)CC(NC[C@H]2CSCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC001171625062 904888390 /nfs/dbraw/zinc/88/83/90/904888390.db2.gz ALQXGIBKIAGWQQ-INIZCTEOSA-N 1 3 385.618 3.580 20 0 GHADHO COc1ccccc1C(=O)N1CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171626022 904889956 /nfs/dbraw/zinc/88/99/56/904889956.db2.gz SIERMINFQZGOHD-UHFFFAOYSA-N 1 3 387.568 3.541 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CN1Cc1ccccc1 ZINC001171742304 905031381 /nfs/dbraw/zinc/03/13/81/905031381.db2.gz WXZSWUAYHGQMKA-HYBUGGRVSA-N 1 3 378.564 3.546 20 0 GHADHO CN(CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001171964554 905172629 /nfs/dbraw/zinc/17/26/29/905172629.db2.gz LUCVVSUOMRQKJS-LJQANCHMSA-N 1 3 375.557 3.886 20 0 GHADHO CN(CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001171964554 905172641 /nfs/dbraw/zinc/17/26/41/905172641.db2.gz LUCVVSUOMRQKJS-LJQANCHMSA-N 1 3 375.557 3.886 20 0 GHADHO CC1(C)C[C@@H](N2CC[C@@]3(CCN3c3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171981890 905234845 /nfs/dbraw/zinc/23/48/45/905234845.db2.gz QVWVFFNEJWLAGM-XUZZJYLKSA-N 1 3 391.563 3.574 20 0 GHADHO CC1(C)C[C@@H](N2CC[C@@]3(CCN3c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981890 905234859 /nfs/dbraw/zinc/23/48/59/905234859.db2.gz QVWVFFNEJWLAGM-XUZZJYLKSA-N 1 3 391.563 3.574 20 0 GHADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(I)cc1 ZINC001172104244 905351046 /nfs/dbraw/zinc/35/10/46/905351046.db2.gz DPMSWUXWQITPNU-YYQUZTFQSA-N 1 3 384.305 3.957 20 0 GHADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(I)cc1 ZINC001172104244 905351056 /nfs/dbraw/zinc/35/10/56/905351056.db2.gz DPMSWUXWQITPNU-YYQUZTFQSA-N 1 3 384.305 3.957 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172105624 905354043 /nfs/dbraw/zinc/35/40/43/905354043.db2.gz JCYFHKYEYYGBPZ-KJFMYELZSA-N 1 3 377.573 3.581 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172105624 905354054 /nfs/dbraw/zinc/35/40/54/905354054.db2.gz JCYFHKYEYYGBPZ-KJFMYELZSA-N 1 3 377.573 3.581 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@@H]3COCC3CC3)CC1)C2 ZINC001172118922 905376222 /nfs/dbraw/zinc/37/62/22/905376222.db2.gz ZEMNTFSPSCXQBF-YUMYIRISSA-N 1 3 376.585 3.547 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2CN)CCN1C(=O)OC(C)(C)C ZINC001172580257 905679107 /nfs/dbraw/zinc/67/91/07/905679107.db2.gz JASQOECFRHJMOY-BJLQDIEVSA-N 1 3 391.531 3.998 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2CN)CCN1C(=O)OC(C)(C)C ZINC001172580257 905679112 /nfs/dbraw/zinc/67/91/12/905679112.db2.gz JASQOECFRHJMOY-BJLQDIEVSA-N 1 3 391.531 3.998 20 0 GHADHO O=C1C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC001172664730 905749914 /nfs/dbraw/zinc/74/99/14/905749914.db2.gz RTVPFSKZBROSHS-QHCPKHFHSA-N 1 3 383.580 3.812 20 0 GHADHO O=C1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC001172664730 905749923 /nfs/dbraw/zinc/74/99/23/905749923.db2.gz RTVPFSKZBROSHS-QHCPKHFHSA-N 1 3 383.580 3.812 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001172778482 905818642 /nfs/dbraw/zinc/81/86/42/905818642.db2.gz MPRJTNOFJLKIDI-AZUAARDMSA-N 1 3 376.516 3.749 20 0 GHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001173091702 906150425 /nfs/dbraw/zinc/15/04/25/906150425.db2.gz UQIGKJDQDNLRCG-MRXNPFEDSA-N 1 3 393.453 3.947 20 0 GHADHO C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178444877 906344443 /nfs/dbraw/zinc/34/44/43/906344443.db2.gz ARVYQGPHDBWQSB-GOSISDBHSA-N 1 3 381.520 3.605 20 0 GHADHO CC(C)[N@H+](CCCN)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173384030 906412829 /nfs/dbraw/zinc/41/28/29/906412829.db2.gz NEXWOXFCLXAZSS-KURKYZTESA-N 1 3 398.588 3.514 20 0 GHADHO CC(C)[N@@H+](CCCN)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173384030 906412836 /nfs/dbraw/zinc/41/28/36/906412836.db2.gz NEXWOXFCLXAZSS-KURKYZTESA-N 1 3 398.588 3.514 20 0 GHADHO NCCC[N@H+](C1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173410810 906437148 /nfs/dbraw/zinc/43/71/48/906437148.db2.gz QIZLLVCNQQOGJN-UHFFFAOYSA-N 1 3 377.960 3.928 20 0 GHADHO NCCC[N@@H+](C1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173410810 906437155 /nfs/dbraw/zinc/43/71/55/906437155.db2.gz QIZLLVCNQQOGJN-UHFFFAOYSA-N 1 3 377.960 3.928 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H](N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662261 906597898 /nfs/dbraw/zinc/59/78/98/906597898.db2.gz WQHVPQJXIZAXAM-NQIIRXRSSA-N 1 3 376.516 3.844 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H](N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662261 906597901 /nfs/dbraw/zinc/59/79/01/906597901.db2.gz WQHVPQJXIZAXAM-NQIIRXRSSA-N 1 3 376.516 3.844 20 0 GHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(Cl)c1 ZINC000180996084 906893275 /nfs/dbraw/zinc/89/32/75/906893275.db2.gz IDTMWCXAQHSVNS-CQSZACIVSA-N 1 3 377.891 3.621 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844820 907251237 /nfs/dbraw/zinc/25/12/37/907251237.db2.gz HDLUCMUFYMUYKQ-RXVVDRJESA-N 1 3 389.584 3.969 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844820 907251247 /nfs/dbraw/zinc/25/12/47/907251247.db2.gz HDLUCMUFYMUYKQ-RXVVDRJESA-N 1 3 389.584 3.969 20 0 GHADHO CC(C)C(=O)N1CCC([NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183128148 907332720 /nfs/dbraw/zinc/33/27/20/907332720.db2.gz CLSUCGLIDVPAIT-PMVMPFDFSA-N 1 3 383.580 3.524 20 0 GHADHO COc1cc(C[NH+](C)C)ccc1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000633374047 908294801 /nfs/dbraw/zinc/29/48/01/908294801.db2.gz PFNYEUCQRFRZRT-UHFFFAOYSA-N 1 3 381.476 3.817 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000189955476 908392457 /nfs/dbraw/zinc/39/24/57/908392457.db2.gz IWHVNRCDBNSPNZ-RTBURBONSA-N 1 3 379.548 3.635 20 0 GHADHO CCCC[NH+]1CCC(NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001177505987 908605447 /nfs/dbraw/zinc/60/54/47/908605447.db2.gz BAESTNXMVHCSIB-HNNXBMFYSA-N 1 3 381.483 3.686 20 0 GHADHO C[NH+](C)CCOc1ccc(CCNCc2cc(F)ccc2Br)cc1 ZINC001177784815 908756002 /nfs/dbraw/zinc/75/60/02/908756002.db2.gz QAEMAZUCKQEPTG-UHFFFAOYSA-N 1 3 395.316 3.861 20 0 GHADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000266952479 909348254 /nfs/dbraw/zinc/34/82/54/909348254.db2.gz TZXWYZNLASGEJW-AWEZNQCLSA-N 1 3 398.378 3.772 20 0 GHADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001180235214 910037879 /nfs/dbraw/zinc/03/78/79/910037879.db2.gz VUFMDYSJICKADL-RCZVLFRGSA-N 1 3 393.575 3.943 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)CCC2 ZINC000269121644 910149558 /nfs/dbraw/zinc/14/95/58/910149558.db2.gz XSPDFXPHFGOROZ-DEOSSOPVSA-N 1 3 380.532 3.819 20 0 GHADHO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)CCC2 ZINC000269121644 910149563 /nfs/dbraw/zinc/14/95/63/910149563.db2.gz XSPDFXPHFGOROZ-DEOSSOPVSA-N 1 3 380.532 3.819 20 0 GHADHO CN(CC(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1)C1CCCC1 ZINC001180628692 910276732 /nfs/dbraw/zinc/27/67/32/910276732.db2.gz BFYOCFUIIFEJBH-UHFFFAOYSA-N 1 3 397.485 3.660 20 0 GHADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCCN3C3CCOCC3)c2)CC1 ZINC000271261327 910836681 /nfs/dbraw/zinc/83/66/81/910836681.db2.gz KRTUTJMARKIVAU-HSZRJFAPSA-N 1 3 399.579 3.543 20 0 GHADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCCN3C3CCOCC3)c2)CC1 ZINC000271261331 910837017 /nfs/dbraw/zinc/83/70/17/910837017.db2.gz KRTUTJMARKIVAU-QHCPKHFHSA-N 1 3 399.579 3.543 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CNCc3c[nH]nc3-c3ccccc3)cc2)CC1 ZINC000284049502 911734036 /nfs/dbraw/zinc/73/40/36/911734036.db2.gz PEZIQRJBBCREGT-UHFFFAOYSA-N 1 3 376.504 3.840 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000796358034 914965845 /nfs/dbraw/zinc/96/58/45/914965845.db2.gz PPTKZQYPCRJWCC-VWLOTQADSA-N 1 3 395.591 3.638 20 0 GHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000796358034 914965854 /nfs/dbraw/zinc/96/58/54/914965854.db2.gz PPTKZQYPCRJWCC-VWLOTQADSA-N 1 3 395.591 3.638 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccc2c(c1)CNC2 ZINC000647076406 915019126 /nfs/dbraw/zinc/01/91/26/915019126.db2.gz JNYXBDJOXSEDTN-KRWDZBQOSA-N 1 3 379.504 3.795 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc2c(c1)CNC2 ZINC000647076406 915019146 /nfs/dbraw/zinc/01/91/46/915019146.db2.gz JNYXBDJOXSEDTN-KRWDZBQOSA-N 1 3 379.504 3.795 20 0 GHADHO Cc1ccc(-c2nn(C)cc2CNCc2ccc(OC3CC[NH+](C)CC3)cc2)o1 ZINC000647209465 915084375 /nfs/dbraw/zinc/08/43/75/915084375.db2.gz JUCVTGPTIWWHIH-UHFFFAOYSA-N 1 3 394.519 3.751 20 0 GHADHO [NH3+]Cc1ccc(CN[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)cc1 ZINC000647803319 915390942 /nfs/dbraw/zinc/39/09/42/915390942.db2.gz VHAVUDAHZHYJAK-MOPGFXCFSA-N 1 3 375.310 3.918 20 0 GHADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)cc21 ZINC000649753496 916380419 /nfs/dbraw/zinc/38/04/19/916380419.db2.gz MGAVBLLUMOWSEQ-DLBZAZTESA-N 1 3 397.441 3.889 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OCC(C)C ZINC000650722484 917248520 /nfs/dbraw/zinc/24/85/20/917248520.db2.gz VJKFGFYPZIICLN-ZVDOUQERSA-N 1 3 376.541 3.591 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1OC ZINC000650722743 917250697 /nfs/dbraw/zinc/25/06/97/917250697.db2.gz ALKNTWQXWQIBQF-ROPHOZQPSA-N 1 3 376.541 3.733 20 0 GHADHO CCCCNC(=O)[C@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001190682345 917511405 /nfs/dbraw/zinc/51/14/05/917511405.db2.gz GNJJJIUKCGXWOC-DEOSSOPVSA-N 1 3 399.623 3.960 20 0 GHADHO CCCCNC(=O)[C@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001190682345 917511416 /nfs/dbraw/zinc/51/14/16/917511416.db2.gz GNJJJIUKCGXWOC-DEOSSOPVSA-N 1 3 399.623 3.960 20 0 GHADHO CCN1CCN(Cc2ccc(C(=O)NCC[PH+](C(C)C)C(C)C)cc2)CC1 ZINC001190871409 917620060 /nfs/dbraw/zinc/62/00/60/917620060.db2.gz ZIYNJWKADCYFQH-UHFFFAOYSA-N 1 3 391.540 3.853 20 0 GHADHO Cc1nn(-c2cccc(C)c2)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000651645776 917685178 /nfs/dbraw/zinc/68/51/78/917685178.db2.gz CPIVOZZZFOZHOS-UHFFFAOYSA-N 1 3 382.552 3.566 20 0 GHADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902504261 922244654 /nfs/dbraw/zinc/24/46/54/922244654.db2.gz NFXLWSOTWKOAJC-WGGBDISSSA-N 1 3 379.504 3.558 20 0 GHADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2nccn2CC(F)(F)F)CC1 ZINC000367735502 922287535 /nfs/dbraw/zinc/28/75/35/922287535.db2.gz AEOFABNWNLJLJH-UHFFFAOYSA-N 1 3 380.458 3.978 20 0 GHADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2nccn2CC(F)(F)F)CC1 ZINC000367735502 922287548 /nfs/dbraw/zinc/28/75/48/922287548.db2.gz AEOFABNWNLJLJH-UHFFFAOYSA-N 1 3 380.458 3.978 20 0 GHADHO c1ccc(CC[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000902808238 922510679 /nfs/dbraw/zinc/51/06/79/922510679.db2.gz GKNXJENQSLFKSK-QPPBQGQZSA-N 1 3 379.548 3.846 20 0 GHADHO C[NH+](C)CC1CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000676751078 924061062 /nfs/dbraw/zinc/06/10/62/924061062.db2.gz WDTIFLSPWASXMU-VTLFHKLASA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000678772539 924916200 /nfs/dbraw/zinc/91/62/00/924916200.db2.gz APGRDFAWCDAUCG-DVECYGJZSA-N 1 3 391.559 3.925 20 0 GHADHO COc1ccc([C@@H](N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccc(F)cc2)cc1 ZINC000679339322 925100352 /nfs/dbraw/zinc/10/03/52/925100352.db2.gz HIRXMEGUBQDGBF-QPPBQGQZSA-N 1 3 397.538 3.682 20 0 GHADHO C[C@H](CCN1CC[C@@H](Cc2ccncc2)C1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680890627 925645630 /nfs/dbraw/zinc/64/56/30/925645630.db2.gz JSKFQTMHDALBPC-QDSKXPNFSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CCN1CC[C@@H](Cc2ccncc2)C1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680890627 925645643 /nfs/dbraw/zinc/64/56/43/925645643.db2.gz JSKFQTMHDALBPC-QDSKXPNFSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000680890627 925645644 /nfs/dbraw/zinc/64/56/44/925645644.db2.gz JSKFQTMHDALBPC-QDSKXPNFSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CC[N@H+]1CC[C@@H](Cc2ccncc2)C1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000680890627 925645650 /nfs/dbraw/zinc/64/56/50/925645650.db2.gz JSKFQTMHDALBPC-QDSKXPNFSA-N 1 3 378.564 3.684 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000682069519 926001995 /nfs/dbraw/zinc/00/19/95/926001995.db2.gz QSDCSWGFVIUOIQ-UHFFFAOYSA-N 1 3 394.357 3.584 20 0 GHADHO c1nnc([C@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1C1CC1 ZINC000411398328 926366804 /nfs/dbraw/zinc/36/68/04/926366804.db2.gz JERUXLKFZHULJC-NRFANRHFSA-N 1 3 379.552 3.979 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000411463655 926418495 /nfs/dbraw/zinc/41/84/95/926418495.db2.gz WMYRVZNWVDWNPF-QFIPXVFZSA-N 1 3 399.966 3.814 20 0 GHADHO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c(F)c1 ZINC000412561452 927576825 /nfs/dbraw/zinc/57/68/25/927576825.db2.gz UFKUHODSXZSBHM-SFHVURJKSA-N 1 3 387.474 3.877 20 0 GHADHO O=C(NC1CCC([NH+]2CCCCC2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000751081949 928019568 /nfs/dbraw/zinc/01/95/68/928019568.db2.gz FRTDVRUGRKWUJC-OOMBGRCJSA-N 1 3 398.595 3.747 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)CC1 ZINC000752099263 928613129 /nfs/dbraw/zinc/61/31/29/928613129.db2.gz AJVPQSZVQGOFSR-DEOSSOPVSA-N 1 3 393.575 3.822 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000544624213 929357924 /nfs/dbraw/zinc/35/79/24/929357924.db2.gz NOGIOBWDKHHWEF-QFBILLFUSA-N 1 3 380.602 3.503 20 0 GHADHO CC(C)N(CC(F)(F)F)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469763467 930145638 /nfs/dbraw/zinc/14/56/38/930145638.db2.gz JTPXEMQCDBZXHU-IRXDYDNUSA-N 1 3 399.501 3.532 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470374389 930569481 /nfs/dbraw/zinc/56/94/81/930569481.db2.gz PGGWEOGXFVQBIR-QZTJIDSGSA-N 1 3 377.532 3.698 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000558919714 932315898 /nfs/dbraw/zinc/31/58/98/932315898.db2.gz FWTHHBIOSQAUPX-HXUWFJFHSA-N 1 3 394.401 3.834 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000777610868 932354268 /nfs/dbraw/zinc/35/42/68/932354268.db2.gz PQMPAMNCUQQFDE-HYBUGGRVSA-N 1 3 378.564 3.761 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000777610868 932354273 /nfs/dbraw/zinc/35/42/73/932354273.db2.gz PQMPAMNCUQQFDE-HYBUGGRVSA-N 1 3 378.564 3.761 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000777610865 932354370 /nfs/dbraw/zinc/35/43/70/932354370.db2.gz PQMPAMNCUQQFDE-GBXCKJPGSA-N 1 3 378.564 3.761 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000777610865 932354380 /nfs/dbraw/zinc/35/43/80/932354380.db2.gz PQMPAMNCUQQFDE-GBXCKJPGSA-N 1 3 378.564 3.761 20 0 GHADHO CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)O2 ZINC000926996589 932375384 /nfs/dbraw/zinc/37/53/84/932375384.db2.gz LZZKUCIBTCIJCC-OJCRERRGSA-N 1 3 380.573 3.508 20 0 GHADHO COc1cc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000798498351 932673529 /nfs/dbraw/zinc/67/35/29/932673529.db2.gz QYPZBNSXAQALFI-HSZRJFAPSA-N 1 3 384.520 3.714 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936084 932824262 /nfs/dbraw/zinc/82/42/62/932824262.db2.gz XJHFNESKWLOOQX-JWQCQUIFSA-N 1 3 391.559 3.982 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936084 932824276 /nfs/dbraw/zinc/82/42/76/932824276.db2.gz XJHFNESKWLOOQX-JWQCQUIFSA-N 1 3 391.559 3.982 20 0 GHADHO CCOC(=O)CC(C)(C)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000561865492 934517518 /nfs/dbraw/zinc/51/75/18/934517518.db2.gz QWAYQRDYAOZBRF-RTBURBONSA-N 1 3 382.589 3.567 20 0 GHADHO c1cnn(-c2ccc(C[NH+]3CCC4(CCN(Cc5cccnc5)C4)CC3)cc2)c1 ZINC001137758386 935774634 /nfs/dbraw/zinc/77/46/34/935774634.db2.gz SORJZEZJHSHBKQ-UHFFFAOYSA-N 1 3 387.531 3.755 20 0 GHADHO C[NH+](C)[C@H](CC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 ZINC000468108740 1015276177 /nfs/dbraw/zinc/27/61/77/1015276177.db2.gz MGAKXXAYQZLRIW-JOCHJYFZSA-N 1 3 397.588 3.909 20 0 GHADHO COc1cccc([C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)N2CCCC2)c1 ZINC000545309351 1015762790 /nfs/dbraw/zinc/76/27/90/1015762790.db2.gz YKBHQOUZUFHMOA-QFIPXVFZSA-N 1 3 387.568 3.603 20 0 GHADHO COc1cccc([C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)N2CCCC2)c1 ZINC000545309351 1015762795 /nfs/dbraw/zinc/76/27/95/1015762795.db2.gz YKBHQOUZUFHMOA-QFIPXVFZSA-N 1 3 387.568 3.603 20 0 GHADHO CN(C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000470753120 1016881509 /nfs/dbraw/zinc/88/15/09/1016881509.db2.gz CZGUYYSNHAXTGO-PKTZIBPZSA-N 1 3 394.563 3.595 20 0 GHADHO CN(C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000470753120 1016881527 /nfs/dbraw/zinc/88/15/27/1016881527.db2.gz CZGUYYSNHAXTGO-PKTZIBPZSA-N 1 3 394.563 3.595 20 0 GHADHO Cc1csc2sc(C[N@H+]3CC[C@]4(CCN(CCN(C)C)C4=O)C3)c(C)c12 ZINC001277201161 1032382365 /nfs/dbraw/zinc/38/23/65/1032382365.db2.gz QWVXYXYESQWKRG-FQEVSTJZSA-N 1 3 391.606 3.566 20 0 GHADHO Cc1csc2sc(C[N@@H+]3CC[C@]4(CCN(CCN(C)C)C4=O)C3)c(C)c12 ZINC001277201161 1032382372 /nfs/dbraw/zinc/38/23/72/1032382372.db2.gz QWVXYXYESQWKRG-FQEVSTJZSA-N 1 3 391.606 3.566 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001221794845 1032538305 /nfs/dbraw/zinc/53/83/05/1032538305.db2.gz YOJCPSISYGICOR-FYYLOGMGSA-N 1 3 386.584 3.605 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001221794845 1032538314 /nfs/dbraw/zinc/53/83/14/1032538314.db2.gz YOJCPSISYGICOR-FYYLOGMGSA-N 1 3 386.584 3.605 20 0 GHADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1OCCO ZINC000559741126 1017494339 /nfs/dbraw/zinc/49/43/39/1017494339.db2.gz ZEAUNLISNRXCCS-WMQCIHAUSA-N 1 3 384.520 3.552 20 0 GHADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1OCCO ZINC000559741126 1017494342 /nfs/dbraw/zinc/49/43/42/1017494342.db2.gz ZEAUNLISNRXCCS-WMQCIHAUSA-N 1 3 384.520 3.552 20 0 GHADHO C[C@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC001227962943 1032717566 /nfs/dbraw/zinc/71/75/66/1032717566.db2.gz RYMFTOXWJJNAMF-ADJUMVDMSA-N 1 3 386.584 3.584 20 0 GHADHO COc1cccc2c1OCCC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000631619035 1020895525 /nfs/dbraw/zinc/89/55/25/1020895525.db2.gz XZHHEMHDSLBPDM-IFMALSPDSA-N 1 3 396.531 3.655 20 0 GHADHO COc1cccc2c1OCCC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000631619035 1020895533 /nfs/dbraw/zinc/89/55/33/1020895533.db2.gz XZHHEMHDSLBPDM-IFMALSPDSA-N 1 3 396.531 3.655 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245786183 1021025640 /nfs/dbraw/zinc/02/56/40/1021025640.db2.gz ZNYYSSCNRWNHAH-BURNTYAHSA-N 1 3 385.552 3.781 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245786183 1021025647 /nfs/dbraw/zinc/02/56/47/1021025647.db2.gz ZNYYSSCNRWNHAH-BURNTYAHSA-N 1 3 385.552 3.781 20 0 GHADHO c1ccc(CN2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000834586136 1021283077 /nfs/dbraw/zinc/28/30/77/1021283077.db2.gz ZBEHTNKRKWRKAN-NDBXHCKUSA-N 1 3 397.607 3.663 20 0 GHADHO CN(Cc1ccccc1-c1cnc(N)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001140325244 1021404733 /nfs/dbraw/zinc/40/47/33/1021404733.db2.gz MTFSELZDRDTWBY-FQEVSTJZSA-N 1 3 387.531 3.680 20 0 GHADHO CN(Cc1ccccc1-c1cnc(N)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140325244 1021404740 /nfs/dbraw/zinc/40/47/40/1021404740.db2.gz MTFSELZDRDTWBY-FQEVSTJZSA-N 1 3 387.531 3.680 20 0 GHADHO Cc1ccc2n[nH]c(C[N@H+]3C[C@@H]4CCC[C@@H](N(C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330598 1021422613 /nfs/dbraw/zinc/42/26/13/1021422613.db2.gz GWRFRCYGPORMFE-SNYIIPAISA-N 1 3 389.547 3.999 20 0 GHADHO Cc1ccc2n[nH]c(C[N@@H+]3C[C@@H]4CCC[C@@H](N(C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330598 1021422618 /nfs/dbraw/zinc/42/26/18/1021422618.db2.gz GWRFRCYGPORMFE-SNYIIPAISA-N 1 3 389.547 3.999 20 0 GHADHO Cc1ccsc1[C@H](Cc1ccccc1)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000680395244 1022153646 /nfs/dbraw/zinc/15/36/46/1022153646.db2.gz YAHSMNHBLRTMTA-NRFANRHFSA-N 1 3 397.588 3.673 20 0 GHADHO COC(=O)Cc1ccccc1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001140654726 1022173047 /nfs/dbraw/zinc/17/30/47/1022173047.db2.gz ZAENIQCOVODUQF-UHFFFAOYSA-N 1 3 378.516 3.500 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H](C)[C@@H](C)c3ccccc3)cc2)CC1 ZINC000754184416 1022525783 /nfs/dbraw/zinc/52/57/83/1022525783.db2.gz PZWYZDNZGMSWJO-WOJBJXKFSA-N 1 3 394.563 3.549 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cc2ccccc2n1C ZINC001202859394 1025255424 /nfs/dbraw/zinc/25/54/24/1025255424.db2.gz GDRNRXKOKRYJNX-ZJSXRUAMSA-N 1 3 377.532 3.805 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cc2ccccc2n1C ZINC001202859394 1025255427 /nfs/dbraw/zinc/25/54/27/1025255427.db2.gz GDRNRXKOKRYJNX-ZJSXRUAMSA-N 1 3 377.532 3.805 20 0 GHADHO Brc1cc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)ccn1 ZINC001138734373 1025268053 /nfs/dbraw/zinc/26/80/53/1025268053.db2.gz AUEIXWICRDDVBU-UHFFFAOYSA-N 1 3 386.337 3.942 20 0 GHADHO COc1cccc(O[C@H]2CCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC001138772664 1025343348 /nfs/dbraw/zinc/34/33/48/1025343348.db2.gz UQUIEAIVYGEPKF-QHCPKHFHSA-N 1 3 384.520 3.679 20 0 GHADHO COC(=O)c1cccc([C@H]2CCCN2Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001138773862 1025346957 /nfs/dbraw/zinc/34/69/57/1025346957.db2.gz QJWPPUIPLZGHDX-JOCHJYFZSA-N 1 3 382.504 3.751 20 0 GHADHO FC(F)(F)c1ccc2nccc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)c2c1 ZINC001162963935 1025988680 /nfs/dbraw/zinc/98/86/80/1025988680.db2.gz VVPVGXCMWYZXPN-HNNXBMFYSA-N 1 3 379.426 3.636 20 0 GHADHO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2c1 ZINC001166247841 1026952897 /nfs/dbraw/zinc/95/28/97/1026952897.db2.gz LGWRCSZTKMTOFG-SFHVURJKSA-N 1 3 396.579 3.731 20 0 GHADHO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2c1 ZINC001166247841 1026952899 /nfs/dbraw/zinc/95/28/99/1026952899.db2.gz LGWRCSZTKMTOFG-SFHVURJKSA-N 1 3 396.579 3.731 20 0 GHADHO c1ccc([C@H](CNc2cncc([C@H]3CN4CCC3CC4)n2)[NH+]2CCCC2)cc1 ZINC001166890435 1027136270 /nfs/dbraw/zinc/13/62/70/1027136270.db2.gz ZPQMXODTDJPEFK-UNMCSNQZSA-N 1 3 377.536 3.535 20 0 GHADHO C[NH+]1CCN(CCNc2ccc(Nc3ccnc(-c4ccccc4)c3)cn2)CC1 ZINC001209814964 1027213537 /nfs/dbraw/zinc/21/35/37/1027213537.db2.gz WNAAQAACERLUMQ-UHFFFAOYSA-N 1 3 388.519 3.547 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccccc1C)CC2 ZINC001203702354 1027542823 /nfs/dbraw/zinc/54/28/23/1027542823.db2.gz YMAOFRPWDZUQAL-HSZRJFAPSA-N 1 3 379.548 3.893 20 0 GHADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1Br ZINC001461429065 1069545487 /nfs/dbraw/zinc/54/54/87/1069545487.db2.gz CIJQRHDZFMAXAY-LJQANCHMSA-N 1 3 389.337 3.614 20 0 GHADHO Cc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1Br ZINC001461429065 1069545495 /nfs/dbraw/zinc/54/54/95/1069545495.db2.gz CIJQRHDZFMAXAY-LJQANCHMSA-N 1 3 389.337 3.614 20 0 GHADHO CNc1cc(Nc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)cc[nH+]1 ZINC001216335504 1029608120 /nfs/dbraw/zinc/60/81/20/1029608120.db2.gz TZVDIVBJJRQVED-UHFFFAOYSA-N 1 3 393.535 3.957 20 0 GHADHO Brc1ccc(-c2nc(CN3CCC4(C3)CC[NH2+]CC4)co2)cc1 ZINC000843363752 1029942250 /nfs/dbraw/zinc/94/22/50/1029942250.db2.gz OCTMKROFZRJMJY-UHFFFAOYSA-N 1 3 376.298 3.680 20 0 GHADHO CCOC(OCC)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222610216 1030234085 /nfs/dbraw/zinc/23/40/85/1030234085.db2.gz VFRIGWCUBYMVHN-JOCHJYFZSA-N 1 3 380.532 3.947 20 0 GHADHO CCOC(OCC)c1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222610216 1030234100 /nfs/dbraw/zinc/23/41/00/1030234100.db2.gz VFRIGWCUBYMVHN-JOCHJYFZSA-N 1 3 380.532 3.947 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001222618474 1030242725 /nfs/dbraw/zinc/24/27/25/1030242725.db2.gz SKJUYDOTFDGUPU-PKTZIBPZSA-N 1 3 398.595 3.605 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001222618474 1030242728 /nfs/dbraw/zinc/24/27/28/1030242728.db2.gz SKJUYDOTFDGUPU-PKTZIBPZSA-N 1 3 398.595 3.605 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001150152571 1030429965 /nfs/dbraw/zinc/42/99/65/1030429965.db2.gz AZMHTLXXOBILIW-FGCOXFRFSA-N 1 3 391.559 3.535 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150152571 1030429973 /nfs/dbraw/zinc/42/99/73/1030429973.db2.gz AZMHTLXXOBILIW-FGCOXFRFSA-N 1 3 391.559 3.535 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)CC(C)C ZINC001223089970 1030434435 /nfs/dbraw/zinc/43/44/35/1030434435.db2.gz UBUHKDKDFNNSEP-FCHUYYIVSA-N 1 3 388.600 3.707 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC001223499233 1030606531 /nfs/dbraw/zinc/60/65/31/1030606531.db2.gz RTZFHQFESKNWRB-QFIPXVFZSA-N 1 3 386.584 3.729 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC001223657165 1030689507 /nfs/dbraw/zinc/68/95/07/1030689507.db2.gz WZYWCXGOSYSYGU-RXVVDRJESA-N 1 3 390.616 3.763 20 0 GHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC001224736161 1031095145 /nfs/dbraw/zinc/09/51/45/1031095145.db2.gz VPTQVYICCHUVDE-LJQANCHMSA-N 1 3 380.621 3.650 20 0 GHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC001224736161 1031095157 /nfs/dbraw/zinc/09/51/57/1031095157.db2.gz VPTQVYICCHUVDE-LJQANCHMSA-N 1 3 380.621 3.650 20 0 GHADHO O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001219818932 1031634003 /nfs/dbraw/zinc/63/40/03/1031634003.db2.gz UTPHBMVJBOQGTJ-FCEUIQTBSA-N 1 3 397.950 3.771 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001205678673 1033526465 /nfs/dbraw/zinc/52/64/65/1033526465.db2.gz RWNWUKBKRQTUMH-LJQANCHMSA-N 1 3 391.556 3.552 20 0 GHADHO COc1ccc(CN2CCC(C[NH3+])(c3ccccc3)CC2)c(Br)c1 ZINC001206755535 1033970170 /nfs/dbraw/zinc/97/01/70/1033970170.db2.gz LJEBFTQARFNDFT-UHFFFAOYSA-N 1 3 389.337 3.950 20 0 GHADHO CN1CCC(N(c2nc3ccc(Cl)cc3nc2Cl)C2CC[NH2+]CC2)CC1 ZINC001158575333 1034161634 /nfs/dbraw/zinc/16/16/34/1034161634.db2.gz MDCWFKGZXXNSBA-UHFFFAOYSA-N 1 3 394.350 3.589 20 0 GHADHO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001230895016 1034277251 /nfs/dbraw/zinc/27/72/51/1034277251.db2.gz FBPYTGOMKKKQEI-OAQYLSRUSA-N 1 3 394.563 3.538 20 0 GHADHO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001230895016 1034277264 /nfs/dbraw/zinc/27/72/64/1034277264.db2.gz FBPYTGOMKKKQEI-OAQYLSRUSA-N 1 3 394.563 3.538 20 0 GHADHO CCN(C)C1CC[NH+](CC2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001207809759 1034588400 /nfs/dbraw/zinc/58/84/00/1034588400.db2.gz ZFMNGKFRSUKGDA-UHFFFAOYSA-N 1 3 379.589 3.830 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncc4cc(F)ccc4n3)c3ccccc23)CC1 ZINC001159461235 1034605872 /nfs/dbraw/zinc/60/58/72/1034605872.db2.gz QSOQEDZEXZQZNG-UHFFFAOYSA-N 1 3 389.478 3.678 20 0 GHADHO COCCCOc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001231505961 1034650498 /nfs/dbraw/zinc/65/04/98/1034650498.db2.gz WMVQNGZRGKXFPM-DHIUTWEWSA-N 1 3 380.532 3.666 20 0 GHADHO Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C(C)C)C2)o1 ZINC001208154353 1034758787 /nfs/dbraw/zinc/75/87/87/1034758787.db2.gz GWJVMUFUCMUWIQ-NRDMVMEKSA-N 1 3 385.556 3.547 20 0 GHADHO Cc1ccc([C@@H](C)CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C(C)C)C2)o1 ZINC001208154353 1034758798 /nfs/dbraw/zinc/75/87/98/1034758798.db2.gz GWJVMUFUCMUWIQ-NRDMVMEKSA-N 1 3 385.556 3.547 20 0 GHADHO CCN1C(=O)[C@H](c2ccccc2)CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208187495 1034785790 /nfs/dbraw/zinc/78/57/90/1034785790.db2.gz XMMDBPZYLADYGU-QFIPXVFZSA-N 1 3 397.607 3.979 20 0 GHADHO CCCOc1ncccc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001231860304 1034949191 /nfs/dbraw/zinc/94/91/91/1034949191.db2.gz BZQIIUHBGBBKCM-HXUWFJFHSA-N 1 3 399.535 3.719 20 0 GHADHO CCCOc1ncccc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001231860304 1034949192 /nfs/dbraw/zinc/94/91/92/1034949192.db2.gz BZQIIUHBGBBKCM-HXUWFJFHSA-N 1 3 399.535 3.719 20 0 GHADHO COc1ccc(CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC001208760322 1035004573 /nfs/dbraw/zinc/00/45/73/1035004573.db2.gz DOWNLOZPGUSNQD-DEOSSOPVSA-N 1 3 380.532 3.844 20 0 GHADHO COc1ccc(CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC001208760322 1035004580 /nfs/dbraw/zinc/00/45/80/1035004580.db2.gz DOWNLOZPGUSNQD-DEOSSOPVSA-N 1 3 380.532 3.844 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001232094814 1035091855 /nfs/dbraw/zinc/09/18/55/1035091855.db2.gz JYQUYVMOUAAMOW-JOCHJYFZSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001232094814 1035091864 /nfs/dbraw/zinc/09/18/64/1035091864.db2.gz JYQUYVMOUAAMOW-JOCHJYFZSA-N 1 3 390.531 3.818 20 0 GHADHO O=C1N(CC2CC2)CC[C@]12CCC[N@H+](C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208934615 1035099086 /nfs/dbraw/zinc/09/90/86/1035099086.db2.gz JZIVSIZIDZBOKZ-ZCYQVOJMSA-N 1 3 395.591 3.623 20 0 GHADHO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208934615 1035099094 /nfs/dbraw/zinc/09/90/94/1035099094.db2.gz JZIVSIZIDZBOKZ-ZCYQVOJMSA-N 1 3 395.591 3.623 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208934718 1035100595 /nfs/dbraw/zinc/10/05/95/1035100595.db2.gz FZPRKDSTWIFRCA-RBZQAINGSA-N 1 3 384.564 3.559 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208934718 1035100602 /nfs/dbraw/zinc/10/06/02/1035100602.db2.gz FZPRKDSTWIFRCA-RBZQAINGSA-N 1 3 384.564 3.559 20 0 GHADHO CN(C)C(=O)N1CCCC12CCN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208935936 1035101483 /nfs/dbraw/zinc/10/14/83/1035101483.db2.gz QLUUKYYFWRMVDO-QFIPXVFZSA-N 1 3 398.595 3.511 20 0 GHADHO CN(C)C(=O)N1CCCC12CCN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208935936 1035101486 /nfs/dbraw/zinc/10/14/86/1035101486.db2.gz QLUUKYYFWRMVDO-QFIPXVFZSA-N 1 3 398.595 3.511 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208951276 1035122327 /nfs/dbraw/zinc/12/23/27/1035122327.db2.gz AYPBGJFYYATDGR-NRSPTQNISA-N 1 3 387.568 3.744 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208951276 1035122337 /nfs/dbraw/zinc/12/23/37/1035122337.db2.gz AYPBGJFYYATDGR-NRSPTQNISA-N 1 3 387.568 3.744 20 0 GHADHO CN(Cc1cc(F)cc(C[NH+](C)C)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232147802 1035126287 /nfs/dbraw/zinc/12/62/87/1035126287.db2.gz LMOQMKSTVDALOW-IBGZPJMESA-N 1 3 379.520 3.719 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001232148594 1035126705 /nfs/dbraw/zinc/12/67/05/1035126705.db2.gz RLVCCGZCZPPNPE-NRFANRHFSA-N 1 3 387.524 3.578 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001232148594 1035126706 /nfs/dbraw/zinc/12/67/06/1035126706.db2.gz RLVCCGZCZPPNPE-NRFANRHFSA-N 1 3 387.524 3.578 20 0 GHADHO c1ccc(CN2CC[C@H](C[N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001208960162 1035131030 /nfs/dbraw/zinc/13/10/30/1035131030.db2.gz USRRMYFILXTILA-CCDWMCETSA-N 1 3 375.560 3.715 20 0 GHADHO c1ccc(CN2CC[C@H](C[N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001208960162 1035131033 /nfs/dbraw/zinc/13/10/33/1035131033.db2.gz USRRMYFILXTILA-CCDWMCETSA-N 1 3 375.560 3.715 20 0 GHADHO Cc1ccc(CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)CN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161396660 1035221950 /nfs/dbraw/zinc/22/19/50/1035221950.db2.gz ONZFKZSHQFYOAH-NCXUSEDFSA-N 1 3 397.485 3.524 20 0 GHADHO CN1CCC(N(Cc2ccc(F)cc2)C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC001161438379 1035231437 /nfs/dbraw/zinc/23/14/37/1035231437.db2.gz GNIDSROCVXPBAL-UHFFFAOYSA-N 1 3 375.532 3.548 20 0 GHADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001161453357 1035234225 /nfs/dbraw/zinc/23/42/25/1035234225.db2.gz DXRFUYMFMWFUGJ-ROUUACIJSA-N 1 3 395.469 3.633 20 0 GHADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001161453357 1035234226 /nfs/dbraw/zinc/23/42/26/1035234226.db2.gz DXRFUYMFMWFUGJ-ROUUACIJSA-N 1 3 395.469 3.633 20 0 GHADHO O=C([C@H]1CCC[C@H](c2ccccc2)N1)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584842 1035265765 /nfs/dbraw/zinc/26/57/65/1035265765.db2.gz QBLDFHJPNPTVKF-DHIUTWEWSA-N 1 3 389.543 3.533 20 0 GHADHO CC[C@H](C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459865 1035279841 /nfs/dbraw/zinc/27/98/41/1035279841.db2.gz APEPKRTYDAKOJI-NFBKMPQASA-N 1 3 387.568 3.888 20 0 GHADHO CC[C@H](C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459865 1035279844 /nfs/dbraw/zinc/27/98/44/1035279844.db2.gz APEPKRTYDAKOJI-NFBKMPQASA-N 1 3 387.568 3.888 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(NC[C@@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246106913 1037196100 /nfs/dbraw/zinc/19/61/00/1037196100.db2.gz QMNRVUGFEKGGOA-SYBQKDCBSA-N 1 3 378.944 3.671 20 0 GHADHO CCCC[C@@H]1C[C@H](N[C@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246266057 1037265335 /nfs/dbraw/zinc/26/53/35/1037265335.db2.gz FUFVUGCZEDRRKG-KURKYZTESA-N 1 3 398.332 3.659 20 0 GHADHO CC[C@@H]1C[C@H](N[C@H]2Cc3ccc(I)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246274227 1037271732 /nfs/dbraw/zinc/27/17/32/1037271732.db2.gz XKPABGNEXZOHOF-XWTMOSNGSA-N 1 3 398.332 3.657 20 0 GHADHO COC(=O)c1cccc2c(CNC[C@H]3CC[N@H+](Cc4ccccc4)C3)ccnc12 ZINC001462176648 1070054908 /nfs/dbraw/zinc/05/49/08/1070054908.db2.gz PUXCPLFRODEGPP-LJQANCHMSA-N 1 3 389.499 3.633 20 0 GHADHO COC(=O)c1cccc2c(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccnc12 ZINC001462176648 1070054921 /nfs/dbraw/zinc/05/49/21/1070054921.db2.gz PUXCPLFRODEGPP-LJQANCHMSA-N 1 3 389.499 3.633 20 0 GHADHO Cc1cc(C)cc([C@@H](N)[C@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3)c2cc(C)cc(C)c2)c1 ZINC001246337508 1037301139 /nfs/dbraw/zinc/30/11/39/1037301139.db2.gz VZOPEXOCCMCGKY-WNMCAHLPSA-N 1 3 393.575 3.770 20 0 GHADHO Brc1cccc(Br)c1CNC1CCC2(C[NH2+]C2)CC1 ZINC001246350276 1037310233 /nfs/dbraw/zinc/31/02/33/1037310233.db2.gz MIISSJVJACALLQ-UHFFFAOYSA-N 1 3 388.147 3.833 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H](N[C@@H]2CCN(Cc3ccccc3F)C2)CC[NH2+]1 ZINC001246362447 1037322382 /nfs/dbraw/zinc/32/23/82/1037322382.db2.gz SSAYPZQHAASCJW-MIZPHKNDSA-N 1 3 385.502 3.930 20 0 GHADHO CCOC(=O)C1CCC([NH2+]C2(Cc3ccccc3Cl)CCNCC2)CC1 ZINC001246392974 1037354186 /nfs/dbraw/zinc/35/41/86/1037354186.db2.gz QLPHFWIGLRXDFE-UHFFFAOYSA-N 1 3 378.944 3.716 20 0 GHADHO CCCC[C@H]1C[C@@H]([NH2+]C2CCN(c3nc4ccccc4n3CC)CC2)CCN1 ZINC001246407680 1037364154 /nfs/dbraw/zinc/36/41/54/1037364154.db2.gz SMFSGHGTFLZXFH-PMACEKPBSA-N 1 3 383.584 3.925 20 0 GHADHO c1ccc(C[C@H]2C[C@@H]([NH2+]Cc3ccc(OCC4CCOCC4)cc3)CCN2)cc1 ZINC001246410746 1037367670 /nfs/dbraw/zinc/36/76/70/1037367670.db2.gz LJVZHZFDDNHUFL-ZEQRLZLVSA-N 1 3 394.559 3.945 20 0 GHADHO c1ccc(C[C@@H]2C[C@@H]([NH2+]Cc3ccc(OCC4CCOCC4)cc3)CCN2)cc1 ZINC001246410743 1037367971 /nfs/dbraw/zinc/36/79/71/1037367971.db2.gz LJVZHZFDDNHUFL-BJKOFHAPSA-N 1 3 394.559 3.945 20 0 GHADHO C[C@@H]1CN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@@H](C)CN1Cc1ccccc1 ZINC001246533300 1037467478 /nfs/dbraw/zinc/46/74/78/1037467478.db2.gz MHWIQZXXBUXKGR-RRJCBXKSSA-N 1 3 377.576 3.945 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@H]1CCc3c(F)cccc3C1)CC2 ZINC001246630975 1037517833 /nfs/dbraw/zinc/51/78/33/1037517833.db2.gz MYORLAVMTMOCAR-IBGZPJMESA-N 1 3 380.507 3.829 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@H]1CCc3c(F)cccc3C1)CC2 ZINC001246630975 1037517845 /nfs/dbraw/zinc/51/78/45/1037517845.db2.gz MYORLAVMTMOCAR-IBGZPJMESA-N 1 3 380.507 3.829 20 0 GHADHO C[C@@H]1CC([N@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@@H](C)N1Cc1ccccc1 ZINC001246662427 1037533354 /nfs/dbraw/zinc/53/33/54/1037533354.db2.gz IZIDUDXXSGLTKX-ZSVMJGIMSA-N 1 3 375.560 3.999 20 0 GHADHO C[C@@H]1CC([N@@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@@H](C)N1Cc1ccccc1 ZINC001246662427 1037533361 /nfs/dbraw/zinc/53/33/61/1037533361.db2.gz IZIDUDXXSGLTKX-ZSVMJGIMSA-N 1 3 375.560 3.999 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675104 1037539537 /nfs/dbraw/zinc/53/95/37/1037539537.db2.gz VXPBOUDXBMSHLP-TZBSWOFLSA-N 1 3 392.543 3.990 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675104 1037539559 /nfs/dbraw/zinc/53/95/59/1037539559.db2.gz VXPBOUDXBMSHLP-TZBSWOFLSA-N 1 3 392.543 3.990 20 0 GHADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+]([C@@H]3CCN[C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246677543 1037543719 /nfs/dbraw/zinc/54/37/19/1037543719.db2.gz VTMFRDDFVMNVLC-RDPOXOKHSA-N 1 3 396.554 3.964 20 0 GHADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+]([C@@H]3CCN[C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246677543 1037543729 /nfs/dbraw/zinc/54/37/29/1037543729.db2.gz VTMFRDDFVMNVLC-RDPOXOKHSA-N 1 3 396.554 3.964 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246684028 1037549419 /nfs/dbraw/zinc/54/94/19/1037549419.db2.gz KLWOKELKCVHVIX-LGVFNWMJSA-N 1 3 378.516 3.816 20 0 GHADHO Brc1cccc([C@H]2CN([C@H]3CC[NH2+]C4(CCCCC4)C3)CCN2)c1 ZINC001246805533 1037640356 /nfs/dbraw/zinc/64/03/56/1037640356.db2.gz JRSKPNLZZLJWPC-RBUKOAKNSA-N 1 3 392.385 3.850 20 0 GHADHO C[C@@H]1C[C@@H](N2CCCN(CCOC(c3ccccc3)c3ccccc3)CC2)C[NH2+]1 ZINC001246839322 1037668760 /nfs/dbraw/zinc/66/87/60/1037668760.db2.gz SUBREZSPTSHJOS-ZJSXRUAMSA-N 1 3 393.575 3.551 20 0 GHADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C1)C2 ZINC001246880768 1037694778 /nfs/dbraw/zinc/69/47/78/1037694778.db2.gz RUIPMLLIHBMHMN-ISQLDUATSA-N 1 3 384.564 3.748 20 0 GHADHO Brc1ccc2c(c1)CC1(CCN([C@@H]3CC[NH2+]C4(CCC4)C3)CC1)O2 ZINC001246922415 1037727915 /nfs/dbraw/zinc/72/79/15/1037727915.db2.gz LKWRJGSVCGOLFK-QGZVFWFLSA-N 1 3 391.353 3.893 20 0 GHADHO CCOC(=O)CC1CCC([N@H+](Cc2cccc(F)c2)C2CCNCC2)CC1 ZINC001246943065 1037748551 /nfs/dbraw/zinc/74/85/51/1037748551.db2.gz PACKPGTVTHSNSA-UHFFFAOYSA-N 1 3 376.516 3.892 20 0 GHADHO CCOC(=O)CC1CCC([N@@H+](Cc2cccc(F)c2)C2CCNCC2)CC1 ZINC001246943065 1037748575 /nfs/dbraw/zinc/74/85/75/1037748575.db2.gz PACKPGTVTHSNSA-UHFFFAOYSA-N 1 3 376.516 3.892 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952820 1037759867 /nfs/dbraw/zinc/75/98/67/1037759867.db2.gz WYPANSNMKMJBFQ-LAUBAEHRSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952820 1037759885 /nfs/dbraw/zinc/75/98/85/1037759885.db2.gz WYPANSNMKMJBFQ-LAUBAEHRSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)N1CCC[C@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)CC1 ZINC001246962087 1037783249 /nfs/dbraw/zinc/78/32/49/1037783249.db2.gz SWBGSTNXQURJOV-FQEVSTJZSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)CC1 ZINC001246962087 1037783270 /nfs/dbraw/zinc/78/32/70/1037783270.db2.gz SWBGSTNXQURJOV-FQEVSTJZSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@H](N(Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001246962087 1037783285 /nfs/dbraw/zinc/78/32/85/1037783285.db2.gz SWBGSTNXQURJOV-FQEVSTJZSA-N 1 3 391.531 3.699 20 0 GHADHO Cc1nc(N)ccc1CN1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001232347168 1038127116 /nfs/dbraw/zinc/12/71/16/1038127116.db2.gz LMOITGNRVUDLJM-UHFFFAOYSA-N 1 3 394.563 3.618 20 0 GHADHO COc1cc(C)c(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001232350795 1038129072 /nfs/dbraw/zinc/12/90/72/1038129072.db2.gz JXALWNMGIHLGDV-JOCHJYFZSA-N 1 3 395.547 3.654 20 0 GHADHO COc1cc(C)c(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001232350795 1038129082 /nfs/dbraw/zinc/12/90/82/1038129082.db2.gz JXALWNMGIHLGDV-JOCHJYFZSA-N 1 3 395.547 3.654 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccc(N)nc4)CC3)CC2)c1 ZINC001232364962 1038142355 /nfs/dbraw/zinc/14/23/55/1038142355.db2.gz BPRUTPBWLMHGLA-UHFFFAOYSA-N 1 3 380.536 3.551 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4ccccc4o3)C[C@@H]21 ZINC001232557838 1038326943 /nfs/dbraw/zinc/32/69/43/1038326943.db2.gz KDKUIDKFZIEDBR-SLYNCCJLSA-N 1 3 376.504 3.955 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4ccccc4o3)C[C@@H]21 ZINC001232557838 1038326951 /nfs/dbraw/zinc/32/69/51/1038326951.db2.gz KDKUIDKFZIEDBR-SLYNCCJLSA-N 1 3 376.504 3.955 20 0 GHADHO C[NH+]1CCC(C2CCN(Cc3cccc(NC(=O)OC(C)(C)C)n3)CC2)CC1 ZINC001232602306 1038382626 /nfs/dbraw/zinc/38/26/26/1038382626.db2.gz BWHLNYKDUGRSLR-UHFFFAOYSA-N 1 3 388.556 3.982 20 0 GHADHO c1[nH]c2ncncc2c1CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001232658726 1038448991 /nfs/dbraw/zinc/44/89/91/1038448991.db2.gz LBCJOJZSEMJDSR-UHFFFAOYSA-N 1 3 375.520 3.788 20 0 GHADHO CC(C)(O)c1ccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC001232829511 1038582024 /nfs/dbraw/zinc/58/20/24/1038582024.db2.gz MIAWMPVXMHTADX-UHFFFAOYSA-N 1 3 379.548 3.797 20 0 GHADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3cc(Cl)ccn3)C[C@H]2CC1 ZINC001278654272 1038912244 /nfs/dbraw/zinc/91/22/44/1038912244.db2.gz LJCBEBDSCCWSGX-IYBDPMFKSA-N 1 3 376.957 3.844 20 0 GHADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)ccn3)C[C@H]2CC1 ZINC001278654272 1038912251 /nfs/dbraw/zinc/91/22/51/1038912251.db2.gz LJCBEBDSCCWSGX-IYBDPMFKSA-N 1 3 376.957 3.844 20 0 GHADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H](O)COCc1ccccc1)CC2 ZINC001252279961 1038921537 /nfs/dbraw/zinc/92/15/37/1038921537.db2.gz HEXPGVMEZBQETP-FYYLOGMGSA-N 1 3 398.547 3.534 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1csc2ccccc21 ZINC001252931020 1039268498 /nfs/dbraw/zinc/26/84/98/1039268498.db2.gz GFSPKTXSOUWBBQ-JKSUJKDBSA-N 1 3 376.570 3.534 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1csc2ccccc21 ZINC001252931020 1039268509 /nfs/dbraw/zinc/26/85/09/1039268509.db2.gz GFSPKTXSOUWBBQ-JKSUJKDBSA-N 1 3 376.570 3.534 20 0 GHADHO Cc1ccccc1OC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254029217 1039963196 /nfs/dbraw/zinc/96/31/96/1039963196.db2.gz BGKUBBYTRJMMHD-UHFFFAOYSA-N 1 3 394.559 3.865 20 0 GHADHO COc1ccc([C@H]2CCC[N@@H+]2CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001254036760 1039967890 /nfs/dbraw/zinc/96/78/90/1039967890.db2.gz KWLBYNJKPXQLDJ-HSZRJFAPSA-N 1 3 380.532 3.859 20 0 GHADHO COc1ccc([C@H]2CCC[N@H+]2CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001254036760 1039967894 /nfs/dbraw/zinc/96/78/94/1039967894.db2.gz KWLBYNJKPXQLDJ-HSZRJFAPSA-N 1 3 380.532 3.859 20 0 GHADHO COc1ccccc1C1([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCC1 ZINC001254053797 1039977432 /nfs/dbraw/zinc/97/74/32/1039977432.db2.gz XURMHCPJHYDBIZ-UHFFFAOYSA-N 1 3 380.532 3.691 20 0 GHADHO C[C@@H](CN(C)C)Oc1cccc2c1[C@@]13CC[N@H+](CC4CC4)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC001234709635 1040241782 /nfs/dbraw/zinc/24/17/82/1040241782.db2.gz NHTYIKZMSLWPNX-MKHKVULQSA-N 1 3 396.575 3.663 20 0 GHADHO C[C@@H](CN(C)C)Oc1cccc2c1[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC001234709635 1040241799 /nfs/dbraw/zinc/24/17/99/1040241799.db2.gz NHTYIKZMSLWPNX-MKHKVULQSA-N 1 3 396.575 3.663 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001462459250 1070268907 /nfs/dbraw/zinc/26/89/07/1070268907.db2.gz SIWIGZRRFOODGW-HSZRJFAPSA-N 1 3 395.547 3.900 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001462459250 1070268917 /nfs/dbraw/zinc/26/89/17/1070268917.db2.gz SIWIGZRRFOODGW-HSZRJFAPSA-N 1 3 395.547 3.900 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]2C1 ZINC001254754821 1040515085 /nfs/dbraw/zinc/51/50/85/1040515085.db2.gz NWIDBMZIBVFMDM-AQNXPRMDSA-N 1 3 391.600 3.830 20 0 GHADHO C[NH+](C)CC[C@H](N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccccc1 ZINC001254887337 1040636610 /nfs/dbraw/zinc/63/66/10/1040636610.db2.gz PRGPWVZBHOAHLF-BQJUDKOJSA-N 1 3 387.568 3.915 20 0 GHADHO CC(C)Oc1cc(CN2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)cn1 ZINC001235156201 1040647686 /nfs/dbraw/zinc/64/76/86/1040647686.db2.gz NBWAQRRXUBKNJO-SFHVURJKSA-N 1 3 396.373 3.985 20 0 GHADHO COc1ccc(Br)c(OC)c1CN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156208 1040648126 /nfs/dbraw/zinc/64/81/26/1040648126.db2.gz NEBBKUKZGZPJRB-QGZVFWFLSA-N 1 3 397.357 3.820 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895420 1040650390 /nfs/dbraw/zinc/65/03/90/1040650390.db2.gz VCVUQVKCWLQTDB-AYWYSENESA-N 1 3 387.568 3.729 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895420 1040650394 /nfs/dbraw/zinc/65/03/94/1040650394.db2.gz VCVUQVKCWLQTDB-AYWYSENESA-N 1 3 387.568 3.729 20 0 GHADHO Clc1ccc(-c2ccccc2CN2CCCO[C@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235200640 1040688161 /nfs/dbraw/zinc/68/81/61/1040688161.db2.gz ODVMEYBFFYHAFR-JOCHJYFZSA-N 1 3 386.923 3.588 20 0 GHADHO O[C@@H]1CCN([C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255073870 1040766773 /nfs/dbraw/zinc/76/67/73/1040766773.db2.gz IMPKAAFBDGDUED-ZYQDXHPFSA-N 1 3 376.544 3.818 20 0 GHADHO O[C@@H]1CCN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255073870 1040766784 /nfs/dbraw/zinc/76/67/84/1040766784.db2.gz IMPKAAFBDGDUED-ZYQDXHPFSA-N 1 3 376.544 3.818 20 0 GHADHO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1CN1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235339306 1040808749 /nfs/dbraw/zinc/80/87/49/1040808749.db2.gz FPFFBMHZFNZYSD-SNVBAGLBSA-N 1 3 382.348 3.774 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(OC4COC4)cc2)C3)cc1 ZINC001255127202 1040820105 /nfs/dbraw/zinc/82/01/05/1040820105.db2.gz SBGMTXDBPSIVGI-KOUNCHBCSA-N 1 3 378.516 3.749 20 0 GHADHO CN(C)c1ccc(Br)cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431206 1040932440 /nfs/dbraw/zinc/93/24/40/1040932440.db2.gz YNOQRMMKHTXZCT-HZPDHXFCSA-N 1 3 380.374 3.727 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)oc2c1 ZINC001235431304 1040933349 /nfs/dbraw/zinc/93/33/49/1040933349.db2.gz NJGKNTGMHVZMIK-ZIAGYGMSSA-N 1 3 378.314 3.802 20 0 GHADHO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001255376968 1040968716 /nfs/dbraw/zinc/96/87/16/1040968716.db2.gz DFWOZYQXUYMLAM-RXVVDRJESA-N 1 3 386.561 3.795 20 0 GHADHO c1ccc(CN2CCC[C@H]([NH2+]Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC001255384278 1040973892 /nfs/dbraw/zinc/97/38/92/1040973892.db2.gz XEQMGOAOUXHONA-VWLOTQADSA-N 1 3 393.575 3.663 20 0 GHADHO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+]([C@@H]4CCCN(Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401077 1040987200 /nfs/dbraw/zinc/98/72/00/1040987200.db2.gz QXCOSPVQEZIKTE-LNRXMEIDSA-N 1 3 396.535 3.585 20 0 GHADHO Cc1noc([C@@H]2C[C@@H]3CC[N@H+]([C@@H]4CCCN(Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401077 1040987201 /nfs/dbraw/zinc/98/72/01/1040987201.db2.gz QXCOSPVQEZIKTE-LNRXMEIDSA-N 1 3 396.535 3.585 20 0 GHADHO c1cc(-c2ccc3c(C4CN(Cc5ccc6c(c5)C[NH2+]CC6)C4)ncn3c2)co1 ZINC001235656257 1041103051 /nfs/dbraw/zinc/10/30/51/1041103051.db2.gz COJSBNXHYODERH-UHFFFAOYSA-N 1 3 384.483 3.839 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001235688063 1041158632 /nfs/dbraw/zinc/15/86/32/1041158632.db2.gz MHVZPVMJIXQNKK-GOSISDBHSA-N 1 3 375.513 3.711 20 0 GHADHO C[C@H](CSc1ccc(F)cc1)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001255727423 1041251725 /nfs/dbraw/zinc/25/17/25/1041251725.db2.gz DEDGNKPNPRLEKP-GOSISDBHSA-N 1 3 387.568 3.844 20 0 GHADHO C[NH+](C)CC1(CN2CCN[C@@H](c3cccc(Br)c3)C2)CCCC1 ZINC001235795772 1041296813 /nfs/dbraw/zinc/29/68/13/1041296813.db2.gz QBQOZTDKRSBFKJ-GOSISDBHSA-N 1 3 380.374 3.517 20 0 GHADHO Clc1cc(CN2CCC([NH+]3CCNCC3)CC2)ccc1OCc1ccccc1 ZINC001236128878 1041556478 /nfs/dbraw/zinc/55/64/78/1041556478.db2.gz PMSDXDDWKITRIU-UHFFFAOYSA-N 1 3 399.966 3.789 20 0 GHADHO C[C@@H]1CNCC(F)(F)[C@H]1C[NH+]1CCC(N(C)Cc2ccc(Cl)cc2)CC1 ZINC001236214324 1041624413 /nfs/dbraw/zinc/62/44/13/1041624413.db2.gz SKVIHUDKYZDYDS-BEFAXECRSA-N 1 3 385.930 3.727 20 0 GHADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214324 1041624430 /nfs/dbraw/zinc/62/44/30/1041624430.db2.gz SKVIHUDKYZDYDS-BEFAXECRSA-N 1 3 385.930 3.727 20 0 GHADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214324 1041624435 /nfs/dbraw/zinc/62/44/35/1041624435.db2.gz SKVIHUDKYZDYDS-BEFAXECRSA-N 1 3 385.930 3.727 20 0 GHADHO COC1CCN(C2CC[NH+](C3CCN(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC001256314428 1041698957 /nfs/dbraw/zinc/69/89/57/1041698957.db2.gz ZLMVQDKUMBNDLV-UHFFFAOYSA-N 1 3 391.987 3.884 20 0 GHADHO COC(=O)[C@H]1CC[C@H](C[N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001236481566 1041734434 /nfs/dbraw/zinc/73/44/34/1041734434.db2.gz XEWOTTQDYQOBBT-UAPYVXQJSA-N 1 3 376.516 3.668 20 0 GHADHO COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001236481566 1041734438 /nfs/dbraw/zinc/73/44/38/1041734438.db2.gz XEWOTTQDYQOBBT-UAPYVXQJSA-N 1 3 376.516 3.668 20 0 GHADHO COC(=O)[C@H]1CC[C@H](CN(Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001236481566 1041734443 /nfs/dbraw/zinc/73/44/43/1041734443.db2.gz XEWOTTQDYQOBBT-UAPYVXQJSA-N 1 3 376.516 3.668 20 0 GHADHO CCOc1cc(CN(CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236554619 1041760586 /nfs/dbraw/zinc/76/05/86/1041760586.db2.gz NKPGOEGZNXKJKB-WKILWMFISA-N 1 3 384.362 3.971 20 0 GHADHO CNc1nc(SC)ncc1CN(Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236722423 1041856377 /nfs/dbraw/zinc/85/63/77/1041856377.db2.gz IILJALYFLZCEGC-WGSAOQKQSA-N 1 3 385.581 3.821 20 0 GHADHO CCOc1cncc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001236839033 1041924105 /nfs/dbraw/zinc/92/41/05/1041924105.db2.gz PYVPXRFSIQAMNU-JOCHJYFZSA-N 1 3 395.547 3.736 20 0 GHADHO CCOc1cncc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001236839033 1041924108 /nfs/dbraw/zinc/92/41/08/1041924108.db2.gz PYVPXRFSIQAMNU-JOCHJYFZSA-N 1 3 395.547 3.736 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC001237424637 1042201117 /nfs/dbraw/zinc/20/11/17/1042201117.db2.gz IAXQDFRIEMCHIW-AUSIDOKSSA-N 1 3 383.511 3.554 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC001237424637 1042201120 /nfs/dbraw/zinc/20/11/20/1042201120.db2.gz IAXQDFRIEMCHIW-AUSIDOKSSA-N 1 3 383.511 3.554 20 0 GHADHO COC(=O)Cc1cccc(C[NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)c1 ZINC001237480376 1042227358 /nfs/dbraw/zinc/22/73/58/1042227358.db2.gz KNACGIWDXYLCFZ-JOCHJYFZSA-N 1 3 396.531 3.872 20 0 GHADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc3c(c2)C(C(C)C)=NCC3)CC1 ZINC001237887981 1042410804 /nfs/dbraw/zinc/41/08/04/1042410804.db2.gz XZSMTPKWIQBIGG-JOCHJYFZSA-N 1 3 383.580 3.763 20 0 GHADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc3c(c2)C(C(C)C)=NCC3)CC1 ZINC001237887981 1042410805 /nfs/dbraw/zinc/41/08/05/1042410805.db2.gz XZSMTPKWIQBIGG-JOCHJYFZSA-N 1 3 383.580 3.763 20 0 GHADHO Cc1ccc(-c2nc(CN3CCN(CC4CC[NH+](C)CC4)CC3)cs2)cc1 ZINC001238042386 1042470394 /nfs/dbraw/zinc/47/03/94/1042470394.db2.gz LBGOHCJZCLOBLF-UHFFFAOYSA-N 1 3 384.593 3.578 20 0 GHADHO COc1cnc(F)c(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001238117037 1042496818 /nfs/dbraw/zinc/49/68/18/1042496818.db2.gz LJEWDKSIRYKBBS-UHFFFAOYSA-N 1 3 384.499 3.501 20 0 GHADHO COc1cnc(F)c(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001238117037 1042496823 /nfs/dbraw/zinc/49/68/23/1042496823.db2.gz LJEWDKSIRYKBBS-UHFFFAOYSA-N 1 3 384.499 3.501 20 0 GHADHO CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)[NH+](CC)CC ZINC001291616942 1043360305 /nfs/dbraw/zinc/36/03/05/1043360305.db2.gz MTCHWEBMBFEXGB-MOPGFXCFSA-N 1 3 390.620 3.587 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256522830 1043448250 /nfs/dbraw/zinc/44/82/50/1043448250.db2.gz KDVGHYNUHSDHSK-WMZHIEFXSA-N 1 3 380.532 3.935 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256522830 1043448258 /nfs/dbraw/zinc/44/82/58/1043448258.db2.gz KDVGHYNUHSDHSK-WMZHIEFXSA-N 1 3 380.532 3.935 20 0 GHADHO C[C@H]1C[C@H](NCCc2nc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001256523368 1043451223 /nfs/dbraw/zinc/45/12/23/1043451223.db2.gz OMXVKBUHSSQUAO-GHTZIAJQSA-N 1 3 376.504 3.922 20 0 GHADHO C[C@H]1C[C@H](NCCc2nc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001256523368 1043451237 /nfs/dbraw/zinc/45/12/37/1043451237.db2.gz OMXVKBUHSSQUAO-GHTZIAJQSA-N 1 3 376.504 3.922 20 0 GHADHO C[C@H]1C[C@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256528870 1043457892 /nfs/dbraw/zinc/45/78/92/1043457892.db2.gz NDCTXUFYXQQNFG-ASLXYRGWSA-N 1 3 377.532 3.649 20 0 GHADHO C[C@H]1C[C@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256528870 1043457900 /nfs/dbraw/zinc/45/79/00/1043457900.db2.gz NDCTXUFYXQQNFG-ASLXYRGWSA-N 1 3 377.532 3.649 20 0 GHADHO Cc1cccnc1N1CCCN([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550872 1043513819 /nfs/dbraw/zinc/51/38/19/1043513819.db2.gz NXZKEVVKHGRVBP-GGAORHGYSA-N 1 3 378.564 3.955 20 0 GHADHO Cc1cccnc1N1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550872 1043513826 /nfs/dbraw/zinc/51/38/26/1043513826.db2.gz NXZKEVVKHGRVBP-GGAORHGYSA-N 1 3 378.564 3.955 20 0 GHADHO CC(C)(C)N1CCC([N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC1 ZINC001256573698 1043546454 /nfs/dbraw/zinc/54/64/54/1043546454.db2.gz QULDXPKARODHLY-UHFFFAOYSA-N 1 3 382.527 3.946 20 0 GHADHO CC(C)(C)N1CCC([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC1 ZINC001256573698 1043546457 /nfs/dbraw/zinc/54/64/57/1043546457.db2.gz QULDXPKARODHLY-UHFFFAOYSA-N 1 3 382.527 3.946 20 0 GHADHO Fc1cccc([C@@H](CC2CCOCC2)[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256685771 1043620950 /nfs/dbraw/zinc/62/09/50/1043620950.db2.gz GJYJMNQVOCZQQY-XPPIMPSXSA-N 1 3 390.543 3.917 20 0 GHADHO C[N@H+](Cc1cccc(Br)c1F)C1CCC(N2CCOCC2)CC1 ZINC001256698123 1043629369 /nfs/dbraw/zinc/62/93/69/1043629369.db2.gz LXOCLVWWLBQCEH-UHFFFAOYSA-N 1 3 385.321 3.663 20 0 GHADHO C[N@@H+](Cc1cccc(Br)c1F)C1CCC(N2CCOCC2)CC1 ZINC001256698123 1043629373 /nfs/dbraw/zinc/62/93/73/1043629373.db2.gz LXOCLVWWLBQCEH-UHFFFAOYSA-N 1 3 385.321 3.663 20 0 GHADHO COc1cccc(CC2([NH3+])CCN([C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)c1 ZINC001256801165 1043659509 /nfs/dbraw/zinc/65/95/09/1043659509.db2.gz ROKXTMSGKLCVOH-FYYLOGMGSA-N 1 3 380.532 3.951 20 0 GHADHO O=C1CC2(CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)Oc2ccccc21 ZINC001256860760 1043708139 /nfs/dbraw/zinc/70/81/39/1043708139.db2.gz HYKQZNPSEYJCKB-UHFFFAOYSA-N 1 3 377.488 3.550 20 0 GHADHO C[C@@H]1[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC001292465163 1043748142 /nfs/dbraw/zinc/74/81/42/1043748142.db2.gz ZQOYCFNIUUBHEQ-NVXWUHKLSA-N 1 3 398.378 3.758 20 0 GHADHO C[C@@H]1[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC001292465163 1043748151 /nfs/dbraw/zinc/74/81/51/1043748151.db2.gz ZQOYCFNIUUBHEQ-NVXWUHKLSA-N 1 3 398.378 3.758 20 0 GHADHO OC1(Cc2ccccc2)CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258140957 1044427498 /nfs/dbraw/zinc/42/74/98/1044427498.db2.gz PKMIBKQRIPZVHK-UHFFFAOYSA-N 1 3 378.560 3.763 20 0 GHADHO O=C(c1ccccc1)N1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)CC1 ZINC001258148550 1044439113 /nfs/dbraw/zinc/43/91/13/1044439113.db2.gz NBVLZNBOPJEPDI-UHFFFAOYSA-N 1 3 391.559 3.542 20 0 GHADHO O=C(c1ccccc1)N1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)CC1 ZINC001258148550 1044439119 /nfs/dbraw/zinc/43/91/19/1044439119.db2.gz NBVLZNBOPJEPDI-UHFFFAOYSA-N 1 3 391.559 3.542 20 0 GHADHO C[C@H](Cc1cccnc1)[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001258624139 1044673035 /nfs/dbraw/zinc/67/30/35/1044673035.db2.gz DXPWKOXFNMLTAI-OFNKIYASSA-N 1 3 379.548 3.768 20 0 GHADHO CCC[NH+]1CCC(NC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC001258770116 1044755114 /nfs/dbraw/zinc/75/51/14/1044755114.db2.gz SVVSUBYGTFAALG-UHFFFAOYSA-N 1 3 381.358 3.919 20 0 GHADHO CCCN1CCC([NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)CC1 ZINC001258773113 1044760150 /nfs/dbraw/zinc/76/01/50/1044760150.db2.gz FQBMKESQHGVMLH-UHFFFAOYSA-N 1 3 387.612 3.922 20 0 GHADHO COc1cc(C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H](C)CN)cc(OC)c1OC ZINC001258861512 1044800647 /nfs/dbraw/zinc/80/06/47/1044800647.db2.gz GBWXTTIJJFMTFX-ZWKOTPCHSA-N 1 3 386.536 3.740 20 0 GHADHO COc1cc(C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H](C)CN)cc(OC)c1OC ZINC001258861512 1044800672 /nfs/dbraw/zinc/80/06/72/1044800672.db2.gz GBWXTTIJJFMTFX-ZWKOTPCHSA-N 1 3 386.536 3.740 20 0 GHADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC001294967573 1044855944 /nfs/dbraw/zinc/85/59/44/1044855944.db2.gz UGLQEJAQGRXQBC-BWKHYTDRSA-N 1 3 383.580 3.522 20 0 GHADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC001294967573 1044855964 /nfs/dbraw/zinc/85/59/64/1044855964.db2.gz UGLQEJAQGRXQBC-BWKHYTDRSA-N 1 3 383.580 3.522 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[C@@H]1C ZINC000483778456 1045329165 /nfs/dbraw/zinc/32/91/65/1045329165.db2.gz WDJJKAQKJZNEOS-BVSLBCMMSA-N 1 3 386.584 3.555 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[C@@H]1C ZINC000483778456 1045329171 /nfs/dbraw/zinc/32/91/71/1045329171.db2.gz WDJJKAQKJZNEOS-BVSLBCMMSA-N 1 3 386.584 3.555 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000584040770 1046649195 /nfs/dbraw/zinc/64/91/95/1046649195.db2.gz HYJNNTVRULYFHT-NRFANRHFSA-N 1 3 392.503 3.732 20 0 GHADHO CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC001302063989 1046798023 /nfs/dbraw/zinc/79/80/23/1046798023.db2.gz ROJNBPLQCDOULK-HXUWFJFHSA-N 1 3 385.596 3.662 20 0 GHADHO Brc1cnccc1CN1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279405742 1047796411 /nfs/dbraw/zinc/79/64/11/1047796411.db2.gz OUSPMBCMEFILGA-IYBDPMFKSA-N 1 3 389.341 3.516 20 0 GHADHO Brc1cnccc1CN1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279405742 1047796414 /nfs/dbraw/zinc/79/64/14/1047796414.db2.gz OUSPMBCMEFILGA-IYBDPMFKSA-N 1 3 389.341 3.516 20 0 GHADHO Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(CN(C)C)CCCC1 ZINC001279493213 1047823875 /nfs/dbraw/zinc/82/38/75/1047823875.db2.gz YWMFQSHJIQKSIZ-YQQQUEKLSA-N 1 3 376.614 3.659 20 0 GHADHO Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(CN(C)C)CCCC1 ZINC001279493213 1047823883 /nfs/dbraw/zinc/82/38/83/1047823883.db2.gz YWMFQSHJIQKSIZ-YQQQUEKLSA-N 1 3 376.614 3.659 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001307670796 1049492275 /nfs/dbraw/zinc/49/22/75/1049492275.db2.gz UDTLZNYBTQAYEV-CADBVGFASA-N 1 3 379.589 3.922 20 0 GHADHO C[C@H]1CN(C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308039096 1049789700 /nfs/dbraw/zinc/78/97/00/1049789700.db2.gz CVAYOBCPBLTDTQ-OALUTQOASA-N 1 3 388.556 3.629 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+]CC2(CCOC)CCCCC2)CC1 ZINC001308202897 1049911352 /nfs/dbraw/zinc/91/13/52/1049911352.db2.gz MHNXMRHOUJXEOK-UHFFFAOYSA-N 1 3 387.612 3.901 20 0 GHADHO Cc1cccc(C(=O)N2CCC([NH2+][C@H](C)[C@H]3CCCN(C4CCC4)C3)CC2)c1 ZINC001308681418 1050057637 /nfs/dbraw/zinc/05/76/37/1050057637.db2.gz QZBFFVHDORCWGO-CTNGQTDRSA-N 1 3 383.580 3.842 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H](C)N2CCCCC2)C[C@@H]1C(F)(F)F ZINC001308686153 1050059565 /nfs/dbraw/zinc/05/95/65/1050059565.db2.gz YSZSVAXYIWFXQR-NXOAAHMSSA-N 1 3 378.479 3.751 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC001308896589 1050145674 /nfs/dbraw/zinc/14/56/74/1050145674.db2.gz CJBBNXHWZLKVOS-QUCCMNQESA-N 1 3 399.579 3.744 20 0 GHADHO Cc1ccc(-c2ncccc2NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC001310575533 1051459418 /nfs/dbraw/zinc/45/94/18/1051459418.db2.gz XNJWKWQNFJMNRO-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO Cc1ccc(-c2ncccc2NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC001310575533 1051459425 /nfs/dbraw/zinc/45/94/25/1051459425.db2.gz XNJWKWQNFJMNRO-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1O2 ZINC001335345209 1052080151 /nfs/dbraw/zinc/08/01/51/1052080151.db2.gz JKCJLGIAQNJZAD-VQTJNVASSA-N 1 3 388.458 3.576 20 0 GHADHO O[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1C(F)(F)F ZINC001335399881 1052091029 /nfs/dbraw/zinc/09/10/29/1052091029.db2.gz JWOZQETUIZQLRO-HXUWFJFHSA-N 1 3 393.453 3.636 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001311711577 1052348067 /nfs/dbraw/zinc/34/80/67/1052348067.db2.gz CRKAEKRSIJPRLX-KAGYGMCKSA-N 1 3 384.568 3.528 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001311711577 1052348071 /nfs/dbraw/zinc/34/80/71/1052348071.db2.gz CRKAEKRSIJPRLX-KAGYGMCKSA-N 1 3 384.568 3.528 20 0 GHADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001312818727 1052881768 /nfs/dbraw/zinc/88/17/68/1052881768.db2.gz ODJDSOMIXJKPDO-IFMALSPDSA-N 1 3 388.600 3.519 20 0 GHADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001312818727 1052881773 /nfs/dbraw/zinc/88/17/73/1052881773.db2.gz ODJDSOMIXJKPDO-IFMALSPDSA-N 1 3 388.600 3.519 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001312998104 1052929837 /nfs/dbraw/zinc/92/98/37/1052929837.db2.gz GEXXIWJHHJWHMU-VSKRKVRLSA-N 1 3 398.595 3.555 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001312998104 1052929839 /nfs/dbraw/zinc/92/98/39/1052929839.db2.gz GEXXIWJHHJWHMU-VSKRKVRLSA-N 1 3 398.595 3.555 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1)CC(C)C ZINC001313000362 1052930515 /nfs/dbraw/zinc/93/05/15/1052930515.db2.gz UKBVHZCMWVKQPG-FQEVSTJZSA-N 1 3 380.621 3.649 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1)CC(C)C ZINC001313000362 1052930520 /nfs/dbraw/zinc/93/05/20/1052930520.db2.gz UKBVHZCMWVKQPG-FQEVSTJZSA-N 1 3 380.621 3.649 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001342867739 1053398380 /nfs/dbraw/zinc/39/83/80/1053398380.db2.gz PMFMIDXNNCITHT-QHCPKHFHSA-N 1 3 389.543 3.835 20 0 GHADHO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC001319776068 1055460323 /nfs/dbraw/zinc/46/03/23/1055460323.db2.gz GCXOTOORWMNNGO-FQEVSTJZSA-N 1 3 379.548 3.541 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC001320432704 1055802210 /nfs/dbraw/zinc/80/22/10/1055802210.db2.gz IIJKGIGPDKSHJR-QFIPXVFZSA-N 1 3 388.600 3.659 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC001320432702 1055803001 /nfs/dbraw/zinc/80/30/01/1055803001.db2.gz IIJKGIGPDKSHJR-JOCHJYFZSA-N 1 3 388.600 3.659 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001320999406 1056051643 /nfs/dbraw/zinc/05/16/43/1056051643.db2.gz KFWMVJFLJZBZHV-XMMPIXPASA-N 1 3 393.575 3.955 20 0 GHADHO CS(=O)(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001324159586 1057081522 /nfs/dbraw/zinc/08/15/22/1057081522.db2.gz VGDBEFLEWOILPP-FRIKZZABSA-N 1 3 398.572 3.765 20 0 GHADHO CCCN(C(=O)c1ccc(CC[NH3+])cc1)C1CCN(Cc2ccccc2)CC1 ZINC001355452561 1057166165 /nfs/dbraw/zinc/16/61/65/1057166165.db2.gz QUNHUJBWWSWXCZ-UHFFFAOYSA-N 1 3 379.548 3.705 20 0 GHADHO CCc1ccc(NC(=[NH2+])NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000849058719 1057570273 /nfs/dbraw/zinc/57/02/73/1057570273.db2.gz PFFCKVHPYVTFPZ-JOCHJYFZSA-N 1 3 379.552 3.564 20 0 GHADHO [NH2+]=C(NCc1ncc(-c2ccccc2)o1)NC1CCN(Cc2ccccc2)CC1 ZINC000849069175 1057580319 /nfs/dbraw/zinc/58/03/19/1057580319.db2.gz SJTRPLNBPOBXAY-UHFFFAOYSA-N 1 3 389.503 3.620 20 0 GHADHO CC(C)(C)[C@H]1OCCC[C@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849091430 1057590803 /nfs/dbraw/zinc/59/08/03/1057590803.db2.gz FXOHRELJEWURDP-FPOVZHCZSA-N 1 3 386.584 3.606 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)Cc1ccccc1 ZINC001440747717 1058608448 /nfs/dbraw/zinc/60/84/48/1058608448.db2.gz RCSPVUMKNRGAKP-QFIPXVFZSA-N 1 3 392.547 3.974 20 0 GHADHO C[C@@H](C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001454545329 1061829509 /nfs/dbraw/zinc/82/95/09/1061829509.db2.gz ZRJRFQLIFUGGRJ-KRXQYRFLSA-N 1 3 385.474 3.686 20 0 GHADHO C[C@@H](C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001454545329 1061829534 /nfs/dbraw/zinc/82/95/34/1061829534.db2.gz ZRJRFQLIFUGGRJ-KRXQYRFLSA-N 1 3 385.474 3.686 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccc(Cl)cc3)cc2)C1 ZINC001346845547 1061934672 /nfs/dbraw/zinc/93/46/72/1061934672.db2.gz AAMVZIBKISBZLN-OAQYLSRUSA-N 1 3 396.922 3.587 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccc(Cl)cc3)cc2)C1 ZINC001346845547 1061934674 /nfs/dbraw/zinc/93/46/74/1061934674.db2.gz AAMVZIBKISBZLN-OAQYLSRUSA-N 1 3 396.922 3.587 20 0 GHADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001477615110 1078492885 /nfs/dbraw/zinc/49/28/85/1078492885.db2.gz KRFYWGVIWVCNBL-RBBKRZOGSA-N 1 3 386.584 3.729 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)CC(C)C ZINC001467951155 1067542977 /nfs/dbraw/zinc/54/29/77/1067542977.db2.gz VMTCZLXOTMSQNJ-BVSLBCMMSA-N 1 3 388.600 3.563 20 0 GHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001468344262 1067694775 /nfs/dbraw/zinc/69/47/75/1067694775.db2.gz CVRSFSHXBIGXAR-QFIPXVFZSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000849104479 1067730199 /nfs/dbraw/zinc/73/01/99/1067730199.db2.gz QPHGDEIWKOEKCW-QFIPXVFZSA-N 1 3 396.535 3.701 20 0 GHADHO C[N@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@H](CO)Cc1ccccc1 ZINC001460416920 1068958262 /nfs/dbraw/zinc/95/82/62/1068958262.db2.gz JRGQPYXGBZBVCE-VWLOTQADSA-N 1 3 380.576 3.867 20 0 GHADHO C[N@@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@H](CO)Cc1ccccc1 ZINC001460416920 1068958269 /nfs/dbraw/zinc/95/82/69/1068958269.db2.gz JRGQPYXGBZBVCE-VWLOTQADSA-N 1 3 380.576 3.867 20 0 GHADHO CN(C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001478538954 1078910161 /nfs/dbraw/zinc/91/01/61/1078910161.db2.gz WDBRNMLFNOKOJT-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001478538954 1078910164 /nfs/dbraw/zinc/91/01/64/1078910164.db2.gz WDBRNMLFNOKOJT-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001478984090 1079051328 /nfs/dbraw/zinc/05/13/28/1079051328.db2.gz IYPICPIRWRISPQ-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001478984090 1079051334 /nfs/dbraw/zinc/05/13/34/1079051334.db2.gz IYPICPIRWRISPQ-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001472631351 1073587084 /nfs/dbraw/zinc/58/70/84/1073587084.db2.gz VCSQVFUGEUBURA-QFIPXVFZSA-N 1 3 379.548 3.746 20 0 GHADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001472631351 1073587093 /nfs/dbraw/zinc/58/70/93/1073587093.db2.gz VCSQVFUGEUBURA-QFIPXVFZSA-N 1 3 379.548 3.746 20 0 GHADHO CCOc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1OCC(C)C ZINC001474068470 1074253250 /nfs/dbraw/zinc/25/32/50/1074253250.db2.gz XUUMANJTLANMSW-RTWAWAEBSA-N 1 3 390.568 3.588 20 0 GHADHO C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824578314 609136955 /nfs/dbraw/zinc/13/69/55/609136955.db2.gz SJODINOUWPRWRJ-INIZCTEOSA-N 1 3 394.498 3.569 20 0 GHADHO C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824578314 609136957 /nfs/dbraw/zinc/13/69/57/609136957.db2.gz SJODINOUWPRWRJ-INIZCTEOSA-N 1 3 394.498 3.569 20 0 GHADHO Cc1cccc(N(c2ccc(CN(C)C3CC3)cn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164776073 721329735 /nfs/dbraw/zinc/32/97/35/721329735.db2.gz COKWDYTYZWBGQA-ISKFKSNPSA-N 1 3 392.547 3.643 20 0 GHADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414106986 837574292 /nfs/dbraw/zinc/57/42/92/837574292.db2.gz RLGMXCJJIVCLAM-UFYCRDLUSA-N 1 3 396.579 3.689 20 0 GHADHO CC[C@@H]1c2ccccc2CCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654792618 834570163 /nfs/dbraw/zinc/57/01/63/834570163.db2.gz VXGBNLLMRLVKLJ-HSZRJFAPSA-N 1 3 383.580 3.719 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OCCC(C)C ZINC000650723370 834701855 /nfs/dbraw/zinc/70/18/55/834701855.db2.gz MUWAMHWYFARQPM-KCZVDYSFSA-N 1 3 390.568 3.981 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000650723746 834705009 /nfs/dbraw/zinc/70/50/09/834705009.db2.gz STTDGYPSOFNXQH-KYJSFNMBSA-N 1 3 390.421 3.628 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C(F)F)nc1 ZINC000657873356 834859611 /nfs/dbraw/zinc/85/96/11/834859611.db2.gz MASBJKBEGRASSW-HNNXBMFYSA-N 1 3 375.463 3.827 20 0 GHADHO CC1CCN([C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)c2cccs2)CC1 ZINC000431570849 834932611 /nfs/dbraw/zinc/93/26/11/834932611.db2.gz MTYZUVUFEPPDGB-RTBURBONSA-N 1 3 377.598 3.902 20 0 GHADHO CC1CCN([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000431570849 834932619 /nfs/dbraw/zinc/93/26/19/834932619.db2.gz MTYZUVUFEPPDGB-RTBURBONSA-N 1 3 377.598 3.902 20 0 GHADHO CCSc1cccc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000583882045 835190623 /nfs/dbraw/zinc/19/06/23/835190623.db2.gz SSUWFHODZPJGHU-UHFFFAOYSA-N 1 3 389.609 3.611 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142662 835453887 /nfs/dbraw/zinc/45/38/87/835453887.db2.gz VZLBLFNSUGQRDQ-IFMALSPDSA-N 1 3 378.516 3.789 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142662 835453891 /nfs/dbraw/zinc/45/38/91/835453891.db2.gz VZLBLFNSUGQRDQ-IFMALSPDSA-N 1 3 378.516 3.789 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142673 835453931 /nfs/dbraw/zinc/45/39/31/835453931.db2.gz VZLBLFNSUGQRDQ-UNMCSNQZSA-N 1 3 378.516 3.789 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142673 835453934 /nfs/dbraw/zinc/45/39/34/835453934.db2.gz VZLBLFNSUGQRDQ-UNMCSNQZSA-N 1 3 378.516 3.789 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142667 835454010 /nfs/dbraw/zinc/45/40/10/835454010.db2.gz VZLBLFNSUGQRDQ-IRLDBZIGSA-N 1 3 378.516 3.789 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142667 835454013 /nfs/dbraw/zinc/45/40/13/835454013.db2.gz VZLBLFNSUGQRDQ-IRLDBZIGSA-N 1 3 378.516 3.789 20 0 GHADHO Brc1ccn2cc(CNCCCCC[NH+]3CCCCC3)nc2c1 ZINC000584023503 835459995 /nfs/dbraw/zinc/45/99/95/835459995.db2.gz QOJZKOCVHHEVKW-UHFFFAOYSA-N 1 3 379.346 3.843 20 0 GHADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167260 835482941 /nfs/dbraw/zinc/48/29/41/835482941.db2.gz RFZJUFKTPOLWKH-QFIPXVFZSA-N 1 3 397.563 3.922 20 0 GHADHO C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)N1CCN(C)CC1 ZINC000180463651 836175268 /nfs/dbraw/zinc/17/52/68/836175268.db2.gz LTUHVWZKFPGHNP-HRAATJIYSA-N 1 3 375.919 3.794 20 0 GHADHO COc1ccc([C@@H](NCC2CC[NH+](CCO)CC2)c2ccccc2Cl)cc1 ZINC000180485748 836179270 /nfs/dbraw/zinc/17/92/70/836179270.db2.gz OFFAIOBHGBNKIQ-JOCHJYFZSA-N 1 3 388.939 3.732 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000548932089 836271796 /nfs/dbraw/zinc/27/17/96/836271796.db2.gz PQMSTTYFRYBNJG-FQEVSTJZSA-N 1 3 387.474 3.794 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414301678 836992687 /nfs/dbraw/zinc/99/26/87/836992687.db2.gz KBBCYEKJNMEUMG-QFIPXVFZSA-N 1 3 380.532 3.825 20 0 GHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476560 837001949 /nfs/dbraw/zinc/00/19/49/837001949.db2.gz JIQWRXYBZXMXOF-LEWJYISDSA-N 1 3 391.559 3.819 20 0 GHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476560 837001960 /nfs/dbraw/zinc/00/19/60/837001960.db2.gz JIQWRXYBZXMXOF-LEWJYISDSA-N 1 3 391.559 3.819 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000163774356 837879362 /nfs/dbraw/zinc/87/93/62/837879362.db2.gz KXUWTCYDCKOAHL-KRWDZBQOSA-N 1 3 389.565 3.751 20 0 GHADHO CN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659248305 838005197 /nfs/dbraw/zinc/00/51/97/838005197.db2.gz VYBYPPVHFXXVCP-GOTSBHOMSA-N 1 3 391.559 3.802 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000659285445 838202938 /nfs/dbraw/zinc/20/29/38/838202938.db2.gz PBQIXNCXAVHQJS-HSZRJFAPSA-N 1 3 377.532 3.913 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1 ZINC000415910707 838267962 /nfs/dbraw/zinc/26/79/62/838267962.db2.gz WMLSQIOYFHEROY-UHFFFAOYSA-N 1 3 390.478 3.670 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415953657 838315924 /nfs/dbraw/zinc/31/59/24/838315924.db2.gz JERMNNBHITWHKD-KRWDZBQOSA-N 1 3 396.510 3.600 20 0 GHADHO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000580070147 838801484 /nfs/dbraw/zinc/80/14/84/838801484.db2.gz RHGVFYHQTWDPKU-OAQYLSRUSA-N 1 3 397.950 3.555 20 0 GHADHO CN(c1ccccc1CNCc1cccc2c1CCCN2)C1CC[NH+](C)CC1 ZINC000415020915 839071601 /nfs/dbraw/zinc/07/16/01/839071601.db2.gz AHZBLQMQCASQFJ-UHFFFAOYSA-N 1 3 378.564 3.865 20 0 GHADHO C[C@H](CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1cccc(Br)c1 ZINC000415116536 839226980 /nfs/dbraw/zinc/22/69/80/839226980.db2.gz BOIZQNOEKKARNT-ZMYBRWDISA-N 1 3 381.358 3.771 20 0 GHADHO COc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OCCC(C)C ZINC000415119428 839231995 /nfs/dbraw/zinc/23/19/95/839231995.db2.gz FIVYOZHHTIGBGE-IFMALSPDSA-N 1 3 390.568 3.838 20 0 GHADHO Fc1ccc(-c2nnc3n2C[C@H]([NH2+]C2CCN(C4CCCCC4)CC2)CC3)cc1 ZINC000378553583 839333784 /nfs/dbraw/zinc/33/37/84/839333784.db2.gz ULKVGCYDBLONBC-HXUWFJFHSA-N 1 3 397.542 3.786 20 0 GHADHO Cc1cc(NC(=O)c2cccc(CN3CCCC3)c2)ccc1OCC[NH+](C)C ZINC000458193013 844434307 /nfs/dbraw/zinc/43/43/07/844434307.db2.gz IPEFRCZSSORBTM-UHFFFAOYSA-N 1 3 381.520 3.784 20 0 GHADHO COC[C@@H](NCC1(SC)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000580606380 839893601 /nfs/dbraw/zinc/89/36/01/839893601.db2.gz YGZVPVSJLXHYNY-MRXNPFEDSA-N 1 3 376.488 3.810 20 0 GHADHO [NH3+]CCC[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000416784195 840156286 /nfs/dbraw/zinc/15/62/86/840156286.db2.gz IUSMREQTCJXXFQ-FGZHOGPDSA-N 1 3 380.536 3.603 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000418480363 840296575 /nfs/dbraw/zinc/29/65/75/840296575.db2.gz CGHLEHNXHIHNTO-PGRDOPGGSA-N 1 3 380.536 3.512 20 0 GHADHO CCC1(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CCN(Cc2ccccc2)CC1 ZINC000511808664 840827761 /nfs/dbraw/zinc/82/77/61/840827761.db2.gz PIMHJFYLFQUDNH-LEWJYISDSA-N 1 3 392.609 3.624 20 0 GHADHO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000543872817 840886883 /nfs/dbraw/zinc/88/68/83/840886883.db2.gz HBUXTLIHVOWALH-SFHVURJKSA-N 1 3 377.548 3.664 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN(CCc2ccccc2F)C2CCCC2)CC1 ZINC000511633603 840950589 /nfs/dbraw/zinc/95/05/89/840950589.db2.gz GOTGNRZRBFPIKV-UHFFFAOYSA-N 1 3 389.559 3.602 20 0 GHADHO Cc1cc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1Br ZINC000500978966 844615562 /nfs/dbraw/zinc/61/55/62/844615562.db2.gz PILXZPFLQIDSJL-UHFFFAOYSA-N 1 3 394.401 3.748 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@@H](C)C1 ZINC000651710244 841409735 /nfs/dbraw/zinc/40/97/35/841409735.db2.gz VOFHRDDUSPTZKB-CVDCTZTESA-N 1 3 384.568 3.716 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000684387015 842031233 /nfs/dbraw/zinc/03/12/33/842031233.db2.gz ZGKGJJJRFOISRL-LZBANZJXSA-N 1 3 384.568 3.530 20 0 GHADHO Cc1ccc2[nH]c(CN3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)cc2c1C ZINC000473138470 842059538 /nfs/dbraw/zinc/05/95/38/842059538.db2.gz FQLQEGKUOJIVEE-UHFFFAOYSA-N 1 3 398.595 3.701 20 0 GHADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000432403784 842382259 /nfs/dbraw/zinc/38/22/59/842382259.db2.gz BYNYEYXRPHZPKP-LSDHHAIUSA-N 1 3 385.346 3.609 20 0 GHADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000432403784 842382275 /nfs/dbraw/zinc/38/22/75/842382275.db2.gz BYNYEYXRPHZPKP-LSDHHAIUSA-N 1 3 385.346 3.609 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512178922 842773741 /nfs/dbraw/zinc/77/37/41/842773741.db2.gz KCTRUWDDZIUKPQ-OALUTQOASA-N 1 3 396.579 3.810 20 0 GHADHO CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248369 843014256 /nfs/dbraw/zinc/01/42/56/843014256.db2.gz AAVIHPGYOGFYCJ-IBGZPJMESA-N 1 3 394.544 3.554 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295105 843086551 /nfs/dbraw/zinc/08/65/51/843086551.db2.gz FFJPXUIVCNGBHZ-SQGPQFPESA-N 1 3 383.536 3.710 20 0 GHADHO Cc1nc(-c2cccc(NC(=O)CN3CCC[C@@H](C)[C@H]3CCC[NH3+])c2)cs1 ZINC000662313828 843134953 /nfs/dbraw/zinc/13/49/53/843134953.db2.gz NTCIAFDFEIBEHO-FOIQADDNSA-N 1 3 386.565 3.896 20 0 GHADHO COc1cccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1Cl ZINC000662326789 843156447 /nfs/dbraw/zinc/15/64/47/843156447.db2.gz CAINMNCMCMEIRL-UHFFFAOYSA-N 1 3 388.943 3.918 20 0 GHADHO C[N@H+](Cc1ccccc1CNC(=O)c1cccc2c1CNC2)C1CCCCC1 ZINC000662399926 843186207 /nfs/dbraw/zinc/18/62/07/843186207.db2.gz WRSZDLFJKFNGSU-UHFFFAOYSA-N 1 3 377.532 3.984 20 0 GHADHO C[N@@H+](Cc1ccccc1CNC(=O)c1cccc2c1CNC2)C1CCCCC1 ZINC000662399926 843186211 /nfs/dbraw/zinc/18/62/11/843186211.db2.gz WRSZDLFJKFNGSU-UHFFFAOYSA-N 1 3 377.532 3.984 20 0 GHADHO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663343657 843249922 /nfs/dbraw/zinc/24/99/22/843249922.db2.gz AMUXDJPVDZCORH-SFHVURJKSA-N 1 3 389.971 3.656 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418674999 843525906 /nfs/dbraw/zinc/52/59/06/843525906.db2.gz PGOWFJYDEFVNIL-NZQKXSOJSA-N 1 3 394.563 3.630 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237724541 843970298 /nfs/dbraw/zinc/97/02/98/843970298.db2.gz VZYWUTMEIILHGY-UTKZUKDTSA-N 1 3 383.561 3.818 20 0 GHADHO Cc1cc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)ccc1C[NH+](C)C ZINC000458299118 844837295 /nfs/dbraw/zinc/83/72/95/844837295.db2.gz ZVMKGQKDBHYSMN-UHFFFAOYSA-N 1 3 394.563 3.839 20 0 GHADHO CCCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3CC)cc2Cl)CC1 ZINC000729338257 844861183 /nfs/dbraw/zinc/86/11/83/844861183.db2.gz AUPAEXDKANZBQQ-HXUWFJFHSA-N 1 3 392.975 3.685 20 0 GHADHO CCCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3CC)cc2Cl)CC1 ZINC000729338257 844861186 /nfs/dbraw/zinc/86/11/86/844861186.db2.gz AUPAEXDKANZBQQ-HXUWFJFHSA-N 1 3 392.975 3.685 20 0 GHADHO CC[C@@H]1CCCCN1C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433069741 845162102 /nfs/dbraw/zinc/16/21/02/845162102.db2.gz DPSORJUZUKPNLI-JOCHJYFZSA-N 1 3 383.580 3.766 20 0 GHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000171131125 861541962 /nfs/dbraw/zinc/54/19/62/861541962.db2.gz UJFVRJDAQBXNCA-LJQANCHMSA-N 1 3 395.547 3.995 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248402792 845301723 /nfs/dbraw/zinc/30/17/23/845301723.db2.gz NTMTVHDBEDZWLA-MZURWIMNSA-N 1 3 380.532 3.619 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248402792 845301732 /nfs/dbraw/zinc/30/17/32/845301732.db2.gz NTMTVHDBEDZWLA-MZURWIMNSA-N 1 3 380.532 3.619 20 0 GHADHO CNC(=O)c1cccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433172704 845598488 /nfs/dbraw/zinc/59/84/88/845598488.db2.gz DGDMRAAPLJXZMJ-UHFFFAOYSA-N 1 3 377.532 3.534 20 0 GHADHO CN(Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C1CC[NH+](CCO)CC1 ZINC000513542955 845634830 /nfs/dbraw/zinc/63/48/30/845634830.db2.gz LZEWWDGTIJVCCC-UHFFFAOYSA-N 1 3 376.447 3.646 20 0 GHADHO C[C@H](C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)CN1CCCCC1 ZINC000472150354 846209493 /nfs/dbraw/zinc/20/94/93/846209493.db2.gz BOJNRVQIFFMBAA-MOPGFXCFSA-N 1 3 385.552 3.553 20 0 GHADHO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc1 ZINC000731478913 861668819 /nfs/dbraw/zinc/66/88/19/861668819.db2.gz KIQPFRRTGVFGMY-OAQYLSRUSA-N 1 3 395.547 3.540 20 0 GHADHO CC(C)[C@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501045354 846570697 /nfs/dbraw/zinc/57/06/97/846570697.db2.gz IWRRBOCIZKNDKF-DEOSSOPVSA-N 1 3 394.563 3.743 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(N3CCOC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272811256 847179372 /nfs/dbraw/zinc/17/93/72/847179372.db2.gz ARCVBAYXDROITF-GHTZIAJQSA-N 1 3 379.504 3.786 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(N3CCOC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272811256 847179383 /nfs/dbraw/zinc/17/93/83/847179383.db2.gz ARCVBAYXDROITF-GHTZIAJQSA-N 1 3 379.504 3.786 20 0 GHADHO C[NH+](C)CCCC1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000501815597 847235150 /nfs/dbraw/zinc/23/51/50/847235150.db2.gz OJYNZNQEQXLRAJ-UHFFFAOYSA-N 1 3 385.596 3.522 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000502158451 847562194 /nfs/dbraw/zinc/56/21/94/847562194.db2.gz POESXWSECYAZPU-MMKMLUHNSA-N 1 3 398.551 3.529 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000502158451 847562197 /nfs/dbraw/zinc/56/21/97/847562197.db2.gz POESXWSECYAZPU-MMKMLUHNSA-N 1 3 398.551 3.529 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(CCCOc3cccc(Cl)c3)CC2)CC1 ZINC000420975306 847602454 /nfs/dbraw/zinc/60/24/54/847602454.db2.gz FPGIPTLYBIRSOC-UHFFFAOYSA-N 1 3 379.976 3.601 20 0 GHADHO CCN1CCC([N@H+]2CCCN(CCCOc3cccc(Cl)c3)CC2)CC1 ZINC000420975306 847602459 /nfs/dbraw/zinc/60/24/59/847602459.db2.gz FPGIPTLYBIRSOC-UHFFFAOYSA-N 1 3 379.976 3.601 20 0 GHADHO [NH3+][C@H]1CCCCC[C@@H]1NCCSCCOc1cccc(Br)c1 ZINC000422719280 847794795 /nfs/dbraw/zinc/79/47/95/847794795.db2.gz YHMWEDWXGVYEPL-IRXDYDNUSA-N 1 3 387.387 3.811 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422822158 847839732 /nfs/dbraw/zinc/83/97/32/847839732.db2.gz JHOZZUBKYPIEFV-IXDOHACOSA-N 1 3 379.932 3.578 20 0 GHADHO CCOCCOCc1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422870387 847874389 /nfs/dbraw/zinc/87/43/89/847874389.db2.gz YRHRRHGSXNHTCL-VWNXMTODSA-N 1 3 396.531 3.585 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@H](C)c3ccc(C[NH3+])nc3C)c2)n1 ZINC000423079081 847968555 /nfs/dbraw/zinc/96/85/55/847968555.db2.gz PZXUJLZTEJZRNK-CYBMUJFWSA-N 1 3 396.516 3.610 20 0 GHADHO Brc1cccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423091127 847975208 /nfs/dbraw/zinc/97/52/08/847975208.db2.gz WSIUYQIJCXBESW-DSLXNQLJSA-N 1 3 378.358 3.538 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC000582685477 848007595 /nfs/dbraw/zinc/00/75/95/848007595.db2.gz CUWKIGMLMHOELQ-JOCHJYFZSA-N 1 3 383.536 3.568 20 0 GHADHO Fc1cccc(CNCC2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000657537277 848123459 /nfs/dbraw/zinc/12/34/59/848123459.db2.gz GJAKAWBSTROQIL-UHFFFAOYSA-N 1 3 385.321 3.569 20 0 GHADHO CCOCc1ccccc1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000180076620 861939023 /nfs/dbraw/zinc/93/90/23/861939023.db2.gz PGNVQXMGOFEXPV-UHFFFAOYSA-N 1 3 387.955 3.918 20 0 GHADHO CC(C)(C)OC(=O)C1(Nc2ccc(F)c(CN3CCCC3)c2)CCC([NH3+])CC1 ZINC001167644128 848809900 /nfs/dbraw/zinc/80/99/00/848809900.db2.gz NCJPIKCLYFXBGD-UHFFFAOYSA-N 1 3 391.531 3.815 20 0 GHADHO CC(C)[C@@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000604193862 861957770 /nfs/dbraw/zinc/95/77/70/861957770.db2.gz ZOPCWMSQCTWFDZ-FGZHOGPDSA-N 1 3 386.584 3.633 20 0 GHADHO O=c1ccccn1Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000238060840 848946459 /nfs/dbraw/zinc/94/64/59/848946459.db2.gz AQQJUKANNVIMIP-UHFFFAOYSA-N 1 3 387.527 3.651 20 0 GHADHO C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000162385244 848988510 /nfs/dbraw/zinc/98/85/10/848988510.db2.gz ZPZHQGCTOJJYQX-LJQANCHMSA-N 1 3 382.552 3.863 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000583100065 849060410 /nfs/dbraw/zinc/06/04/10/849060410.db2.gz HPOPBASGINFMHR-OAQYLSRUSA-N 1 3 389.971 3.640 20 0 GHADHO [NH3+][C@H]1CCCCC[C@@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423183009 849775706 /nfs/dbraw/zinc/77/57/06/849775706.db2.gz MHBORDZYBDRAQZ-OALUTQOASA-N 1 3 380.374 3.663 20 0 GHADHO N[C@H](CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000583439028 849890492 /nfs/dbraw/zinc/89/04/92/849890492.db2.gz SHKWJUAKQQQABD-JOCHJYFZSA-N 1 3 377.532 3.591 20 0 GHADHO N[C@H](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000583439028 849890498 /nfs/dbraw/zinc/89/04/98/849890498.db2.gz SHKWJUAKQQQABD-JOCHJYFZSA-N 1 3 377.532 3.591 20 0 GHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423378310 849892451 /nfs/dbraw/zinc/89/24/51/849892451.db2.gz FRKNKYJLWASICI-BBRMVZONSA-N 1 3 398.498 3.605 20 0 GHADHO Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000443859869 862074622 /nfs/dbraw/zinc/07/46/22/862074622.db2.gz SQBFQTHGUQUZMN-UHFFFAOYSA-N 1 3 383.502 3.863 20 0 GHADHO COC(=O)c1ccc(-c2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424296587 850339675 /nfs/dbraw/zinc/33/96/75/850339675.db2.gz RZCVSNQOMBOOPL-HNNXBMFYSA-N 1 3 385.533 3.561 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)Nc3cc(C)cc(C[NH3+])c3)c(C)c2)CC1 ZINC000424431336 850465461 /nfs/dbraw/zinc/46/54/61/850465461.db2.gz FOHDDDMFJPYFCR-UHFFFAOYSA-N 1 3 381.524 3.548 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168372890 850730831 /nfs/dbraw/zinc/73/08/31/850730831.db2.gz NJWWAGAINSAIGO-QFIPXVFZSA-N 1 3 377.573 3.726 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168372890 850730839 /nfs/dbraw/zinc/73/08/39/850730839.db2.gz NJWWAGAINSAIGO-QFIPXVFZSA-N 1 3 377.573 3.726 20 0 GHADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505299049 850799129 /nfs/dbraw/zinc/79/91/29/850799129.db2.gz VDHANRYUEMILTM-HSZRJFAPSA-N 1 3 383.580 3.766 20 0 GHADHO C[C@H](Cc1ccc(O)cc1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000509992455 851560742 /nfs/dbraw/zinc/56/07/42/851560742.db2.gz MRMXMHOZQQLKSN-OAQYLSRUSA-N 1 3 381.564 3.511 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000489185186 852099198 /nfs/dbraw/zinc/09/91/98/852099198.db2.gz NUNZKNNXSJFWQY-XXBNENTESA-N 1 3 394.563 3.601 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000489185186 852099203 /nfs/dbraw/zinc/09/92/03/852099203.db2.gz NUNZKNNXSJFWQY-XXBNENTESA-N 1 3 394.563 3.601 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517640243 852197751 /nfs/dbraw/zinc/19/77/51/852197751.db2.gz XXKZPTAAFPRSTA-AKIFATBCSA-N 1 3 382.548 3.686 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517640243 852197759 /nfs/dbraw/zinc/19/77/59/852197759.db2.gz XXKZPTAAFPRSTA-AKIFATBCSA-N 1 3 382.548 3.686 20 0 GHADHO C[C@@H](NCc1ccc(N2CCCCC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151043872 852989020 /nfs/dbraw/zinc/98/90/20/852989020.db2.gz OIDUQHPQKDHMBM-LJQANCHMSA-N 1 3 395.547 3.995 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000518291484 853185856 /nfs/dbraw/zinc/18/58/56/853185856.db2.gz SUNRCYOGMQCGJZ-KNQAVFIVSA-N 1 3 394.563 3.539 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520093960 853826118 /nfs/dbraw/zinc/82/61/18/853826118.db2.gz PWZGJMADLHCUST-PZJWPPBQSA-N 1 3 389.559 3.809 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520093960 853826126 /nfs/dbraw/zinc/82/61/26/853826126.db2.gz PWZGJMADLHCUST-PZJWPPBQSA-N 1 3 389.559 3.809 20 0 GHADHO O=C(c1ccsc1)N1CCC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378695 853902344 /nfs/dbraw/zinc/90/23/44/853902344.db2.gz QOOSDBVYUCKWLD-UHFFFAOYSA-N 1 3 387.593 3.551 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000507735288 853913371 /nfs/dbraw/zinc/91/33/71/853913371.db2.gz YTPKGOCMYCLYPM-QUCCMNQESA-N 1 3 395.538 3.771 20 0 GHADHO CCCOc1c(Cl)cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OCC ZINC000441354590 854125625 /nfs/dbraw/zinc/12/56/25/854125625.db2.gz FFYIMNQTWLIRMQ-UHFFFAOYSA-N 1 3 397.991 3.643 20 0 GHADHO Cc1ccc(N2C[C@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)CC2=O)cc1 ZINC001167993726 854385336 /nfs/dbraw/zinc/38/53/36/854385336.db2.gz QKEFGFINCZOWEB-KMBIXFLUSA-N 1 3 393.575 3.829 20 0 GHADHO Cc1ccc(N2C[C@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)CC2=O)cc1 ZINC001167993726 854385342 /nfs/dbraw/zinc/38/53/42/854385342.db2.gz QKEFGFINCZOWEB-KMBIXFLUSA-N 1 3 393.575 3.829 20 0 GHADHO CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995034 854429583 /nfs/dbraw/zinc/42/95/83/854429583.db2.gz UWPSKORBDKGUQV-MQEZQYLSSA-N 1 3 391.600 3.971 20 0 GHADHO CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995034 854429591 /nfs/dbraw/zinc/42/95/91/854429591.db2.gz UWPSKORBDKGUQV-MQEZQYLSSA-N 1 3 391.600 3.971 20 0 GHADHO C[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995034 854429599 /nfs/dbraw/zinc/42/95/99/854429599.db2.gz UWPSKORBDKGUQV-MQEZQYLSSA-N 1 3 391.600 3.971 20 0 GHADHO C[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995034 854429607 /nfs/dbraw/zinc/42/96/07/854429607.db2.gz UWPSKORBDKGUQV-MQEZQYLSSA-N 1 3 391.600 3.971 20 0 GHADHO CC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994280 854436723 /nfs/dbraw/zinc/43/67/23/854436723.db2.gz BCLDKJJSHNWABN-COHPWVSRSA-N 1 3 377.573 3.723 20 0 GHADHO CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994280 854436727 /nfs/dbraw/zinc/43/67/27/854436727.db2.gz BCLDKJJSHNWABN-COHPWVSRSA-N 1 3 377.573 3.723 20 0 GHADHO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000572495850 854524169 /nfs/dbraw/zinc/52/41/69/854524169.db2.gz JDZBNHOHLAUOLC-UHFFFAOYSA-N 1 3 398.938 3.977 20 0 GHADHO COc1ccc([C@H]2C[C@@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)CCO2)cc1 ZINC001168615899 855009486 /nfs/dbraw/zinc/00/94/86/855009486.db2.gz PPPVVCDEAJBSLR-LADGPHEKSA-N 1 3 395.547 3.812 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3nn(C)c4ccccc34)CC2)c1 ZINC000589639972 855085556 /nfs/dbraw/zinc/08/55/56/855085556.db2.gz PYCCYKOPYNYZFU-UHFFFAOYSA-N 1 3 391.563 3.574 20 0 GHADHO Cc1cccc(N2CC[NH+](CCCCNCc3nn(C)c4ccccc34)CC2)c1 ZINC000589639972 855085562 /nfs/dbraw/zinc/08/55/62/855085562.db2.gz PYCCYKOPYNYZFU-UHFFFAOYSA-N 1 3 391.563 3.574 20 0 GHADHO C[NH+]1CCC2(CC1)CN(CCCCOc1cccc(C(F)(F)F)c1)CCO2 ZINC000646104023 855574086 /nfs/dbraw/zinc/57/40/86/855574086.db2.gz WKZUZNZLIRGEHM-UHFFFAOYSA-N 1 3 386.458 3.661 20 0 GHADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(OC)cc1 ZINC000180974953 862697315 /nfs/dbraw/zinc/69/73/15/862697315.db2.gz OOUTVFJMIICSKX-QHCPKHFHSA-N 1 3 395.547 3.762 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)N1CCCCC1 ZINC000520549310 855620195 /nfs/dbraw/zinc/62/01/95/855620195.db2.gz PERPVVVXPJJRMC-QHCPKHFHSA-N 1 3 398.595 3.668 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)N2CCCC2)cc1 ZINC000591581739 856162449 /nfs/dbraw/zinc/16/24/49/856162449.db2.gz XDFYBNNPTRBPHY-FCHUYYIVSA-N 1 3 386.584 3.552 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(C(=O)OC(C)(C)C)CCOCC2)CC1 ZINC000592394449 856803571 /nfs/dbraw/zinc/80/35/71/856803571.db2.gz OLUZIJPWZXNJEN-QUCCMNQESA-N 1 3 394.600 3.758 20 0 GHADHO COC(=O)c1cccc(-c2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592492221 856899130 /nfs/dbraw/zinc/89/91/30/856899130.db2.gz WWVLMBWTBVKBKA-RBUKOAKNSA-N 1 3 399.560 3.808 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000111518650 856942357 /nfs/dbraw/zinc/94/23/57/856942357.db2.gz FKKVWKUTZKSYMX-UHFFFAOYSA-N 1 3 386.584 3.560 20 0 GHADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000665254388 857086771 /nfs/dbraw/zinc/08/67/71/857086771.db2.gz PEMIKXISTHJLME-HSQYWUDLSA-N 1 3 398.547 3.769 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465947690 857190677 /nfs/dbraw/zinc/19/06/77/857190677.db2.gz ICTXLMRKJMRLPU-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465947690 857190680 /nfs/dbraw/zinc/19/06/80/857190680.db2.gz ICTXLMRKJMRLPU-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000521103421 857602603 /nfs/dbraw/zinc/60/26/03/857602603.db2.gz OPOLWBWIUPODSV-OAQYLSRUSA-N 1 3 399.623 3.908 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000521103421 857602609 /nfs/dbraw/zinc/60/26/09/857602609.db2.gz OPOLWBWIUPODSV-OAQYLSRUSA-N 1 3 399.623 3.908 20 0 GHADHO Cc1ccc([C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000063586752 857629892 /nfs/dbraw/zinc/62/98/92/857629892.db2.gz KRIICPGNVMZATB-QHCPKHFHSA-N 1 3 379.548 3.626 20 0 GHADHO CCO[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)C12CCCCC2 ZINC000676064114 857726513 /nfs/dbraw/zinc/72/65/13/857726513.db2.gz AZLDMTPRMYXKIH-NHCUHLMSSA-N 1 3 375.557 3.630 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)[C@@H](C)C1 ZINC000676541216 857932878 /nfs/dbraw/zinc/93/28/78/857932878.db2.gz PSQRFWFNGODJTA-NNWRFLSQSA-N 1 3 386.584 3.585 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)[C@@H](C)C1 ZINC000676541216 857932883 /nfs/dbraw/zinc/93/28/83/857932883.db2.gz PSQRFWFNGODJTA-NNWRFLSQSA-N 1 3 386.584 3.585 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000594276204 858022114 /nfs/dbraw/zinc/02/21/14/858022114.db2.gz SDLDRMHJQRIZFJ-YADHBBJMSA-N 1 3 386.584 3.512 20 0 GHADHO Cn1c2cc(C[NH2+][C@@H]3CCN(Cc4ccccc4)[C@@H]4CCC[C@@H]43)ccc2oc1=O ZINC000624205549 862985583 /nfs/dbraw/zinc/98/55/83/862985583.db2.gz HEUJLANHOJHILR-NJDAHSKKSA-N 1 3 391.515 3.664 20 0 GHADHO CN1CCN(CC[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1(C)C ZINC000442894448 858215357 /nfs/dbraw/zinc/21/53/57/858215357.db2.gz ZLOZSQLFDRTBBZ-OAQYLSRUSA-N 1 3 386.971 3.634 20 0 GHADHO C[C@H](CSCCF)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000595038217 858376812 /nfs/dbraw/zinc/37/68/12/858376812.db2.gz LDPQOJSUMWRWHR-QUCCMNQESA-N 1 3 380.573 3.596 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000474075728 858791765 /nfs/dbraw/zinc/79/17/65/858791765.db2.gz WGXJCXXSOAGLCW-FOVJLYNBSA-N 1 3 394.559 3.890 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000474075728 858791773 /nfs/dbraw/zinc/79/17/73/858791773.db2.gz WGXJCXXSOAGLCW-FOVJLYNBSA-N 1 3 394.559 3.890 20 0 GHADHO C[C@@H]1C[C@@H](NCCNC(=O)Nc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168022394 859001391 /nfs/dbraw/zinc/00/13/91/859001391.db2.gz RWEAZIDCNUYVSA-HATOLVCRSA-N 1 3 380.536 3.839 20 0 GHADHO C[C@@H]1C[C@@H](NCCNC(=O)Nc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168022394 859001402 /nfs/dbraw/zinc/00/14/02/859001402.db2.gz RWEAZIDCNUYVSA-HATOLVCRSA-N 1 3 380.536 3.839 20 0 GHADHO C[C@@H]1CC(NC[C@]2(O)CCOc3ccccc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023357 859100709 /nfs/dbraw/zinc/10/07/09/859100709.db2.gz VTBDNWQSYGQMPW-KHCICDEESA-N 1 3 380.532 3.688 20 0 GHADHO CC1(C)CN(Cc2cnn3c2CCC3)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000668206089 859142900 /nfs/dbraw/zinc/14/29/00/859142900.db2.gz FHWBNNFHFSBVJP-HSZRJFAPSA-N 1 3 378.564 3.952 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3CC3CCCCC3)CC2)CC1 ZINC000051761190 859313475 /nfs/dbraw/zinc/31/34/75/859313475.db2.gz TUORRQXWABQUKT-QFIPXVFZSA-N 1 3 390.616 3.689 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000483720683 859559373 /nfs/dbraw/zinc/55/93/73/859559373.db2.gz GLVWEFSYGKFXHH-XWUOBKMESA-N 1 3 393.641 3.858 20 0 GHADHO C[C@@H]1CC(NC[C@H]2CN(c3ccccc3)CCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168029531 859559381 /nfs/dbraw/zinc/55/93/81/859559381.db2.gz SWGHOTUNEROIFW-OTPAQWSUSA-N 1 3 393.575 3.923 20 0 GHADHO CC[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000483712134 859568240 /nfs/dbraw/zinc/56/82/40/859568240.db2.gz LYWGLDQBQMIVCI-JOCHJYFZSA-N 1 3 398.595 3.530 20 0 GHADHO COCc1csc(CN2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856560670 881457528 /nfs/dbraw/zinc/45/75/28/881457528.db2.gz YSSGDSBHQRIROD-FQEVSTJZSA-N 1 3 389.565 3.783 20 0 GHADHO COCc1csc(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856560670 881457824 /nfs/dbraw/zinc/45/78/24/881457824.db2.gz YSSGDSBHQRIROD-FQEVSTJZSA-N 1 3 389.565 3.783 20 0 GHADHO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1C ZINC000856561347 881459940 /nfs/dbraw/zinc/45/99/40/881459940.db2.gz NSTHXZBNPRLMRN-QFIPXVFZSA-N 1 3 383.536 3.892 20 0 GHADHO COc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1C ZINC000856561347 881460081 /nfs/dbraw/zinc/46/00/81/881460081.db2.gz NSTHXZBNPRLMRN-QFIPXVFZSA-N 1 3 383.536 3.892 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1scnc1C1CC1 ZINC000494981594 859871735 /nfs/dbraw/zinc/87/17/35/859871735.db2.gz UDEGQKRIXOPRKC-UHFFFAOYSA-N 1 3 376.614 3.649 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000765266877 859883826 /nfs/dbraw/zinc/88/38/26/859883826.db2.gz JKRWIURBBQFFKF-AVRDEDQJSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000765266877 859883828 /nfs/dbraw/zinc/88/38/28/859883828.db2.gz JKRWIURBBQFFKF-AVRDEDQJSA-N 1 3 379.504 3.643 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CCCN1CCCCC1 ZINC000765366978 859929571 /nfs/dbraw/zinc/92/95/71/859929571.db2.gz ISWUODZASVLKTI-KRWDZBQOSA-N 1 3 390.572 3.941 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001127859560 859961320 /nfs/dbraw/zinc/96/13/20/859961320.db2.gz KDWSTKPICDAVPX-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO Clc1ccc(CNC[C@@H](c2ccccc2)[NH+]2CCCC2)c(-n2cncn2)c1 ZINC000474482495 860196686 /nfs/dbraw/zinc/19/66/86/860196686.db2.gz LJDOTRUDFCMHRD-NRFANRHFSA-N 1 3 381.911 3.847 20 0 GHADHO CCCN(C(=O)NCC[N@H+](CC)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000522446139 860278573 /nfs/dbraw/zinc/27/85/73/860278573.db2.gz KAIBLKUFXBPCAN-QFIPXVFZSA-N 1 3 386.584 3.557 20 0 GHADHO CCCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000522446139 860278582 /nfs/dbraw/zinc/27/85/82/860278582.db2.gz KAIBLKUFXBPCAN-QFIPXVFZSA-N 1 3 386.584 3.557 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000522470309 860705677 /nfs/dbraw/zinc/70/56/77/860705677.db2.gz PGGKNHDTBZYKLR-JOCHJYFZSA-N 1 3 386.584 3.696 20 0 GHADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c2cccs2)CC1 ZINC000489798630 860756321 /nfs/dbraw/zinc/75/63/21/860756321.db2.gz RIVDLBRNLXYTGI-CEXWTWQISA-N 1 3 392.613 3.693 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199460 881591986 /nfs/dbraw/zinc/59/19/86/881591986.db2.gz ZJOXSHWTRVGSKM-FMWKFLBASA-N 1 3 398.551 3.671 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199460 881591992 /nfs/dbraw/zinc/59/19/92/881591992.db2.gz ZJOXSHWTRVGSKM-FMWKFLBASA-N 1 3 398.551 3.671 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182230913 863157691 /nfs/dbraw/zinc/15/76/91/863157691.db2.gz WGIVVRWNPRHXOR-FYYLOGMGSA-N 1 3 380.532 3.955 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182230913 863157698 /nfs/dbraw/zinc/15/76/98/863157698.db2.gz WGIVVRWNPRHXOR-FYYLOGMGSA-N 1 3 380.532 3.955 20 0 GHADHO C[NH+](C)CCOc1ccccc1N1CCN(c2ccnc3ccccc32)CC1 ZINC000606157716 863436632 /nfs/dbraw/zinc/43/66/32/863436632.db2.gz UFCRMFVYFMJLIX-UHFFFAOYSA-N 1 3 376.504 3.502 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000480275630 864385841 /nfs/dbraw/zinc/38/58/41/864385841.db2.gz DTBWKAWLQKGMMN-BWKNWUBXSA-N 1 3 377.576 3.935 20 0 GHADHO COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475330136 864793866 /nfs/dbraw/zinc/79/38/66/864793866.db2.gz JJOQWAKZSRGJIZ-SZPZYZBQSA-N 1 3 388.515 3.649 20 0 GHADHO COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475330136 864793873 /nfs/dbraw/zinc/79/38/73/864793873.db2.gz JJOQWAKZSRGJIZ-SZPZYZBQSA-N 1 3 388.515 3.649 20 0 GHADHO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655715251 865055596 /nfs/dbraw/zinc/05/55/96/865055596.db2.gz HZWSZJXGCNRSPI-XMMPIXPASA-N 1 3 397.563 3.645 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@@H](NCc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000555188832 865660306 /nfs/dbraw/zinc/66/03/06/865660306.db2.gz QFCDFYDJRIRRSY-FGZHOGPDSA-N 1 3 396.531 3.898 20 0 GHADHO FC(F)(F)COc1ccccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963614 865861419 /nfs/dbraw/zinc/86/14/19/865861419.db2.gz AXTWVPKZNPWCTK-UHFFFAOYSA-N 1 3 386.458 3.705 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)cc1CN1CCCCC1 ZINC000183316109 866593288 /nfs/dbraw/zinc/59/32/88/866593288.db2.gz FSHRTWNYHBYJIG-GOSISDBHSA-N 1 3 387.568 3.638 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001170428876 882047329 /nfs/dbraw/zinc/04/73/29/882047329.db2.gz PHJGOBXMFSNCRJ-HXUWFJFHSA-N 1 3 396.531 3.781 20 0 GHADHO CN(C)[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccs1 ZINC000155065268 867735417 /nfs/dbraw/zinc/73/54/17/867735417.db2.gz KKVZPCSRYOHWFC-HXUWFJFHSA-N 1 3 375.557 3.787 20 0 GHADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461369 867802601 /nfs/dbraw/zinc/80/26/01/867802601.db2.gz BTPGTLIYLNYKDV-RBBKRZOGSA-N 1 3 379.548 3.696 20 0 GHADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461369 867802608 /nfs/dbraw/zinc/80/26/08/867802608.db2.gz BTPGTLIYLNYKDV-RBBKRZOGSA-N 1 3 379.548 3.696 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463079 867807277 /nfs/dbraw/zinc/80/72/77/867807277.db2.gz IAZFYBIORHYGEV-URXFXBBRSA-N 1 3 377.532 3.592 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463079 867807288 /nfs/dbraw/zinc/80/72/88/867807288.db2.gz IAZFYBIORHYGEV-URXFXBBRSA-N 1 3 377.532 3.592 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000523764280 867913641 /nfs/dbraw/zinc/91/36/41/867913641.db2.gz PUMKPVJZTLQKPZ-KBWCOIMZSA-N 1 3 378.605 3.547 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000523764280 867913652 /nfs/dbraw/zinc/91/36/52/867913652.db2.gz PUMKPVJZTLQKPZ-KBWCOIMZSA-N 1 3 378.605 3.547 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000156120744 868259411 /nfs/dbraw/zinc/25/94/11/868259411.db2.gz ITIMBVYTKHVOMN-UHFFFAOYSA-N 1 3 379.548 3.529 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000156120744 868259429 /nfs/dbraw/zinc/25/94/29/868259429.db2.gz ITIMBVYTKHVOMN-UHFFFAOYSA-N 1 3 379.548 3.529 20 0 GHADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000272271680 868476480 /nfs/dbraw/zinc/47/64/80/868476480.db2.gz BMRMYXVNRGIUDF-WFXMLNOXSA-N 1 3 386.561 3.651 20 0 GHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000156924174 868503611 /nfs/dbraw/zinc/50/36/11/868503611.db2.gz URNFEPTXWPDZMO-UZLBHIALSA-N 1 3 397.588 3.785 20 0 GHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000156924174 868503616 /nfs/dbraw/zinc/50/36/16/868503616.db2.gz URNFEPTXWPDZMO-UZLBHIALSA-N 1 3 397.588 3.785 20 0 GHADHO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000535385840 868671964 /nfs/dbraw/zinc/67/19/64/868671964.db2.gz SSQHZJOMNPLWMQ-HUUCEWRRSA-N 1 3 376.570 3.561 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524447490 869096570 /nfs/dbraw/zinc/09/65/70/869096570.db2.gz RFTLNNRDYCZBGT-IRLDBZIGSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524447490 869096575 /nfs/dbraw/zinc/09/65/75/869096575.db2.gz RFTLNNRDYCZBGT-IRLDBZIGSA-N 1 3 386.584 3.605 20 0 GHADHO Brc1cc(Br)cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000394586928 882263968 /nfs/dbraw/zinc/26/39/68/882263968.db2.gz WRCDWOMNIOILPI-LLVKDONJSA-N 1 3 388.147 3.786 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C[C@H]1C ZINC000524880083 869726126 /nfs/dbraw/zinc/72/61/26/869726126.db2.gz LDWOVKBDIWCIAQ-QTEQDKRBSA-N 1 3 385.596 3.661 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C[C@H]1C ZINC000524880083 869726133 /nfs/dbraw/zinc/72/61/33/869726133.db2.gz LDWOVKBDIWCIAQ-QTEQDKRBSA-N 1 3 385.596 3.661 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000462799811 870117567 /nfs/dbraw/zinc/11/75/67/870117567.db2.gz YCBRJLHCPBKTRG-AGILITTLSA-N 1 3 385.596 3.509 20 0 GHADHO Cn1cc(-c2ccc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)s2)cn1 ZINC000509459381 870387847 /nfs/dbraw/zinc/38/78/47/870387847.db2.gz LHLNFZZCDDXBAY-UHFFFAOYSA-N 1 3 396.560 3.913 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000540159233 870621067 /nfs/dbraw/zinc/62/10/67/870621067.db2.gz XDQNNYTVYQVRKW-MBSDFSHPSA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000540159233 870621077 /nfs/dbraw/zinc/62/10/77/870621077.db2.gz XDQNNYTVYQVRKW-MBSDFSHPSA-N 1 3 384.520 3.583 20 0 GHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000540162911 870627143 /nfs/dbraw/zinc/62/71/43/870627143.db2.gz LKBHJMZFPWIMFN-IPMKNSEASA-N 1 3 381.358 3.868 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000540171162 870655822 /nfs/dbraw/zinc/65/58/22/870655822.db2.gz TTYMGFZAIFKIFA-BZSNNMDCSA-N 1 3 395.975 3.845 20 0 GHADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000540315586 870965820 /nfs/dbraw/zinc/96/58/20/870965820.db2.gz GZJKSZJRKMDZRN-XUVXKRRUSA-N 1 3 393.369 3.868 20 0 GHADHO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCCN3CCCC3)cc1)CC2 ZINC000090028422 871090256 /nfs/dbraw/zinc/09/02/56/871090256.db2.gz FPRNBYBICDQIKW-QHCPKHFHSA-N 1 3 377.532 3.598 20 0 GHADHO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001193649812 871214689 /nfs/dbraw/zinc/21/46/89/871214689.db2.gz XWAUSPZPQPDBJV-DENIHFKCSA-N 1 3 386.584 3.716 20 0 GHADHO Cc1nccn1-c1ccc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000122344619 882514804 /nfs/dbraw/zinc/51/48/04/882514804.db2.gz XHKQXTAQCSUSRM-GOSISDBHSA-N 1 3 378.520 3.972 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)ccc1OC ZINC000182340393 872230630 /nfs/dbraw/zinc/23/06/30/872230630.db2.gz VZTLIUHDHNIFNQ-SFHVURJKSA-N 1 3 389.584 3.835 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3c4ccccc4C(C)(C)[C@H]3C)CC2)CC1 ZINC000619019497 872254396 /nfs/dbraw/zinc/25/43/96/872254396.db2.gz POFKPDVWCJWSTM-GOSISDBHSA-N 1 3 383.580 3.896 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030927 872381112 /nfs/dbraw/zinc/38/11/12/872381112.db2.gz YKZZFQJSEFDODS-WOJBJXKFSA-N 1 3 379.548 3.819 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030927 872381128 /nfs/dbraw/zinc/38/11/28/872381128.db2.gz YKZZFQJSEFDODS-WOJBJXKFSA-N 1 3 379.548 3.819 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cc1CN1CCCCC1 ZINC000763558892 872535793 /nfs/dbraw/zinc/53/57/93/872535793.db2.gz NEUGMZIHPDFOHI-AVRDEDQJSA-N 1 3 390.568 3.509 20 0 GHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000540983969 872673091 /nfs/dbraw/zinc/67/30/91/872673091.db2.gz NKLUYBKMJQBGLD-PGRDOPGGSA-N 1 3 397.563 3.696 20 0 GHADHO CC(C)Oc1cc(Cl)c(CNC[C@@H](C)C[NH+]2CCN(C)CC2)cc1Cl ZINC000527653714 873449370 /nfs/dbraw/zinc/44/93/70/873449370.db2.gz PEOLAWINNUZMPC-OAHLLOKOSA-N 1 3 388.383 3.754 20 0 GHADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882235 882762217 /nfs/dbraw/zinc/76/22/17/882762217.db2.gz IYOSEKLAYQQXII-XZOQPEGZSA-N 1 3 392.543 3.509 20 0 GHADHO c1ccc(C[N@H+]2C[C@H](CN[C@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882235 882762221 /nfs/dbraw/zinc/76/22/21/882762221.db2.gz IYOSEKLAYQQXII-XZOQPEGZSA-N 1 3 392.543 3.509 20 0 GHADHO c1ccc(C[N@@H+]2C[C@H](CN[C@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882235 882762228 /nfs/dbraw/zinc/76/22/28/882762228.db2.gz IYOSEKLAYQQXII-XZOQPEGZSA-N 1 3 392.543 3.509 20 0 GHADHO C[NH+](C)CCCC1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000769498562 874105698 /nfs/dbraw/zinc/10/56/98/874105698.db2.gz LKDUJPZLOGHPDE-UHFFFAOYSA-N 1 3 376.545 3.982 20 0 GHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769513517 874121026 /nfs/dbraw/zinc/12/10/26/874121026.db2.gz BEQUUCBQXSXONO-QGZVFWFLSA-N 1 3 376.570 3.549 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCCc3c(Cl)cccc32)c1 ZINC000541742059 874204540 /nfs/dbraw/zinc/20/45/40/874204540.db2.gz QATQXFVQWMMXOD-OAQYLSRUSA-N 1 3 385.939 3.799 20 0 GHADHO COc1cccc([C@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)N(C)C)c1 ZINC000449066193 874404057 /nfs/dbraw/zinc/40/40/57/874404057.db2.gz YYQNAVYZWHKLJS-CPJSRVTESA-N 1 3 395.591 3.983 20 0 GHADHO CCC(CC)[C@@H](CNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000449075396 874455583 /nfs/dbraw/zinc/45/55/83/874455583.db2.gz QULZNBNKUSWWSD-DYESRHJHSA-N 1 3 380.598 3.684 20 0 GHADHO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000237340727 882837479 /nfs/dbraw/zinc/83/74/79/882837479.db2.gz PKSORVHEUFUTHZ-FQEVSTJZSA-N 1 3 379.548 3.623 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449184565 874576741 /nfs/dbraw/zinc/57/67/41/874576741.db2.gz FCVHYNXEHYCZLF-MSOLQXFVSA-N 1 3 393.503 3.556 20 0 GHADHO Cc1cc(Br)c(CNCCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000449225172 874615223 /nfs/dbraw/zinc/61/52/23/874615223.db2.gz SEAMQFOZQMTAPD-UHFFFAOYSA-N 1 3 388.781 3.527 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC1 ZINC000449618476 875133683 /nfs/dbraw/zinc/13/36/83/875133683.db2.gz YSGNOQFLFYKTEU-ZJSXRUAMSA-N 1 3 394.563 3.624 20 0 GHADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465421232 882906049 /nfs/dbraw/zinc/90/60/49/882906049.db2.gz FTABEGNICQOJQN-MOPGFXCFSA-N 1 3 392.613 3.647 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2cnnn2Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000491345788 875622804 /nfs/dbraw/zinc/62/28/04/875622804.db2.gz JKWAMEPERHISFU-NZQKXSOJSA-N 1 3 389.547 3.717 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2cnnn2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000491345788 875622810 /nfs/dbraw/zinc/62/28/10/875622810.db2.gz JKWAMEPERHISFU-NZQKXSOJSA-N 1 3 389.547 3.717 20 0 GHADHO CC[C@@H](CCc1ccccc1)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000529799329 876681611 /nfs/dbraw/zinc/68/16/11/876681611.db2.gz CKCHRDVPXIRMJD-QFIPXVFZSA-N 1 3 385.596 3.710 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836913 876957265 /nfs/dbraw/zinc/95/72/65/876957265.db2.gz QENPMKJOXDCVDA-XQBPLPMBSA-N 1 3 392.547 3.920 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836913 876957269 /nfs/dbraw/zinc/95/72/69/876957269.db2.gz QENPMKJOXDCVDA-XQBPLPMBSA-N 1 3 392.547 3.920 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)ccc1OC ZINC000850502816 876976479 /nfs/dbraw/zinc/97/64/79/876976479.db2.gz RGURCKAAFLRCBQ-PXYNUFBESA-N 1 3 380.598 3.877 20 0 GHADHO CN(C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000642619164 912221344 /nfs/dbraw/zinc/22/13/44/912221344.db2.gz QQAHEJKIRWYHPN-HSZRJFAPSA-N 1 3 394.563 3.775 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000175429360 877697423 /nfs/dbraw/zinc/69/74/23/877697423.db2.gz SEVXVKOFGGDFHR-SJORKVTESA-N 1 3 379.976 3.753 20 0 GHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175608341 877793558 /nfs/dbraw/zinc/79/35/58/877793558.db2.gz SNOGONSVKBOSHK-QFIPXVFZSA-N 1 3 384.568 3.530 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000176377760 878237181 /nfs/dbraw/zinc/23/71/81/878237181.db2.gz VZFQTBYITOGWPE-QFIPXVFZSA-N 1 3 398.595 3.557 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000176377760 878237196 /nfs/dbraw/zinc/23/71/96/878237196.db2.gz VZFQTBYITOGWPE-QFIPXVFZSA-N 1 3 398.595 3.557 20 0 GHADHO COCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245664415 878318396 /nfs/dbraw/zinc/31/83/96/878318396.db2.gz GJXFPHGPSQVNIE-NUNAXRQHSA-N 1 3 380.532 3.997 20 0 GHADHO CN1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000245682630 878368223 /nfs/dbraw/zinc/36/82/23/878368223.db2.gz VQFQKJFXHLRQTD-XZOQPEGZSA-N 1 3 392.547 3.527 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177601967 878773332 /nfs/dbraw/zinc/77/33/32/878773332.db2.gz JJKKSYLUNVSUAN-IEBWSBKVSA-N 1 3 375.582 3.656 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177601967 878773351 /nfs/dbraw/zinc/77/33/51/878773351.db2.gz JJKKSYLUNVSUAN-IEBWSBKVSA-N 1 3 375.582 3.656 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000853239555 878922572 /nfs/dbraw/zinc/92/25/72/878922572.db2.gz HWQHOFCPYPCYNC-HKUYNNGSSA-N 1 3 379.589 3.734 20 0 GHADHO [NH3+]C1(CNCc2c(Cl)ccc3cccnc32)CCN(Cc2ccccc2)CC1 ZINC000667057052 879095408 /nfs/dbraw/zinc/09/54/08/879095408.db2.gz CNBPDQMDPIGNMY-UHFFFAOYSA-N 1 3 394.950 3.971 20 0 GHADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000178604436 879157536 /nfs/dbraw/zinc/15/75/36/879157536.db2.gz DXBNGSZNZHFCFV-QGZVFWFLSA-N 1 3 380.374 3.880 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C[C@H](C)O1 ZINC000531178261 879298299 /nfs/dbraw/zinc/29/82/99/879298299.db2.gz ALIXVSSBFNSCJS-BGYRXZFFSA-N 1 3 382.552 3.584 20 0 GHADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)ccc1OC(F)F ZINC000246278542 879334196 /nfs/dbraw/zinc/33/41/96/879334196.db2.gz BIAGODJMZHMGEO-BMGDILEWSA-N 1 3 398.494 3.715 20 0 GHADHO COc1ccccc1-c1ccnc(C2CC[NH+](CC[C@@H]3CCCN3C)CC2)n1 ZINC000854095651 879523895 /nfs/dbraw/zinc/52/38/95/879523895.db2.gz CIQSMBGJOPGLDT-IBGZPJMESA-N 1 3 380.536 3.816 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000493953029 879769296 /nfs/dbraw/zinc/76/92/96/879769296.db2.gz QALJDLYZXCRKHJ-WXFUMESZSA-N 1 3 397.607 3.522 20 0 GHADHO COc1cc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1OC(F)F ZINC000247174635 879936560 /nfs/dbraw/zinc/93/65/60/879936560.db2.gz YSAWHNRFPOARNW-OWCLPIDISA-N 1 3 386.483 3.837 20 0 GHADHO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000285989068 912528153 /nfs/dbraw/zinc/52/81/53/912528153.db2.gz IAEWBJLXSSYPCX-TZRRMPRUSA-N 1 3 383.580 3.525 20 0 GHADHO CCCCCN(C)c1ccc(F)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000531609858 880181946 /nfs/dbraw/zinc/18/19/46/880181946.db2.gz FTFSRWPOCXRALV-UHFFFAOYSA-N 1 3 379.564 3.777 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(Cl)cc2)N(C)C)[C@@H](C)C1 ZINC000531738427 880367334 /nfs/dbraw/zinc/36/73/34/880367334.db2.gz RHGSIDGDLDOWOE-YYWHXJBOSA-N 1 3 381.992 3.669 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(Cl)cc2)N(C)C)[C@@H](C)C1 ZINC000531738427 880367347 /nfs/dbraw/zinc/36/73/47/880367347.db2.gz RHGSIDGDLDOWOE-YYWHXJBOSA-N 1 3 381.992 3.669 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)[C@@H](C)C1 ZINC000453131564 880523604 /nfs/dbraw/zinc/52/36/04/880523604.db2.gz VLJCJDPLLMLRAO-ZVDOUQERSA-N 1 3 384.568 3.875 20 0 GHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000186503517 880902858 /nfs/dbraw/zinc/90/28/58/880902858.db2.gz SPPOWGWEGQIVET-MNEFBYGVSA-N 1 3 383.374 3.859 20 0 GHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000186503517 880902871 /nfs/dbraw/zinc/90/28/71/880902871.db2.gz SPPOWGWEGQIVET-MNEFBYGVSA-N 1 3 383.374 3.859 20 0 GHADHO CCCCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1OCC ZINC000532015851 880926318 /nfs/dbraw/zinc/92/63/18/880926318.db2.gz APHFHKREFVCHFS-LEWJYISDSA-N 1 3 390.568 3.732 20 0 GHADHO CN(C)C(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000499150328 881304754 /nfs/dbraw/zinc/30/47/54/881304754.db2.gz WGHXJNFFBKRAIR-XQUALCHDSA-N 1 3 391.559 3.991 20 0 GHADHO CC(=O)N(C)c1ccc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000858496704 883150638 /nfs/dbraw/zinc/15/06/38/883150638.db2.gz BBPCNPDIOYWTKK-IBGZPJMESA-N 1 3 379.548 3.855 20 0 GHADHO CC1CCN([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)c2cccs2)CC1 ZINC000195302467 883265967 /nfs/dbraw/zinc/26/59/67/883265967.db2.gz HTBYBRZQFSKVLD-IBGZPJMESA-N 1 3 375.582 3.512 20 0 GHADHO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000476949435 883429357 /nfs/dbraw/zinc/42/93/57/883429357.db2.gz FJVNYWGSZRTZMQ-XXBNENTESA-N 1 3 394.563 3.773 20 0 GHADHO C[NH+](C)Cc1ccc(CNCc2cccc(I)c2)cc1 ZINC000551223589 883517290 /nfs/dbraw/zinc/51/72/90/883517290.db2.gz YCULIFXKEKASNT-UHFFFAOYSA-N 1 3 380.273 3.643 20 0 GHADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCc3ccc(Br)cc32)ccn1 ZINC000193997072 883622618 /nfs/dbraw/zinc/62/26/18/883622618.db2.gz BTOLDDDOZMUEMR-GOSISDBHSA-N 1 3 390.325 3.562 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCCCCCNC(=O)OC(C)(C)C ZINC001168284962 884563793 /nfs/dbraw/zinc/56/37/93/884563793.db2.gz PTCHBAORTSULCG-AABGKKOBSA-N 1 3 397.604 3.645 20 0 GHADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455870761 884642126 /nfs/dbraw/zinc/64/21/26/884642126.db2.gz XJTZVZMHVIGUCJ-JTSKRJEESA-N 1 3 380.536 3.878 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455870763 884642466 /nfs/dbraw/zinc/64/24/66/884642466.db2.gz XJTZVZMHVIGUCJ-VGSWGCGISA-N 1 3 380.536 3.878 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000498566878 884854139 /nfs/dbraw/zinc/85/41/39/884854139.db2.gz KBONTXLDAIKAPM-LJQANCHMSA-N 1 3 379.548 3.910 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000498566878 884854161 /nfs/dbraw/zinc/85/41/61/884854161.db2.gz KBONTXLDAIKAPM-LJQANCHMSA-N 1 3 379.548 3.910 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000532507323 885844171 /nfs/dbraw/zinc/84/41/71/885844171.db2.gz ZUKBSDKCKWQEEQ-XRHLQHRESA-N 1 3 386.561 3.749 20 0 GHADHO Cc1ccc(CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(C)C)s1 ZINC000102013617 885964862 /nfs/dbraw/zinc/96/48/62/885964862.db2.gz TYZHLKCTQVWTJI-UHFFFAOYSA-N 1 3 392.613 3.535 20 0 GHADHO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000532682579 887719208 /nfs/dbraw/zinc/71/92/08/887719208.db2.gz CYFURWWODDWJAY-JOCHJYFZSA-N 1 3 392.547 3.837 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000809948789 888014385 /nfs/dbraw/zinc/01/43/85/888014385.db2.gz MYJSZNNFZUFZEK-UFYCRDLUSA-N 1 3 379.589 3.735 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000809948789 888014399 /nfs/dbraw/zinc/01/43/99/888014399.db2.gz MYJSZNNFZUFZEK-UFYCRDLUSA-N 1 3 379.589 3.735 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000054719172 888034236 /nfs/dbraw/zinc/03/42/36/888034236.db2.gz YSPGIVWSDZCPTG-RBBKRZOGSA-N 1 3 386.584 3.633 20 0 GHADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001184451199 913229667 /nfs/dbraw/zinc/22/96/67/913229667.db2.gz OILAMIRFABZVEJ-FGZHOGPDSA-N 1 3 379.548 3.602 20 0 GHADHO C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2F)[C@H]1c1cccs1 ZINC000644573949 913374469 /nfs/dbraw/zinc/37/44/69/913374469.db2.gz BDGLXVOPHDQKCK-QRWLVFNGSA-N 1 3 375.513 3.889 20 0 GHADHO C[N@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2F)[C@H]1c1cccs1 ZINC000644573949 913374496 /nfs/dbraw/zinc/37/44/96/913374496.db2.gz BDGLXVOPHDQKCK-QRWLVFNGSA-N 1 3 375.513 3.889 20 0 GHADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000533407181 890470690 /nfs/dbraw/zinc/47/06/90/890470690.db2.gz PYKJBCDMADKTGI-UHFFFAOYSA-N 1 3 382.346 3.582 20 0 GHADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000812855495 891050026 /nfs/dbraw/zinc/05/00/26/891050026.db2.gz FSCOZPUVUPQROH-NRFANRHFSA-N 1 3 379.520 3.558 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC000873282701 891560191 /nfs/dbraw/zinc/56/01/91/891560191.db2.gz LIFBKUYAHZKPGH-GOSISDBHSA-N 1 3 375.520 3.601 20 0 GHADHO O=C(NC[C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261775014 892108037 /nfs/dbraw/zinc/10/80/37/892108037.db2.gz GYYJXXFUQYIQGS-HOCLYGCPSA-N 1 3 391.968 3.635 20 0 GHADHO CC1CCN([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c2cccs2)CC1 ZINC000263108257 892437108 /nfs/dbraw/zinc/43/71/08/892437108.db2.gz DEIGPEYOSMIRSE-PPAWOBCPSA-N 1 3 389.609 3.791 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000162498101 892604847 /nfs/dbraw/zinc/60/48/47/892604847.db2.gz QNMNWOBODQLILP-INIZCTEOSA-N 1 3 381.520 3.708 20 0 GHADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000508709214 892801244 /nfs/dbraw/zinc/80/12/44/892801244.db2.gz GQOPFFKNXBISKH-DPLHUUCSSA-N 1 3 377.576 3.933 20 0 GHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000536695844 893562921 /nfs/dbraw/zinc/56/29/21/893562921.db2.gz AVZXXWDGWUMZEY-HSZRJFAPSA-N 1 3 398.595 3.789 20 0 GHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc(C(C)(C)O)cc2)CC1 ZINC000187502948 893761761 /nfs/dbraw/zinc/76/17/61/893761761.db2.gz CHVMQWCYUHXBFS-UHFFFAOYSA-N 1 3 387.955 3.609 20 0 GHADHO O[C@@H]1CCN(CC(C[N@@H+]2CC[C@@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722372 894536038 /nfs/dbraw/zinc/53/60/38/894536038.db2.gz FSTCTIAQLCPISK-FGZHOGPDSA-N 1 3 390.612 3.552 20 0 GHADHO O[C@@H]1CCN(CC(C[N@H+]2CC[C@@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722372 894536049 /nfs/dbraw/zinc/53/60/49/894536049.db2.gz FSTCTIAQLCPISK-FGZHOGPDSA-N 1 3 390.612 3.552 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C(C)C)c4ccccc43)CC2)CC1 ZINC000565200896 895457759 /nfs/dbraw/zinc/45/77/59/895457759.db2.gz ZDWUSKYSELCCFO-JOCHJYFZSA-N 1 3 383.580 3.969 20 0 GHADHO CC[C@@H](C)Oc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000565726522 895835359 /nfs/dbraw/zinc/83/53/59/895835359.db2.gz ZITFDRHOJBLTJJ-GOSISDBHSA-N 1 3 387.568 3.999 20 0 GHADHO O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1Cl ZINC000817905486 895956461 /nfs/dbraw/zinc/95/64/61/895956461.db2.gz NZRGQELUFSHRKN-GGPKGHCWSA-N 1 3 393.314 3.872 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000565884747 895957448 /nfs/dbraw/zinc/95/74/48/895957448.db2.gz LAUZCTNMVXFZAM-LJQANCHMSA-N 1 3 376.541 3.671 20 0 GHADHO [NH3+]CCc1ccc(CN[C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000817947662 895974086 /nfs/dbraw/zinc/97/40/86/895974086.db2.gz FCVOVIDGEVEPDQ-GOSISDBHSA-N 1 3 375.310 3.954 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C)CCC(C)(C)CC3)CC2)CC1 ZINC000566467900 896327863 /nfs/dbraw/zinc/32/78/63/896327863.db2.gz YDGQVNZKMDSYSG-UHFFFAOYSA-N 1 3 377.617 3.905 20 0 GHADHO C[NH+](C)CC[C@H](NC[C@H](O)c1ccc(F)c(Br)c1)C(C)(C)C ZINC000819080747 896365012 /nfs/dbraw/zinc/36/50/12/896365012.db2.gz IDMHQLZGMFPLSP-HOTGVXAUSA-N 1 3 375.326 3.578 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000819326689 896570904 /nfs/dbraw/zinc/57/09/04/896570904.db2.gz UMOOVFMYXIIUHK-NHYNNZIHSA-N 1 3 382.523 3.904 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000819326689 896570918 /nfs/dbraw/zinc/57/09/18/896570918.db2.gz UMOOVFMYXIIUHK-NHYNNZIHSA-N 1 3 382.523 3.904 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4sc(Cl)cc43)CC2)CC1 ZINC000567059574 896839362 /nfs/dbraw/zinc/83/93/62/896839362.db2.gz ANFILLXNGLYPLJ-KRWDZBQOSA-N 1 3 396.000 3.701 20 0 GHADHO O=C1NCCN1c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000883281650 897442296 /nfs/dbraw/zinc/44/22/96/897442296.db2.gz UADIQRLPHQAXMF-NRFANRHFSA-N 1 3 390.531 3.503 20 0 GHADHO O=C1NCCN1c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000883281650 897442300 /nfs/dbraw/zinc/44/23/00/897442300.db2.gz UADIQRLPHQAXMF-NRFANRHFSA-N 1 3 390.531 3.503 20 0 GHADHO FC(F)(F)CCN1CCC(Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883346923 897518270 /nfs/dbraw/zinc/51/82/70/897518270.db2.gz JLUITMVBAXTRDC-HXUWFJFHSA-N 1 3 396.501 3.800 20 0 GHADHO FC(F)(F)CCN1CCC(Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883346923 897518284 /nfs/dbraw/zinc/51/82/84/897518284.db2.gz JLUITMVBAXTRDC-HXUWFJFHSA-N 1 3 396.501 3.800 20 0 GHADHO C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820808260 897536343 /nfs/dbraw/zinc/53/63/43/897536343.db2.gz BTSGOXGJCCKXSH-VGSWGCGISA-N 1 3 381.520 3.717 20 0 GHADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000109788752 898592243 /nfs/dbraw/zinc/59/22/43/898592243.db2.gz BPQPZNIHPSJIMC-UHFFFAOYSA-N 1 3 397.567 3.624 20 0 GHADHO C[C@@H](CNC1CC[NH+](CC2CCCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000823748171 899230168 /nfs/dbraw/zinc/23/01/68/899230168.db2.gz SQQVHBPSZWSZEJ-SFHVURJKSA-N 1 3 392.609 3.828 20 0 GHADHO C[C@@H](C[NH2+]C1CCN(CC2CCCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000823748171 899230182 /nfs/dbraw/zinc/23/01/82/899230182.db2.gz SQQVHBPSZWSZEJ-SFHVURJKSA-N 1 3 392.609 3.828 20 0 GHADHO C[NH+](C)Cc1cccc(CNCc2c[nH]c(C(=O)OCc3ccccc3)c2)c1 ZINC000824081204 899385045 /nfs/dbraw/zinc/38/50/45/899385045.db2.gz TZHXPDHOUONQSC-UHFFFAOYSA-N 1 3 377.488 3.723 20 0 GHADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000824383933 899576335 /nfs/dbraw/zinc/57/63/35/899576335.db2.gz WNOHEVMEUMSUNC-OALUTQOASA-N 1 3 385.552 3.551 20 0 GHADHO C[C@@H]1CCCCN1Cc1ccccc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000571109635 899743289 /nfs/dbraw/zinc/74/32/89/899743289.db2.gz JYPZNGZPQBDRJP-QMMLZNLJSA-N 1 3 378.582 3.506 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cncc(Cl)c1)CC2 ZINC001136992274 899995486 /nfs/dbraw/zinc/99/54/86/899995486.db2.gz DXAOHEQPEZPMIV-OAQYLSRUSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cncc(Cl)c1)CC2 ZINC001136992274 899995492 /nfs/dbraw/zinc/99/54/92/899995492.db2.gz DXAOHEQPEZPMIV-OAQYLSRUSA-N 1 3 385.939 3.991 20 0 GHADHO CC[C@H](c1ccncc1)N(CC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000572376012 900162988 /nfs/dbraw/zinc/16/29/88/900162988.db2.gz AOEGFQRSHOCNSM-JOCHJYFZSA-N 1 3 386.584 3.578 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000289950453 914445588 /nfs/dbraw/zinc/44/55/88/914445588.db2.gz PENFWKNOJWLRJP-ICSRJNTNSA-N 1 3 388.552 3.812 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000289950453 914445595 /nfs/dbraw/zinc/44/55/95/914445595.db2.gz PENFWKNOJWLRJP-ICSRJNTNSA-N 1 3 388.552 3.812 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)c3ccc(C)cc3)CC2)CC1 ZINC000574528749 900916285 /nfs/dbraw/zinc/91/62/85/900916285.db2.gz MVKCCSNLDOZSPQ-UHFFFAOYSA-N 1 3 385.596 3.585 20 0 GHADHO CCC1(N2CCC2)CC[NH+](CCCCOc2c(OC)cccc2OC)CC1 ZINC000886717532 901245633 /nfs/dbraw/zinc/24/56/33/901245633.db2.gz BPADVJZEGNIFQY-UHFFFAOYSA-N 1 3 376.541 3.813 20 0 GHADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccc1SC ZINC000090525794 901433964 /nfs/dbraw/zinc/43/39/64/901433964.db2.gz USDPIIVTGVKICV-IPELMVKDSA-N 1 3 378.582 3.836 20 0 GHADHO Cc1ccc([C@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)N(C)C)cc1 ZINC000575991296 901559961 /nfs/dbraw/zinc/55/99/61/901559961.db2.gz PNYULRVJVOSKOE-QHCPKHFHSA-N 1 3 379.548 3.570 20 0 GHADHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(CO)c1 ZINC000121663049 901654242 /nfs/dbraw/zinc/65/42/42/901654242.db2.gz ZNJDBMGYWUDQHV-IBGZPJMESA-N 1 3 398.547 3.519 20 0 GHADHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(CO)c1 ZINC000121663049 901654251 /nfs/dbraw/zinc/65/42/51/901654251.db2.gz ZNJDBMGYWUDQHV-IBGZPJMESA-N 1 3 398.547 3.519 20 0 GHADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(OC(F)F)ccc2Br)C1 ZINC001202748507 901922085 /nfs/dbraw/zinc/92/20/85/901922085.db2.gz BIERAZUIKNVHHV-LBPRGKRZSA-N 1 3 377.273 3.872 20 0 GHADHO C[N@H+]1CCC[C@@H](CCNCc2cc(OC(F)F)ccc2Br)C1 ZINC001202748507 901922089 /nfs/dbraw/zinc/92/20/89/901922089.db2.gz BIERAZUIKNVHHV-LBPRGKRZSA-N 1 3 377.273 3.872 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000577364097 902715502 /nfs/dbraw/zinc/71/55/02/902715502.db2.gz VSLWOJQUMBJSBG-LJQANCHMSA-N 1 3 380.964 3.506 20 0 GHADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000577790989 903196712 /nfs/dbraw/zinc/19/67/12/903196712.db2.gz XBTDLWNWJCTBMK-ZWKOTPCHSA-N 1 3 380.602 3.549 20 0 GHADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000577790989 903196721 /nfs/dbraw/zinc/19/67/21/903196721.db2.gz XBTDLWNWJCTBMK-ZWKOTPCHSA-N 1 3 380.602 3.549 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC001146978158 903652679 /nfs/dbraw/zinc/65/26/79/903652679.db2.gz QTHORAWRBATYCC-KRWDZBQOSA-N 1 3 379.976 3.540 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC001146978158 903652682 /nfs/dbraw/zinc/65/26/82/903652682.db2.gz QTHORAWRBATYCC-KRWDZBQOSA-N 1 3 379.976 3.540 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(C)(C)c3ccccc3)CC2)CC1 ZINC000578519934 903929551 /nfs/dbraw/zinc/92/95/51/903929551.db2.gz LHLGCRAIMZSTCN-LJQANCHMSA-N 1 3 385.596 3.665 20 0 GHADHO C[C@H]1CCN(C(=O)c2cccc(CC[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC001148249620 904016469 /nfs/dbraw/zinc/01/64/69/904016469.db2.gz JMYRMGDRSBTWMP-FQEVSTJZSA-N 1 3 379.548 3.527 20 0 GHADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000578985365 904277645 /nfs/dbraw/zinc/27/76/45/904277645.db2.gz UEICZSWOOZLTLX-SJLPKXTDSA-N 1 3 399.501 3.621 20 0 GHADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000773001838 904355203 /nfs/dbraw/zinc/35/52/03/904355203.db2.gz SPIYJHYXMRDSFK-QHCPKHFHSA-N 1 3 377.532 3.598 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370332 904368672 /nfs/dbraw/zinc/36/86/72/904368672.db2.gz JRJWXTTXNRIKRG-KKLQWCBXSA-N 1 3 390.518 3.502 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370332 904368690 /nfs/dbraw/zinc/36/86/90/904368690.db2.gz JRJWXTTXNRIKRG-KKLQWCBXSA-N 1 3 390.518 3.502 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(C(C)C)cc3)CC2)CC1 ZINC000579371732 904550521 /nfs/dbraw/zinc/55/05/21/904550521.db2.gz WFGXLHYAGTUVCG-UHFFFAOYSA-N 1 3 385.596 3.965 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccccc2Cl)CC1 ZINC000579465373 904629651 /nfs/dbraw/zinc/62/96/51/904629651.db2.gz VWBDFPADQAIVKU-XLIONFOSSA-N 1 3 388.939 3.895 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(Cc3ccccc3)C(C)C)CC2)CC1 ZINC001171556747 904828029 /nfs/dbraw/zinc/82/80/29/904828029.db2.gz IGNZIAHOUCGRRQ-VWLOTQADSA-N 1 3 399.623 3.956 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@H](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171628700 904851755 /nfs/dbraw/zinc/85/17/55/904851755.db2.gz GXGMOXFNMKRLGA-GOSISDBHSA-N 1 3 379.589 3.873 20 0 GHADHO C[NH+]1C(C)(C)CC(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1(C)C ZINC001171638115 904928189 /nfs/dbraw/zinc/92/81/89/904928189.db2.gz RVXDBDSVKNSSJT-GHTZIAJQSA-N 1 3 389.559 3.614 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)CC1(C)C ZINC001171638396 904928240 /nfs/dbraw/zinc/92/82/40/904928240.db2.gz VICUSNCNJYFQOM-FQEVSTJZSA-N 1 3 383.580 3.776 20 0 GHADHO COc1ccc(C[C@H](CO)N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977366 905222270 /nfs/dbraw/zinc/22/22/70/905222270.db2.gz AYGQCCMKZZMFMS-FGZHOGPDSA-N 1 3 382.548 3.631 20 0 GHADHO COc1ccc(C[C@H](CO)N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977366 905222282 /nfs/dbraw/zinc/22/22/82/905222282.db2.gz AYGQCCMKZZMFMS-FGZHOGPDSA-N 1 3 382.548 3.631 20 0 GHADHO CC1(C)C[C@@H](NCCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171984445 905240741 /nfs/dbraw/zinc/24/07/41/905240741.db2.gz VULWMYOYKYNJPO-QFIPXVFZSA-N 1 3 391.559 3.999 20 0 GHADHO CC1(C)C[C@@H](NCCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171984445 905240763 /nfs/dbraw/zinc/24/07/63/905240763.db2.gz VULWMYOYKYNJPO-QFIPXVFZSA-N 1 3 391.559 3.999 20 0 GHADHO O[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061130 905266781 /nfs/dbraw/zinc/26/67/81/905266781.db2.gz FRJFVCPDKXQIRQ-KAOXLYBCSA-N 1 3 380.532 3.602 20 0 GHADHO O[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061130 905266797 /nfs/dbraw/zinc/26/67/97/905266797.db2.gz FRJFVCPDKXQIRQ-KAOXLYBCSA-N 1 3 380.532 3.602 20 0 GHADHO O[C@]1(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071922 905276744 /nfs/dbraw/zinc/27/67/44/905276744.db2.gz JMTDMKPJYTXTDF-FUCAVZNHSA-N 1 3 392.543 3.832 20 0 GHADHO O[C@]1(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071922 905276760 /nfs/dbraw/zinc/27/67/60/905276760.db2.gz JMTDMKPJYTXTDF-FUCAVZNHSA-N 1 3 392.543 3.832 20 0 GHADHO CCC(=O)N(C)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172089943 905308224 /nfs/dbraw/zinc/30/82/24/905308224.db2.gz SZNKPSOQUDMRCN-JKHIJQBDSA-N 1 3 383.580 3.905 20 0 GHADHO CCC(=O)N(C)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172089943 905308240 /nfs/dbraw/zinc/30/82/40/905308240.db2.gz SZNKPSOQUDMRCN-JKHIJQBDSA-N 1 3 383.580 3.905 20 0 GHADHO COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Br)cc1 ZINC001172111836 905358404 /nfs/dbraw/zinc/35/84/04/905358404.db2.gz WTYPGBUEOCFZCV-MHORFTMASA-N 1 3 395.341 3.658 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001172113489 905364863 /nfs/dbraw/zinc/36/48/63/905364863.db2.gz HTILNXCBOGIHOL-VWPFQQQWSA-N 1 3 376.850 3.997 20 0 GHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172524331 905584822 /nfs/dbraw/zinc/58/48/22/905584822.db2.gz YBRDKGANHHDSHQ-LHGONGGSSA-N 1 3 383.580 3.780 20 0 GHADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172686632 905738644 /nfs/dbraw/zinc/73/86/44/905738644.db2.gz FRUMQPOBCKGGKC-QHCPKHFHSA-N 1 3 383.580 3.907 20 0 GHADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172686632 905738649 /nfs/dbraw/zinc/73/86/49/905738649.db2.gz FRUMQPOBCKGGKC-QHCPKHFHSA-N 1 3 383.580 3.907 20 0 GHADHO O=C1C[C@@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)CCN1Cc1ccccc1 ZINC001172668617 905753733 /nfs/dbraw/zinc/75/37/33/905753733.db2.gz MVTNDKSMCMFVKA-REWPJTCUSA-N 1 3 381.564 3.588 20 0 GHADHO C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCOC2=O)cc1 ZINC000177752542 906210417 /nfs/dbraw/zinc/21/04/17/906210417.db2.gz DNVGKAIPSUVOCJ-QZTJIDSGSA-N 1 3 397.519 3.995 20 0 GHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000177978120 906258126 /nfs/dbraw/zinc/25/81/26/906258126.db2.gz PSICEJFDDVUNMN-KRWDZBQOSA-N 1 3 389.565 3.749 20 0 GHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000177978120 906258140 /nfs/dbraw/zinc/25/81/40/906258140.db2.gz PSICEJFDDVUNMN-KRWDZBQOSA-N 1 3 389.565 3.749 20 0 GHADHO OC1CC[NH+](CCCN[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000178522700 906354946 /nfs/dbraw/zinc/35/49/46/906354946.db2.gz ZGACSPLBCHCIJC-SFHVURJKSA-N 1 3 389.540 3.763 20 0 GHADHO C[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ncc(Br)s1 ZINC000179468688 906507207 /nfs/dbraw/zinc/50/72/07/906507207.db2.gz SRLDCLMBCKFUFY-LBPRGKRZSA-N 1 3 381.343 3.868 20 0 GHADHO Cc1cc(N2CCN(C3C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C3)CC2)cc[nH+]1 ZINC001173683985 906623575 /nfs/dbraw/zinc/62/35/75/906623575.db2.gz PULIHAZUKFHKHZ-QZTJIDSGSA-N 1 3 388.556 3.689 20 0 GHADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000365999743 921280096 /nfs/dbraw/zinc/28/00/96/921280096.db2.gz LUMOXUIGAWBODP-UGKGYDQZSA-N 1 3 379.548 3.873 20 0 GHADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000365999743 921280097 /nfs/dbraw/zinc/28/00/97/921280097.db2.gz LUMOXUIGAWBODP-UGKGYDQZSA-N 1 3 379.548 3.873 20 0 GHADHO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000183185938 907346327 /nfs/dbraw/zinc/34/63/27/907346327.db2.gz UQTYRWQQPZOAPC-ARFHVFGLSA-N 1 3 378.948 3.695 20 0 GHADHO C[C@@H](N[C@@H](C)CC(=O)Nc1cccnc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183185938 907346345 /nfs/dbraw/zinc/34/63/45/907346345.db2.gz UQTYRWQQPZOAPC-ARFHVFGLSA-N 1 3 378.948 3.695 20 0 GHADHO C[C@@H](N[C@@H](C)CC(=O)Nc1cccnc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185938 907346361 /nfs/dbraw/zinc/34/63/61/907346361.db2.gz UQTYRWQQPZOAPC-ARFHVFGLSA-N 1 3 378.948 3.695 20 0 GHADHO Cc1cc(N2CCN(C)CC2)ccc1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175505494 907594641 /nfs/dbraw/zinc/59/46/41/907594641.db2.gz FHDYJILUSVLWCD-UHFFFAOYSA-N 1 3 376.548 3.949 20 0 GHADHO Cc1cc(N2CCN(C)CC2)ccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505494 907594655 /nfs/dbraw/zinc/59/46/55/907594655.db2.gz FHDYJILUSVLWCD-UHFFFAOYSA-N 1 3 376.548 3.949 20 0 GHADHO C[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ncc(Br)cc1F ZINC000187315328 908074415 /nfs/dbraw/zinc/07/44/15/908074415.db2.gz ORGQMNOHGYPJAF-CYBMUJFWSA-N 1 3 393.304 3.945 20 0 GHADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135400 908970777 /nfs/dbraw/zinc/97/07/77/908970777.db2.gz BHHAMJFUFNEHQU-PZJWPPBQSA-N 1 3 377.532 3.986 20 0 GHADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135400 908970790 /nfs/dbraw/zinc/97/07/90/908970790.db2.gz BHHAMJFUFNEHQU-PZJWPPBQSA-N 1 3 377.532 3.986 20 0 GHADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178593470 909116058 /nfs/dbraw/zinc/11/60/58/909116058.db2.gz XNQOFGWWZLKRLB-FQEVSTJZSA-N 1 3 391.559 3.556 20 0 GHADHO C[N@H+]1CCC[C@@H](CCNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178593470 909116064 /nfs/dbraw/zinc/11/60/64/909116064.db2.gz XNQOFGWWZLKRLB-FQEVSTJZSA-N 1 3 391.559 3.556 20 0 GHADHO OC1(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CCN(Cc2ccccc2)CC1 ZINC001178962482 909333770 /nfs/dbraw/zinc/33/37/70/909333770.db2.gz IJQNAWLKTAJRAB-UHFFFAOYSA-N 1 3 378.438 3.880 20 0 GHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000245667496 909816646 /nfs/dbraw/zinc/81/66/46/909816646.db2.gz BPZPNQIQGWZNSS-IYWMVGAKSA-N 1 3 379.589 3.876 20 0 GHADHO CCOC(=O)N1CCC(C)(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001180031110 909900598 /nfs/dbraw/zinc/90/05/98/909900598.db2.gz VKCIRDXUVSWBHG-HXUWFJFHSA-N 1 3 379.589 3.689 20 0 GHADHO C[C@H]1C[C@@H](NCc2cccc(CN3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268832562 910038005 /nfs/dbraw/zinc/03/80/05/910038005.db2.gz RGRHIQUKYSHYIT-RDPSFJRHSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@H]1C[C@@H](NCc2cccc(CN3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000268832562 910038020 /nfs/dbraw/zinc/03/80/20/910038020.db2.gz RGRHIQUKYSHYIT-RDPSFJRHSA-N 1 3 391.559 3.952 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1OCC(=O)N(C)C ZINC000268909382 910066037 /nfs/dbraw/zinc/06/60/37/910066037.db2.gz NUQCNARUTFMKGC-JOCHJYFZSA-N 1 3 397.563 3.846 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccccc1OCC(=O)N(C)C ZINC000268909382 910066050 /nfs/dbraw/zinc/06/60/50/910066050.db2.gz NUQCNARUTFMKGC-JOCHJYFZSA-N 1 3 397.563 3.846 20 0 GHADHO c1ccc(C(CN2CCC3(CCOC3)CC2)C[NH+]2CCC3(CCOC3)CC2)cc1 ZINC000639552345 910505221 /nfs/dbraw/zinc/50/52/21/910505221.db2.gz WSGKIJYSUWEPTD-UHFFFAOYSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc([C@@H](CN2CC[C@@]3(C2)CCCOC3)C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000639633400 910576390 /nfs/dbraw/zinc/57/63/90/910576390.db2.gz YRSGVVOWGJAAOC-QEIWAGNOSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc([C@@H](CN2CC[C@@]3(C2)CCCOC3)C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000639633400 910576400 /nfs/dbraw/zinc/57/64/00/910576400.db2.gz YRSGVVOWGJAAOC-QEIWAGNOSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc([C@H](CN2CC[C@]3(C2)CCCOC3)C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000639633400 910576403 /nfs/dbraw/zinc/57/64/03/910576403.db2.gz YRSGVVOWGJAAOC-QEIWAGNOSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc([C@H](CN2CC[C@]3(C2)CCCOC3)C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000639633400 910576414 /nfs/dbraw/zinc/57/64/14/910576414.db2.gz YRSGVVOWGJAAOC-QEIWAGNOSA-N 1 3 398.591 3.775 20 0 GHADHO C[NH+](C)Cc1ccc(CN2CCC[C@@]3(CCSC3)C2)c2c1OC(F)(F)O2 ZINC001182325664 911488275 /nfs/dbraw/zinc/48/82/75/911488275.db2.gz CAWGCJRQTADLMI-GOSISDBHSA-N 1 3 384.492 3.789 20 0 GHADHO CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000646947388 914943852 /nfs/dbraw/zinc/94/38/52/914943852.db2.gz YTADPAODSXGCQC-HJOGWXRNSA-N 1 3 391.559 3.503 20 0 GHADHO CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000646947388 914943857 /nfs/dbraw/zinc/94/38/57/914943857.db2.gz YTADPAODSXGCQC-HJOGWXRNSA-N 1 3 391.559 3.503 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000796358020 914965683 /nfs/dbraw/zinc/96/56/83/914965683.db2.gz PPTKZQYPCRJWCC-RUZDIDTESA-N 1 3 395.591 3.638 20 0 GHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000796358020 914965693 /nfs/dbraw/zinc/96/56/93/914965693.db2.gz PPTKZQYPCRJWCC-RUZDIDTESA-N 1 3 395.591 3.638 20 0 GHADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1C ZINC000647344377 915167085 /nfs/dbraw/zinc/16/70/85/915167085.db2.gz PJUXUKIUDAZHAR-QIJUGHKUSA-N 1 3 379.548 3.956 20 0 GHADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1C ZINC000647344377 915167093 /nfs/dbraw/zinc/16/70/93/915167093.db2.gz PJUXUKIUDAZHAR-QIJUGHKUSA-N 1 3 379.548 3.956 20 0 GHADHO CSc1ccc([C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)N(C)C)cc1 ZINC000647578137 915331189 /nfs/dbraw/zinc/33/11/89/915331189.db2.gz XVUKDKMBWSGMIT-FQEVSTJZSA-N 1 3 377.598 3.782 20 0 GHADHO CSc1ccc([C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)N(C)C)cc1 ZINC000647578137 915331199 /nfs/dbraw/zinc/33/11/99/915331199.db2.gz XVUKDKMBWSGMIT-FQEVSTJZSA-N 1 3 377.598 3.782 20 0 GHADHO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979573 915462055 /nfs/dbraw/zinc/46/20/55/915462055.db2.gz ZKXUTIMGBXTZLS-ZRCGQRJVSA-N 1 3 393.531 3.615 20 0 GHADHO CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000362032560 917043330 /nfs/dbraw/zinc/04/33/30/917043330.db2.gz NOHPODZJWHPUCQ-VGOFRKELSA-N 1 3 381.520 3.776 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)cc1CN1CCCCC1 ZINC000775383038 917313841 /nfs/dbraw/zinc/31/38/41/917313841.db2.gz UCSLCNDCFCBBOA-KRWDZBQOSA-N 1 3 391.556 3.856 20 0 GHADHO CNC(=O)C1CCC([NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1 ZINC000775382877 917315363 /nfs/dbraw/zinc/31/53/63/917315363.db2.gz PXVXWIGHDBODEZ-MPQSDHOMSA-N 1 3 387.568 3.637 20 0 GHADHO C[C@@]1(O)CCCN(Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@](C)(O)CC3)c2)CC1 ZINC000295875480 917567334 /nfs/dbraw/zinc/56/73/34/917567334.db2.gz CYOBUCASRBJIHX-FGZHOGPDSA-N 1 3 394.987 3.814 20 0 GHADHO C[C@@]1(O)CCCN(Cc2cc(Cl)cc(C[N@H+]3CCC[C@@](C)(O)CC3)c2)CC1 ZINC000295875480 917567337 /nfs/dbraw/zinc/56/73/37/917567337.db2.gz CYOBUCASRBJIHX-FGZHOGPDSA-N 1 3 394.987 3.814 20 0 GHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC001191453529 917984634 /nfs/dbraw/zinc/98/46/34/917984634.db2.gz HCSWFIJBUBPUHL-FQEVSTJZSA-N 1 3 391.556 3.966 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3CCC(C)C)cc2)CC1 ZINC001192174232 918523171 /nfs/dbraw/zinc/52/31/71/918523171.db2.gz PRVAQLHTOHYYHV-OAQYLSRUSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3CCC(C)C)cc2)CC1 ZINC001192174232 918523176 /nfs/dbraw/zinc/52/31/76/918523176.db2.gz PRVAQLHTOHYYHV-OAQYLSRUSA-N 1 3 386.584 3.668 20 0 GHADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902504209 922243988 /nfs/dbraw/zinc/24/39/88/922243988.db2.gz MPAKQIUSBVAPSF-CCQPRUGESA-N 1 3 391.515 3.823 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(-n2ccnc2)c1 ZINC000903050044 922730039 /nfs/dbraw/zinc/73/00/39/922730039.db2.gz ONORMSXWBQHOSI-IBGZPJMESA-N 1 3 375.520 3.830 20 0 GHADHO COc1cc(C[NH2+]C[C@@H]2CNCCC2(F)F)ccc1OCc1ccc(F)cc1 ZINC000903957003 923435138 /nfs/dbraw/zinc/43/51/38/923435138.db2.gz OVBAPZVLKAEKQV-KRWDZBQOSA-N 1 3 394.437 3.748 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]C[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000676901460 924138291 /nfs/dbraw/zinc/13/82/91/924138291.db2.gz ZITNLCAOEYFRRP-QHCPKHFHSA-N 1 3 393.575 3.740 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001137280381 924211275 /nfs/dbraw/zinc/21/12/75/924211275.db2.gz QAZRDXFVJJZHDP-RJGXRXQPSA-N 1 3 383.580 3.764 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001137280381 924211288 /nfs/dbraw/zinc/21/12/88/924211288.db2.gz QAZRDXFVJJZHDP-RJGXRXQPSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@H]1C[C@@H](N(C)Cc2ccccc2-n2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000678259979 924692344 /nfs/dbraw/zinc/69/23/44/924692344.db2.gz OKYPHCZFRWZWLG-UGKGYDQZSA-N 1 3 375.520 3.752 20 0 GHADHO C[C@H]1C[C@@H](N(C)Cc2ccccc2-n2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000678259979 924692350 /nfs/dbraw/zinc/69/23/50/924692350.db2.gz OKYPHCZFRWZWLG-UGKGYDQZSA-N 1 3 375.520 3.752 20 0 GHADHO CC(C)(C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000678729877 924899197 /nfs/dbraw/zinc/89/91/97/924899197.db2.gz KRMYVMJUQHZNRN-UHFFFAOYSA-N 1 3 379.548 3.580 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000678926692 924975849 /nfs/dbraw/zinc/97/58/49/924975849.db2.gz KTQVIOZGOJVTPO-QHCPKHFHSA-N 1 3 395.522 3.819 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000680001176 925327676 /nfs/dbraw/zinc/32/76/76/925327676.db2.gz JZKNLVZHCLZVMK-KRWDZBQOSA-N 1 3 396.457 3.679 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000411463652 926418547 /nfs/dbraw/zinc/41/85/47/926418547.db2.gz WMYRVZNWVDWNPF-JOCHJYFZSA-N 1 3 399.966 3.814 20 0 GHADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000412196842 927197085 /nfs/dbraw/zinc/19/70/85/927197085.db2.gz CHDJJXWLIJZKJM-GMAHTHKFSA-N 1 3 381.564 3.761 20 0 GHADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000412196842 927197095 /nfs/dbraw/zinc/19/70/95/927197095.db2.gz CHDJJXWLIJZKJM-GMAHTHKFSA-N 1 3 381.564 3.761 20 0 GHADHO O=C1[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1c1cccc(Cl)c1 ZINC000749881939 927329727 /nfs/dbraw/zinc/32/97/27/927329727.db2.gz AZNSIEAIBRWPRU-QFIPXVFZSA-N 1 3 397.950 3.742 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3cnc(-c4ccccc4)s3)CC2)CC1 ZINC000375241218 928083004 /nfs/dbraw/zinc/08/30/04/928083004.db2.gz ZFEHPDYKZMZBBG-UHFFFAOYSA-N 1 3 384.593 3.660 20 0 GHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000469429270 929878515 /nfs/dbraw/zinc/87/85/15/929878515.db2.gz BHUJWXFDMXURRI-HRTMPFAESA-N 1 3 388.600 3.563 20 0 GHADHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469758459 930141037 /nfs/dbraw/zinc/14/10/37/930141037.db2.gz RFQXQAJTLPAJCA-ZZYHAFTGSA-N 1 3 393.575 3.781 20 0 GHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000469951781 930275843 /nfs/dbraw/zinc/27/58/43/930275843.db2.gz CJQAAPHHRIFHQG-UHFFFAOYSA-N 1 3 376.541 3.655 20 0 GHADHO CN1CC[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000759534227 930395261 /nfs/dbraw/zinc/39/52/61/930395261.db2.gz JPKQKDXLYKBYJZ-LIKPIUCQSA-N 1 3 384.568 3.528 20 0 GHADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000470296568 930515484 /nfs/dbraw/zinc/51/54/84/930515484.db2.gz FEVSJGJZPFZWNP-QYZOEREBSA-N 1 3 387.568 3.576 20 0 GHADHO C[C@@H]1C[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000781337781 930800991 /nfs/dbraw/zinc/80/09/91/930800991.db2.gz LMBUJGZUSDJZPI-CRAIPNDOSA-N 1 3 387.515 3.756 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000781337781 930800997 /nfs/dbraw/zinc/80/09/97/930800997.db2.gz LMBUJGZUSDJZPI-CRAIPNDOSA-N 1 3 387.515 3.756 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)N2CCCC2)cc1 ZINC000470733014 930866826 /nfs/dbraw/zinc/86/68/26/930866826.db2.gz MNQJBJDNVPYLAC-JTHBVZDNSA-N 1 3 398.595 3.505 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)N2CCCC2)cc1 ZINC000470733014 930866833 /nfs/dbraw/zinc/86/68/33/930866833.db2.gz MNQJBJDNVPYLAC-JTHBVZDNSA-N 1 3 398.595 3.505 20 0 GHADHO CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470755568 930885665 /nfs/dbraw/zinc/88/56/65/930885665.db2.gz MPCBXBURHFYSAS-FQEVSTJZSA-N 1 3 386.584 3.602 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000470769897 930897089 /nfs/dbraw/zinc/89/70/89/930897089.db2.gz VDSRBAGEMRUDMG-OHUGHZGNSA-N 1 3 396.575 3.564 20 0 GHADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470898015 931011482 /nfs/dbraw/zinc/01/14/82/931011482.db2.gz PUVYMIZBOBRRBH-KCZVDYSFSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920907 931030258 /nfs/dbraw/zinc/03/02/58/931030258.db2.gz BDHZBCYIPBUTBC-GUYCJALGSA-N 1 3 394.346 3.993 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920907 931030263 /nfs/dbraw/zinc/03/02/63/931030263.db2.gz BDHZBCYIPBUTBC-GUYCJALGSA-N 1 3 394.346 3.993 20 0 GHADHO C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc(C[NH+](C)C)c1 ZINC000924678921 931472097 /nfs/dbraw/zinc/47/20/97/931472097.db2.gz VRLGWEPTYQLRLK-CEXWTWQISA-N 1 3 382.552 3.608 20 0 GHADHO C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc(C[NH+](C)C)c1 ZINC000924678923 931472178 /nfs/dbraw/zinc/47/21/78/931472178.db2.gz VRLGWEPTYQLRLK-GUDVDZBRSA-N 1 3 382.552 3.608 20 0 GHADHO COCCCN1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000924911891 931582656 /nfs/dbraw/zinc/58/26/56/931582656.db2.gz JFRQPLNILNSPOB-CWAQXLGLSA-N 1 3 385.596 3.663 20 0 GHADHO C[C@]1(CNC(=O)c2cccc(CN3CCCC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000799014929 932853531 /nfs/dbraw/zinc/85/35/31/932853531.db2.gz LZLWPMLCUIZUCC-RUZDIDTESA-N 1 3 391.559 3.924 20 0 GHADHO C[C@]1(CNC(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014929 932853538 /nfs/dbraw/zinc/85/35/38/932853538.db2.gz LZLWPMLCUIZUCC-RUZDIDTESA-N 1 3 391.559 3.924 20 0 GHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799125413 932883527 /nfs/dbraw/zinc/88/35/27/932883527.db2.gz MYLICCZICHSFEP-QHCPKHFHSA-N 1 3 399.579 3.699 20 0 GHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799125413 932883533 /nfs/dbraw/zinc/88/35/33/932883533.db2.gz MYLICCZICHSFEP-QHCPKHFHSA-N 1 3 399.579 3.699 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176839 932897928 /nfs/dbraw/zinc/89/79/28/932897928.db2.gz CZPMGUMUDHRREY-HXUWFJFHSA-N 1 3 398.595 3.812 20 0 GHADHO CN1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000559849958 932909952 /nfs/dbraw/zinc/90/99/52/932909952.db2.gz XIFWWECGHRBEEW-XZOQPEGZSA-N 1 3 377.532 3.848 20 0 GHADHO Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000559894656 932927298 /nfs/dbraw/zinc/92/72/98/932927298.db2.gz SSYBIIJRXJSHLV-RBBKRZOGSA-N 1 3 379.548 3.969 20 0 GHADHO CCNC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000560543480 933329338 /nfs/dbraw/zinc/32/93/38/933329338.db2.gz IHFMDGGUBGZRHJ-BHIFYINESA-N 1 3 383.580 3.573 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000561067560 933834467 /nfs/dbraw/zinc/83/44/67/933834467.db2.gz KUUPJSHDIUSWPQ-UHFFFAOYSA-N 1 3 399.457 3.720 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3C[C@H]3Cc3ccccc3)CC2)CC1 ZINC001120788743 934513843 /nfs/dbraw/zinc/51/38/43/934513843.db2.gz PAXRVZRFRRYPTC-DHIUTWEWSA-N 1 3 397.607 3.568 20 0 GHADHO Cc1cccc(C)c1CN1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001137854505 935826918 /nfs/dbraw/zinc/82/69/18/935826918.db2.gz ZJIZMSPZPPMTIB-IBGZPJMESA-N 1 3 387.568 3.867 20 0 GHADHO Cc1cccc(C)c1CN1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001137854505 935826920 /nfs/dbraw/zinc/82/69/20/935826920.db2.gz ZJIZMSPZPPMTIB-IBGZPJMESA-N 1 3 387.568 3.867 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000532204667 1014559490 /nfs/dbraw/zinc/55/94/90/1014559490.db2.gz NGPPUKDAPURCGZ-CQSZACIVSA-N 1 3 379.932 3.672 20 0 GHADHO CCCCN(CC)[C@H](C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1)c1ccccc1 ZINC001220788949 1032123067 /nfs/dbraw/zinc/12/30/67/1032123067.db2.gz HMHAYEQNCIKESA-VJBWXMMDSA-N 1 3 394.563 3.712 20 0 GHADHO C[C@H](Cc1ccccc1)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227161671 1032300004 /nfs/dbraw/zinc/30/00/04/1032300004.db2.gz WBEJXSNMEDYHBF-LJQANCHMSA-N 1 3 383.580 3.881 20 0 GHADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001221445411 1032418540 /nfs/dbraw/zinc/41/85/40/1032418540.db2.gz HPKBAPNCTKUUKY-IFMALSPDSA-N 1 3 388.600 3.519 20 0 GHADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001221445411 1032418544 /nfs/dbraw/zinc/41/85/44/1032418544.db2.gz HPKBAPNCTKUUKY-IFMALSPDSA-N 1 3 388.600 3.519 20 0 GHADHO COC(=O)CCCN(Cc1ccccc1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204262980 1032706879 /nfs/dbraw/zinc/70/68/79/1032706879.db2.gz CZFPINITNNQPLK-UHFFFAOYSA-N 1 3 398.547 3.973 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(CCSC)cc3)CC2)CC1 ZINC000568528882 1019417234 /nfs/dbraw/zinc/41/72/34/1019417234.db2.gz HTTWSYIIDLDILV-UHFFFAOYSA-N 1 3 389.609 3.727 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000576816454 1020071729 /nfs/dbraw/zinc/07/17/29/1020071729.db2.gz WCLZRTUUSAQGMW-HNNXBMFYSA-N 1 3 375.340 3.586 20 0 GHADHO CC(=O)N1CCC[C@@H](C[NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000639125021 1021065271 /nfs/dbraw/zinc/06/52/71/1021065271.db2.gz XYLGRKACVXQIJV-LADGPHEKSA-N 1 3 385.596 3.773 20 0 GHADHO c1ccc(CN2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@H]3CCC[C@H]32)cc1 ZINC000834586135 1021283255 /nfs/dbraw/zinc/28/32/55/1021283255.db2.gz ZBEHTNKRKWRKAN-FQUZAXHOSA-N 1 3 397.607 3.663 20 0 GHADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](C)c2cccc(Br)c2)C1 ZINC001204593394 1032988639 /nfs/dbraw/zinc/98/86/39/1032988639.db2.gz QWZJWGZHXHSNOV-APWZRJJASA-N 1 3 383.374 3.985 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000679358934 1021993272 /nfs/dbraw/zinc/99/32/72/1021993272.db2.gz KCLXWHYTZPOFJH-UHFFFAOYSA-N 1 3 396.457 3.679 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)Nc1ccccc1 ZINC000679722142 1022044086 /nfs/dbraw/zinc/04/40/86/1022044086.db2.gz WCOGHRQELRLZSV-YMPZKCBVSA-N 1 3 377.532 3.906 20 0 GHADHO Cc1cc(I)c(CN2CCCC3(CC[NH2+]CC3)C2)cc1C ZINC001204742461 1033057651 /nfs/dbraw/zinc/05/76/51/1033057651.db2.gz OLRJGDUTRZXOLG-UHFFFAOYSA-N 1 3 398.332 3.874 20 0 GHADHO CC(C)[C@H](C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC001141189824 1024053514 /nfs/dbraw/zinc/05/35/14/1024053514.db2.gz NBFOLJJRARFINH-YADHBBJMSA-N 1 3 385.596 3.722 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(C[NH+]2C[C@@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001138136010 1024200426 /nfs/dbraw/zinc/20/04/26/1024200426.db2.gz NAHDIDPTLPQATK-SFTDATJTSA-N 1 3 395.547 3.680 20 0 GHADHO C[N@H+](Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC001139515162 1026371389 /nfs/dbraw/zinc/37/13/89/1026371389.db2.gz HBZOQFRCJSVSRP-QHCPKHFHSA-N 1 3 379.548 3.620 20 0 GHADHO C[N@@H+](Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC001139515162 1026371399 /nfs/dbraw/zinc/37/13/99/1026371399.db2.gz HBZOQFRCJSVSRP-QHCPKHFHSA-N 1 3 379.548 3.620 20 0 GHADHO COC(=O)c1cccc2[nH]cc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c21 ZINC001139720780 1026562980 /nfs/dbraw/zinc/56/29/80/1026562980.db2.gz OJGQSNBHBPSQMH-BGYRXZFFSA-N 1 3 389.499 3.518 20 0 GHADHO COC(=O)c1cccc2[nH]cc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c21 ZINC001139720780 1026562987 /nfs/dbraw/zinc/56/29/87/1026562987.db2.gz OJGQSNBHBPSQMH-BGYRXZFFSA-N 1 3 389.499 3.518 20 0 GHADHO C[NH+]1CCC(C2CCN(Cc3c[nH]c4nccc(Br)c34)CC2)CC1 ZINC001139945111 1026751009 /nfs/dbraw/zinc/75/10/09/1026751009.db2.gz YPEDGULEMSVJFD-UHFFFAOYSA-N 1 3 391.357 3.879 20 0 GHADHO CCN1C[C@H]2C[NH+](Cc3ccc(-c4cccc(Br)n4)cc3)C[C@@H]2C1 ZINC001140180725 1026953264 /nfs/dbraw/zinc/95/32/64/1026953264.db2.gz PQJYTGICPHINSE-ROUUACIJSA-N 1 3 386.337 3.895 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccc(F)cc1)CC2 ZINC001203914190 1027704189 /nfs/dbraw/zinc/70/41/89/1027704189.db2.gz KLHLCLLLZJKBQJ-JOCHJYFZSA-N 1 3 383.511 3.724 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccc(F)cc1)CC2 ZINC001203914190 1027704201 /nfs/dbraw/zinc/70/42/01/1027704201.db2.gz KLHLCLLLZJKBQJ-JOCHJYFZSA-N 1 3 383.511 3.724 20 0 GHADHO CCOc1c(Br)cc(CNCc2ccc(CC[NH3+])cc2)cc1OC ZINC000841031942 1028056950 /nfs/dbraw/zinc/05/69/50/1028056950.db2.gz DAPFZOAVZCWGJU-UHFFFAOYSA-N 1 3 393.325 3.647 20 0 GHADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CNCc1ccc(CC[NH3+])cc1 ZINC000841032746 1028057573 /nfs/dbraw/zinc/05/75/73/1028057573.db2.gz WGSCTUOSTUHIOA-UHFFFAOYSA-N 1 3 382.939 3.993 20 0 GHADHO C[C@H](CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC001222009822 1029930141 /nfs/dbraw/zinc/93/01/41/1029930141.db2.gz NQFPEPSKEMEBKG-IFMALSPDSA-N 1 3 386.584 3.777 20 0 GHADHO CCOC(=O)[C@@]12C[N@H+](CCCc3cccc(C(F)(F)F)c3)C[C@@H]1CNCCC2 ZINC001222125292 1029972064 /nfs/dbraw/zinc/97/20/64/1029972064.db2.gz IUDHEDHBZCQJIG-ICSRJNTNSA-N 1 3 398.469 3.503 20 0 GHADHO CCOC(=O)[C@@]12C[N@@H+](CCCc3cccc(C(F)(F)F)c3)C[C@@H]1CNCCC2 ZINC001222125292 1029972065 /nfs/dbraw/zinc/97/20/65/1029972065.db2.gz IUDHEDHBZCQJIG-ICSRJNTNSA-N 1 3 398.469 3.503 20 0 GHADHO CCOC(=O)[C@@]12CN(CCCc3cccc(C(F)(F)F)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222125292 1029972068 /nfs/dbraw/zinc/97/20/68/1029972068.db2.gz IUDHEDHBZCQJIG-ICSRJNTNSA-N 1 3 398.469 3.503 20 0 GHADHO c1[nH]c2cccc(OCc3ccccc3)c2c1CN1CCC2(CC1)C[NH2+]CCO2 ZINC001222209111 1030005198 /nfs/dbraw/zinc/00/51/98/1030005198.db2.gz WLYSISNYFCUVAG-UHFFFAOYSA-N 1 3 391.515 3.701 20 0 GHADHO CCOC(=O)[C@@H]1CC2(CN1Cc1c3ccccc3[nH]c1C(C)(C)C)CC[NH2+]CC2 ZINC001222220743 1030014128 /nfs/dbraw/zinc/01/41/28/1030014128.db2.gz GRDOYPYAIGELLZ-FQEVSTJZSA-N 1 3 397.563 3.973 20 0 GHADHO C[C@@H]1CC(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)C[C@@H](C)O1 ZINC001222574629 1030204284 /nfs/dbraw/zinc/20/42/84/1030204284.db2.gz IJMZELVQXQSHIC-VIZSFHNOSA-N 1 3 386.580 3.993 20 0 GHADHO C[C@@H]1CC(C[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)C[C@@H](C)O1 ZINC001222574629 1030204294 /nfs/dbraw/zinc/20/42/94/1030204294.db2.gz IJMZELVQXQSHIC-VIZSFHNOSA-N 1 3 386.580 3.993 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@@H+]2Cc2cccc3c2CCN3)cc1 ZINC001222591288 1030218715 /nfs/dbraw/zinc/21/87/15/1030218715.db2.gz UFVHLINCBPSUAK-JOCHJYFZSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@H+]2Cc2cccc3c2CCN3)cc1 ZINC001222591288 1030218731 /nfs/dbraw/zinc/21/87/31/1030218731.db2.gz UFVHLINCBPSUAK-JOCHJYFZSA-N 1 3 391.559 3.958 20 0 GHADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001223833304 1030774642 /nfs/dbraw/zinc/77/46/42/1030774642.db2.gz UNCPYRIRMCKKHL-QFIPXVFZSA-N 1 3 394.563 3.539 20 0 GHADHO Nc1cn(C(=O)C[C@@H](N)CSc2ccccc2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218710581 1031043383 /nfs/dbraw/zinc/04/33/83/1031043383.db2.gz QSJJRMACGBPRST-MRXNPFEDSA-N 1 3 396.491 3.506 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC001224563299 1031048419 /nfs/dbraw/zinc/04/84/19/1031048419.db2.gz KOJJZRRJZBLDHQ-NRFANRHFSA-N 1 3 380.621 3.508 20 0 GHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC001224563299 1031048438 /nfs/dbraw/zinc/04/84/38/1031048438.db2.gz KOJJZRRJZBLDHQ-NRFANRHFSA-N 1 3 380.621 3.508 20 0 GHADHO COc1ccccc1Oc1ccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1 ZINC001218853169 1031115957 /nfs/dbraw/zinc/11/59/57/1031115957.db2.gz PSMGQBMZMCWMQB-IBGZPJMESA-N 1 3 385.508 3.922 20 0 GHADHO CN1Cc2c(NC(=O)[C@H](C[NH3+])c3ccccc3)cccc2[C@@H](c2ccccc2)C1 ZINC001219047010 1031230253 /nfs/dbraw/zinc/23/02/53/1031230253.db2.gz OBSBLUGNBLAUKN-FGZHOGPDSA-N 1 3 385.511 3.945 20 0 GHADHO CN1Cc2c(NC(=O)c3ccc4c(n3)CC[NH2+]C4)cccc2[C@@H](c2ccccc2)C1 ZINC001219048839 1031231779 /nfs/dbraw/zinc/23/17/79/1031231779.db2.gz JKFRLRRQFOMBLX-HXUWFJFHSA-N 1 3 398.510 3.557 20 0 GHADHO CCCCN(CC)[C@@H](C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1)c1ccccc1 ZINC001219787564 1031617398 /nfs/dbraw/zinc/61/73/98/1031617398.db2.gz GWLCSFKXKDGWBT-NFBKMPQASA-N 1 3 396.579 3.577 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001219999449 1031738981 /nfs/dbraw/zinc/73/89/81/1031738981.db2.gz UCRAFRNIZFOVMJ-ILBGXUMGSA-N 1 3 391.559 3.552 20 0 GHADHO CC(C)[C@@H](CNC(=O)N(CCN(C)C)CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC001220613924 1032013144 /nfs/dbraw/zinc/01/31/44/1032013144.db2.gz FXCKOUFYTDPDKI-JOCHJYFZSA-N 1 3 394.648 3.896 20 0 GHADHO C[NH+](C)CCC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC001229304010 1033404632 /nfs/dbraw/zinc/40/46/32/1033404632.db2.gz YGMHVCVANWMWKR-UHFFFAOYSA-N 1 3 380.532 3.907 20 0 GHADHO CCn1cc(CN2CCC3(CC2)CC[NH+](Cc2cccc(OC)c2)CC3)cn1 ZINC001205528168 1033453985 /nfs/dbraw/zinc/45/39/85/1033453985.db2.gz IYSQBSUFAXBTIF-UHFFFAOYSA-N 1 3 382.552 3.790 20 0 GHADHO COC(=O)N1CCC([NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC001205535746 1033457279 /nfs/dbraw/zinc/45/72/79/1033457279.db2.gz RULVSBHEVSAOEA-QHCPKHFHSA-N 1 3 387.568 3.745 20 0 GHADHO Cc1cc(I)c(CN2CCC[C@@](F)(C[NH3+])CC2)cc1C ZINC001205591324 1033483082 /nfs/dbraw/zinc/48/30/82/1033483082.db2.gz KLEQWPWNPQHIGJ-INIZCTEOSA-N 1 3 390.284 3.561 20 0 GHADHO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001205813964 1033587393 /nfs/dbraw/zinc/58/73/93/1033587393.db2.gz AOPUWBOYUKMHSL-QPPBQGQZSA-N 1 3 392.591 3.568 20 0 GHADHO CC(C)N(Cc1ccc(F)c(I)c1)[C@H]1CCC[NH2+]CC1 ZINC001206590991 1033917630 /nfs/dbraw/zinc/91/76/30/1033917630.db2.gz OTBLRKIYDGFJAP-AWEZNQCLSA-N 1 3 390.284 3.783 20 0 GHADHO COc1cc2cnc(Cl)cc2cc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158591676 1034183837 /nfs/dbraw/zinc/18/38/37/1034183837.db2.gz UPWWMWJKSSYFCA-UHFFFAOYSA-N 1 3 388.943 3.549 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249197 1034213944 /nfs/dbraw/zinc/21/39/44/1034213944.db2.gz VIKWDTFJLCOEMM-SLFFLAALSA-N 1 3 379.589 3.972 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249197 1034213959 /nfs/dbraw/zinc/21/39/59/1034213959.db2.gz VIKWDTFJLCOEMM-SLFFLAALSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207288901 1034239058 /nfs/dbraw/zinc/23/90/58/1034239058.db2.gz DUCOTGHOGGLYLJ-YADHBBJMSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001207375975 1034318934 /nfs/dbraw/zinc/31/89/34/1034318934.db2.gz RTBCGBZYBKUZQZ-NRFANRHFSA-N 1 3 399.579 3.984 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1cccc(C)c1)CC2 ZINC001207535039 1034439252 /nfs/dbraw/zinc/43/92/52/1034439252.db2.gz TWUOEPXNSMYOIL-DEOSSOPVSA-N 1 3 393.575 3.936 20 0 GHADHO Clc1ccc(CCC[N@@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001207598685 1034476102 /nfs/dbraw/zinc/47/61/02/1034476102.db2.gz KUANRNVSGRLOPK-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO Clc1ccc(CCC[N@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001207598685 1034476123 /nfs/dbraw/zinc/47/61/23/1034476123.db2.gz KUANRNVSGRLOPK-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC001159391320 1034576083 /nfs/dbraw/zinc/57/60/83/1034576083.db2.gz QVOHYKKSLRJXGR-JBACZVJFSA-N 1 3 393.579 3.804 20 0 GHADHO COc1cc(Cl)cnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159460212 1034605453 /nfs/dbraw/zinc/60/54/53/1034605453.db2.gz PJNOIIULAJCVTB-UHFFFAOYSA-N 1 3 384.911 3.653 20 0 GHADHO O=C(c1ccc(NC=CC2CC[NH2+]CC2)cc1)N1CCN(C2CCCCC2)CC1 ZINC001159529900 1034644916 /nfs/dbraw/zinc/64/49/16/1034644916.db2.gz WDAIADFXLJGHFL-NTCAYCPXSA-N 1 3 396.579 3.702 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cnccc13)CC2 ZINC001231516694 1034666105 /nfs/dbraw/zinc/66/61/05/1034666105.db2.gz KSHZEVGALWUUCH-GOSISDBHSA-N 1 3 396.560 3.880 20 0 GHADHO N[C@@H](CCC[NH3+])NC(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001159787858 1034742059 /nfs/dbraw/zinc/74/20/59/1034742059.db2.gz CBMSLWQAZWCZGG-MRXNPFEDSA-N 1 3 391.853 3.613 20 0 GHADHO Nc1cc(F)ccc1N(C1=CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160093556 1034855781 /nfs/dbraw/zinc/85/57/81/1034855781.db2.gz NISSBQCMVXSWMB-UHFFFAOYSA-N 1 3 380.511 3.756 20 0 GHADHO C[C@@H](C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1)OCc1ccccc1 ZINC001208701712 1034985743 /nfs/dbraw/zinc/98/57/43/1034985743.db2.gz IFEULNZPGNNRBV-NRFANRHFSA-N 1 3 379.548 3.975 20 0 GHADHO C[C@@H]1COCCN1CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208814420 1035036008 /nfs/dbraw/zinc/03/60/08/1035036008.db2.gz FHWJGDAJJLQTKL-GOSISDBHSA-N 1 3 388.552 3.575 20 0 GHADHO CO[C@@H]1CC[N@H+](CC2CCN(Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)C1 ZINC001208817820 1035037630 /nfs/dbraw/zinc/03/76/30/1035037630.db2.gz PDWWQPJMFZNGQF-OAQYLSRUSA-N 1 3 388.552 3.575 20 0 GHADHO CO[C@@H]1CC[N@@H+](CC2CCN(Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)C1 ZINC001208817820 1035037634 /nfs/dbraw/zinc/03/76/34/1035037634.db2.gz PDWWQPJMFZNGQF-OAQYLSRUSA-N 1 3 388.552 3.575 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941569 1035109962 /nfs/dbraw/zinc/10/99/62/1035109962.db2.gz LXTNWIXOBIOWCY-BDTNDASRSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941569 1035109968 /nfs/dbraw/zinc/10/99/68/1035109968.db2.gz LXTNWIXOBIOWCY-BDTNDASRSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943908 1035114077 /nfs/dbraw/zinc/11/40/77/1035114077.db2.gz WMIQWBVVSZCVRY-ZJSXRUAMSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943908 1035114078 /nfs/dbraw/zinc/11/40/78/1035114078.db2.gz WMIQWBVVSZCVRY-ZJSXRUAMSA-N 1 3 399.579 3.841 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](CN3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208944570 1035114867 /nfs/dbraw/zinc/11/48/67/1035114867.db2.gz LCZCWISHPOYCIZ-KMDXXIMOSA-N 1 3 384.564 3.559 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](CN3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208944570 1035114869 /nfs/dbraw/zinc/11/48/69/1035114869.db2.gz LCZCWISHPOYCIZ-KMDXXIMOSA-N 1 3 384.564 3.559 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC001232147828 1035126527 /nfs/dbraw/zinc/12/65/27/1035126527.db2.gz MIKHBLBRCHQTCZ-HSZRJFAPSA-N 1 3 399.485 3.655 20 0 GHADHO CCN(Cc1cc(F)cc(C[NH+](C)C)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232150101 1035129223 /nfs/dbraw/zinc/12/92/23/1035129223.db2.gz SNXWUBKGOFXFTB-LJQANCHMSA-N 1 3 379.520 3.719 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCCc1cccnc1)CC2 ZINC001209175187 1035200496 /nfs/dbraw/zinc/20/04/96/1035200496.db2.gz QNNYGBQOJKZPNC-QHCPKHFHSA-N 1 3 379.548 3.770 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209367377 1035255833 /nfs/dbraw/zinc/25/58/33/1035255833.db2.gz MLWJJXJLQXLFNA-RTWAWAEBSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209367377 1035255834 /nfs/dbraw/zinc/25/58/34/1035255834.db2.gz MLWJJXJLQXLFNA-RTWAWAEBSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001209367377 1035255839 /nfs/dbraw/zinc/25/58/39/1035255839.db2.gz MLWJJXJLQXLFNA-RTWAWAEBSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001209367377 1035255842 /nfs/dbraw/zinc/25/58/42/1035255842.db2.gz MLWJJXJLQXLFNA-RTWAWAEBSA-N 1 3 387.568 3.745 20 0 GHADHO C[C@@H]1CC(C[N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C[C@@H](C)O1 ZINC001209383596 1035264914 /nfs/dbraw/zinc/26/49/14/1035264914.db2.gz XHHJYEGBIBGEHZ-XUFREYRYSA-N 1 3 390.612 3.651 20 0 GHADHO C[C@@H]1CC(C[N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C[C@@H](C)O1 ZINC001209383596 1035264918 /nfs/dbraw/zinc/26/49/18/1035264918.db2.gz XHHJYEGBIBGEHZ-XUFREYRYSA-N 1 3 390.612 3.651 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001209451077 1035276950 /nfs/dbraw/zinc/27/69/50/1035276950.db2.gz ZKUQILURBFGHTF-RXVVDRJESA-N 1 3 383.552 3.533 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001209451077 1035276954 /nfs/dbraw/zinc/27/69/54/1035276954.db2.gz ZKUQILURBFGHTF-RXVVDRJESA-N 1 3 383.552 3.533 20 0 GHADHO COc1cc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc(F)c1O ZINC001209527281 1035304040 /nfs/dbraw/zinc/30/40/40/1035304040.db2.gz WJUVTTNSVBZQNU-UHFFFAOYSA-N 1 3 399.510 3.812 20 0 GHADHO COc1cc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc(F)c1O ZINC001209527281 1035304046 /nfs/dbraw/zinc/30/40/46/1035304046.db2.gz WJUVTTNSVBZQNU-UHFFFAOYSA-N 1 3 399.510 3.812 20 0 GHADHO Cn1nc2ccccc2c1CN1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209537892 1035308218 /nfs/dbraw/zinc/30/82/18/1035308218.db2.gz ZCJZOJZMIJEGGW-AVCGJXAMSA-N 1 3 389.547 3.701 20 0 GHADHO Cn1nc2ccccc2c1CN1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209537892 1035308223 /nfs/dbraw/zinc/30/82/23/1035308223.db2.gz ZCJZOJZMIJEGGW-AVCGJXAMSA-N 1 3 389.547 3.701 20 0 GHADHO c1ccc(CN2CCc3c(ccnc3-c3ccc(CN4CC[NH2+]CC4)cc3)C2)cc1 ZINC001241977398 1035772233 /nfs/dbraw/zinc/77/22/33/1035772233.db2.gz TZVHTIIEWRXGJV-UHFFFAOYSA-N 1 3 398.554 3.712 20 0 GHADHO COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc(F)c(CN2CCCCC2)c1 ZINC001244288694 1036463609 /nfs/dbraw/zinc/46/36/09/1036463609.db2.gz MISIYMGVMCJMJL-UHFFFAOYSA-N 1 3 383.511 3.897 20 0 GHADHO C[C@H]1C[N@H+](C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)CCc2ccc(Cl)cc21 ZINC001246047922 1037160941 /nfs/dbraw/zinc/16/09/41/1037160941.db2.gz FIUSCWHDKXIRJP-SKOKVVANSA-N 1 3 394.893 3.511 20 0 GHADHO C[C@H]1C[N@@H+](C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)CCc2ccc(Cl)cc21 ZINC001246047922 1037160945 /nfs/dbraw/zinc/16/09/45/1037160945.db2.gz FIUSCWHDKXIRJP-SKOKVVANSA-N 1 3 394.893 3.511 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001246046897 1037161008 /nfs/dbraw/zinc/16/10/08/1037161008.db2.gz APQGFMNWLJYXBU-LEWJYISDSA-N 1 3 392.465 3.816 20 0 GHADHO CCCC[C@@H]1C[C@@H](NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)CC[NH2+]1 ZINC001246280849 1037272762 /nfs/dbraw/zinc/27/27/62/1037272762.db2.gz LTXFLWGEULLGDE-HCXYKTFWSA-N 1 3 398.588 3.529 20 0 GHADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246293295 1037280782 /nfs/dbraw/zinc/28/07/82/1037280782.db2.gz YELDNDZCWGPIQP-XBJMDHIQSA-N 1 3 385.596 3.569 20 0 GHADHO Fc1cccc(F)c1CN1CCC([NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246356229 1037313263 /nfs/dbraw/zinc/31/32/63/1037313263.db2.gz RSVHNMLWBRDMLC-NHCUHLMSSA-N 1 3 399.529 3.882 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cc(F)c(F)c(F)c3)CC2)CCN1 ZINC001246359237 1037317471 /nfs/dbraw/zinc/31/74/71/1037317471.db2.gz MPDFDHOMHKPISS-QZTJIDSGSA-N 1 3 383.502 3.969 20 0 GHADHO CCCC[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cc(F)ccc3OC)CC2)CCN1 ZINC001246361362 1037319065 /nfs/dbraw/zinc/31/90/65/1037319065.db2.gz XJROXVNRULYNPY-SFTDATJTSA-N 1 3 377.548 3.699 20 0 GHADHO Clc1cccc(CN2CC[C@H](N[C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246360223 1037319711 /nfs/dbraw/zinc/31/97/11/1037319711.db2.gz GNWQBYRPAYIWAY-VABKMULXSA-N 1 3 383.967 3.867 20 0 GHADHO COc1cccc(CC2([NH2+][C@H]3CCc4c(cccc4OC)C3)CCNCC2)c1 ZINC001246379343 1037337599 /nfs/dbraw/zinc/33/75/99/1037337599.db2.gz XSNXNPHEWMJUHX-FQEVSTJZSA-N 1 3 380.532 3.516 20 0 GHADHO Clc1ccc(CC2(N[C@@H]3CCN(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246391731 1037351191 /nfs/dbraw/zinc/35/11/91/1037351191.db2.gz OMDIXSSAONGCIZ-JOCHJYFZSA-N 1 3 383.967 3.869 20 0 GHADHO Fc1ccc(CC2([NH2+]C3CCN(c4ccc(F)cc4)CC3)CCNCC2)cc1 ZINC001246391691 1037352338 /nfs/dbraw/zinc/35/23/38/1037352338.db2.gz GPXXSSVECMWEPN-UHFFFAOYSA-N 1 3 385.502 3.888 20 0 GHADHO CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CCN1 ZINC001246417245 1037373240 /nfs/dbraw/zinc/37/32/40/1037373240.db2.gz TUSIQFUEZAZMQR-RTBURBONSA-N 1 3 395.385 3.909 20 0 GHADHO COc1ccccc1CC1(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246424651 1037382464 /nfs/dbraw/zinc/38/24/64/1037382464.db2.gz HEILAZUWJGJWRT-NZQKXSOJSA-N 1 3 393.575 3.613 20 0 GHADHO CCCC[C@H]1C[C@H](NCCc2ccc(OCC(=O)OC(C)(C)C)cc2)CC[NH2+]1 ZINC001246483199 1037430082 /nfs/dbraw/zinc/43/00/82/1037430082.db2.gz KJWCSBZWPCGUQO-VQTJNVASSA-N 1 3 390.568 3.850 20 0 GHADHO CCCC[C@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246483199 1037430087 /nfs/dbraw/zinc/43/00/87/1037430087.db2.gz KJWCSBZWPCGUQO-VQTJNVASSA-N 1 3 390.568 3.850 20 0 GHADHO CC[C@@H]1CC[C@@H]([NH2+]CCCC[C@H](N)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)C1 ZINC001246493105 1037439510 /nfs/dbraw/zinc/43/95/10/1037439510.db2.gz HUFIQQICOBPULA-HLIPFELVSA-N 1 3 399.535 3.706 20 0 GHADHO C[C@@H]1CN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@@H](C)CN1Cc1ccccc1 ZINC001246533299 1037467653 /nfs/dbraw/zinc/46/76/53/1037467653.db2.gz MHWIQZXXBUXKGR-QKYMMTCKSA-N 1 3 377.576 3.945 20 0 GHADHO N[C@H]1CN(C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@@H]1F ZINC001246532946 1037468075 /nfs/dbraw/zinc/46/80/75/1037468075.db2.gz BRDXGXBURTXXBP-MXXWWZHRSA-N 1 3 381.539 3.981 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725511 1037575804 /nfs/dbraw/zinc/57/58/04/1037575804.db2.gz ZRFUSVAUDMIPLD-KCZVDYSFSA-N 1 3 389.609 3.987 20 0 GHADHO CCN(CC)C(=O)C[C@H]1CC2(CCN([C@H](C)CC[NH2+]C)CC2)c2ccccc21 ZINC001246753380 1037592709 /nfs/dbraw/zinc/59/27/09/1037592709.db2.gz LADIJRDIILJDSO-UXHICEINSA-N 1 3 385.596 3.764 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246761876 1037604168 /nfs/dbraw/zinc/60/41/68/1037604168.db2.gz ULEYXXBWRHSNSO-RTTXXZQMSA-N 1 3 387.543 3.889 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246761876 1037604189 /nfs/dbraw/zinc/60/41/89/1037604189.db2.gz ULEYXXBWRHSNSO-RTTXXZQMSA-N 1 3 387.543 3.889 20 0 GHADHO Cc1ccc(N2C[C@]3(CCN([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246778844 1037618492 /nfs/dbraw/zinc/61/84/92/1037618492.db2.gz ODKBFBYROGRJPE-JTHBVZDNSA-N 1 3 381.564 3.879 20 0 GHADHO Brc1cccc([C@@H]2CN([C@H]3CC[NH2+]C4(CCCCC4)C3)CCN2)c1 ZINC001246805532 1037639687 /nfs/dbraw/zinc/63/96/87/1037639687.db2.gz JRSKPNLZZLJWPC-OALUTQOASA-N 1 3 392.385 3.850 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CCN1 ZINC001246809051 1037643410 /nfs/dbraw/zinc/64/34/10/1037643410.db2.gz ZWBZUAMGAJMIBF-VLOWTAQSSA-N 1 3 393.550 3.991 20 0 GHADHO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246841122 1037667822 /nfs/dbraw/zinc/66/78/22/1037667822.db2.gz TTWOLXVSRUGDMA-VJBMBRPKSA-N 1 3 382.548 3.895 20 0 GHADHO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246841122 1037667836 /nfs/dbraw/zinc/66/78/36/1037667836.db2.gz TTWOLXVSRUGDMA-VJBMBRPKSA-N 1 3 382.548 3.895 20 0 GHADHO Brc1cccc2c1C[C@@H](N1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246880004 1037694295 /nfs/dbraw/zinc/69/42/95/1037694295.db2.gz OAPBYBQDMXEAEE-DXIQSLLYSA-N 1 3 397.360 3.779 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246914784 1037720726 /nfs/dbraw/zinc/72/07/26/1037720726.db2.gz CNBUHEUFURIDPH-JSXRDJHFSA-N 1 3 376.516 3.890 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CC1 ZINC001246946446 1037749250 /nfs/dbraw/zinc/74/92/50/1037749250.db2.gz NBGUGHOZWQQPSN-LJQANCHMSA-N 1 3 393.959 3.905 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CC1 ZINC001246946446 1037749270 /nfs/dbraw/zinc/74/92/70/1037749270.db2.gz NBGUGHOZWQQPSN-LJQANCHMSA-N 1 3 393.959 3.905 20 0 GHADHO CCOC(=O)N1CCC[C@@H](N(Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CC1 ZINC001246946446 1037749292 /nfs/dbraw/zinc/74/92/92/1037749292.db2.gz NBGUGHOZWQQPSN-LJQANCHMSA-N 1 3 393.959 3.905 20 0 GHADHO COC(=O)c1cccc(CN([C@@H]2Cc3ccc(Cl)cc3C2)C2CC[NH2+]CC2)c1 ZINC001246956898 1037768483 /nfs/dbraw/zinc/76/84/83/1037768483.db2.gz IJGDJMGYAASSNJ-JOCHJYFZSA-N 1 3 398.934 3.848 20 0 GHADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccc(OC)c(OC)c1 ZINC001462214405 1070089150 /nfs/dbraw/zinc/08/91/50/1070089150.db2.gz JLPWXVCGNLWDLG-LVIWNVNYSA-N 1 3 376.541 3.778 20 0 GHADHO Fc1cccc(N2CCC(N3CCC4(CC3)[NH2+]CCc3ccccc34)CC2)c1 ZINC001247007544 1037832494 /nfs/dbraw/zinc/83/24/94/1037832494.db2.gz XUIGOKULQDMQEI-UHFFFAOYSA-N 1 3 379.523 3.932 20 0 GHADHO O[C@]1(CN2CCC(Sc3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252931089 1039268796 /nfs/dbraw/zinc/26/87/96/1039268796.db2.gz HIRKPODMPZWESQ-QHCPKHFHSA-N 1 3 382.573 3.880 20 0 GHADHO O[C@]1(CN2CCC(Sc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252931089 1039268811 /nfs/dbraw/zinc/26/88/11/1039268811.db2.gz HIRKPODMPZWESQ-QHCPKHFHSA-N 1 3 382.573 3.880 20 0 GHADHO CC1CC([NH2+]CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 ZINC001462344942 1070188130 /nfs/dbraw/zinc/18/81/30/1070188130.db2.gz WBKVMGCFXXYKJU-UHFFFAOYSA-N 1 3 387.568 3.934 20 0 GHADHO CC(C)Oc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001254003796 1039946409 /nfs/dbraw/zinc/94/64/09/1039946409.db2.gz SEZUYLMIMWVIPD-ACRUOGEOSA-N 1 3 390.568 3.552 20 0 GHADHO CC(C)Oc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001254003796 1039946411 /nfs/dbraw/zinc/94/64/11/1039946411.db2.gz SEZUYLMIMWVIPD-ACRUOGEOSA-N 1 3 390.568 3.552 20 0 GHADHO OC1(C[NH+]2CCC(Sc3ccncc3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254040457 1039969805 /nfs/dbraw/zinc/96/98/05/1039969805.db2.gz UGUZOEDLGSNXEU-UHFFFAOYSA-N 1 3 397.588 3.665 20 0 GHADHO Cc1cccc(OC2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)c1 ZINC001254039753 1039970475 /nfs/dbraw/zinc/97/04/75/1039970475.db2.gz JGMXVDISIZKJIC-UHFFFAOYSA-N 1 3 394.559 3.865 20 0 GHADHO OC1(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC001254042214 1039971553 /nfs/dbraw/zinc/97/15/53/1039971553.db2.gz BIOZTGLBTHEDJY-HSZRJFAPSA-N 1 3 382.523 3.860 20 0 GHADHO OC1(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC001254042214 1039971555 /nfs/dbraw/zinc/97/15/55/1039971555.db2.gz BIOZTGLBTHEDJY-HSZRJFAPSA-N 1 3 382.523 3.860 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CC1=O ZINC001254240040 1040092480 /nfs/dbraw/zinc/09/24/80/1040092480.db2.gz XAJIPKNOKYCJBQ-IBGZPJMESA-N 1 3 393.572 3.547 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CC1=O ZINC001254240040 1040092497 /nfs/dbraw/zinc/09/24/97/1040092497.db2.gz XAJIPKNOKYCJBQ-IBGZPJMESA-N 1 3 393.572 3.547 20 0 GHADHO C[C@H](CN(C)C)Oc1cccc2c1[C@@]13CC[N@H+](CC4CC4)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC001234709638 1040241558 /nfs/dbraw/zinc/24/15/58/1040241558.db2.gz NHTYIKZMSLWPNX-SQTZCGGWSA-N 1 3 396.575 3.663 20 0 GHADHO C[C@H](CN(C)C)Oc1cccc2c1[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC001234709638 1040241573 /nfs/dbraw/zinc/24/15/73/1040241573.db2.gz NHTYIKZMSLWPNX-SQTZCGGWSA-N 1 3 396.575 3.663 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](N1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001254782825 1040541845 /nfs/dbraw/zinc/54/18/45/1040541845.db2.gz COXBKHDVSOFXEA-IBGZPJMESA-N 1 3 395.563 3.674 20 0 GHADHO Fc1ccc(-n2cc(CN3CCC4(CC3)C[NH2+]Cc3ccccc34)cn2)cc1 ZINC001235086668 1040574766 /nfs/dbraw/zinc/57/47/66/1040574766.db2.gz NHWVAGVJCGOOKJ-UHFFFAOYSA-N 1 3 376.479 3.648 20 0 GHADHO COc1cc(CN2CCCC[C@H]2C2CC[NH2+]CC2)c(OC)cc1Br ZINC001235154551 1040647357 /nfs/dbraw/zinc/64/73/57/1040647357.db2.gz MJWRMCBMIXVJTI-KRWDZBQOSA-N 1 3 397.357 3.820 20 0 GHADHO COC(=O)/C=C/c1cc(F)c(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235154705 1040648798 /nfs/dbraw/zinc/64/87/98/1040648798.db2.gz ALBVHINQYAZGTC-RRFGBZISSA-N 1 3 378.463 3.505 20 0 GHADHO Ic1ccc(CN2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235158070 1040651488 /nfs/dbraw/zinc/65/14/88/1040651488.db2.gz UFCOAMLXJFEWBR-KRWDZBQOSA-N 1 3 384.305 3.645 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](N3CCC(C)([NH+]4CCCC4)CC3)C[C@@H]2C1 ZINC001254914500 1040664447 /nfs/dbraw/zinc/66/44/47/1040664447.db2.gz YRLCMEABFJIGKA-BWTSREIZSA-N 1 3 377.573 3.582 20 0 GHADHO [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254939465 1040678656 /nfs/dbraw/zinc/67/86/56/1040678656.db2.gz GTQNYLCDUYUTJW-HOTGVXAUSA-N 1 3 380.454 3.799 20 0 GHADHO OC1CC(N[C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255071010 1040764373 /nfs/dbraw/zinc/76/43/73/1040764373.db2.gz BNYDPFJFXSPEFL-MQEXIPMMSA-N 1 3 376.544 3.864 20 0 GHADHO OC1CC(N[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255071010 1040764388 /nfs/dbraw/zinc/76/43/88/1040764388.db2.gz BNYDPFJFXSPEFL-MQEXIPMMSA-N 1 3 376.544 3.864 20 0 GHADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(Cc1cc(F)cc(Cl)c1)C2 ZINC001235320125 1040791414 /nfs/dbraw/zinc/79/14/14/1040791414.db2.gz HBTWWRPSSTUWKV-GHTZIAJQSA-N 1 3 394.918 3.624 20 0 GHADHO Cn1ccc(-c2ccc(CN3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)cc2)n1 ZINC001235387818 1040905338 /nfs/dbraw/zinc/90/53/38/1040905338.db2.gz XSMZSUOBICJRMH-ILBGXUMGSA-N 1 3 386.543 3.840 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H](N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)C1 ZINC001255358401 1040960208 /nfs/dbraw/zinc/96/02/08/1040960208.db2.gz VALMNIUOHSJLJN-MOPGFXCFSA-N 1 3 381.520 3.787 20 0 GHADHO CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404947 1040992187 /nfs/dbraw/zinc/99/21/87/1040992187.db2.gz LTAOQHHIICZPOL-LEWJYISDSA-N 1 3 387.568 3.982 20 0 GHADHO CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404947 1040992192 /nfs/dbraw/zinc/99/21/92/1040992192.db2.gz LTAOQHHIICZPOL-LEWJYISDSA-N 1 3 387.568 3.982 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@H](N3CC4(C3)CCN(Cc3cccnc3)C4)CC2)cc1 ZINC001255405238 1040992507 /nfs/dbraw/zinc/99/25/07/1040992507.db2.gz XZKQSCSNNUIOLR-DEOSSOPVSA-N 1 3 390.575 3.644 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@H](N3CC4(C3)CCN(Cc3cccnc3)C4)CC2)cc1 ZINC001255405238 1040992508 /nfs/dbraw/zinc/99/25/08/1040992508.db2.gz XZKQSCSNNUIOLR-DEOSSOPVSA-N 1 3 390.575 3.644 20 0 GHADHO COc1cccnc1O[C@H]1CC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409858 1040998947 /nfs/dbraw/zinc/99/89/47/1040998947.db2.gz LWFICUOTWKPENO-RTWAWAEBSA-N 1 3 381.520 3.598 20 0 GHADHO COc1cccnc1O[C@H]1CC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409858 1040998954 /nfs/dbraw/zinc/99/89/54/1040998954.db2.gz LWFICUOTWKPENO-RTWAWAEBSA-N 1 3 381.520 3.598 20 0 GHADHO Cc1ccc(CN2CCOC3(CCN(CCC[NH2+]C4CCCCC4)CC3)C2)cc1 ZINC001235609970 1041030344 /nfs/dbraw/zinc/03/03/44/1041030344.db2.gz NWJWENOLAORFRA-UHFFFAOYSA-N 1 3 399.623 3.974 20 0 GHADHO Fc1cccc(CN2CC[C@@]23CCCN(Cc2cc4c(s2)C[NH2+]CC4)C3)c1 ZINC001235628872 1041059907 /nfs/dbraw/zinc/05/99/07/1041059907.db2.gz MBONMRNUYVXBAP-JOCHJYFZSA-N 1 3 385.552 3.773 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+]([C@@H]1CCOC(C)(C)C1)CC2 ZINC001255543577 1041121547 /nfs/dbraw/zinc/12/15/47/1041121547.db2.gz HBOPAOAWUAPJAI-QZTJIDSGSA-N 1 3 378.582 3.761 20 0 GHADHO COc1ccc(CN2CCCC[C@H]2C[N@H+](C)C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001255681908 1041213914 /nfs/dbraw/zinc/21/39/14/1041213914.db2.gz BJNWHMJIKVPSBE-SMAIGVGUSA-N 1 3 385.596 3.997 20 0 GHADHO COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001255681908 1041213930 /nfs/dbraw/zinc/21/39/30/1041213930.db2.gz BJNWHMJIKVPSBE-SMAIGVGUSA-N 1 3 385.596 3.997 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255945375 1041430646 /nfs/dbraw/zinc/43/06/46/1041430646.db2.gz DNFWLXOOVROYLD-VQIMIIECSA-N 1 3 391.547 3.979 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCN(Cc2ccccc2Br)C1 ZINC001255953392 1041433726 /nfs/dbraw/zinc/43/37/26/1041433726.db2.gz JVDLZPRVGCUJST-WMZOPIPTSA-N 1 3 382.390 3.733 20 0 GHADHO COc1ccccc1OC1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001235947117 1041451569 /nfs/dbraw/zinc/45/15/69/1041451569.db2.gz HLQSRXNRKSZHCL-UHFFFAOYSA-N 1 3 391.515 3.797 20 0 GHADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401322 1041702895 /nfs/dbraw/zinc/70/28/95/1041702895.db2.gz OQPREXOWVXLQKR-QGZVFWFLSA-N 1 3 384.495 3.987 20 0 GHADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401322 1041702900 /nfs/dbraw/zinc/70/29/00/1041702900.db2.gz OQPREXOWVXLQKR-QGZVFWFLSA-N 1 3 384.495 3.987 20 0 GHADHO C[C@H](Cc1ccc2c(c1)OCO2)CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401322 1041702906 /nfs/dbraw/zinc/70/29/06/1041702906.db2.gz OQPREXOWVXLQKR-QGZVFWFLSA-N 1 3 384.495 3.987 20 0 GHADHO CC(C)N(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC001236525635 1041753275 /nfs/dbraw/zinc/75/32/75/1041753275.db2.gz AHXUZELPSJBDTP-XMMPIXPASA-N 1 3 392.591 3.581 20 0 GHADHO CC(C)CN(Cc1c2c(ccc1Br)OCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553278 1041759440 /nfs/dbraw/zinc/75/94/40/1041759440.db2.gz ZEDZUQUSPUVFKC-HDJSIYSDSA-N 1 3 383.330 3.906 20 0 GHADHO CC(C)c1ccc(CN2CCC(N3CCC([NH3+])CC3)CC2)c(Br)c1 ZINC001236582704 1041767665 /nfs/dbraw/zinc/76/76/65/1041767665.db2.gz GXCUPJZMXOSLFU-UHFFFAOYSA-N 1 3 394.401 3.960 20 0 GHADHO [NH3+]C1CCN([C@@H]2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)C2)CC1 ZINC001236622526 1041788705 /nfs/dbraw/zinc/78/87/05/1041788705.db2.gz PIAYSUVQWUGILK-OAQYLSRUSA-N 1 3 399.966 3.916 20 0 GHADHO COc1ccc2n[nH]c(CN(Cc3ccccc3OC)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236710145 1041847444 /nfs/dbraw/zinc/84/74/44/1041847444.db2.gz ODKATROXCXMZKE-IYARVYRRSA-N 1 3 394.519 3.852 20 0 GHADHO COc1ccc2[nH]nc(CN(Cc3ccccc3OC)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236710145 1041847448 /nfs/dbraw/zinc/84/74/48/1041847448.db2.gz ODKATROXCXMZKE-IYARVYRRSA-N 1 3 394.519 3.852 20 0 GHADHO Brc1cccc(O[C@@H]2CCN(Cc3cc4c(s3)CC[NH2+]C4)C2)c1 ZINC001237178485 1042079957 /nfs/dbraw/zinc/07/99/57/1042079957.db2.gz DMFOZEKYDKKQMR-MRXNPFEDSA-N 1 3 393.350 3.810 20 0 GHADHO O=C(c1ccc(-c2ccccc2)cc1)C1CC[NH+](CC[C@H]2CNCCO2)CC1 ZINC001237249677 1042107181 /nfs/dbraw/zinc/10/71/81/1042107181.db2.gz QAKCWTTXJXEKGI-QHCPKHFHSA-N 1 3 378.516 3.627 20 0 GHADHO COc1cc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cc(OC)n1 ZINC001237555211 1042261981 /nfs/dbraw/zinc/26/19/81/1042261981.db2.gz KOFIPADFGUCUSM-LJQANCHMSA-N 1 3 385.508 3.568 20 0 GHADHO COc1cc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc(OC)n1 ZINC001237555211 1042261984 /nfs/dbraw/zinc/26/19/84/1042261984.db2.gz KOFIPADFGUCUSM-LJQANCHMSA-N 1 3 385.508 3.568 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@H+](C)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc21 ZINC001237888248 1042410813 /nfs/dbraw/zinc/41/08/13/1042410813.db2.gz BBIUANHDIASPID-XVAYZXCPSA-N 1 3 397.563 3.985 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@@H+](C)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc21 ZINC001237888248 1042410815 /nfs/dbraw/zinc/41/08/15/1042410815.db2.gz BBIUANHDIASPID-XVAYZXCPSA-N 1 3 397.563 3.985 20 0 GHADHO Cc1ccc(I)c(CN2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC001238812917 1042737653 /nfs/dbraw/zinc/73/76/53/1042737653.db2.gz HFLKDHPFBSSYRV-UHFFFAOYSA-N 1 3 398.332 3.907 20 0 GHADHO CN1CCN(Cc2ccc(-c3cccc4c3C3(CC4)CC[NH2+]CC3)cc2)CC1 ZINC001240402771 1042926713 /nfs/dbraw/zinc/92/67/13/1042926713.db2.gz RQCLTAOWZPHKFD-UHFFFAOYSA-N 1 3 375.560 3.668 20 0 GHADHO CN1CCN(C2(c3ccc(-c4cccc(OCC[NH+](C)C)c4)cc3)CC2)CC1 ZINC001240589513 1042944428 /nfs/dbraw/zinc/94/44/28/1042944428.db2.gz BJCSAVIVFBXMBH-UHFFFAOYSA-N 1 3 379.548 3.531 20 0 GHADHO CCN(CC)Cc1cccc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)c1F ZINC001240816619 1042956385 /nfs/dbraw/zinc/95/63/85/1042956385.db2.gz IOGVFTJJACYLDC-UHFFFAOYSA-N 1 3 381.495 3.908 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462672684 1070460686 /nfs/dbraw/zinc/46/06/86/1070460686.db2.gz KTKAVDGEFGFGLV-OTWHNJEPSA-N 1 3 385.552 3.694 20 0 GHADHO C[C@H]1C[C@@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256526649 1043455875 /nfs/dbraw/zinc/45/58/75/1043455875.db2.gz NXXBSVYOFFHDJG-TUSQITKMSA-N 1 3 393.575 3.530 20 0 GHADHO C[C@H]1C[C@@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256526649 1043455900 /nfs/dbraw/zinc/45/59/00/1043455900.db2.gz NXXBSVYOFFHDJG-TUSQITKMSA-N 1 3 393.575 3.530 20 0 GHADHO CCOC(=O)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001256527955 1043456129 /nfs/dbraw/zinc/45/61/29/1043456129.db2.gz BRQQUCOUPWTDHU-AJSBUHFISA-N 1 3 380.532 3.976 20 0 GHADHO CCOC(=O)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001256527955 1043456142 /nfs/dbraw/zinc/45/61/42/1043456142.db2.gz BRQQUCOUPWTDHU-AJSBUHFISA-N 1 3 380.532 3.976 20 0 GHADHO C[C@H]1C[C@@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256536559 1043480869 /nfs/dbraw/zinc/48/08/69/1043480869.db2.gz FCJWWKUVGZDVGC-WSWWRLHASA-N 1 3 399.579 3.981 20 0 GHADHO C[C@H]1C[C@@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256536559 1043480886 /nfs/dbraw/zinc/48/08/86/1043480886.db2.gz FCJWWKUVGZDVGC-WSWWRLHASA-N 1 3 399.579 3.981 20 0 GHADHO C[C@H]1C[C@@H](N2CCN(CCc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548588 1043509189 /nfs/dbraw/zinc/50/91/89/1043509189.db2.gz BLQRVDMVFFQCCQ-DHLKQENFSA-N 1 3 377.576 3.900 20 0 GHADHO C[C@H]1C[C@@H](N2CCN(CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548588 1043509228 /nfs/dbraw/zinc/50/92/28/1043509228.db2.gz BLQRVDMVFFQCCQ-DHLKQENFSA-N 1 3 377.576 3.900 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC001256554867 1043522957 /nfs/dbraw/zinc/52/29/57/1043522957.db2.gz NNWIZZDASYZUAY-JTSKRJEESA-N 1 3 379.589 3.876 20 0 GHADHO CCCCCCOC(=O)CCCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256684183 1043621154 /nfs/dbraw/zinc/62/11/54/1043621154.db2.gz NZCLFDAOEFUQBU-UHFFFAOYSA-N 1 3 382.589 3.903 20 0 GHADHO c1ccc([C@H]2COC3(C2)CC[NH+](C2CCC(N4CCOCC4)CC2)CC3)cc1 ZINC001256694535 1043627232 /nfs/dbraw/zinc/62/72/32/1043627232.db2.gz XSXCJFNLSFJRAI-DDRJZQQSSA-N 1 3 384.564 3.669 20 0 GHADHO c1ccc([C@@H]2COC3(C2)CC[NH+](C2CCC(N4CCOCC4)CC2)CC3)cc1 ZINC001256694537 1043627374 /nfs/dbraw/zinc/62/73/74/1043627374.db2.gz XSXCJFNLSFJRAI-UVKLAMSESA-N 1 3 384.564 3.669 20 0 GHADHO C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001256837044 1043687238 /nfs/dbraw/zinc/68/72/38/1043687238.db2.gz WBKYVCBJVZOWLX-KBAYOESNSA-N 1 3 381.358 3.613 20 0 GHADHO COc1cccc(-c2nc(CNC3CCN(c4cc[nH+]cc4)CC3)cs2)c1 ZINC001256855929 1043704366 /nfs/dbraw/zinc/70/43/66/1043704366.db2.gz BPMLBPVPNVSFKY-UHFFFAOYSA-N 1 3 380.517 3.972 20 0 GHADHO Cc1nc(CN2CCCC23CCN(C2CC[NH+](C(C)C)CC2)CC3)cs1 ZINC001257219115 1043939738 /nfs/dbraw/zinc/93/97/38/1043939738.db2.gz YOACXCVFQNSYSP-UHFFFAOYSA-N 1 3 376.614 3.755 20 0 GHADHO COC1CCN(C2CC[NH+]([C@@H](C)Cc3ccc(Br)cc3)CC2)CC1 ZINC001257566796 1044053081 /nfs/dbraw/zinc/05/30/81/1044053081.db2.gz HAZAZGLBTYDRIT-INIZCTEOSA-N 1 3 395.385 3.955 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@H]2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001258001495 1044329392 /nfs/dbraw/zinc/32/93/92/1044329392.db2.gz TVWJSHHHMLVMAG-SFHLNBCPSA-N 1 3 393.616 3.980 20 0 GHADHO CC(C)CN1CCC([NH2+][C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001258006933 1044333262 /nfs/dbraw/zinc/33/32/62/1044333262.db2.gz NXPGFPMSHLUJAP-OAQYLSRUSA-N 1 3 389.584 3.832 20 0 GHADHO CC(C)C[NH+]1CCC(N2CCC3(CCN(C(=O)c4cccs4)C3)CC2)CC1 ZINC001258011679 1044336099 /nfs/dbraw/zinc/33/60/99/1044336099.db2.gz KHMHEYFDIPETSH-UHFFFAOYSA-N 1 3 389.609 3.797 20 0 GHADHO CNC(=O)C[C@@H]1CC2(CCN(C3CC[NH+](CC(C)C)CC3)CC2)c2ccccc21 ZINC001258014977 1044341893 /nfs/dbraw/zinc/34/18/93/1044341893.db2.gz VPQRNFWZRDQMQS-HXUWFJFHSA-N 1 3 397.607 3.764 20 0 GHADHO CC(C)CN1CCC([N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014227 1044342909 /nfs/dbraw/zinc/34/29/09/1044342909.db2.gz GEFXCGHOPPZAMX-TUACAJSNSA-N 1 3 384.612 3.734 20 0 GHADHO CC(C)CN1CCC([N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014227 1044342922 /nfs/dbraw/zinc/34/29/22/1044342922.db2.gz GEFXCGHOPPZAMX-TUACAJSNSA-N 1 3 384.612 3.734 20 0 GHADHO CC(C)C[NH+]1CCC(N2CCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001258013878 1044343045 /nfs/dbraw/zinc/34/30/45/1044343045.db2.gz YNXAAPUPQLEHAU-QFIPXVFZSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@H]1CCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258142945 1044429081 /nfs/dbraw/zinc/42/90/81/1044429081.db2.gz DLDKAGYPDABUSO-FQEVSTJZSA-N 1 3 387.568 3.540 20 0 GHADHO CSC(C)(C)C[C@@H](C)[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001258342560 1044516853 /nfs/dbraw/zinc/51/68/53/1044516853.db2.gz KTCVLOVVAQAJPE-LJQANCHMSA-N 1 3 391.625 3.916 20 0 GHADHO [NH3+]C1(c2cccc(F)c2)CCN([C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258573826 1044650582 /nfs/dbraw/zinc/65/05/82/1044650582.db2.gz DXVIQKUJGOPHAU-QFIPXVFZSA-N 1 3 395.522 3.657 20 0 GHADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1)[NH+](C)C ZINC001296529388 1045332630 /nfs/dbraw/zinc/33/26/30/1045332630.db2.gz HPCCBBWBAPZZLF-WZONZLPQSA-N 1 3 388.515 3.977 20 0 GHADHO COc1c(Cl)cccc1CN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001279197746 1047741292 /nfs/dbraw/zinc/74/12/92/1047741292.db2.gz DGXKPVOADJYULA-UHFFFAOYSA-N 1 3 379.976 3.588 20 0 GHADHO COc1c(Cl)cccc1CN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001279197746 1047741294 /nfs/dbraw/zinc/74/12/94/1047741294.db2.gz DGXKPVOADJYULA-UHFFFAOYSA-N 1 3 379.976 3.588 20 0 GHADHO C[N@@H+]1CCCC2(CCN(Cc3n[nH]c4cc(Br)ccc43)CC2)C1 ZINC001279296607 1047758720 /nfs/dbraw/zinc/75/87/20/1047758720.db2.gz CMRFDIVVBBWPBV-UHFFFAOYSA-N 1 3 377.330 3.633 20 0 GHADHO C[N@H+]1CCCC2(CCN(Cc3n[nH]c4cc(Br)ccc43)CC2)C1 ZINC001279296607 1047758724 /nfs/dbraw/zinc/75/87/24/1047758724.db2.gz CMRFDIVVBBWPBV-UHFFFAOYSA-N 1 3 377.330 3.633 20 0 GHADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1cccc(C(F)(F)F)c1Cl)CC2 ZINC001279365840 1047782616 /nfs/dbraw/zinc/78/26/16/1047782616.db2.gz FRHPPSWUFYPVOC-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1csc(C(F)(F)F)c1)C2 ZINC001279712456 1047931002 /nfs/dbraw/zinc/93/10/02/1047931002.db2.gz ZTVCBNOQNNHRLX-QGZVFWFLSA-N 1 3 375.504 3.616 20 0 GHADHO Cc1cc(Cl)c(Cl)cc1CN1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001280094562 1048077490 /nfs/dbraw/zinc/07/74/90/1048077490.db2.gz GEEKYXNYOQDVTA-IYBDPMFKSA-N 1 3 398.378 3.534 20 0 GHADHO Cc1cc(Cl)c(Cl)cc1CN1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001280094562 1048077501 /nfs/dbraw/zinc/07/75/01/1048077501.db2.gz GEEKYXNYOQDVTA-IYBDPMFKSA-N 1 3 398.378 3.534 20 0 GHADHO CC[C@@](C)([NH2+]CC(=O)N1CCCN(Cc2ccccc2C)CC1)c1ccccc1 ZINC001307633306 1049463973 /nfs/dbraw/zinc/46/39/73/1049463973.db2.gz RUQOMTATTFOIRE-RUZDIDTESA-N 1 3 393.575 3.944 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC001308204087 1049911662 /nfs/dbraw/zinc/91/16/62/1049911662.db2.gz YQOWLEAPFYFCIS-QHCPKHFHSA-N 1 3 385.596 3.796 20 0 GHADHO Cc1cccc(C(=O)N2CCC([NH2+][C@H](C)[C@@H]3CCCN(C4CCC4)C3)CC2)c1 ZINC001308681421 1050057915 /nfs/dbraw/zinc/05/79/15/1050057915.db2.gz QZBFFVHDORCWGO-TZIWHRDSSA-N 1 3 383.580 3.842 20 0 GHADHO CN1CCCC[C@@H](C[NH2+]CCC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001308865000 1050129970 /nfs/dbraw/zinc/12/99/70/1050129970.db2.gz UVPLVGAANXVXBQ-SEBOWIOWSA-N 1 3 379.589 3.876 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1F ZINC001331972014 1051427375 /nfs/dbraw/zinc/42/73/75/1051427375.db2.gz OTUQKBFKPSVHAY-KBRMVUAJSA-N 1 3 398.522 3.741 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1F ZINC001331972014 1051427386 /nfs/dbraw/zinc/42/73/86/1051427386.db2.gz OTUQKBFKPSVHAY-KBRMVUAJSA-N 1 3 398.522 3.741 20 0 GHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CCN(C)CC2)cc1 ZINC001333465189 1051745553 /nfs/dbraw/zinc/74/55/53/1051745553.db2.gz IQFOKPZNYBTDTC-LJQANCHMSA-N 1 3 389.547 3.783 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3nc4cc(Br)ccc4o3)C[C@@H]2C1 ZINC001334356598 1051933334 /nfs/dbraw/zinc/93/33/34/1051933334.db2.gz NYUJWPQWANIBLV-VNHYZAJKSA-N 1 3 378.314 3.752 20 0 GHADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC001312557498 1052789815 /nfs/dbraw/zinc/78/98/15/1052789815.db2.gz LFEPESKRNOUADG-FCHUYYIVSA-N 1 3 388.600 3.516 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001323809287 1057016654 /nfs/dbraw/zinc/01/66/54/1057016654.db2.gz NBTZZMHEUJIVAG-UXHICEINSA-N 1 3 392.975 3.603 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001323809287 1057016658 /nfs/dbraw/zinc/01/66/58/1057016658.db2.gz NBTZZMHEUJIVAG-UXHICEINSA-N 1 3 392.975 3.603 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4ccccc4C4(CCC4)C3)CC2)CC1 ZINC001326767115 1057553580 /nfs/dbraw/zinc/55/35/80/1057553580.db2.gz JNQQIUODDSZFCJ-UHFFFAOYSA-N 1 3 395.591 3.647 20 0 GHADHO C[C@H](OCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000849056377 1057568341 /nfs/dbraw/zinc/56/83/41/1057568341.db2.gz JEHRQHTVWHTWEW-FQEVSTJZSA-N 1 3 394.563 3.933 20 0 GHADHO CCOc1cc(C)ccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849086587 1057587695 /nfs/dbraw/zinc/58/76/95/1057587695.db2.gz CFVUUZHFUVXCNB-UHFFFAOYSA-N 1 3 380.536 3.672 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001441370703 1058771058 /nfs/dbraw/zinc/77/10/58/1058771058.db2.gz KAMUMHWQHHORMU-MBSDFSHPSA-N 1 3 389.559 3.890 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001441370703 1058771075 /nfs/dbraw/zinc/77/10/75/1058771075.db2.gz KAMUMHWQHHORMU-MBSDFSHPSA-N 1 3 389.559 3.890 20 0 GHADHO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001346018241 1061293933 /nfs/dbraw/zinc/29/39/33/1061293933.db2.gz SSGKZYHHCJPBQG-HXUWFJFHSA-N 1 3 391.559 3.746 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)C1CCCC1)c1ccccc1 ZINC001459708203 1064180279 /nfs/dbraw/zinc/18/02/79/1064180279.db2.gz UOXLIQKOXSVMEH-VWNXMTODSA-N 1 3 379.548 3.927 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+]Cc3cccc(OC(F)(F)F)c3)c2)CC1 ZINC001200046402 1065067307 /nfs/dbraw/zinc/06/73/07/1065067307.db2.gz PGNKSKSPPNRVHV-UHFFFAOYSA-N 1 3 393.453 3.622 20 0 GHADHO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC001200069380 1065121656 /nfs/dbraw/zinc/12/16/56/1065121656.db2.gz HEPKISAGRWSZIR-HXUWFJFHSA-N 1 3 388.556 3.546 20 0 GHADHO c1ccc(CCN2CC[C@H](C[NH2+]Cc3ccc(Oc4cnccn4)cc3)C2)cc1 ZINC001200094697 1065200897 /nfs/dbraw/zinc/20/08/97/1065200897.db2.gz BXWZOJVWMXOEBG-JOCHJYFZSA-N 1 3 388.515 3.923 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc(C)c(Cl)c3)CC2)CC1 ZINC000847493207 1065444936 /nfs/dbraw/zinc/44/49/36/1065444936.db2.gz DICJENUXQJRMRB-UHFFFAOYSA-N 1 3 377.960 3.808 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H]3CCCN4C)cc2)C1 ZINC001467605148 1067381913 /nfs/dbraw/zinc/38/19/13/1067381913.db2.gz FEWLMIRZODRNBI-JFSTXAPLSA-N 1 3 398.595 3.543 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H]3CCCN4C)cc2)C1 ZINC001467605148 1067381923 /nfs/dbraw/zinc/38/19/23/1067381923.db2.gz FEWLMIRZODRNBI-JFSTXAPLSA-N 1 3 398.595 3.543 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC001478590336 1078927258 /nfs/dbraw/zinc/92/72/58/1078927258.db2.gz OAHYXBFVGIBQSL-NRFANRHFSA-N 1 3 386.584 3.591 20 0 GHADHO CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](CC)CC)[C@@H]1CCN(C)C1 ZINC001478734335 1078970193 /nfs/dbraw/zinc/97/01/93/1078970193.db2.gz AWJDZKGNAAGZDD-YADHBBJMSA-N 1 3 388.600 3.758 20 0 GHADHO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001478956663 1079038573 /nfs/dbraw/zinc/03/85/73/1079038573.db2.gz DUARQNJPNUGXLH-KSEOMHKRSA-N 1 3 388.600 3.626 20 0 GHADHO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001478956663 1079038577 /nfs/dbraw/zinc/03/85/77/1079038577.db2.gz DUARQNJPNUGXLH-KSEOMHKRSA-N 1 3 388.600 3.626 20 0 GHADHO O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001479138912 1079119262 /nfs/dbraw/zinc/11/92/62/1079119262.db2.gz BETVYPWFCHEASN-QFIPXVFZSA-N 1 3 386.584 3.653 20 0 GHADHO COc1cccc([C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2)c1 ZINC001473739006 1074116978 /nfs/dbraw/zinc/11/69/78/1074116978.db2.gz NDTMFTAMTSCQLX-XMMPIXPASA-N 1 3 379.548 3.828 20 0 GHADHO C[NH+](C)CCOc1cccc(CNCc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC001473939706 1074211988 /nfs/dbraw/zinc/21/19/88/1074211988.db2.gz TVTAHGGRYRBPCJ-UHFFFAOYSA-N 1 3 384.520 3.872 20 0 GHADHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1-n1cncn1 ZINC001474036172 1074243185 /nfs/dbraw/zinc/24/31/85/1074243185.db2.gz VDHAYGOCTAWKAE-SIKLNZKXSA-N 1 3 375.520 3.718 20 0 GHADHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1-n1cncn1 ZINC001474036172 1074243195 /nfs/dbraw/zinc/24/31/95/1074243195.db2.gz VDHAYGOCTAWKAE-SIKLNZKXSA-N 1 3 375.520 3.718 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](CC)C(=O)OC(C)(C)C)CC1 ZINC001474274985 1074320999 /nfs/dbraw/zinc/32/09/99/1074320999.db2.gz LIZIWRCJDJZBSH-IBGZPJMESA-N 1 3 389.584 3.676 20 0 GHADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Br)cc(Br)c3)[C@H]2C1 ZINC001474302874 1074331254 /nfs/dbraw/zinc/33/12/54/1074331254.db2.gz JCDGBUNPVHFTLN-TUKIKUTGSA-N 1 3 388.147 3.641 20 0 GHADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506060 1074437751 /nfs/dbraw/zinc/43/77/51/1074437751.db2.gz ZUZANMZAFVSJHX-UNMCSNQZSA-N 1 3 399.579 3.896 20 0 GHADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506060 1074437757 /nfs/dbraw/zinc/43/77/57/1074437757.db2.gz ZUZANMZAFVSJHX-UNMCSNQZSA-N 1 3 399.579 3.896 20 0 GHADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506060 1074437764 /nfs/dbraw/zinc/43/77/64/1074437764.db2.gz ZUZANMZAFVSJHX-UNMCSNQZSA-N 1 3 399.579 3.896 20 0 GHADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506060 1074437774 /nfs/dbraw/zinc/43/77/74/1074437774.db2.gz ZUZANMZAFVSJHX-UNMCSNQZSA-N 1 3 399.579 3.896 20 0 GHADHO c1ccc(C[N@H+]2C[C@H]3CCCN(c4ncccc4CN4CCCC4)[C@H]3C2)cc1 ZINC001164622281 719111638 /nfs/dbraw/zinc/11/16/38/719111638.db2.gz BPRWQZKCRXMCQY-GGAORHGYSA-N 1 3 376.548 3.778 20 0 GHADHO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ncccc4CN4CCCC4)[C@H]3C2)cc1 ZINC001164622281 719111644 /nfs/dbraw/zinc/11/16/44/719111644.db2.gz BPRWQZKCRXMCQY-GGAORHGYSA-N 1 3 376.548 3.778 20 0 GHADHO CCN(CC)[C@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655684856 837669313 /nfs/dbraw/zinc/66/93/13/837669313.db2.gz ZOAMKNGDVDJYCI-GHTZIAJQSA-N 1 3 379.976 3.566 20 0 GHADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc2ccccc2nc1N1CCCCC1 ZINC000151000703 834403307 /nfs/dbraw/zinc/40/33/07/834403307.db2.gz ATEURRGEJWOCFZ-NRFANRHFSA-N 1 3 384.568 3.672 20 0 GHADHO CC[C@H]1c2ccccc2CCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654792619 834570070 /nfs/dbraw/zinc/57/00/70/834570070.db2.gz VXGBNLLMRLVKLJ-QHCPKHFHSA-N 1 3 383.580 3.719 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)CCN1Cc1ccccc1 ZINC000089595063 834594922 /nfs/dbraw/zinc/59/49/22/834594922.db2.gz OMCIHZJMYCXVCC-GGAORHGYSA-N 1 3 385.596 3.664 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)(N2CCCCC2)CC1 ZINC000172750107 834642599 /nfs/dbraw/zinc/64/25/99/834642599.db2.gz BKYGPFKLMSMWNM-RBUKOAKNSA-N 1 3 389.971 3.510 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCc1ccc(C[NH3+])cc1F ZINC000650718041 834648938 /nfs/dbraw/zinc/64/89/38/834648938.db2.gz VWPIPIPVBUROCK-GFCCVEGCSA-N 1 3 399.388 3.690 20 0 GHADHO C[NH2+]Cc1ccccc1CNCc1cc(Br)c2c(c1)OCCCO2 ZINC000650718810 834658167 /nfs/dbraw/zinc/65/81/67/834658167.db2.gz WRSVZZUMAKAYHD-UHFFFAOYSA-N 1 3 391.309 3.620 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000583572470 834665927 /nfs/dbraw/zinc/66/59/27/834665927.db2.gz JYQMYUZZRZDTBR-RTBURBONSA-N 1 3 389.543 3.785 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(C)(C)c3ccc(C)cc3)CC2)CC1 ZINC000583702233 834896857 /nfs/dbraw/zinc/89/68/57/834896857.db2.gz NLQPGPYMMPODDP-UHFFFAOYSA-N 1 3 399.623 3.927 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000583812126 835073450 /nfs/dbraw/zinc/07/34/50/835073450.db2.gz RLZZTGNZWRBFPI-MQSCRBSSSA-N 1 3 385.596 3.663 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4ccccc4C)CCC3)CC2)CC1 ZINC000655161922 835318381 /nfs/dbraw/zinc/31/83/81/835318381.db2.gz GFKSDEQNQOCHJU-UHFFFAOYSA-N 1 3 383.580 3.687 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1OCC ZINC000658141614 835453065 /nfs/dbraw/zinc/45/30/65/835453065.db2.gz SNGVLDAPOREABS-XMSQKQJNSA-N 1 3 398.547 3.901 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1OCC ZINC000658141614 835453069 /nfs/dbraw/zinc/45/30/69/835453069.db2.gz SNGVLDAPOREABS-XMSQKQJNSA-N 1 3 398.547 3.901 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cncc(Br)c1 ZINC000658165895 835481209 /nfs/dbraw/zinc/48/12/09/835481209.db2.gz SOMDWFCOQRSTAE-HNNXBMFYSA-N 1 3 389.341 3.802 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000658166645 835481288 /nfs/dbraw/zinc/48/12/88/835481288.db2.gz KIURRGXUBIIFIE-FQEVSTJZSA-N 1 3 394.563 3.917 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000658168138 835482656 /nfs/dbraw/zinc/48/26/56/835482656.db2.gz VVWSCMNZLOMIOM-SFHVURJKSA-N 1 3 381.520 3.806 20 0 GHADHO C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274862620 835704758 /nfs/dbraw/zinc/70/47/58/835704758.db2.gz DDEIUXTUWBMGLX-KNQAVFIVSA-N 1 3 395.547 3.640 20 0 GHADHO C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274862619 835705167 /nfs/dbraw/zinc/70/51/67/835705167.db2.gz DDEIUXTUWBMGLX-DENIHFKCSA-N 1 3 395.547 3.640 20 0 GHADHO COc1cccc([C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)N2CCCC2)c1 ZINC000431651449 836140029 /nfs/dbraw/zinc/14/00/29/836140029.db2.gz JUTNVQPCDJUSFA-GOTSBHOMSA-N 1 3 395.547 3.641 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483548 844156480 /nfs/dbraw/zinc/15/64/80/844156480.db2.gz HNEODEJGNDCHTA-NFBKMPQASA-N 1 3 379.548 3.523 20 0 GHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000513052680 844158267 /nfs/dbraw/zinc/15/82/67/844158267.db2.gz VMUXAKWPUYQQCA-HXUWFJFHSA-N 1 3 384.593 3.973 20 0 GHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000513052680 844158268 /nfs/dbraw/zinc/15/82/68/844158268.db2.gz VMUXAKWPUYQQCA-HXUWFJFHSA-N 1 3 384.593 3.973 20 0 GHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000155197825 836561010 /nfs/dbraw/zinc/56/10/10/836561010.db2.gz GWYQEMNGNKQAQR-IBGZPJMESA-N 1 3 392.547 3.633 20 0 GHADHO Cc1cc([C@@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C)s1 ZINC000414330657 837166458 /nfs/dbraw/zinc/16/64/58/837166458.db2.gz RYDFHPOTEYUTID-MRXNPFEDSA-N 1 3 385.577 3.913 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccccc3SC)CC2)CC1 ZINC000579977027 838240361 /nfs/dbraw/zinc/24/03/61/838240361.db2.gz VHOVFLVOQQLXFS-KRWDZBQOSA-N 1 3 389.609 3.782 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)N2CCCC2)cc1 ZINC000659444686 838396432 /nfs/dbraw/zinc/39/64/32/838396432.db2.gz GVDDYXDAFMCJDF-PKTZIBPZSA-N 1 3 398.595 3.553 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275691014 838425045 /nfs/dbraw/zinc/42/50/45/838425045.db2.gz WYGSLIGUXHOHQP-YJMBLLCNSA-N 1 3 382.552 3.766 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275691014 838425048 /nfs/dbraw/zinc/42/50/48/838425048.db2.gz WYGSLIGUXHOHQP-YJMBLLCNSA-N 1 3 382.552 3.766 20 0 GHADHO O=C(CN[C@H]1CCCC[C@H]1C(F)(F)F)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000124247701 838964143 /nfs/dbraw/zinc/96/41/43/838964143.db2.gz VJQSBGMNIILARK-MOPGFXCFSA-N 1 3 397.485 3.609 20 0 GHADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000415013694 839062204 /nfs/dbraw/zinc/06/22/04/839062204.db2.gz YWMXLZPBDFDNCE-TVTNDZMWSA-N 1 3 399.510 3.534 20 0 GHADHO COC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000580223415 839076968 /nfs/dbraw/zinc/07/69/68/839076968.db2.gz KUPPGXOSPXDUMG-DHIUTWEWSA-N 1 3 386.580 3.710 20 0 GHADHO CCCCOc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415128921 839254739 /nfs/dbraw/zinc/25/47/39/839254739.db2.gz SSQXJLUURNEWQE-FPOVZHCZSA-N 1 3 376.541 3.592 20 0 GHADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000471579816 839592464 /nfs/dbraw/zinc/59/24/64/839592464.db2.gz CHZVWPFWCJNQSB-PMACEKPBSA-N 1 3 399.579 3.799 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000580478051 839638551 /nfs/dbraw/zinc/63/85/51/839638551.db2.gz MMPWQXDOQFFIST-IBGZPJMESA-N 1 3 376.541 3.813 20 0 GHADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1c(Cl)cccc1Cl ZINC000580553159 839797383 /nfs/dbraw/zinc/79/73/83/839797383.db2.gz UHQZOPCCFUVPLH-MRXNPFEDSA-N 1 3 387.351 3.730 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000175836262 839813204 /nfs/dbraw/zinc/81/32/04/839813204.db2.gz RKGYUERPRNFGCL-UHFFFAOYSA-N 1 3 394.563 3.554 20 0 GHADHO Cc1nn(-c2ccccc2Br)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000656252648 839819417 /nfs/dbraw/zinc/81/94/17/839819417.db2.gz XUNVUVSRPDZKBM-UHFFFAOYSA-N 1 3 391.357 3.717 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000047960214 839853263 /nfs/dbraw/zinc/85/32/63/839853263.db2.gz CXVFDDVVWDQEKV-QHCPKHFHSA-N 1 3 394.563 3.601 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000047960214 839853269 /nfs/dbraw/zinc/85/32/69/839853269.db2.gz CXVFDDVVWDQEKV-QHCPKHFHSA-N 1 3 394.563 3.601 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000047960213 839853350 /nfs/dbraw/zinc/85/33/50/839853350.db2.gz CXVFDDVVWDQEKV-HSZRJFAPSA-N 1 3 394.563 3.601 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000047960213 839853357 /nfs/dbraw/zinc/85/33/57/839853357.db2.gz CXVFDDVVWDQEKV-HSZRJFAPSA-N 1 3 394.563 3.601 20 0 GHADHO C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000759859384 840231299 /nfs/dbraw/zinc/23/12/99/840231299.db2.gz ROEXTKJCKTUJHU-UWJYYQICSA-N 1 3 376.903 3.966 20 0 GHADHO C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000759859384 840231312 /nfs/dbraw/zinc/23/13/12/840231312.db2.gz ROEXTKJCKTUJHU-UWJYYQICSA-N 1 3 376.903 3.966 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417012587 840367992 /nfs/dbraw/zinc/36/79/92/840367992.db2.gz XIUGNODSKFMXIH-MISYRCLQSA-N 1 3 392.613 3.695 20 0 GHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000500410057 840404455 /nfs/dbraw/zinc/40/44/55/840404455.db2.gz OHJBYONTADUAEU-OFNKIYASSA-N 1 3 399.579 3.603 20 0 GHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000500410057 840404463 /nfs/dbraw/zinc/40/44/63/840404463.db2.gz OHJBYONTADUAEU-OFNKIYASSA-N 1 3 399.579 3.603 20 0 GHADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@H]1OCCc2ccccc21 ZINC000511623731 840818356 /nfs/dbraw/zinc/81/83/56/840818356.db2.gz AQWDXZFUILFGIZ-RUZDIDTESA-N 1 3 393.575 3.963 20 0 GHADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653591 841059202 /nfs/dbraw/zinc/05/92/02/841059202.db2.gz BXWUUGJJDAWXOF-VWNXMTODSA-N 1 3 380.532 3.511 20 0 GHADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653591 841059211 /nfs/dbraw/zinc/05/92/11/841059211.db2.gz BXWUUGJJDAWXOF-VWNXMTODSA-N 1 3 380.532 3.511 20 0 GHADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652977 841061257 /nfs/dbraw/zinc/06/12/57/841061257.db2.gz NQYSBWLBFYDFGJ-RDPSFJRHSA-N 1 3 396.531 3.636 20 0 GHADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652977 841061273 /nfs/dbraw/zinc/06/12/73/841061273.db2.gz NQYSBWLBFYDFGJ-RDPSFJRHSA-N 1 3 396.531 3.636 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000510414531 841273480 /nfs/dbraw/zinc/27/34/80/841273480.db2.gz KOIXERGYJYEJQG-IRXDYDNUSA-N 1 3 385.552 3.981 20 0 GHADHO CC(C)n1ncc2cc(CN3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cnc21 ZINC000177510633 861193693 /nfs/dbraw/zinc/19/36/93/861193693.db2.gz CSXPNNXRJLPQAR-OALUTQOASA-N 1 3 399.583 3.724 20 0 GHADHO CC(C)n1ncc2cc(C[NH+]3CCC(CCN4C[C@H](C)O[C@@H](C)C4)CC3)cnc21 ZINC000177510633 861193695 /nfs/dbraw/zinc/19/36/95/861193695.db2.gz CSXPNNXRJLPQAR-OALUTQOASA-N 1 3 399.583 3.724 20 0 GHADHO C[C@H](NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651693085 841377078 /nfs/dbraw/zinc/37/70/78/841377078.db2.gz APNKVBPVWCYRNQ-IBGZPJMESA-N 1 3 378.564 3.958 20 0 GHADHO Clc1oc2ccccc2c1CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663509722 842059206 /nfs/dbraw/zinc/05/92/06/842059206.db2.gz CIAGTCWRBVMFEZ-OAHLLOKOSA-N 1 3 399.926 3.599 20 0 GHADHO C[C@@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H]1CCN ZINC000652353837 842344387 /nfs/dbraw/zinc/34/43/87/842344387.db2.gz FJWMQDWNRHNVNN-JUXOCIIHSA-N 1 3 385.577 3.793 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H]1CCN ZINC000652353837 842344402 /nfs/dbraw/zinc/34/44/02/842344402.db2.gz FJWMQDWNRHNVNN-JUXOCIIHSA-N 1 3 385.577 3.793 20 0 GHADHO C[C@@H]1CCCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H]1CC[NH3+] ZINC000652353837 842344415 /nfs/dbraw/zinc/34/44/15/842344415.db2.gz FJWMQDWNRHNVNN-JUXOCIIHSA-N 1 3 385.577 3.793 20 0 GHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423195 842451802 /nfs/dbraw/zinc/45/18/02/842451802.db2.gz WXJAOHADNHDIKB-OALUTQOASA-N 1 3 390.572 3.712 20 0 GHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423195 842451806 /nfs/dbraw/zinc/45/18/06/842451806.db2.gz WXJAOHADNHDIKB-OALUTQOASA-N 1 3 390.572 3.712 20 0 GHADHO Cc1sc([C@@H](C)NC[C@H]2CCC3(C[NH2+]C3)O2)nc1-c1ccc(Cl)cc1 ZINC000662281159 843059987 /nfs/dbraw/zinc/05/99/87/843059987.db2.gz IYSVVLIGHWBTBH-MLGOLLRUSA-N 1 3 377.941 3.944 20 0 GHADHO C[C@H](CCN1C[C@]23COC[C@@]2(C1)CCCC3)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310105 843123723 /nfs/dbraw/zinc/12/37/23/843123723.db2.gz HBRCSDBOFQPZSD-SJSRKZJXSA-N 1 3 388.596 3.550 20 0 GHADHO C[C@H](CCN1C[C@]23COC[C@@]2(C1)CCCC3)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310105 843123730 /nfs/dbraw/zinc/12/37/30/843123730.db2.gz HBRCSDBOFQPZSD-SJSRKZJXSA-N 1 3 388.596 3.550 20 0 GHADHO CCCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418730576 843578609 /nfs/dbraw/zinc/57/86/09/843578609.db2.gz SNGRXNVQJONXFE-FSSWDIPSSA-N 1 3 386.584 3.590 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000604206659 843651832 /nfs/dbraw/zinc/65/18/32/843651832.db2.gz SCTHGBRVIPABGC-QHCPKHFHSA-N 1 3 398.595 3.874 20 0 GHADHO C[C@@H](CCc1ccccc1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512411307 843722494 /nfs/dbraw/zinc/72/24/94/843722494.db2.gz XJOSNPWCIQGVTA-WIOPSUGQSA-N 1 3 377.576 3.900 20 0 GHADHO C[C@@H](CCc1ccccc1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512411307 843722505 /nfs/dbraw/zinc/72/25/05/843722505.db2.gz XJOSNPWCIQGVTA-WIOPSUGQSA-N 1 3 377.576 3.900 20 0 GHADHO C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000500727268 843894045 /nfs/dbraw/zinc/89/40/45/843894045.db2.gz AZVBYEFOZYUBCE-PZJWPPBQSA-N 1 3 398.595 3.523 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000512650061 844886305 /nfs/dbraw/zinc/88/63/05/844886305.db2.gz WUTFAZFWXFAVCJ-BJESRGMDSA-N 1 3 384.564 3.605 20 0 GHADHO c1c(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc2n1CCCC2 ZINC000512662617 844916505 /nfs/dbraw/zinc/91/65/05/844916505.db2.gz ZBJQOTPZLGOWEW-ACIOBRDBSA-N 1 3 378.564 3.652 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000512659709 844938818 /nfs/dbraw/zinc/93/88/18/844938818.db2.gz JJULIEKXULGYGE-RJGXRXQPSA-N 1 3 376.548 3.787 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000261964725 845190045 /nfs/dbraw/zinc/19/00/45/845190045.db2.gz ARKUYPWRTZDECY-UHFFFAOYSA-N 1 3 384.505 3.670 20 0 GHADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389881 861558941 /nfs/dbraw/zinc/55/89/41/861558941.db2.gz WVGIXFSLVMIQTD-FQEVSTJZSA-N 1 3 394.563 3.667 20 0 GHADHO CCC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCOCC1 ZINC000549880424 845438359 /nfs/dbraw/zinc/43/83/59/845438359.db2.gz YGEIELJDMPSIGH-QFIPXVFZSA-N 1 3 386.580 3.712 20 0 GHADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000179509326 861608653 /nfs/dbraw/zinc/60/86/53/861608653.db2.gz PXKVVDLVCMJKAC-CQSZACIVSA-N 1 3 383.414 3.771 20 0 GHADHO C[NH+]1CCC(N2CCC(Nc3ccnc(CSc4ccccc4)n3)CC2)CC1 ZINC000892153778 846085894 /nfs/dbraw/zinc/08/58/94/846085894.db2.gz QCWURGNQFZMKIO-UHFFFAOYSA-N 1 3 397.592 3.739 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC000502806459 846489621 /nfs/dbraw/zinc/48/96/21/846489621.db2.gz YSQAKOKXCHEPOP-JOCHJYFZSA-N 1 3 388.600 3.663 20 0 GHADHO CC(C)OC[C@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000501381069 846892548 /nfs/dbraw/zinc/89/25/48/846892548.db2.gz IWGBKPDUGUJNJZ-NRFANRHFSA-N 1 3 381.564 3.912 20 0 GHADHO C[C@@H]1C[N@@H+](CCCCNCc2c(F)ccc(Br)c2F)C[C@H](C)O1 ZINC000501432157 846925673 /nfs/dbraw/zinc/92/56/73/846925673.db2.gz CVGWMQMWSSCIOT-BETUJISGSA-N 1 3 391.300 3.706 20 0 GHADHO C[C@@H]1C[N@H+](CCCCNCc2c(F)ccc(Br)c2F)C[C@H](C)O1 ZINC000501432157 846925686 /nfs/dbraw/zinc/92/56/86/846925686.db2.gz CVGWMQMWSSCIOT-BETUJISGSA-N 1 3 391.300 3.706 20 0 GHADHO CN(C)C(=O)c1cccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000110913315 847131880 /nfs/dbraw/zinc/13/18/80/847131880.db2.gz PHPWSLUNISTHHY-UHFFFAOYSA-N 1 3 379.548 3.732 20 0 GHADHO CN(C)C(=O)c1cccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000110913315 847131886 /nfs/dbraw/zinc/13/18/86/847131886.db2.gz PHPWSLUNISTHHY-UHFFFAOYSA-N 1 3 379.548 3.732 20 0 GHADHO C[C@@H](Nc1ccccc1CN1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272753658 847163183 /nfs/dbraw/zinc/16/31/83/847163183.db2.gz KDCUMNMFJTWBKA-IRLDBZIGSA-N 1 3 393.575 3.966 20 0 GHADHO C[C@@H](Nc1ccccc1CN1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272753658 847163186 /nfs/dbraw/zinc/16/31/86/847163186.db2.gz KDCUMNMFJTWBKA-IRLDBZIGSA-N 1 3 393.575 3.966 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OC)c(OC)c1 ZINC000272761590 847164509 /nfs/dbraw/zinc/16/45/09/847164509.db2.gz QHUBYGJGWUTOSY-FGZHOGPDSA-N 1 3 398.547 3.901 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(OC)c(OC)c1 ZINC000272761590 847164511 /nfs/dbraw/zinc/16/45/11/847164511.db2.gz QHUBYGJGWUTOSY-FGZHOGPDSA-N 1 3 398.547 3.901 20 0 GHADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000501778862 847180035 /nfs/dbraw/zinc/18/00/35/847180035.db2.gz VXADAWHSJHLKFS-KRWDZBQOSA-N 1 3 379.976 3.913 20 0 GHADHO CC(C)n1ccnc1CNCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000657427213 847212208 /nfs/dbraw/zinc/21/22/08/847212208.db2.gz QYFWCUCXTVYYJV-WOJBJXKFSA-N 1 3 384.568 3.763 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(N(C)C(C)C)c3)CC2)CC1 ZINC000563377418 847456379 /nfs/dbraw/zinc/45/63/79/847456379.db2.gz OIAKOKOGCDUBMU-UHFFFAOYSA-N 1 3 386.584 3.666 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc(O[C@@H]4CCOC4)cc3)cc2)CC1 ZINC000657459806 847564335 /nfs/dbraw/zinc/56/43/35/847564335.db2.gz GTIPUXWDJUJNEO-XMMPIXPASA-N 1 3 396.531 3.617 20 0 GHADHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016315 847639444 /nfs/dbraw/zinc/63/94/44/847639444.db2.gz UQOIGCZPJZMABF-LJQANCHMSA-N 1 3 397.567 3.598 20 0 GHADHO CCN1CCC([N@H+]2CCCN([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016315 847639449 /nfs/dbraw/zinc/63/94/49/847639449.db2.gz UQOIGCZPJZMABF-LJQANCHMSA-N 1 3 397.567 3.598 20 0 GHADHO OC1(CNCc2cc(F)ccc2OC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000657494044 847786468 /nfs/dbraw/zinc/78/64/68/847786468.db2.gz CQACOLNXJYBWDH-UHFFFAOYSA-N 1 3 394.437 3.544 20 0 GHADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422726308 847799752 /nfs/dbraw/zinc/79/97/52/847799752.db2.gz DLLBXCOKMVCISD-ZGXWSNOMSA-N 1 3 381.486 3.790 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CCCc4cccnc43)CC2)cc1 ZINC000684953096 847881638 /nfs/dbraw/zinc/88/16/38/847881638.db2.gz HJCMYJGXVHURPJ-QHCPKHFHSA-N 1 3 378.564 3.647 20 0 GHADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Sc1ccc(Br)cc1 ZINC000422961572 847904793 /nfs/dbraw/zinc/90/47/93/847904793.db2.gz ZGSVLTROWRPUAL-BVPBIZIASA-N 1 3 399.398 3.676 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1Br ZINC000657594948 848289284 /nfs/dbraw/zinc/28/92/84/848289284.db2.gz LNMDMIIRZAPDSJ-LJQANCHMSA-N 1 3 389.337 3.614 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1Br ZINC000657594948 848289293 /nfs/dbraw/zinc/28/92/93/848289293.db2.gz LNMDMIIRZAPDSJ-LJQANCHMSA-N 1 3 389.337 3.614 20 0 GHADHO CC[C@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000525635419 848980380 /nfs/dbraw/zinc/98/03/80/848980380.db2.gz YLNPZSINDRBJIY-XMMPIXPASA-N 1 3 393.575 3.852 20 0 GHADHO COc1cccc(-c2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)c1OC ZINC000583087641 849036552 /nfs/dbraw/zinc/03/65/52/849036552.db2.gz ZBCXJQDRMLOOJJ-HZPDHXFCSA-N 1 3 387.549 3.649 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000604206658 861990577 /nfs/dbraw/zinc/99/05/77/861990577.db2.gz SCTHGBRVIPABGC-HSZRJFAPSA-N 1 3 398.595 3.874 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)Cc2ccc(OC)c(OC)c2C)cc1 ZINC000423332471 849869158 /nfs/dbraw/zinc/86/91/58/849869158.db2.gz NKSAPDOCEXJIIW-XGRCMKMKSA-N 1 3 398.547 3.687 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423388949 849896720 /nfs/dbraw/zinc/89/67/20/849896720.db2.gz UPBGRVMVYDSMAB-MDZLAQPJSA-N 1 3 377.838 3.806 20 0 GHADHO CC(C)[C@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)N1CCCCC1 ZINC000504206780 849958753 /nfs/dbraw/zinc/95/87/53/849958753.db2.gz AVGOTSOHMBJYOX-JOCHJYFZSA-N 1 3 386.584 3.666 20 0 GHADHO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000505616069 850134659 /nfs/dbraw/zinc/13/46/59/850134659.db2.gz ZYVBLBJTZAZDRX-CVDCTZTESA-N 1 3 379.548 3.706 20 0 GHADHO COCCOCc1ccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000514758106 850252835 /nfs/dbraw/zinc/25/28/35/850252835.db2.gz JIGCSEHNTSYFAW-UHFFFAOYSA-N 1 3 382.548 3.946 20 0 GHADHO CC(C)[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000180404132 862122285 /nfs/dbraw/zinc/12/22/85/862122285.db2.gz QIGNPXYJOIARJD-CQSZACIVSA-N 1 3 382.346 3.629 20 0 GHADHO Cc1cc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)ccc1-n1cncn1 ZINC000435424863 850504656 /nfs/dbraw/zinc/50/46/56/850504656.db2.gz BNFVINDMMOZIHO-NRFANRHFSA-N 1 3 393.560 3.782 20 0 GHADHO C[C@@H](NC(C)(C)c1cccs1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000543506556 862154733 /nfs/dbraw/zinc/15/47/33/862154733.db2.gz XGTMCOQGRZUECC-QGZVFWFLSA-N 1 3 385.577 3.742 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC[C@H]1CCC[NH2+]C1 ZINC000414827855 850813216 /nfs/dbraw/zinc/81/32/16/850813216.db2.gz KTOWTIBTGJPYPW-NEPJUHHUSA-N 1 3 377.838 3.665 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000299263459 850928165 /nfs/dbraw/zinc/92/81/65/850928165.db2.gz KKKJDKOAQLLKKR-YJBOKZPZSA-N 1 3 399.938 3.534 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000299263459 850928171 /nfs/dbraw/zinc/92/81/71/850928171.db2.gz KKKJDKOAQLLKKR-YJBOKZPZSA-N 1 3 399.938 3.534 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000514011091 851117362 /nfs/dbraw/zinc/11/73/62/851117362.db2.gz JXWKWMZUMZKPFX-OFNKIYASSA-N 1 3 394.563 3.643 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000514011091 851117370 /nfs/dbraw/zinc/11/73/70/851117370.db2.gz JXWKWMZUMZKPFX-OFNKIYASSA-N 1 3 394.563 3.643 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000514104465 851242775 /nfs/dbraw/zinc/24/27/75/851242775.db2.gz KAMGGMMPQYKLCT-IBGZPJMESA-N 1 3 375.520 3.891 20 0 GHADHO CCN(CCc1cccs1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488280497 851341199 /nfs/dbraw/zinc/34/11/99/851341199.db2.gz LVSGMGSKFNIGEG-IBGZPJMESA-N 1 3 399.604 3.782 20 0 GHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000514214399 851396395 /nfs/dbraw/zinc/39/63/95/851396395.db2.gz MYMMQPGMNDRKNP-CTNGQTDRSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000514214399 851396413 /nfs/dbraw/zinc/39/64/13/851396413.db2.gz MYMMQPGMNDRKNP-CTNGQTDRSA-N 1 3 386.584 3.633 20 0 GHADHO Fc1ccc(CC[NH+]2CCC(NC[C@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000152272562 851598992 /nfs/dbraw/zinc/59/89/92/851598992.db2.gz SVCLZDDYORYYOU-JOCHJYFZSA-N 1 3 385.527 3.852 20 0 GHADHO Fc1ccc(CCN2CCC([NH2+]C[C@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000152272562 851599004 /nfs/dbraw/zinc/59/90/04/851599004.db2.gz SVCLZDDYORYYOU-JOCHJYFZSA-N 1 3 385.527 3.852 20 0 GHADHO Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000488998549 851916418 /nfs/dbraw/zinc/91/64/18/851916418.db2.gz XJWDYZPBGXJWPQ-RBUKOAKNSA-N 1 3 383.580 3.651 20 0 GHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000516391338 852505166 /nfs/dbraw/zinc/50/51/66/852505166.db2.gz FWANKRYUQPRPRJ-XMMPIXPASA-N 1 3 391.559 3.852 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cn1 ZINC000518131627 852894480 /nfs/dbraw/zinc/89/44/80/852894480.db2.gz GJBPHVYSGWLOCP-RBBKRZOGSA-N 1 3 380.536 3.568 20 0 GHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000490883266 853329779 /nfs/dbraw/zinc/32/97/79/853329779.db2.gz JWDVNRZQRSZNFO-IAGOWNOFSA-N 1 3 385.474 3.904 20 0 GHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000490883266 853329786 /nfs/dbraw/zinc/32/97/86/853329786.db2.gz JWDVNRZQRSZNFO-IAGOWNOFSA-N 1 3 385.474 3.904 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](c4ccccc4)C[C@H]3C)CC2)CC1 ZINC000519700693 853385720 /nfs/dbraw/zinc/38/57/20/853385720.db2.gz GHXNNEHZXOCMAD-DENIHFKCSA-N 1 3 383.580 3.587 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000519935482 853646642 /nfs/dbraw/zinc/64/66/42/853646642.db2.gz VVHCCAFUAXKAGV-URVUXULASA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000519935482 853646645 /nfs/dbraw/zinc/64/66/45/853646645.db2.gz VVHCCAFUAXKAGV-URVUXULASA-N 1 3 386.584 3.552 20 0 GHADHO CC(C)CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000439447026 853666102 /nfs/dbraw/zinc/66/61/02/853666102.db2.gz FFIWUMZUJKIPEL-UHFFFAOYSA-N 1 3 394.629 3.579 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000507735287 853913277 /nfs/dbraw/zinc/91/32/77/853913277.db2.gz YTPKGOCMYCLYPM-ICSRJNTNSA-N 1 3 395.538 3.771 20 0 GHADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000571811836 854164754 /nfs/dbraw/zinc/16/47/54/854164754.db2.gz ZSUVDQCAVKOOJK-MLDBQTBOSA-N 1 3 383.580 3.620 20 0 GHADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000571811836 854164758 /nfs/dbraw/zinc/16/47/58/854164758.db2.gz ZSUVDQCAVKOOJK-MLDBQTBOSA-N 1 3 383.580 3.620 20 0 GHADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc2ccccc21 ZINC000112542213 854246701 /nfs/dbraw/zinc/24/67/01/854246701.db2.gz CKSNJBKDYDFNCL-GOSISDBHSA-N 1 3 375.516 3.982 20 0 GHADHO CN1C(=O)C2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)[C@H]1c1ccccc1 ZINC001167993761 854391533 /nfs/dbraw/zinc/39/15/33/854391533.db2.gz RNJYOELQIKNORL-HNTVYWHESA-N 1 3 393.575 3.687 20 0 GHADHO CN1C(=O)C2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)[C@H]1c1ccccc1 ZINC001167993761 854391543 /nfs/dbraw/zinc/39/15/43/854391543.db2.gz RNJYOELQIKNORL-HNTVYWHESA-N 1 3 393.575 3.687 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167994740 854429178 /nfs/dbraw/zinc/42/91/78/854429178.db2.gz MUBDXBWXTJDYDD-UNSFGCNMSA-N 1 3 389.584 3.627 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167994740 854429184 /nfs/dbraw/zinc/42/91/84/854429184.db2.gz MUBDXBWXTJDYDD-UNSFGCNMSA-N 1 3 389.584 3.627 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000482009978 862605568 /nfs/dbraw/zinc/60/55/68/862605568.db2.gz QNVYKIKSIYZIBF-SIKLNZKXSA-N 1 3 385.552 3.919 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000482009978 862605576 /nfs/dbraw/zinc/60/55/76/862605576.db2.gz QNVYKIKSIYZIBF-SIKLNZKXSA-N 1 3 385.552 3.919 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](N(C2CC2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001168389782 854834935 /nfs/dbraw/zinc/83/49/35/854834935.db2.gz WFBMKKJGFJNTJT-FQEVSTJZSA-N 1 3 377.573 3.725 20 0 GHADHO COc1ccc([C@H]2C[C@@H]([NH2+]CC3CCN(Cc4cccnc4)CC3)CCO2)cc1 ZINC001168613641 854870788 /nfs/dbraw/zinc/87/07/88/854870788.db2.gz JKYBWYZDXWJTRP-LADGPHEKSA-N 1 3 395.547 3.812 20 0 GHADHO COc1ccc([C@H]2C[C@H]([NH2+]CC3CCN(Cc4cccnc4)CC3)CCO2)cc1 ZINC001168613640 854871135 /nfs/dbraw/zinc/87/11/35/854871135.db2.gz JKYBWYZDXWJTRP-ISKFKSNPSA-N 1 3 395.547 3.812 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccc(F)cc2s1 ZINC000624650397 854991020 /nfs/dbraw/zinc/99/10/20/854991020.db2.gz ZHURGNMMVLGBTL-QGZVFWFLSA-N 1 3 377.529 3.529 20 0 GHADHO COc1ccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(C)c1 ZINC000921671514 855077209 /nfs/dbraw/zinc/07/72/09/855077209.db2.gz XDGREZRGVWNQCC-UHFFFAOYSA-N 1 3 398.547 3.783 20 0 GHADHO COc1ccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c(C)c1 ZINC000921671514 855077213 /nfs/dbraw/zinc/07/72/13/855077213.db2.gz XDGREZRGVWNQCC-UHFFFAOYSA-N 1 3 398.547 3.783 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000589950617 855203313 /nfs/dbraw/zinc/20/33/13/855203313.db2.gz FCACGNUWMLHQND-IRLDBZIGSA-N 1 3 387.543 3.515 20 0 GHADHO CC[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)s1 ZINC000180997368 862711491 /nfs/dbraw/zinc/71/14/91/862711491.db2.gz SKWWTYJSLLVJDA-INIZCTEOSA-N 1 3 379.957 3.934 20 0 GHADHO C[C@@H]1CCCCN1CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591096383 855759958 /nfs/dbraw/zinc/75/99/58/855759958.db2.gz IHVJHWJNLAFHTD-WOJBJXKFSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H]1CCCCN1CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591096383 855759964 /nfs/dbraw/zinc/75/99/64/855759964.db2.gz IHVJHWJNLAFHTD-WOJBJXKFSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCN1CCCC[C@@H]1C ZINC000591096382 855760208 /nfs/dbraw/zinc/76/02/08/855760208.db2.gz IHVJHWJNLAFHTD-VQTJNVASSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCN1CCCC[C@@H]1C ZINC000591096382 855760211 /nfs/dbraw/zinc/76/02/11/855760211.db2.gz IHVJHWJNLAFHTD-VQTJNVASSA-N 1 3 387.568 3.544 20 0 GHADHO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000567889757 862747649 /nfs/dbraw/zinc/74/76/49/862747649.db2.gz RJCJLWONOPBWEP-FUPPJEDESA-N 1 3 377.532 3.915 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000031957579 856198146 /nfs/dbraw/zinc/19/81/46/856198146.db2.gz ALZSNLPPPPIUAB-UHFFFAOYSA-N 1 3 389.609 3.620 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC[C@H](O)COc2c(C)cccc2C)CC1 ZINC000573627275 856360979 /nfs/dbraw/zinc/36/09/79/856360979.db2.gz PSNWTGNPFKRPCZ-QHCPKHFHSA-N 1 3 382.548 3.606 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427708966 856619493 /nfs/dbraw/zinc/61/94/93/856619493.db2.gz DZNMOKIWPOEMFR-HSALFYBXSA-N 1 3 397.485 3.835 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2)CC1 ZINC000485612516 856831901 /nfs/dbraw/zinc/83/19/01/856831901.db2.gz HSOKHMINWIXKEE-RJGXRXQPSA-N 1 3 398.595 3.585 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2)CC1 ZINC000485612516 856831909 /nfs/dbraw/zinc/83/19/09/856831909.db2.gz HSOKHMINWIXKEE-RJGXRXQPSA-N 1 3 398.595 3.585 20 0 GHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000485641498 856851492 /nfs/dbraw/zinc/85/14/92/856851492.db2.gz GHCPMPNIBXHOCH-GOSISDBHSA-N 1 3 393.522 3.510 20 0 GHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000485641498 856851505 /nfs/dbraw/zinc/85/15/05/856851505.db2.gz GHCPMPNIBXHOCH-GOSISDBHSA-N 1 3 393.522 3.510 20 0 GHADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428064681 857075319 /nfs/dbraw/zinc/07/53/19/857075319.db2.gz ABFGFCXZVNYWGX-OAQYLSRUSA-N 1 3 379.548 3.780 20 0 GHADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428064681 857075329 /nfs/dbraw/zinc/07/53/29/857075329.db2.gz ABFGFCXZVNYWGX-OAQYLSRUSA-N 1 3 379.548 3.780 20 0 GHADHO c1cn2c(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)c(-c3ccccc3)nc2s1 ZINC000733333775 862875115 /nfs/dbraw/zinc/87/51/15/862875115.db2.gz VWXFKSWFFKWASD-IBGZPJMESA-N 1 3 396.560 3.796 20 0 GHADHO CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)CC1CC[NH+](C)CC1 ZINC000428241510 857450264 /nfs/dbraw/zinc/45/02/64/857450264.db2.gz RCXCJIWODXZRGQ-UHFFFAOYSA-N 1 3 380.458 3.724 20 0 GHADHO OC[C@@H]1CCCN(Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@H](CO)CC3)c2)CC1 ZINC000451077509 857616910 /nfs/dbraw/zinc/61/69/10/857616910.db2.gz KNZGEGFAOLFNEG-RTBURBONSA-N 1 3 394.987 3.529 20 0 GHADHO OC[C@@H]1CCCN(Cc2cc(Cl)cc(C[N@H+]3CCC[C@@H](CO)CC3)c2)CC1 ZINC000451077509 857616918 /nfs/dbraw/zinc/61/69/18/857616918.db2.gz KNZGEGFAOLFNEG-RTBURBONSA-N 1 3 394.987 3.529 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000486476162 857774342 /nfs/dbraw/zinc/77/43/42/857774342.db2.gz ZELBHDNSXFOUPY-UNMCSNQZSA-N 1 3 398.595 3.571 20 0 GHADHO CN(CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000065541915 857815442 /nfs/dbraw/zinc/81/54/42/857815442.db2.gz DNTPURDVSSCWJU-UHFFFAOYSA-N 1 3 394.563 3.604 20 0 GHADHO CCCN1CCN(c2ccccc2CNc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000676323636 857826072 /nfs/dbraw/zinc/82/60/72/857826072.db2.gz ICMAAPXQDGFFBM-UHFFFAOYSA-N 1 3 380.580 3.935 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000574445149 857886282 /nfs/dbraw/zinc/88/62/82/857886282.db2.gz RPXHBSRWSDHYBN-JQVVWYNYSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000574445149 857886290 /nfs/dbraw/zinc/88/62/90/857886290.db2.gz RPXHBSRWSDHYBN-JQVVWYNYSA-N 1 3 388.577 3.777 20 0 GHADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000443064447 858332722 /nfs/dbraw/zinc/33/27/22/858332722.db2.gz YGHPRUCLHAKOEX-HTAPYJJXSA-N 1 3 385.939 3.606 20 0 GHADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000191070283 858455454 /nfs/dbraw/zinc/45/54/54/858455454.db2.gz YWYGOKQVJWNIMS-HXUWFJFHSA-N 1 3 378.438 3.870 20 0 GHADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000191070283 858455457 /nfs/dbraw/zinc/45/54/57/858455457.db2.gz YWYGOKQVJWNIMS-HXUWFJFHSA-N 1 3 378.438 3.870 20 0 GHADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)COCc1ccc(Cl)cc1 ZINC000574983087 858483595 /nfs/dbraw/zinc/48/35/95/858483595.db2.gz XKKXSUCWRRKQCG-QFIPXVFZSA-N 1 3 388.939 3.603 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000521974596 858503324 /nfs/dbraw/zinc/50/33/24/858503324.db2.gz XNVPBBVBSIGGBH-IRLDBZIGSA-N 1 3 386.584 3.553 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000499682937 858823135 /nfs/dbraw/zinc/82/31/35/858823135.db2.gz KSDXULYLUIBJIB-ZEQRLZLVSA-N 1 3 398.522 3.872 20 0 GHADHO C[C@@H]1CCN(CC(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)C1 ZINC001143616532 858995154 /nfs/dbraw/zinc/99/51/54/858995154.db2.gz XNRWNQRIDLXGQX-OAQYLSRUSA-N 1 3 393.575 3.898 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000522317521 859030330 /nfs/dbraw/zinc/03/03/30/859030330.db2.gz QQSWBBOWKVPTJX-FQEVSTJZSA-N 1 3 388.600 3.579 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000522317521 859030335 /nfs/dbraw/zinc/03/03/35/859030335.db2.gz QQSWBBOWKVPTJX-FQEVSTJZSA-N 1 3 388.600 3.579 20 0 GHADHO COc1c(Cl)cc(Cl)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000237302260 859691660 /nfs/dbraw/zinc/69/16/60/859691660.db2.gz HKFAPQWGXUIVGY-OKILXGFUSA-N 1 3 375.340 3.981 20 0 GHADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484152146 859839147 /nfs/dbraw/zinc/83/91/47/859839147.db2.gz OVNUWXJJFQCVRA-FGCOXFRFSA-N 1 3 380.532 3.545 20 0 GHADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484152146 859839151 /nfs/dbraw/zinc/83/91/51/859839151.db2.gz OVNUWXJJFQCVRA-FGCOXFRFSA-N 1 3 380.532 3.545 20 0 GHADHO C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000765371815 859932989 /nfs/dbraw/zinc/93/29/89/859932989.db2.gz PESPEQBXCVZBAQ-IBGZPJMESA-N 1 3 395.547 3.714 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1 ZINC000123882307 860127061 /nfs/dbraw/zinc/12/70/61/860127061.db2.gz NDVXTURAEIBVNN-UHFFFAOYSA-N 1 3 380.319 3.575 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011439 860530958 /nfs/dbraw/zinc/53/09/58/860530958.db2.gz AWQJZWDBFNAQGK-YLJYHZDGSA-N 1 3 394.991 3.706 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011439 860530963 /nfs/dbraw/zinc/53/09/63/860530963.db2.gz AWQJZWDBFNAQGK-YLJYHZDGSA-N 1 3 394.991 3.706 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000125397985 860656448 /nfs/dbraw/zinc/65/64/48/860656448.db2.gz OKMIMXSYIRNCID-HXUWFJFHSA-N 1 3 394.563 3.554 20 0 GHADHO Cc1ccccc1OCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856597514 881572082 /nfs/dbraw/zinc/57/20/82/881572082.db2.gz ITIWUASURUWGKG-JOCHJYFZSA-N 1 3 383.536 3.762 20 0 GHADHO Cc1ccccc1OCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856597514 881572087 /nfs/dbraw/zinc/57/20/87/881572087.db2.gz ITIWUASURUWGKG-JOCHJYFZSA-N 1 3 383.536 3.762 20 0 GHADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600064252 860877812 /nfs/dbraw/zinc/87/78/12/860877812.db2.gz WEXQZDZMTKQZAG-FQEVSTJZSA-N 1 3 385.596 3.566 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000482529257 863260153 /nfs/dbraw/zinc/26/01/53/863260153.db2.gz BBSMFYOQCISOKP-DENIHFKCSA-N 1 3 395.547 3.504 20 0 GHADHO COc1ccccc1-c1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000532270652 881642503 /nfs/dbraw/zinc/64/25/03/881642503.db2.gz RRGBPORNPCHNKN-DHIUTWEWSA-N 1 3 380.532 3.830 20 0 GHADHO COc1ccccc1-c1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000532270654 881643897 /nfs/dbraw/zinc/64/38/97/881643897.db2.gz RRGBPORNPCHNKN-PKTZIBPZSA-N 1 3 380.532 3.830 20 0 GHADHO Cc1nc2ccccc2nc1C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177488188 863846422 /nfs/dbraw/zinc/84/64/22/863846422.db2.gz LVERBTGSSUDCGU-HDICACEKSA-N 1 3 382.552 3.650 20 0 GHADHO Cc1nc2ccccc2nc1CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177488188 863846431 /nfs/dbraw/zinc/84/64/31/863846431.db2.gz LVERBTGSSUDCGU-HDICACEKSA-N 1 3 382.552 3.650 20 0 GHADHO Cc1nc2ccccc2nc1CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177488188 863846441 /nfs/dbraw/zinc/84/64/41/863846441.db2.gz LVERBTGSSUDCGU-HDICACEKSA-N 1 3 382.552 3.650 20 0 GHADHO Cc1nc2ccccc2nc1C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177488223 863846603 /nfs/dbraw/zinc/84/66/03/863846603.db2.gz LVERBTGSSUDCGU-ROUUACIJSA-N 1 3 382.552 3.650 20 0 GHADHO Cc1nc2ccccc2nc1CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177488223 863846614 /nfs/dbraw/zinc/84/66/14/863846614.db2.gz LVERBTGSSUDCGU-ROUUACIJSA-N 1 3 382.552 3.650 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCCc2nc3ccccc3[nH]2)CC1 ZINC000532296147 881705275 /nfs/dbraw/zinc/70/52/75/881705275.db2.gz URAKCNAJKRNDCB-UHFFFAOYSA-N 1 3 391.563 3.817 20 0 GHADHO C[NH+](C)CCCOc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000103125772 863925073 /nfs/dbraw/zinc/92/50/73/863925073.db2.gz NXIZEFGYIMOZIJ-UHFFFAOYSA-N 1 3 395.547 3.543 20 0 GHADHO O=c1[nH]ccc2oc(CN[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC000898516932 864073156 /nfs/dbraw/zinc/07/31/56/864073156.db2.gz FRJJSSHUNIKXFG-CEXWTWQISA-N 1 3 377.488 3.924 20 0 GHADHO O=c1[nH]ccc2oc(CN[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC000898516932 864073171 /nfs/dbraw/zinc/07/31/71/864073171.db2.gz FRJJSSHUNIKXFG-CEXWTWQISA-N 1 3 377.488 3.924 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000554310888 864112008 /nfs/dbraw/zinc/11/20/08/864112008.db2.gz SXRCZKASWPKKJT-UHFFFAOYSA-N 1 3 393.522 3.539 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000554310888 864112012 /nfs/dbraw/zinc/11/20/12/864112012.db2.gz SXRCZKASWPKKJT-UHFFFAOYSA-N 1 3 393.522 3.539 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000475116204 864242921 /nfs/dbraw/zinc/24/29/21/864242921.db2.gz HVNOINYBDYHQPN-KNQAVFIVSA-N 1 3 398.595 3.918 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000480230108 864311535 /nfs/dbraw/zinc/31/15/35/864311535.db2.gz QZEBGQDDBOJJSN-IEZKXTBUSA-N 1 3 393.575 3.560 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000480230108 864311543 /nfs/dbraw/zinc/31/15/43/864311543.db2.gz QZEBGQDDBOJJSN-IEZKXTBUSA-N 1 3 393.575 3.560 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000480230117 864312012 /nfs/dbraw/zinc/31/20/12/864312012.db2.gz QZEBGQDDBOJJSN-ZODMCCGTSA-N 1 3 393.575 3.560 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000480230117 864312016 /nfs/dbraw/zinc/31/20/16/864312016.db2.gz QZEBGQDDBOJJSN-ZODMCCGTSA-N 1 3 393.575 3.560 20 0 GHADHO Cc1nn(C(C)C)c(C)c1CN1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC001183045419 912213727 /nfs/dbraw/zinc/21/37/27/912213727.db2.gz JKAVMHHJDOGYEZ-QFIPXVFZSA-N 1 3 399.583 3.969 20 0 GHADHO Cc1nn(C(C)C)c(C)c1CN1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC001183045419 912213746 /nfs/dbraw/zinc/21/37/46/912213746.db2.gz JKAVMHHJDOGYEZ-QFIPXVFZSA-N 1 3 399.583 3.969 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000163654652 864548715 /nfs/dbraw/zinc/54/87/15/864548715.db2.gz XQQZFTKKWXVVQB-UHFFFAOYSA-N 1 3 385.527 3.522 20 0 GHADHO CCCC[NH+]1CCC(N[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000164485204 864617364 /nfs/dbraw/zinc/61/73/64/864617364.db2.gz MNMHOTWTNJJZKH-QGZVFWFLSA-N 1 3 379.976 3.931 20 0 GHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@H](C)C1 ZINC000165418576 864670474 /nfs/dbraw/zinc/67/04/74/864670474.db2.gz XAAMBGIXXZIAAE-SJLPKXTDSA-N 1 3 385.508 3.711 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480719096 865160787 /nfs/dbraw/zinc/16/07/87/865160787.db2.gz XIDBMJXSJMCYBD-RBBKRZOGSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480719096 865160791 /nfs/dbraw/zinc/16/07/91/865160791.db2.gz XIDBMJXSJMCYBD-RBBKRZOGSA-N 1 3 383.580 3.764 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726177 865179003 /nfs/dbraw/zinc/17/90/03/865179003.db2.gz HJRXGZYUHIHKLE-FXAWDEMLSA-N 1 3 377.598 3.902 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726177 865179007 /nfs/dbraw/zinc/17/90/07/865179007.db2.gz HJRXGZYUHIHKLE-FXAWDEMLSA-N 1 3 377.598 3.902 20 0 GHADHO C[C@@H](C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)c1ccccc1 ZINC000494563499 881916299 /nfs/dbraw/zinc/91/62/99/881916299.db2.gz NQZNTGCJSYGSTD-NRFANRHFSA-N 1 3 393.575 3.750 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000121092666 881918338 /nfs/dbraw/zinc/91/83/38/881918338.db2.gz YSZSTAPDFIQQHD-AWEZNQCLSA-N 1 3 381.948 3.918 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCN(C)[C@H]3c3ccccc3)C2)CC1 ZINC000533987347 865926202 /nfs/dbraw/zinc/92/62/02/865926202.db2.gz YJTAJOXKKBWPJH-PMVMPFDFSA-N 1 3 398.595 3.585 20 0 GHADHO C[C@H]1CN(Cc2cccc(CNC3CC[NH+](C4CCCCC4)CC3)c2)CCO1 ZINC000153456663 866489046 /nfs/dbraw/zinc/48/90/46/866489046.db2.gz YGKZGMFACVZSHS-FQEVSTJZSA-N 1 3 385.596 3.794 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000582249059 866567422 /nfs/dbraw/zinc/56/74/22/866567422.db2.gz CTXFJSYZGOBEIG-QHCPKHFHSA-N 1 3 383.580 3.719 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000478750750 866588051 /nfs/dbraw/zinc/58/80/51/866588051.db2.gz OQSLTLSQPUMROI-GHTZIAJQSA-N 1 3 398.551 3.804 20 0 GHADHO C[C@H](Cc1cccc(Cl)c1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000153784006 867076938 /nfs/dbraw/zinc/07/69/38/867076938.db2.gz JYVALSSPQYXNAF-GOSISDBHSA-N 1 3 391.987 3.585 20 0 GHADHO CN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000857153238 882062096 /nfs/dbraw/zinc/06/20/96/882062096.db2.gz UTNCMRWHDHQOTN-BJKOFHAPSA-N 1 3 391.559 3.842 20 0 GHADHO CN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000857153238 882062118 /nfs/dbraw/zinc/06/21/18/882062118.db2.gz UTNCMRWHDHQOTN-BJKOFHAPSA-N 1 3 391.559 3.842 20 0 GHADHO CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000455925364 867294818 /nfs/dbraw/zinc/29/48/18/867294818.db2.gz NAWLQALTMUSDJC-JTHBVZDNSA-N 1 3 392.547 3.974 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](c4ccccc4)CC3)CC2)CC1 ZINC000171323044 882099035 /nfs/dbraw/zinc/09/90/35/882099035.db2.gz SLYTWVCMEJMIAQ-NRFANRHFSA-N 1 3 398.595 3.524 20 0 GHADHO C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000155972440 868202463 /nfs/dbraw/zinc/20/24/63/868202463.db2.gz HARFPTIZYLTBAW-HNNXBMFYSA-N 1 3 390.911 3.902 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000523880113 868225573 /nfs/dbraw/zinc/22/55/73/868225573.db2.gz QQDIUWGSUZDBFA-DHIUTWEWSA-N 1 3 398.595 3.571 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000156596209 868411127 /nfs/dbraw/zinc/41/11/27/868411127.db2.gz IVHUKNFUQBAXQJ-BJKOFHAPSA-N 1 3 391.559 3.875 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000156596209 868411134 /nfs/dbraw/zinc/41/11/34/868411134.db2.gz IVHUKNFUQBAXQJ-BJKOFHAPSA-N 1 3 391.559 3.875 20 0 GHADHO Fc1ccc([C@@H](NCC2CC[NH+](Cc3ccccc3)CC2)c2c[nH]nn2)cc1 ZINC000671105682 868510857 /nfs/dbraw/zinc/51/08/57/868510857.db2.gz TXHGMKIGKMVIFQ-JOCHJYFZSA-N 1 3 379.483 3.535 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccco1 ZINC000479790046 868528573 /nfs/dbraw/zinc/52/85/73/868528573.db2.gz QNOWVJPBDTVABP-SESVDKBCSA-N 1 3 398.551 3.845 20 0 GHADHO CN(C)[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000157436487 868653844 /nfs/dbraw/zinc/65/38/44/868653844.db2.gz UYFVJPWCWAGOPS-JOCHJYFZSA-N 1 3 379.548 3.708 20 0 GHADHO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000535385838 868671366 /nfs/dbraw/zinc/67/13/66/868671366.db2.gz SSQHZJOMNPLWMQ-GASCZTMLSA-N 1 3 376.570 3.561 20 0 GHADHO COCC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793577586 882283966 /nfs/dbraw/zinc/28/39/66/882283966.db2.gz VQRTXNQRZHPEGX-UHFFFAOYSA-N 1 3 397.604 3.503 20 0 GHADHO COCCN(C)c1ccc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)cn1 ZINC000190906413 882302924 /nfs/dbraw/zinc/30/29/24/882302924.db2.gz QDLJRRGPEAOLJA-UHFFFAOYSA-N 1 3 396.579 3.830 20 0 GHADHO COc1cccc([C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)N(C)C)c1 ZINC000133665890 882325618 /nfs/dbraw/zinc/32/56/18/882325618.db2.gz PLCDKVPHSBCBRI-DEOSSOPVSA-N 1 3 399.554 3.734 20 0 GHADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000539909002 870007000 /nfs/dbraw/zinc/00/70/00/870007000.db2.gz OROWFPIXDZNGMY-JOCHJYFZSA-N 1 3 392.547 3.571 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n(C)c1C ZINC000462787969 870079800 /nfs/dbraw/zinc/07/98/00/870079800.db2.gz NFDSQSUNWHAZJN-KRWDZBQOSA-N 1 3 383.536 3.642 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n(C)c1C ZINC000462787969 870079810 /nfs/dbraw/zinc/07/98/10/870079810.db2.gz NFDSQSUNWHAZJN-KRWDZBQOSA-N 1 3 383.536 3.642 20 0 GHADHO CC(C)NC(=O)CCN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462803112 870122737 /nfs/dbraw/zinc/12/27/37/870122737.db2.gz NDQFBWFKCCMWFK-NRFANRHFSA-N 1 3 377.548 3.883 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248445919 870425598 /nfs/dbraw/zinc/42/55/98/870425598.db2.gz MRPJVZHCUBNISW-NQIIRXRSSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248445919 870425611 /nfs/dbraw/zinc/42/56/11/870425611.db2.gz MRPJVZHCUBNISW-NQIIRXRSSA-N 1 3 386.923 3.910 20 0 GHADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H](c2ccc(F)cc2)CC1)c1ccccc1 ZINC001192515710 870450108 /nfs/dbraw/zinc/45/01/08/870450108.db2.gz RFZDZDKUQHIUBV-CVDCTZTESA-N 1 3 397.538 3.814 20 0 GHADHO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)o1 ZINC000538723921 870519482 /nfs/dbraw/zinc/51/94/82/870519482.db2.gz GWJJZERGUBFVDD-GCJKJVERSA-N 1 3 385.527 3.852 20 0 GHADHO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)o1 ZINC000538723921 870519488 /nfs/dbraw/zinc/51/94/88/870519488.db2.gz GWJJZERGUBFVDD-GCJKJVERSA-N 1 3 385.527 3.852 20 0 GHADHO O[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC[C@@H](C(F)(F)F)C1 ZINC000249178333 870781085 /nfs/dbraw/zinc/78/10/85/870781085.db2.gz GMSYOALLPRZNEH-YMQHIKHWSA-N 1 3 396.497 3.970 20 0 GHADHO COC(=O)[C@](C)(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000447092271 870978963 /nfs/dbraw/zinc/97/89/63/870978963.db2.gz AIJMOLIWJKJIFR-XMMPIXPASA-N 1 3 398.522 3.553 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(c3cccc(Br)c3)CCOCC1)C2 ZINC001169109586 871235051 /nfs/dbraw/zinc/23/50/51/871235051.db2.gz DYRVNBRCAACOCO-NNZMDNLPSA-N 1 3 379.342 3.670 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(c3cccc(Br)c3)CCOCC1)C2 ZINC001169109586 871235062 /nfs/dbraw/zinc/23/50/62/871235062.db2.gz DYRVNBRCAACOCO-NNZMDNLPSA-N 1 3 379.342 3.670 20 0 GHADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000252646010 871339121 /nfs/dbraw/zinc/33/91/21/871339121.db2.gz DEJRPBXOHATQJW-RTBURBONSA-N 1 3 392.613 3.504 20 0 GHADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000252646010 871339143 /nfs/dbraw/zinc/33/91/43/871339143.db2.gz DEJRPBXOHATQJW-RTBURBONSA-N 1 3 392.613 3.504 20 0 GHADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3cn4ccccc4n3)cc2)C[C@H]1C ZINC000539228010 871542389 /nfs/dbraw/zinc/54/23/89/871542389.db2.gz VFFCZFHGMPVZPQ-WOJBJXKFSA-N 1 3 392.547 3.633 20 0 GHADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3cn4ccccc4n3)cc2)C[C@@H]1C ZINC000539228009 871542483 /nfs/dbraw/zinc/54/24/83/871542483.db2.gz VFFCZFHGMPVZPQ-PMACEKPBSA-N 1 3 392.547 3.633 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001169539888 871617671 /nfs/dbraw/zinc/61/76/71/871617671.db2.gz KMQOEQMYYQZWEK-UEVCKROQSA-N 1 3 379.548 3.706 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000462164617 871722326 /nfs/dbraw/zinc/72/23/26/871722326.db2.gz NTNNQOZGEVKHJU-CYFREDJKSA-N 1 3 391.559 3.921 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000462164617 871722343 /nfs/dbraw/zinc/72/23/43/871722343.db2.gz NTNNQOZGEVKHJU-CYFREDJKSA-N 1 3 391.559 3.921 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462188677 871752774 /nfs/dbraw/zinc/75/27/74/871752774.db2.gz LLMWVNFPNSSEQF-CVDCTZTESA-N 1 3 379.548 3.779 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001169743611 871815179 /nfs/dbraw/zinc/81/51/79/871815179.db2.gz CRJCQAARIFMZIP-HSZRJFAPSA-N 1 3 383.580 3.926 20 0 GHADHO CC(C)c1noc(CCC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)n1 ZINC000539396647 871910329 /nfs/dbraw/zinc/91/03/29/871910329.db2.gz LSUGUIJXSJANPU-GOSISDBHSA-N 1 3 384.524 3.703 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000552063164 871964349 /nfs/dbraw/zinc/96/43/49/871964349.db2.gz QTVHUYMRWGVNJY-XQUALCHDSA-N 1 3 398.591 3.995 20 0 GHADHO [NH3+]C1(c2ccccc2C(F)(F)F)CCN([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926628 872042568 /nfs/dbraw/zinc/04/25/68/872042568.db2.gz ZKHRFIFLTRUJAT-HNNXBMFYSA-N 1 3 384.442 3.641 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H](CO)Cc3ccc(F)c(F)c3)CC2)C1 ZINC000477924604 872155712 /nfs/dbraw/zinc/15/57/12/872155712.db2.gz GAUDSYCKPPTCLD-KPFFTGBYSA-N 1 3 380.523 3.749 20 0 GHADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)CN1CCCC1 ZINC000477926153 872155831 /nfs/dbraw/zinc/15/58/31/872155831.db2.gz FWWUNOFLUQFDKT-RTBURBONSA-N 1 3 397.563 3.696 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477916619 872176400 /nfs/dbraw/zinc/17/64/00/872176400.db2.gz RDRPOKLOLBVURM-OAHLLOKOSA-N 1 3 396.373 3.878 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477916619 872176405 /nfs/dbraw/zinc/17/64/05/872176405.db2.gz RDRPOKLOLBVURM-OAHLLOKOSA-N 1 3 396.373 3.878 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030926 872380703 /nfs/dbraw/zinc/38/07/03/872380703.db2.gz YKZZFQJSEFDODS-VQTJNVASSA-N 1 3 379.548 3.819 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030926 872380719 /nfs/dbraw/zinc/38/07/19/872380719.db2.gz YKZZFQJSEFDODS-VQTJNVASSA-N 1 3 379.548 3.819 20 0 GHADHO CN1CC[NH+](CCCCN[C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000540920924 872509732 /nfs/dbraw/zinc/50/97/32/872509732.db2.gz QNGOZFWBWCLDBV-HSZRJFAPSA-N 1 3 378.520 3.534 20 0 GHADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@H]1C ZINC000619428826 872641073 /nfs/dbraw/zinc/64/10/73/872641073.db2.gz XMAROVHTUGJUSI-YBJBBGNCSA-N 1 3 384.564 3.855 20 0 GHADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000768686158 873526257 /nfs/dbraw/zinc/52/62/57/873526257.db2.gz IHRSLDJNWNGNFR-GOSISDBHSA-N 1 3 397.563 3.696 20 0 GHADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)N1CCCC1 ZINC000528012880 873884100 /nfs/dbraw/zinc/88/41/00/873884100.db2.gz BRFUIPHAWGQUTE-FDFHNCONSA-N 1 3 383.580 3.525 20 0 GHADHO CC[C@H](NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000541768457 874261607 /nfs/dbraw/zinc/26/16/07/874261607.db2.gz PWHCVRVKZZMHJA-IPJJNNNSSA-N 1 3 384.568 3.670 20 0 GHADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000541904568 874524426 /nfs/dbraw/zinc/52/44/26/874524426.db2.gz SJSOPARHRYQNMM-NRTAZHGZSA-N 1 3 376.548 3.533 20 0 GHADHO C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449180280 874573351 /nfs/dbraw/zinc/57/33/51/874573351.db2.gz ZKNAFUHOXNDVPU-KRWDZBQOSA-N 1 3 378.582 3.580 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000770327201 874601888 /nfs/dbraw/zinc/60/18/88/874601888.db2.gz RFUVINDFGNNTBT-JTHBVZDNSA-N 1 3 397.563 3.900 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000770327201 874601902 /nfs/dbraw/zinc/60/19/02/874601902.db2.gz RFUVINDFGNNTBT-JTHBVZDNSA-N 1 3 397.563 3.900 20 0 GHADHO COc1ccc(COCCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000449247246 874651829 /nfs/dbraw/zinc/65/18/29/874651829.db2.gz FMXCQZBPMRWLNF-FQEVSTJZSA-N 1 3 382.548 3.897 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC000449320802 874727935 /nfs/dbraw/zinc/72/79/35/874727935.db2.gz PUHVYMBIMUDCDA-XHCCPWGMSA-N 1 3 384.589 3.750 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCC4(C[C@@H]3F)OCCO4)cc2)C1 ZINC001199265569 874882259 /nfs/dbraw/zinc/88/22/59/874882259.db2.gz BWRHSWHHFVQXTO-JRGCBEDISA-N 1 3 376.516 3.642 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCC4(C[C@@H]3F)OCCO4)cc2)C1 ZINC001199265569 874882267 /nfs/dbraw/zinc/88/22/67/874882267.db2.gz BWRHSWHHFVQXTO-JRGCBEDISA-N 1 3 376.516 3.642 20 0 GHADHO CC(C)(C)O[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1n1cccn1 ZINC000449657071 875191036 /nfs/dbraw/zinc/19/10/36/875191036.db2.gz NNNNODCJAJPVSK-DNVJHFABSA-N 1 3 396.579 3.677 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000105441654 875297815 /nfs/dbraw/zinc/29/78/15/875297815.db2.gz TXGVCSBZGGYRMH-QGZVFWFLSA-N 1 3 398.576 3.920 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)N1CCCCC1 ZINC000465200396 875312307 /nfs/dbraw/zinc/31/23/07/875312307.db2.gz PWIQVQJKNYGBJB-SIKLNZKXSA-N 1 3 387.568 3.856 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)N1CCCCC1 ZINC000465200396 875312321 /nfs/dbraw/zinc/31/23/21/875312321.db2.gz PWIQVQJKNYGBJB-SIKLNZKXSA-N 1 3 387.568 3.856 20 0 GHADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000528997212 875419145 /nfs/dbraw/zinc/41/91/45/875419145.db2.gz XANNUKYZUROXOL-UEVCKROQSA-N 1 3 383.580 3.547 20 0 GHADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000528997212 875419151 /nfs/dbraw/zinc/41/91/51/875419151.db2.gz XANNUKYZUROXOL-UEVCKROQSA-N 1 3 383.580 3.547 20 0 GHADHO CC[NH+](CC)CCSCC(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000172729344 875886919 /nfs/dbraw/zinc/88/69/19/875886919.db2.gz XDLLVLTZQIKEFK-UHFFFAOYSA-N 1 3 395.638 3.557 20 0 GHADHO Cc1cc(Br)cc(CN[C@@H]2CC23CC[NH2+]CC3)c1OC(F)F ZINC000666953824 882974950 /nfs/dbraw/zinc/97/49/50/882974950.db2.gz ILOWJDUBGRFUIX-CYBMUJFWSA-N 1 3 375.257 3.591 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC001201955018 875953564 /nfs/dbraw/zinc/95/35/64/875953564.db2.gz YAQJTUHLFXMFQM-OAQYLSRUSA-N 1 3 396.922 3.587 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC001201955018 875953569 /nfs/dbraw/zinc/95/35/69/875953569.db2.gz YAQJTUHLFXMFQM-OAQYLSRUSA-N 1 3 396.922 3.587 20 0 GHADHO COc1ccc2c(NC[C@@H](c3ccc(OC)c(OC)c3)N(C)C)cc[nH+]c2c1 ZINC000785717911 876224369 /nfs/dbraw/zinc/22/43/69/876224369.db2.gz NZLBQKIZRWUZHF-FQEVSTJZSA-N 1 3 381.476 3.975 20 0 GHADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000564325974 883035287 /nfs/dbraw/zinc/03/52/87/883035287.db2.gz RLCVNKCGRBGPKN-UHFFFAOYSA-N 1 3 380.989 3.779 20 0 GHADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000564325974 883035305 /nfs/dbraw/zinc/03/53/05/883035305.db2.gz RLCVNKCGRBGPKN-UHFFFAOYSA-N 1 3 380.989 3.779 20 0 GHADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786791471 876941665 /nfs/dbraw/zinc/94/16/65/876941665.db2.gz YOLWRWMITHVLHT-GOSISDBHSA-N 1 3 380.536 3.909 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816428 876972109 /nfs/dbraw/zinc/97/21/09/876972109.db2.gz VOCGLFXACFNCLA-CTNGQTDRSA-N 1 3 392.547 3.779 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816428 876972115 /nfs/dbraw/zinc/97/21/15/876972115.db2.gz VOCGLFXACFNCLA-CTNGQTDRSA-N 1 3 392.547 3.779 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995265 877424224 /nfs/dbraw/zinc/42/42/24/877424224.db2.gz IVFYWKLOFONDJH-HIFRSBDPSA-N 1 3 385.430 3.567 20 0 GHADHO COC(=O)COc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245781612 878590101 /nfs/dbraw/zinc/59/01/01/878590101.db2.gz YZDMNQGCNIOYMP-DKUWSORSSA-N 1 3 394.515 3.524 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000537969777 878640670 /nfs/dbraw/zinc/64/06/70/878640670.db2.gz QIKQVCRWRHLXDK-RCCFBDPRSA-N 1 3 395.975 3.845 20 0 GHADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000177842673 878883261 /nfs/dbraw/zinc/88/32/61/878883261.db2.gz DEJRPBXOHATQJW-OALUTQOASA-N 1 3 392.613 3.504 20 0 GHADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000177842673 878883273 /nfs/dbraw/zinc/88/32/73/878883273.db2.gz DEJRPBXOHATQJW-OALUTQOASA-N 1 3 392.613 3.504 20 0 GHADHO OCCC[C@H]1CCN(Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](CCCO)C3)c2)C1 ZINC000452119787 878966748 /nfs/dbraw/zinc/96/67/48/878966748.db2.gz LDMWASUQTNAHRM-OALUTQOASA-N 1 3 394.987 3.529 20 0 GHADHO OCCC[C@H]1CCN(Cc2cc(Cl)cc(C[N@H+]3CC[C@H](CCCO)C3)c2)C1 ZINC000452119787 878966760 /nfs/dbraw/zinc/96/67/60/878966760.db2.gz LDMWASUQTNAHRM-OALUTQOASA-N 1 3 394.987 3.529 20 0 GHADHO C[C@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC[N@@H+](C2CC2)C1 ZINC000452175308 879045758 /nfs/dbraw/zinc/04/57/58/879045758.db2.gz SLNNBEYNGGROHZ-HXUWFJFHSA-N 1 3 391.559 3.875 20 0 GHADHO C[C@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC[N@H+](C2CC2)C1 ZINC000452175308 879045773 /nfs/dbraw/zinc/04/57/73/879045773.db2.gz SLNNBEYNGGROHZ-HXUWFJFHSA-N 1 3 391.559 3.875 20 0 GHADHO CC1CC[NH+](CCN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000465394875 879505871 /nfs/dbraw/zinc/50/58/71/879505871.db2.gz MNUJLVBKLDZFOF-UHFFFAOYSA-N 1 3 383.502 3.945 20 0 GHADHO Cc1nn(C)c2ncc(CNCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc12 ZINC000237527904 879550638 /nfs/dbraw/zinc/55/06/38/879550638.db2.gz YNLQBRABEOHKLM-QGZVFWFLSA-N 1 3 377.536 3.798 20 0 GHADHO Cc1nn(C)c2ncc(CNCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc12 ZINC000237527904 879550654 /nfs/dbraw/zinc/55/06/54/879550654.db2.gz YNLQBRABEOHKLM-QGZVFWFLSA-N 1 3 377.536 3.798 20 0 GHADHO CC[C@@H](C)CN(C)c1ccc(F)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000531610578 880184718 /nfs/dbraw/zinc/18/47/18/880184718.db2.gz MAOCLVPAPFCGGN-GOSISDBHSA-N 1 3 379.564 3.633 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cccc(OC)c2OC)CC1 ZINC000531785888 880479130 /nfs/dbraw/zinc/47/91/30/880479130.db2.gz YOTMPHYWWVHXKP-UHFFFAOYSA-N 1 3 397.563 3.568 20 0 GHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(N4CCOCC4)CCCCC3)CC2)C1 ZINC000531947950 880807631 /nfs/dbraw/zinc/80/76/31/880807631.db2.gz SGBZOKGPXFDKKX-UNMCSNQZSA-N 1 3 377.617 3.654 20 0 GHADHO CCCCCOc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1OC ZINC000532016121 880931137 /nfs/dbraw/zinc/93/11/37/880931137.db2.gz SQBGFQYBOSGSTL-NHCUHLMSSA-N 1 3 390.568 3.732 20 0 GHADHO COCCOc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000499143558 881268981 /nfs/dbraw/zinc/26/89/81/881268981.db2.gz TYRLYFGLEMKKRR-WBDAEOGXSA-N 1 3 380.532 3.997 20 0 GHADHO Cc1cc(Cl)cc(C)c1CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000120157730 881338647 /nfs/dbraw/zinc/33/86/47/881338647.db2.gz YFTOIZXYUBNFQU-HXUWFJFHSA-N 1 3 399.966 3.944 20 0 GHADHO Cc1cc(Cl)cc(C)c1CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000120157730 881338670 /nfs/dbraw/zinc/33/86/70/881338670.db2.gz YFTOIZXYUBNFQU-HXUWFJFHSA-N 1 3 399.966 3.944 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)ccc1OC ZINC000182294297 883214269 /nfs/dbraw/zinc/21/42/69/883214269.db2.gz XZJASDYCNQBHMU-GOSISDBHSA-N 1 3 399.583 3.748 20 0 GHADHO Fc1cc(Cl)cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211910309 883231910 /nfs/dbraw/zinc/23/19/10/883231910.db2.gz BBNZMTGVPZGKHC-GOSISDBHSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1cc(Cl)cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211910309 883231928 /nfs/dbraw/zinc/23/19/28/883231928.db2.gz BBNZMTGVPZGKHC-GOSISDBHSA-N 1 3 398.869 3.718 20 0 GHADHO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184095094 883317105 /nfs/dbraw/zinc/31/71/05/883317105.db2.gz ZIHQIGOMFYWVKN-JPYJTQIMSA-N 1 3 398.595 3.558 20 0 GHADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(C2CC2)c1 ZINC000551141041 883375085 /nfs/dbraw/zinc/37/50/85/883375085.db2.gz FCWNMZCMPXMUTH-MBSDFSHPSA-N 1 3 379.548 3.504 20 0 GHADHO Fc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc1Cl ZINC001211910719 883411093 /nfs/dbraw/zinc/41/10/93/883411093.db2.gz JQGQJLZLZHLCBP-MRXNPFEDSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc1Cl ZINC001211910719 883411099 /nfs/dbraw/zinc/41/10/99/883411099.db2.gz JQGQJLZLZHLCBP-MRXNPFEDSA-N 1 3 398.869 3.718 20 0 GHADHO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000476949422 883429057 /nfs/dbraw/zinc/42/90/57/883429057.db2.gz FJVNYWGSZRTZMQ-AUSIDOKSSA-N 1 3 394.563 3.773 20 0 GHADHO CC(C)(C)OC1CC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000551263638 883572374 /nfs/dbraw/zinc/57/23/74/883572374.db2.gz CTZARIIAHARYIV-ITAUSPCMSA-N 1 3 386.580 3.851 20 0 GHADHO COc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1OCc1ccncc1 ZINC000194062730 883655287 /nfs/dbraw/zinc/65/52/87/883655287.db2.gz ORVUKDSMDQIFLQ-UHFFFAOYSA-N 1 3 381.520 3.633 20 0 GHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000194062486 883655420 /nfs/dbraw/zinc/65/54/20/883655420.db2.gz BOLYCXXFRBWQAI-AWEZNQCLSA-N 1 3 383.458 3.887 20 0 GHADHO c1cc2cc(-c3noc([C@H]4C[N@@H+](Cc5ccccc5)CC45CNC5)n3)ccc2o1 ZINC001211911965 883988729 /nfs/dbraw/zinc/98/87/29/883988729.db2.gz WFROIKHSCCFXPV-LJQANCHMSA-N 1 3 386.455 3.672 20 0 GHADHO c1cc2cc(-c3noc([C@H]4C[N@H+](Cc5ccccc5)CC45CNC5)n3)ccc2o1 ZINC001211911965 883988736 /nfs/dbraw/zinc/98/87/36/883988736.db2.gz WFROIKHSCCFXPV-LJQANCHMSA-N 1 3 386.455 3.672 20 0 GHADHO Cc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c(F)cc1F ZINC001211914449 884837496 /nfs/dbraw/zinc/83/74/96/884837496.db2.gz AXUWRKDNSGHBHO-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c(F)cc1F ZINC001211914449 884837509 /nfs/dbraw/zinc/83/75/09/884837509.db2.gz AXUWRKDNSGHBHO-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1nn(C)c2ncc(CNCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc12 ZINC000237742771 884839381 /nfs/dbraw/zinc/83/93/81/884839381.db2.gz YNLQBRABEOHKLM-KRWDZBQOSA-N 1 3 377.536 3.798 20 0 GHADHO Cc1nn(C)c2ncc(CNCc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc12 ZINC000237742771 884839394 /nfs/dbraw/zinc/83/93/94/884839394.db2.gz YNLQBRABEOHKLM-KRWDZBQOSA-N 1 3 377.536 3.798 20 0 GHADHO CN(CCCN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C)Cc1ccco1 ZINC000286735240 912872957 /nfs/dbraw/zinc/87/29/57/912872957.db2.gz RTPXDSOKKWFZAY-UHFFFAOYSA-N 1 3 383.492 3.682 20 0 GHADHO CN(CCCN(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1)Cc1ccco1 ZINC000498617713 885082851 /nfs/dbraw/zinc/08/28/51/885082851.db2.gz PFNZHVKJNLNTRU-UHFFFAOYSA-N 1 3 390.572 3.540 20 0 GHADHO CCCN(C)[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655766288 885307625 /nfs/dbraw/zinc/30/76/25/885307625.db2.gz CNNWFTZTLSXEGS-YADHBBJMSA-N 1 3 394.003 3.956 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)cc(Cl)n3)c3ccccc23)CC1 ZINC001170522696 885414804 /nfs/dbraw/zinc/41/48/04/885414804.db2.gz RFANABXUHTYCFH-UHFFFAOYSA-N 1 3 390.318 3.693 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cc4c(ncnc4Cl)[nH]3)c3ccccc23)CC1 ZINC001170524667 885476996 /nfs/dbraw/zinc/47/69/96/885476996.db2.gz FNKHTROVAOAQML-UHFFFAOYSA-N 1 3 394.910 3.521 20 0 GHADHO CC(C)[C@H](CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000532459647 885543836 /nfs/dbraw/zinc/54/38/36/885543836.db2.gz TWDPZATYXZZARD-PXNSSMCTSA-N 1 3 379.976 3.787 20 0 GHADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678817 885850768 /nfs/dbraw/zinc/85/07/68/885850768.db2.gz UYOGEDXTXKWISV-FKBYEOEOSA-N 1 3 397.563 3.732 20 0 GHADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678817 885850786 /nfs/dbraw/zinc/85/07/86/885850786.db2.gz UYOGEDXTXKWISV-FKBYEOEOSA-N 1 3 397.563 3.732 20 0 GHADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001184152468 913032772 /nfs/dbraw/zinc/03/27/72/913032772.db2.gz MPJQCYZERFVBKN-HJOGWXRNSA-N 1 3 391.559 3.850 20 0 GHADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001184152468 913032782 /nfs/dbraw/zinc/03/27/82/913032782.db2.gz MPJQCYZERFVBKN-HJOGWXRNSA-N 1 3 391.559 3.850 20 0 GHADHO C[NH+](C)CCCOc1cnccc1CN[C@H](c1ccccc1)C1CCOCC1 ZINC000808720159 886703881 /nfs/dbraw/zinc/70/38/81/886703881.db2.gz OEPNDJURJCCOPY-HSZRJFAPSA-N 1 3 383.536 3.670 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C[C@H](C)O1 ZINC000532645908 886859731 /nfs/dbraw/zinc/85/97/31/886859731.db2.gz ORUAURFUHISPQA-BGYRXZFFSA-N 1 3 382.552 3.584 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000127472824 887064229 /nfs/dbraw/zinc/06/42/29/887064229.db2.gz ZHPUTDDXSBOGJA-UHFFFAOYSA-N 1 3 385.339 3.674 20 0 GHADHO CCCOc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1C ZINC000863528890 887194166 /nfs/dbraw/zinc/19/41/66/887194166.db2.gz DBMLWBHWTRSFIB-UHFFFAOYSA-N 1 3 387.568 3.919 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(F)F)c1Cl ZINC000666701272 887665674 /nfs/dbraw/zinc/66/56/74/887665674.db2.gz SDDDJCMPAFNNRB-LBPRGKRZSA-N 1 3 376.879 3.671 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(F)F)c1Cl ZINC000666701272 887665679 /nfs/dbraw/zinc/66/56/79/887665679.db2.gz SDDDJCMPAFNNRB-LBPRGKRZSA-N 1 3 376.879 3.671 20 0 GHADHO OC1(CNCc2sccc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000397585460 888110244 /nfs/dbraw/zinc/11/02/44/888110244.db2.gz HBYFODDYSOELTJ-UHFFFAOYSA-N 1 3 395.366 3.627 20 0 GHADHO O[C@@H](CNc1ccc2c(c1)C[NH2+]C2)CN(Cc1ccccc1)Cc1ccccc1 ZINC001170597724 888199954 /nfs/dbraw/zinc/19/99/54/888199954.db2.gz XMJUXQIZYCNMAI-VWLOTQADSA-N 1 3 387.527 3.765 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1CN1CCCCC1 ZINC000794833023 888281936 /nfs/dbraw/zinc/28/19/36/888281936.db2.gz JSSPGAVXEADMGM-AZUAARDMSA-N 1 3 387.568 3.590 20 0 GHADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001184451201 913230050 /nfs/dbraw/zinc/23/00/50/913230050.db2.gz OILAMIRFABZVEJ-YADHBBJMSA-N 1 3 379.548 3.602 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000810426791 888494676 /nfs/dbraw/zinc/49/46/76/888494676.db2.gz YAVRXEFGEVUSEY-KKLQWCBXSA-N 1 3 389.559 3.710 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000810426791 888494683 /nfs/dbraw/zinc/49/46/83/888494683.db2.gz YAVRXEFGEVUSEY-KKLQWCBXSA-N 1 3 389.559 3.710 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868185232 889341541 /nfs/dbraw/zinc/34/15/41/889341541.db2.gz QBHWKBLGQTVUMV-BULFRSBZSA-N 1 3 378.520 3.630 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2ccccc2)CC1 ZINC000497370358 891294505 /nfs/dbraw/zinc/29/45/05/891294505.db2.gz NTYICSXKLZJSLA-YTFSRNRJSA-N 1 3 398.595 3.585 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2ccccc2)CC1 ZINC000497370358 891294517 /nfs/dbraw/zinc/29/45/17/891294517.db2.gz NTYICSXKLZJSLA-YTFSRNRJSA-N 1 3 398.595 3.585 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(OCc2ccccc2)c1 ZINC000127947404 891330806 /nfs/dbraw/zinc/33/08/06/891330806.db2.gz ZMIZCTZPRCJOQV-KNQAVFIVSA-N 1 3 395.547 3.504 20 0 GHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246749 891548679 /nfs/dbraw/zinc/54/86/79/891548679.db2.gz AJNYCNPSQUOLDU-ZDUSSCGKSA-N 1 3 384.553 3.639 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000261774726 892108402 /nfs/dbraw/zinc/10/84/02/892108402.db2.gz JBKIFRDSRDMTMY-QAPCUYQASA-N 1 3 385.474 3.594 20 0 GHADHO CC[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)c1ccccc1 ZINC000774843554 913734491 /nfs/dbraw/zinc/73/44/91/913734491.db2.gz KMKQUADVUQYSPI-JOCHJYFZSA-N 1 3 380.536 3.508 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000533891572 893416966 /nfs/dbraw/zinc/41/69/66/893416966.db2.gz DAYCCDJPKJMWDF-GOTSBHOMSA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cccc4c3OCCCO4)CC2)C[C@H](C)O1 ZINC000536663784 893478223 /nfs/dbraw/zinc/47/82/23/893478223.db2.gz VPQDEUDMVJNQKD-KDURUIRLSA-N 1 3 388.552 3.559 20 0 GHADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3cccc4c3OCCCO4)CC2)C[C@H](C)O1 ZINC000536663784 893478227 /nfs/dbraw/zinc/47/82/27/893478227.db2.gz VPQDEUDMVJNQKD-KDURUIRLSA-N 1 3 388.552 3.559 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000536697550 893563664 /nfs/dbraw/zinc/56/36/64/893563664.db2.gz NVHWQAMZPYFWHP-UHFFFAOYSA-N 1 3 378.605 3.825 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000536697550 893563682 /nfs/dbraw/zinc/56/36/82/893563682.db2.gz NVHWQAMZPYFWHP-UHFFFAOYSA-N 1 3 378.605 3.825 20 0 GHADHO CC(C)n1ncc2cc(CN3CCC4(CC3)CC[NH+](C)CC4)c(Cl)nc21 ZINC000877684602 893761558 /nfs/dbraw/zinc/76/15/58/893761558.db2.gz QKVMZGSDDNMVFY-UHFFFAOYSA-N 1 3 375.948 3.973 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)CC2)CC1 ZINC000877747228 893787895 /nfs/dbraw/zinc/78/78/95/893787895.db2.gz CVVQRWZEEOHHSR-UHFFFAOYSA-N 1 3 397.538 3.617 20 0 GHADHO C[C@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)C[N@@H+]2C1 ZINC001135296055 894331088 /nfs/dbraw/zinc/33/10/88/894331088.db2.gz LFNCNQDLXYFASS-ZGXWSNOMSA-N 1 3 389.609 3.758 20 0 GHADHO C[C@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)C[N@H+]2C1 ZINC001135296055 894331102 /nfs/dbraw/zinc/33/11/02/894331102.db2.gz LFNCNQDLXYFASS-ZGXWSNOMSA-N 1 3 389.609 3.758 20 0 GHADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000564060227 894534016 /nfs/dbraw/zinc/53/40/16/894534016.db2.gz KPMWCTNLPBXZQG-ZRBLBEILSA-N 1 3 386.580 3.708 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1C ZINC000564128709 894628455 /nfs/dbraw/zinc/62/84/55/894628455.db2.gz FGJZHNJXPMRTSA-HDICACEKSA-N 1 3 383.536 3.579 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1C ZINC000564128709 894628459 /nfs/dbraw/zinc/62/84/59/894628459.db2.gz FGJZHNJXPMRTSA-HDICACEKSA-N 1 3 383.536 3.579 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4cc(C)ccc4CC3(C)C)CC2)CC1 ZINC000564349010 894886637 /nfs/dbraw/zinc/88/66/37/894886637.db2.gz JOBVPNCQRYBIQS-UHFFFAOYSA-N 1 3 397.607 3.855 20 0 GHADHO c1ccc(CN2C[C@H](C[NH2+]C3CCC4(CCCO4)CC3)C3(C2)CCOCC3)cc1 ZINC000645490747 913932905 /nfs/dbraw/zinc/93/29/05/913932905.db2.gz NHWMWUGHBMUFFJ-ICXLUZGWSA-N 1 3 398.591 3.997 20 0 GHADHO CCCN(C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675676 895173951 /nfs/dbraw/zinc/17/39/51/895173951.db2.gz CKAJTIXOYUVFDH-FXAWDEMLSA-N 1 3 394.991 3.752 20 0 GHADHO CCCN(C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675676 895173956 /nfs/dbraw/zinc/17/39/56/895173956.db2.gz CKAJTIXOYUVFDH-FXAWDEMLSA-N 1 3 394.991 3.752 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](Cc4ccccc4)[C@H]3C)CC2)CC1 ZINC000565187538 895448324 /nfs/dbraw/zinc/44/83/24/895448324.db2.gz CLIXMPAFDUPCFR-OFNKIYASSA-N 1 3 397.607 3.662 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)Nc3cccc(F)c3)C2)s1 ZINC000565661479 895791676 /nfs/dbraw/zinc/79/16/76/895791676.db2.gz SXXJYSYQLNYJAS-QGZVFWFLSA-N 1 3 389.540 3.978 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)Nc3cccc(F)c3)C2)s1 ZINC000565661479 895791694 /nfs/dbraw/zinc/79/16/94/895791694.db2.gz SXXJYSYQLNYJAS-QGZVFWFLSA-N 1 3 389.540 3.978 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)(N2CCCCC2)CC1 ZINC000565723352 895832743 /nfs/dbraw/zinc/83/27/43/895832743.db2.gz UAPYNJARZWPBOD-QHAWAJNXSA-N 1 3 375.601 3.659 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3c(F)cccc3Cl)CC2)CC1 ZINC000565724023 895834606 /nfs/dbraw/zinc/83/46/06/895834606.db2.gz KNQPFHWTPNVHOS-UHFFFAOYSA-N 1 3 395.950 3.634 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CNCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000818959830 896296113 /nfs/dbraw/zinc/29/61/13/896296113.db2.gz UQJUPNCGJUZSHC-JPYJTQIMSA-N 1 3 398.547 3.901 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CNCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000818959830 896296128 /nfs/dbraw/zinc/29/61/28/896296128.db2.gz UQJUPNCGJUZSHC-JPYJTQIMSA-N 1 3 398.547 3.901 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CNCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000818959831 896297083 /nfs/dbraw/zinc/29/70/83/896297083.db2.gz UQJUPNCGJUZSHC-MBSDFSHPSA-N 1 3 398.547 3.901 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000818959831 896297095 /nfs/dbraw/zinc/29/70/95/896297095.db2.gz UQJUPNCGJUZSHC-MBSDFSHPSA-N 1 3 398.547 3.901 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@H]3C)CC2)CC1 ZINC000566441722 896315868 /nfs/dbraw/zinc/31/58/68/896315868.db2.gz JQXFAKORPIWNTO-XXBNENTESA-N 1 3 383.580 3.587 20 0 GHADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000819015812 896350060 /nfs/dbraw/zinc/35/00/60/896350060.db2.gz PXUXYRHDFCDSPK-UWJYYQICSA-N 1 3 376.903 3.667 20 0 GHADHO CC(C)OCC[NH+]1CCC(NC[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819128596 896429411 /nfs/dbraw/zinc/42/94/11/896429411.db2.gz OMGBSGBLVFXJOX-SFHVURJKSA-N 1 3 375.340 3.506 20 0 GHADHO COC[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCCOC1 ZINC000883187690 897350464 /nfs/dbraw/zinc/35/04/64/897350464.db2.gz UAUFTEVUBXEDRV-PZJWPPBQSA-N 1 3 380.960 3.583 20 0 GHADHO C[NH+](C)CCOc1ccc(CN[C@H]2CC3(CCOCC3)Oc3ccccc32)cc1 ZINC000883395388 897558312 /nfs/dbraw/zinc/55/83/12/897558312.db2.gz SKOMHEJLGCZJAG-QFIPXVFZSA-N 1 3 396.531 3.790 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cccc(C4CC4)c3)CC2)CC1 ZINC000568213546 897679747 /nfs/dbraw/zinc/67/97/47/897679747.db2.gz CHCLGKKAFSVFDX-GOSISDBHSA-N 1 3 383.580 3.938 20 0 GHADHO CC1(C)Cc2cc(CNCc3ccc(C[NH+]4CCC(O)CC4)cc3)ccc2O1 ZINC000105495395 898210662 /nfs/dbraw/zinc/21/06/62/898210662.db2.gz MTOLRVHOFJKLRV-UHFFFAOYSA-N 1 3 380.532 3.647 20 0 GHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)C1 ZINC000569442430 898668425 /nfs/dbraw/zinc/66/84/25/898668425.db2.gz NOCYOPYAVSSCMN-FXAWDEMLSA-N 1 3 375.900 3.713 20 0 GHADHO CSc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000120237228 899775121 /nfs/dbraw/zinc/77/51/21/899775121.db2.gz PNFHOFDNUYTEFJ-UHFFFAOYSA-N 1 3 396.988 3.742 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc4ccccc4s3)CC2)CC1 ZINC000573017685 900343756 /nfs/dbraw/zinc/34/37/56/900343756.db2.gz NBPRWQIBOVMASO-UHFFFAOYSA-N 1 3 385.577 3.714 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(C4CC4)ccc3F)CC2)CC1 ZINC000574821461 901019833 /nfs/dbraw/zinc/01/98/33/901019833.db2.gz ICTALAWULSNBSU-UHFFFAOYSA-N 1 3 387.543 3.516 20 0 GHADHO Cc1cc(Br)cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000775016416 914533878 /nfs/dbraw/zinc/53/38/78/914533878.db2.gz NGPRAXOLFNOGAR-FQEVSTJZSA-N 1 3 389.337 3.614 20 0 GHADHO Cc1cc(Br)cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000775016416 914533892 /nfs/dbraw/zinc/53/38/92/914533892.db2.gz NGPRAXOLFNOGAR-FQEVSTJZSA-N 1 3 389.337 3.614 20 0 GHADHO CCc1ccc(C(C)(C)NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000576000465 901570977 /nfs/dbraw/zinc/57/09/77/901570977.db2.gz AXNBIKJMDUHPLW-UHFFFAOYSA-N 1 3 385.596 3.797 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H](O)COCc1cccs1 ZINC000576100397 901682538 /nfs/dbraw/zinc/68/25/38/901682538.db2.gz LUSQFOGZZWGYBE-NQIIRXRSSA-N 1 3 388.577 3.790 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](O)COCc1cccs1 ZINC000576100397 901682543 /nfs/dbraw/zinc/68/25/43/901682543.db2.gz LUSQFOGZZWGYBE-NQIIRXRSSA-N 1 3 388.577 3.790 20 0 GHADHO COc1ncc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc1F ZINC001144459167 902225520 /nfs/dbraw/zinc/22/55/20/902225520.db2.gz SNTSLQSRSTVFKY-UHFFFAOYSA-N 1 3 384.499 3.501 20 0 GHADHO COc1ncc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1F ZINC001144459167 902225528 /nfs/dbraw/zinc/22/55/28/902225528.db2.gz SNTSLQSRSTVFKY-UHFFFAOYSA-N 1 3 384.499 3.501 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000576836167 902292420 /nfs/dbraw/zinc/29/24/20/902292420.db2.gz SASRICMLRJIGBN-SESVDKBCSA-N 1 3 375.601 3.658 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000577055111 902471646 /nfs/dbraw/zinc/47/16/46/902471646.db2.gz IOAGAYIUJMVXGK-JQVVWYNYSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000577055111 902471652 /nfs/dbraw/zinc/47/16/52/902471652.db2.gz IOAGAYIUJMVXGK-JQVVWYNYSA-N 1 3 388.577 3.777 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)N(C)C)cc1 ZINC000578882936 904205299 /nfs/dbraw/zinc/20/52/99/904205299.db2.gz PYSYYFQCVOCOKR-OAQYLSRUSA-N 1 3 385.577 3.545 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370335 904368826 /nfs/dbraw/zinc/36/88/26/904368826.db2.gz JRJWXTTXNRIKRG-QMHWCDLVSA-N 1 3 390.518 3.502 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370335 904368843 /nfs/dbraw/zinc/36/88/43/904368843.db2.gz JRJWXTTXNRIKRG-QMHWCDLVSA-N 1 3 390.518 3.502 20 0 GHADHO CN1C(C)(C)CC([NH2+]C2CCN(CC(=O)c3cccs3)CC2)CC1(C)C ZINC001171626825 904889680 /nfs/dbraw/zinc/88/96/80/904889680.db2.gz CKSLGDKAKPAZLT-UHFFFAOYSA-N 1 3 377.598 3.636 20 0 GHADHO CN(C1CC1)C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC1 ZINC001171854615 905101422 /nfs/dbraw/zinc/10/14/22/905101422.db2.gz FWDWNIKLFZQFQZ-LJQANCHMSA-N 1 3 377.573 3.867 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@@H]2C1 ZINC001171863282 905110813 /nfs/dbraw/zinc/11/08/13/905110813.db2.gz WPLHSVUCGOHDKK-OTWHNJEPSA-N 1 3 377.573 3.582 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@@H]2C1 ZINC001171863282 905110820 /nfs/dbraw/zinc/11/08/20/905110820.db2.gz WPLHSVUCGOHDKK-OTWHNJEPSA-N 1 3 377.573 3.582 20 0 GHADHO CC1(C)C[C@@H](NC[C@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171966592 905174640 /nfs/dbraw/zinc/17/46/40/905174640.db2.gz LSRSTMUSIMGKFJ-GOTSBHOMSA-N 1 3 382.548 3.597 20 0 GHADHO CC1(C)C[C@@H](NC[C@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171966592 905174646 /nfs/dbraw/zinc/17/46/46/905174646.db2.gz LSRSTMUSIMGKFJ-GOTSBHOMSA-N 1 3 382.548 3.597 20 0 GHADHO COc1cccc(C[C@@H](CO)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172072822 905276563 /nfs/dbraw/zinc/27/65/63/905276563.db2.gz NGTZKQXHFZISEY-NEWJYFPISA-N 1 3 394.559 3.774 20 0 GHADHO COc1cccc(C[C@@H](CO)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172072822 905276579 /nfs/dbraw/zinc/27/65/79/905276579.db2.gz NGTZKQXHFZISEY-NEWJYFPISA-N 1 3 394.559 3.774 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(CC3CC3)CC1)C2 ZINC001172086640 905301261 /nfs/dbraw/zinc/30/12/61/905301261.db2.gz DTIGPXSYOKIODI-BWTSREIZSA-N 1 3 377.573 3.900 20 0 GHADHO CCOC(=O)NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172091046 905312391 /nfs/dbraw/zinc/31/23/91/905312391.db2.gz ZXXSHZYVHNXTJZ-KOUNCHBCSA-N 1 3 385.552 3.783 20 0 GHADHO CCOC(=O)NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172091046 905312413 /nfs/dbraw/zinc/31/24/13/905312413.db2.gz ZXXSHZYVHNXTJZ-KOUNCHBCSA-N 1 3 385.552 3.783 20 0 GHADHO O=C(CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1nccs1 ZINC001172063254 905325300 /nfs/dbraw/zinc/32/53/00/905325300.db2.gz AZYPZTQLJFUNMY-REPLKXPHSA-N 1 3 384.549 3.647 20 0 GHADHO O=C(CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1nccs1 ZINC001172063254 905325318 /nfs/dbraw/zinc/32/53/18/905325318.db2.gz AZYPZTQLJFUNMY-REPLKXPHSA-N 1 3 384.549 3.647 20 0 GHADHO COCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1C(F)(F)F ZINC001172115956 905365974 /nfs/dbraw/zinc/36/59/74/905365974.db2.gz WNUXLGYEOUWFES-OSYLJGHBSA-N 1 3 386.458 3.836 20 0 GHADHO COC(=O)Cc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000801584979 921165844 /nfs/dbraw/zinc/16/58/44/921165844.db2.gz OOZVYUAWDSNULH-QFIPXVFZSA-N 1 3 380.532 3.792 20 0 GHADHO COC(=O)Cc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000801584979 921165851 /nfs/dbraw/zinc/16/58/51/921165851.db2.gz OOZVYUAWDSNULH-QFIPXVFZSA-N 1 3 380.532 3.792 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000176062381 905744041 /nfs/dbraw/zinc/74/40/41/905744041.db2.gz GOYKHGOZQPIHOE-UHFFFAOYSA-N 1 3 386.584 3.557 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001172778484 905819227 /nfs/dbraw/zinc/81/92/27/905819227.db2.gz MPRJTNOFJLKIDI-QUCCMNQESA-N 1 3 376.516 3.749 20 0 GHADHO C[C@@H](CSc1ccc(Cl)cc1)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172885666 905971862 /nfs/dbraw/zinc/97/18/62/905971862.db2.gz SNIRGZNAYUGZID-KRWDZBQOSA-N 1 3 382.017 3.780 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172976153 906040437 /nfs/dbraw/zinc/04/04/37/906040437.db2.gz YLKBVQMKYZHDKL-HMXCVIKNSA-N 1 3 387.568 3.696 20 0 GHADHO COc1ccc(C2(N)CC[NH+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001172957522 906063895 /nfs/dbraw/zinc/06/38/95/906063895.db2.gz UFOHJGVSTPSLKW-KRWDZBQOSA-N 1 3 391.556 3.591 20 0 GHADHO CC[NH+](CC)C1CCC(N2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001173109129 906195005 /nfs/dbraw/zinc/19/50/05/906195005.db2.gz XNUNNMIVXJTQEI-UHFFFAOYSA-N 1 3 384.490 3.875 20 0 GHADHO CCC[N@H+](CCCN)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173387551 906415875 /nfs/dbraw/zinc/41/58/75/906415875.db2.gz XXLISETUWHDQOH-SQNIBIBYSA-N 1 3 398.588 3.516 20 0 GHADHO CCC[N@@H+](CCCN)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173387551 906415881 /nfs/dbraw/zinc/41/58/81/906415881.db2.gz XXLISETUWHDQOH-SQNIBIBYSA-N 1 3 398.588 3.516 20 0 GHADHO COc1cc(CNCC2CC[NH+](CC3CC3)CC2)c(F)cc1Br ZINC001203254849 906424985 /nfs/dbraw/zinc/42/49/85/906424985.db2.gz NPROOZRKSNXRDK-UHFFFAOYSA-N 1 3 385.321 3.808 20 0 GHADHO NC1(C[NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCOCC1 ZINC000629522387 906853832 /nfs/dbraw/zinc/85/38/32/906853832.db2.gz YWROOICBFBLCQX-HNNXBMFYSA-N 1 3 377.941 3.938 20 0 GHADHO NC1(C[NH2+]Cc2ccc(-c3ccccc3Br)s2)CCOCC1 ZINC000629655577 906931090 /nfs/dbraw/zinc/93/10/90/906931090.db2.gz VOENNFSCWMUXGE-UHFFFAOYSA-N 1 3 381.339 3.775 20 0 GHADHO COc1ccc([C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)cc1 ZINC001175460744 907583680 /nfs/dbraw/zinc/58/36/80/907583680.db2.gz DLEXHJNHNUHZRG-XMMPIXPASA-N 1 3 379.548 3.828 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCCc3ncccc32)cc1OC ZINC000631569378 907760805 /nfs/dbraw/zinc/76/08/05/907760805.db2.gz HFGKHSBBZCOKHE-NRFANRHFSA-N 1 3 383.536 3.978 20 0 GHADHO CC1(C)OCc2cc(CNCc3ccc(C[NH+]4CCC(O)CC4)cc3)ccc2O1 ZINC000186954998 908011663 /nfs/dbraw/zinc/01/16/63/908011663.db2.gz WFDJCIGVBDDJOU-UHFFFAOYSA-N 1 3 396.531 3.578 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@]3(C)C3CCCCC3)CC2)CC1 ZINC000636383916 909566332 /nfs/dbraw/zinc/56/63/32/909566332.db2.gz BAPVDSUISWPLBF-QHCPKHFHSA-N 1 3 375.601 3.754 20 0 GHADHO CN(C)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCC1 ZINC001179721133 909680946 /nfs/dbraw/zinc/68/09/46/909680946.db2.gz FLJAMNCACJZHBA-XZOQPEGZSA-N 1 3 391.559 3.645 20 0 GHADHO CN(C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCC1 ZINC001179721133 909680950 /nfs/dbraw/zinc/68/09/50/909680950.db2.gz FLJAMNCACJZHBA-XZOQPEGZSA-N 1 3 391.559 3.645 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268826370 910034876 /nfs/dbraw/zinc/03/48/76/910034876.db2.gz ZEYCBFWEHUTMST-AVRDEDQJSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268826370 910034893 /nfs/dbraw/zinc/03/48/93/910034893.db2.gz ZEYCBFWEHUTMST-AVRDEDQJSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268826370 910034905 /nfs/dbraw/zinc/03/49/05/910034905.db2.gz ZEYCBFWEHUTMST-AVRDEDQJSA-N 1 3 375.520 3.576 20 0 GHADHO CC(C)(C)[C@]1(CN2CCN(C3CCOCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000638109065 910054788 /nfs/dbraw/zinc/05/47/88/910054788.db2.gz RBZQYASMPURZHB-VWLOTQADSA-N 1 3 399.623 3.721 20 0 GHADHO CC(C)(C)[C@]1(CN2CCN(C3CCOCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638109065 910054800 /nfs/dbraw/zinc/05/48/00/910054800.db2.gz RBZQYASMPURZHB-VWLOTQADSA-N 1 3 399.623 3.721 20 0 GHADHO c1ccc(C(CN2CCC[C@@H]3COCC[C@@H]32)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516318 910479937 /nfs/dbraw/zinc/47/99/37/910479937.db2.gz QVVIPRJITMFSSM-SDZTWWDVSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc(C(CN2CCC[C@@H]3COCC[C@@H]32)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516318 910479942 /nfs/dbraw/zinc/47/99/42/910479942.db2.gz QVVIPRJITMFSSM-SDZTWWDVSA-N 1 3 398.591 3.772 20 0 GHADHO Cc1oc(-c2ccccc2)nc1CN1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270845013 910716569 /nfs/dbraw/zinc/71/65/69/910716569.db2.gz FTJDJGOQVAKRIE-UHFFFAOYSA-N 1 3 382.552 3.640 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)N(C)C)cc1 ZINC001182482569 911833939 /nfs/dbraw/zinc/83/39/39/911833939.db2.gz RCOGRVYXUYTQIB-XZOQPEGZSA-N 1 3 379.548 3.837 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)N(C)C)cc1 ZINC001182482569 911833952 /nfs/dbraw/zinc/83/39/52/911833952.db2.gz RCOGRVYXUYTQIB-XZOQPEGZSA-N 1 3 379.548 3.837 20 0 GHADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1cccs1 ZINC000647334804 915159456 /nfs/dbraw/zinc/15/94/56/915159456.db2.gz SGDJIBHXGICENC-DSKINZAPSA-N 1 3 385.577 3.643 20 0 GHADHO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543777 915320325 /nfs/dbraw/zinc/32/03/25/915320325.db2.gz RVAAHJYFPRUHDL-DLBZAZTESA-N 1 3 385.533 3.750 20 0 GHADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000649277973 916090865 /nfs/dbraw/zinc/09/08/65/916090865.db2.gz AGKBFMGZEXDCAI-HXUWFJFHSA-N 1 3 385.577 3.713 20 0 GHADHO CC(=O)N1CC[C@@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000362032887 917043107 /nfs/dbraw/zinc/04/31/07/917043107.db2.gz RBFTVLNBBMRODR-HTAPYJJXSA-N 1 3 381.520 3.776 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc(C(=O)NC)cc2)ccc1OC ZINC000775369896 917225733 /nfs/dbraw/zinc/22/57/33/917225733.db2.gz BQHIGPIPHKFHOI-KRWDZBQOSA-N 1 3 383.536 3.747 20 0 GHADHO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)C1 ZINC000775379785 917308082 /nfs/dbraw/zinc/30/80/82/917308082.db2.gz BNLCRRGDKFAZRZ-PXNSSMCTSA-N 1 3 389.540 3.563 20 0 GHADHO Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000295614949 917381567 /nfs/dbraw/zinc/38/15/67/917381567.db2.gz GOSJGMUENMFVNK-ACJLOTCBSA-N 1 3 397.332 3.666 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1CN1CCCCC1 ZINC000775394348 917389910 /nfs/dbraw/zinc/38/99/10/917389910.db2.gz LINKYOTXAWBOED-NQIIRXRSSA-N 1 3 376.541 3.527 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCNc2ncccn2)cc1CN1CCCCC1 ZINC000775396927 917394476 /nfs/dbraw/zinc/39/44/76/917394476.db2.gz QSADJIFKIUESLZ-SFHVURJKSA-N 1 3 383.540 3.624 20 0 GHADHO FC(F)(F)C(F)(F)OCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716659101 917571750 /nfs/dbraw/zinc/57/17/50/917571750.db2.gz ZDCYNIMUGGPGEM-JYJNAYRXSA-N 1 3 378.385 3.801 20 0 GHADHO FC(F)(F)C(F)(F)OCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716659101 917571771 /nfs/dbraw/zinc/57/17/71/917571771.db2.gz ZDCYNIMUGGPGEM-JYJNAYRXSA-N 1 3 378.385 3.801 20 0 GHADHO FC(F)(F)C(F)(F)OCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716659101 917571787 /nfs/dbraw/zinc/57/17/87/917571787.db2.gz ZDCYNIMUGGPGEM-JYJNAYRXSA-N 1 3 378.385 3.801 20 0 GHADHO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CNCc2ccccc21 ZINC000653253054 918201836 /nfs/dbraw/zinc/20/18/36/918201836.db2.gz FOQWHBLHYHXFTD-OAQYLSRUSA-N 1 3 381.545 3.700 20 0 GHADHO CCN(CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000775502415 918456473 /nfs/dbraw/zinc/45/64/73/918456473.db2.gz WFPFFWSAEGGKDN-AZUAARDMSA-N 1 3 375.557 3.744 20 0 GHADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H](CCc2cccnc2)c2ccccc2)CC1 ZINC000902880566 922576316 /nfs/dbraw/zinc/57/63/16/922576316.db2.gz JVHBPTLEAWOXHP-KMDXXIMOSA-N 1 3 379.548 3.723 20 0 GHADHO COc1cccc([C@@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146211 922807345 /nfs/dbraw/zinc/80/73/45/922807345.db2.gz DUEDAAFUINEHIX-UESBPSBZSA-N 1 3 381.564 3.720 20 0 GHADHO COc1cccc([C@@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146211 922807354 /nfs/dbraw/zinc/80/73/54/922807354.db2.gz DUEDAAFUINEHIX-UESBPSBZSA-N 1 3 381.564 3.720 20 0 GHADHO c1ccc(C[N@H+]2CCC3(C2)CCN(C[C@H]2COc4ccccc4O2)CC3)cc1 ZINC000677819735 924509799 /nfs/dbraw/zinc/50/97/99/924509799.db2.gz OJOWYQCXEAFPQL-NRFANRHFSA-N 1 3 378.516 3.815 20 0 GHADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(C[C@H]2COc4ccccc4O2)CC3)cc1 ZINC000677819735 924509803 /nfs/dbraw/zinc/50/98/03/924509803.db2.gz OJOWYQCXEAFPQL-NRFANRHFSA-N 1 3 378.516 3.815 20 0 GHADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1OCCc2ccccc21 ZINC000678211879 924666217 /nfs/dbraw/zinc/66/62/17/924666217.db2.gz NXAKWVATXKOMSO-DEOSSOPVSA-N 1 3 380.532 3.907 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679042659 925008039 /nfs/dbraw/zinc/00/80/39/925008039.db2.gz CDBLXIFWZGURTM-ZODMCCGTSA-N 1 3 399.623 3.646 20 0 GHADHO Cc1cc(Br)cc(C)c1NC(=O)CCCN1CC[C@H](C[NH+](C)C)C1 ZINC000679818967 925273629 /nfs/dbraw/zinc/27/36/29/925273629.db2.gz CGRLBROEKDIVEB-MRXNPFEDSA-N 1 3 396.373 3.668 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000410347532 925567616 /nfs/dbraw/zinc/56/76/16/925567616.db2.gz OXJPPSKGPJUYEU-FQEVSTJZSA-N 1 3 398.595 3.831 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000410347532 925567623 /nfs/dbraw/zinc/56/76/23/925567623.db2.gz OXJPPSKGPJUYEU-FQEVSTJZSA-N 1 3 398.595 3.831 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(Cl)c2o1 ZINC000753292752 929289318 /nfs/dbraw/zinc/28/93/18/929289318.db2.gz AESPDOBWBWKIBC-MRXNPFEDSA-N 1 3 377.916 3.574 20 0 GHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@@H](C)C1 ZINC000469208773 929691489 /nfs/dbraw/zinc/69/14/89/929691489.db2.gz XAAMBGIXXZIAAE-FUHWJXTLSA-N 1 3 385.508 3.711 20 0 GHADHO CCN1CC[NH+](CCCCN[C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924663144 931467109 /nfs/dbraw/zinc/46/71/09/931467109.db2.gz YXHKIRKKRNOOOO-DEOSSOPVSA-N 1 3 392.547 3.925 20 0 GHADHO CC(C)[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000561126371 933890993 /nfs/dbraw/zinc/89/09/93/933890993.db2.gz ZSNSMTPDAIOHJO-FQEVSTJZSA-N 1 3 397.485 3.735 20 0 GHADHO COc1ccccc1OCCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000561335043 934060919 /nfs/dbraw/zinc/06/09/19/934060919.db2.gz JTWACVIBKNGDRW-IBGZPJMESA-N 1 3 382.504 3.652 20 0 GHADHO COc1ccccc1OCC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000561335043 934060931 /nfs/dbraw/zinc/06/09/31/934060931.db2.gz JTWACVIBKNGDRW-IBGZPJMESA-N 1 3 382.504 3.652 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCCC2(CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC001118198433 934105964 /nfs/dbraw/zinc/10/59/64/934105964.db2.gz NAUKVBCZUGPAQH-OALUTQOASA-N 1 3 379.548 3.871 20 0 GHADHO CN(C)Cc1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc1C(F)(F)F ZINC001119387825 934341006 /nfs/dbraw/zinc/34/10/06/934341006.db2.gz YRSIWIMNOZCOEI-UHFFFAOYSA-N 1 3 394.441 3.745 20 0 GHADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc2ccccc21 ZINC001120487835 934468045 /nfs/dbraw/zinc/46/80/45/934468045.db2.gz JAKWNVAFMKRWIL-DEOSSOPVSA-N 1 3 375.516 3.770 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc(Cl)n1 ZINC000828614713 935676274 /nfs/dbraw/zinc/67/62/74/935676274.db2.gz JYFDBJFXAMOZPO-QAPCUYQASA-N 1 3 388.943 3.679 20 0 GHADHO N[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC001220918707 1032189364 /nfs/dbraw/zinc/18/93/64/1032189364.db2.gz CWAIKOAWQINACD-AEFFLSMTSA-N 1 3 383.458 3.619 20 0 GHADHO N[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC001220918707 1032189383 /nfs/dbraw/zinc/18/93/83/1032189383.db2.gz CWAIKOAWQINACD-AEFFLSMTSA-N 1 3 383.458 3.619 20 0 GHADHO N[C@H](CC(=O)N1CCC([NH3+])(CC2CCC2)CC1)c1ccc(Cl)cc1Cl ZINC001220972226 1032214862 /nfs/dbraw/zinc/21/48/62/1032214862.db2.gz BDFGYTOTJHRSAM-QGZVFWFLSA-N 1 3 384.351 3.893 20 0 GHADHO N[C@@H](C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC001221036226 1032246441 /nfs/dbraw/zinc/24/64/41/1032246441.db2.gz DXDSQUQAQMCJDU-GQXPJUACSA-N 1 3 399.554 3.526 20 0 GHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC001221913989 1032571715 /nfs/dbraw/zinc/57/17/15/1032571715.db2.gz YEXBPVMKOPDWDA-XLIONFOSSA-N 1 3 392.563 3.628 20 0 GHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC001221913989 1032571717 /nfs/dbraw/zinc/57/17/17/1032571717.db2.gz YEXBPVMKOPDWDA-XLIONFOSSA-N 1 3 392.563 3.628 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000558492575 1017214242 /nfs/dbraw/zinc/21/42/42/1017214242.db2.gz LHRIFBWASINEHF-JOCHJYFZSA-N 1 3 389.547 3.968 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000558492575 1017214253 /nfs/dbraw/zinc/21/42/53/1017214253.db2.gz LHRIFBWASINEHF-JOCHJYFZSA-N 1 3 389.547 3.968 20 0 GHADHO C[C@@H]1CN(Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@]1(O)C(F)(F)F ZINC001204263242 1032706999 /nfs/dbraw/zinc/70/69/99/1032706999.db2.gz IQSJCYUHNHDUFV-VQIMIIECSA-N 1 3 388.474 3.542 20 0 GHADHO Cc1ccnc(O[C@H]2CCCN(Cc3ccc(OCCC[NH+](C)C)cc3)C2)c1 ZINC001204271559 1032715341 /nfs/dbraw/zinc/71/53/41/1032715341.db2.gz NOFUSGRTGMIHQS-QFIPXVFZSA-N 1 3 383.536 3.764 20 0 GHADHO CCC(CC)(CNC(=O)OC(C)(C)C)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC001204288371 1032728136 /nfs/dbraw/zinc/72/81/36/1032728136.db2.gz SWMYUTGUINGMHM-GUDVDZBRSA-N 1 3 397.604 3.501 20 0 GHADHO COc1ccc([C@H]2OCC[C@@H]2N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567612253 1019315538 /nfs/dbraw/zinc/31/55/38/1019315538.db2.gz GMUQYJZNKOSZSU-FUPPJEDESA-N 1 3 393.531 3.707 20 0 GHADHO COc1ccc([C@H]2OCC[C@@H]2N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567612253 1019315556 /nfs/dbraw/zinc/31/55/56/1019315556.db2.gz GMUQYJZNKOSZSU-FUPPJEDESA-N 1 3 393.531 3.707 20 0 GHADHO CN(CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C1CCC1 ZINC000629951895 1020784232 /nfs/dbraw/zinc/78/42/32/1020784232.db2.gz DIBICGYRCOLROM-UHFFFAOYSA-N 1 3 397.485 3.613 20 0 GHADHO CN(CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C1CCC1 ZINC000629951895 1020784242 /nfs/dbraw/zinc/78/42/42/1020784242.db2.gz DIBICGYRCOLROM-UHFFFAOYSA-N 1 3 397.485 3.613 20 0 GHADHO C[N@H+](CCOc1cccc(CN[C@@H]2CCCc3ncccc32)c1)C1CCOCC1 ZINC000631574524 1020892059 /nfs/dbraw/zinc/89/20/59/1020892059.db2.gz AQQJWKYMKGCHAE-XMMPIXPASA-N 1 3 395.547 3.738 20 0 GHADHO C[N@@H+](CCOc1cccc(CN[C@@H]2CCCc3ncccc32)c1)C1CCOCC1 ZINC000631574524 1020892064 /nfs/dbraw/zinc/89/20/64/1020892064.db2.gz AQQJWKYMKGCHAE-XMMPIXPASA-N 1 3 395.547 3.738 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cnn(C)c4C)CC3)CC2)c1 ZINC001204568581 1032978400 /nfs/dbraw/zinc/97/84/00/1032978400.db2.gz AATCZXYUISCCQS-UHFFFAOYSA-N 1 3 382.552 3.615 20 0 GHADHO CCN1C[C@@H]2C[NH+](Cc3ccccc3-c3cccc(Br)n3)C[C@H]2C1 ZINC001140408263 1021591016 /nfs/dbraw/zinc/59/10/16/1021591016.db2.gz DOXRUAHERYVFCV-IAGOWNOFSA-N 1 3 386.337 3.895 20 0 GHADHO c1cn(-c2ccc(C[N@H+]3CCC[C@]4(CCN(Cc5ccccc5)C4)C3)cc2)nn1 ZINC001137369715 1021982950 /nfs/dbraw/zinc/98/29/50/1021982950.db2.gz UMXLVNMTGNYTRF-DEOSSOPVSA-N 1 3 387.531 3.755 20 0 GHADHO c1cn(-c2ccc(C[N@@H+]3CCC[C@]4(CCN(Cc5ccccc5)C4)C3)cc2)nn1 ZINC001137369715 1021982956 /nfs/dbraw/zinc/98/29/56/1021982956.db2.gz UMXLVNMTGNYTRF-DEOSSOPVSA-N 1 3 387.531 3.755 20 0 GHADHO CN1CCN(Cc2ccc(Nc3ccc(C4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC001204747100 1033062703 /nfs/dbraw/zinc/06/27/03/1033062703.db2.gz KROAOSPUAFYSGL-UHFFFAOYSA-N 1 3 378.564 3.987 20 0 GHADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001228808024 1033110075 /nfs/dbraw/zinc/11/00/75/1033110075.db2.gz XMWXNLUDQNWRET-PMACEKPBSA-N 1 3 394.991 3.752 20 0 GHADHO CC(=O)C1(c2ccccc2)CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138772085 1025341490 /nfs/dbraw/zinc/34/14/90/1025341490.db2.gz GNYJPFNOPRPQOY-UHFFFAOYSA-N 1 3 380.532 3.750 20 0 GHADHO CCOC(=O)CCCN(Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138774122 1025345983 /nfs/dbraw/zinc/34/59/83/1025345983.db2.gz ZHKFBYSMSIKDFC-UHFFFAOYSA-N 1 3 398.547 3.973 20 0 GHADHO COc1cc(O)ccc1CN1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001139142364 1025956692 /nfs/dbraw/zinc/95/66/92/1025956692.db2.gz SSUUJWZKRGZDOW-UHFFFAOYSA-N 1 3 381.520 3.672 20 0 GHADHO COc1cc(O)ccc1CN1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001139142364 1025956701 /nfs/dbraw/zinc/95/67/01/1025956701.db2.gz SSUUJWZKRGZDOW-UHFFFAOYSA-N 1 3 381.520 3.672 20 0 GHADHO COc1ccc(-c2ccc(CN3CCN(CC4CC[NH+](C)CC4)CC3)s2)cc1 ZINC001139288733 1026140998 /nfs/dbraw/zinc/14/09/98/1026140998.db2.gz DEYWWSHDNUTEGC-UHFFFAOYSA-N 1 3 399.604 3.883 20 0 GHADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304875 1026158051 /nfs/dbraw/zinc/15/80/51/1026158051.db2.gz RHJXSOXGGHJYPW-IBGZPJMESA-N 1 3 377.941 3.903 20 0 GHADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304875 1026158062 /nfs/dbraw/zinc/15/80/62/1026158062.db2.gz RHJXSOXGGHJYPW-IBGZPJMESA-N 1 3 377.941 3.903 20 0 GHADHO C[NH+](C)Cc1cccc(CNc2nc(N3CCOCC3)cc3ccccc32)c1 ZINC001163994064 1026380159 /nfs/dbraw/zinc/38/01/59/1026380159.db2.gz RSBVLSLIQVNHPN-UHFFFAOYSA-N 1 3 376.504 3.745 20 0 GHADHO CN(C)C1(CNc2nccc3nc(-c4ccccc4Cl)[nH]c32)CC[NH+](C)CC1 ZINC001164211648 1026454266 /nfs/dbraw/zinc/45/42/66/1026454266.db2.gz SDOLHGTUHZRKPD-UHFFFAOYSA-N 1 3 398.942 3.716 20 0 GHADHO CN(Cc1ccc(N2CCC[C@H]([NH2+]COCC[Si](C)(C)C)C2)nc1)C1CC1 ZINC001165184550 1026652679 /nfs/dbraw/zinc/65/26/79/1026652679.db2.gz BWDLXJPWMALHOU-IBGZPJMESA-N 1 3 390.648 3.547 20 0 GHADHO CC(=O)OCc1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001141795263 1027303069 /nfs/dbraw/zinc/30/30/69/1027303069.db2.gz AUZPLLMSHJDSCB-SFTDATJTSA-N 1 3 382.504 3.687 20 0 GHADHO CC(=O)OCc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001141795263 1027303087 /nfs/dbraw/zinc/30/30/87/1027303087.db2.gz AUZPLLMSHJDSCB-SFTDATJTSA-N 1 3 382.504 3.687 20 0 GHADHO C[NH+](C)C1(C)CCC(NCc2cccc(F)c2I)CC1 ZINC001203414059 1027322265 /nfs/dbraw/zinc/32/22/65/1027322265.db2.gz DYXIJBHGEFNOGU-UHFFFAOYSA-N 1 3 390.284 3.783 20 0 GHADHO COc1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)ccc1OCc1ccc(F)cc1 ZINC001204089772 1027868186 /nfs/dbraw/zinc/86/81/86/1027868186.db2.gz QOOCNDHSOVZVEM-HLAWJBBLSA-N 1 3 384.495 3.843 20 0 GHADHO NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000840862977 1027898849 /nfs/dbraw/zinc/89/88/49/1027898849.db2.gz DCQZKLMMBNPHPR-BXXSPATCSA-N 1 3 393.531 3.892 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cc1CN1CCCCC1 ZINC000841764318 1028921559 /nfs/dbraw/zinc/92/15/59/1028921559.db2.gz GPCMKOTVYLXUSJ-VQIMIIECSA-N 1 3 381.511 3.671 20 0 GHADHO Cc1cc2oc(=O)cc(CN3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)c2cc1C(C)C ZINC000842479451 1029316042 /nfs/dbraw/zinc/31/60/42/1029316042.db2.gz SXYNLWXSHKIXKT-DENIHFKCSA-N 1 3 398.547 3.943 20 0 GHADHO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843126643 1029817521 /nfs/dbraw/zinc/81/75/21/1029817521.db2.gz MNDDTZAPJQTDQN-CALCHBBNSA-N 1 3 393.362 3.978 20 0 GHADHO C[C@@H](CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC001222009824 1029930483 /nfs/dbraw/zinc/93/04/83/1029930483.db2.gz NQFPEPSKEMEBKG-RBBKRZOGSA-N 1 3 386.584 3.777 20 0 GHADHO [NH3+]C1CC2(C1)CCN(Cc1cc3c(c(OCc4ccccc4)c1)OCO3)CC2 ZINC001222215673 1030011322 /nfs/dbraw/zinc/01/13/22/1030011322.db2.gz JJGAEBNTQQAVLC-UHFFFAOYSA-N 1 3 380.488 3.698 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)N2Cc2cccc3c2NCC3)cc1 ZINC001222595496 1030221376 /nfs/dbraw/zinc/22/13/76/1030221376.db2.gz BJMGWHTUHCZGQS-QHCPKHFHSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2Cc2cccc3c2NCC3)cc1 ZINC001222595496 1030221397 /nfs/dbraw/zinc/22/13/97/1030221397.db2.gz BJMGWHTUHCZGQS-QHCPKHFHSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2Cc2cccc3c2NCC3)cc1 ZINC001222595496 1030221408 /nfs/dbraw/zinc/22/14/08/1030221408.db2.gz BJMGWHTUHCZGQS-QHCPKHFHSA-N 1 3 391.559 3.958 20 0 GHADHO [NH3+][C@@H](CC(=O)Nc1cc([C@H]2CCCN2)no1)C(c1ccccc1)c1ccccc1 ZINC001218709757 1031043847 /nfs/dbraw/zinc/04/38/47/1031043847.db2.gz AFJULSSOZVXPKK-RBUKOAKNSA-N 1 3 390.487 3.587 20 0 GHADHO N[C@@H](CCCc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001220492021 1031962277 /nfs/dbraw/zinc/96/22/77/1031962277.db2.gz GGSIGXQXJUEKOC-XQUALCHDSA-N 1 3 391.559 3.648 20 0 GHADHO N[C@@H](CCCc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001220492021 1031962280 /nfs/dbraw/zinc/96/22/80/1031962280.db2.gz GGSIGXQXJUEKOC-XQUALCHDSA-N 1 3 391.559 3.648 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)CC[NH+]2CCCCC2)N(C)C)cc1 ZINC001229620930 1033598766 /nfs/dbraw/zinc/59/87/66/1033598766.db2.gz MSSCTDTYYFSUKY-JOCHJYFZSA-N 1 3 388.600 3.615 20 0 GHADHO [NH3+][C@@H](CC(=O)N1CCN(CC2CCCCC2)CC1)c1cccc2ccccc21 ZINC001157579800 1033669983 /nfs/dbraw/zinc/66/99/83/1033669983.db2.gz QGJZPPJWEWMLHR-QHCPKHFHSA-N 1 3 379.548 3.954 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001207193272 1034162921 /nfs/dbraw/zinc/16/29/21/1034162921.db2.gz JLMZIPNBDWTCHW-HXUWFJFHSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001207193272 1034162924 /nfs/dbraw/zinc/16/29/24/1034162924.db2.gz JLMZIPNBDWTCHW-HXUWFJFHSA-N 1 3 379.589 3.974 20 0 GHADHO COC1CCN(C2CC[NH+](CCCc3ccc(Br)cc3)CC2)CC1 ZINC001207322852 1034270945 /nfs/dbraw/zinc/27/09/45/1034270945.db2.gz FYZNFJRMBHQWGN-UHFFFAOYSA-N 1 3 395.385 3.957 20 0 GHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@@H](C)CC[NH+](C)C ZINC001159207610 1034483672 /nfs/dbraw/zinc/48/36/72/1034483672.db2.gz HSQCFFWGMUPCNE-JTHBVZDNSA-N 1 3 387.612 3.766 20 0 GHADHO Cn1cc(CN2CCC(CCC[NH+](C)C)CC2)c(-c2cc(F)ccc2F)n1 ZINC001461905064 1069864419 /nfs/dbraw/zinc/86/44/19/1069864419.db2.gz VRVSWMRTAYBYNG-UHFFFAOYSA-N 1 3 376.495 3.919 20 0 GHADHO Nc1cccnc1N(CC1CC[NH2+]CC1)c1ccc(CN2CCCCC2)c(F)c1 ZINC001159336649 1034551032 /nfs/dbraw/zinc/55/10/32/1034551032.db2.gz PLSNIDXYAJGRPT-UHFFFAOYSA-N 1 3 397.542 3.927 20 0 GHADHO CCc1cc(CC)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159468452 1034609998 /nfs/dbraw/zinc/60/99/98/1034609998.db2.gz WQVHMPUOQROMTO-UHFFFAOYSA-N 1 3 377.536 3.511 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCCc1ccc(C)o1)CC2 ZINC001207945421 1034674636 /nfs/dbraw/zinc/67/46/36/1034674636.db2.gz XRSVBLPTSGJPEC-JOCHJYFZSA-N 1 3 397.563 3.919 20 0 GHADHO Cc1nc(-c2ccccc2)ncc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001231794539 1034912325 /nfs/dbraw/zinc/91/23/25/1034912325.db2.gz FJRFJLZAWWPVEO-UHFFFAOYSA-N 1 3 394.563 3.776 20 0 GHADHO CC[NH+](CC)CCCN1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC001208690024 1034981022 /nfs/dbraw/zinc/98/10/22/1034981022.db2.gz DMGAFRCOJSPVAP-UHFFFAOYSA-N 1 3 385.518 3.988 20 0 GHADHO c1ccc(COCCOCC[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001208751223 1034998240 /nfs/dbraw/zinc/99/82/40/1034998240.db2.gz XVFNKJPDSSFBSA-UHFFFAOYSA-N 1 3 394.559 3.818 20 0 GHADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160680800 1035033360 /nfs/dbraw/zinc/03/33/60/1035033360.db2.gz VTXIXFXWFXBMSS-NKKJXINNSA-N 1 3 391.559 3.678 20 0 GHADHO O=C(C[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160681982 1035034546 /nfs/dbraw/zinc/03/45/46/1035034546.db2.gz BCPMJLQPLBYZDM-ZEQRLZLVSA-N 1 3 391.559 3.679 20 0 GHADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3cc4cnccc4[nH]3)C1)C2 ZINC001232016562 1035046960 /nfs/dbraw/zinc/04/69/60/1035046960.db2.gz ZJYZVAWQYMIUEX-WZONZLPQSA-N 1 3 375.472 3.658 20 0 GHADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](Cc3cc4cnccc4[nH]3)C1)C2 ZINC001232016562 1035046968 /nfs/dbraw/zinc/04/69/68/1035046968.db2.gz ZJYZVAWQYMIUEX-WZONZLPQSA-N 1 3 375.472 3.658 20 0 GHADHO CN(CC1C[NH+](C[C@H]2CCCN(Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208932386 1035096632 /nfs/dbraw/zinc/09/66/32/1035096632.db2.gz POBFXNIFXRQZHC-FQEVSTJZSA-N 1 3 387.568 3.697 20 0 GHADHO CC(=O)N1CCCCC12CCN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208937224 1035104608 /nfs/dbraw/zinc/10/46/08/1035104608.db2.gz RUJMACXARAEYDA-QHCPKHFHSA-N 1 3 383.580 3.766 20 0 GHADHO CC(=O)N1CCCCC12CCN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208937224 1035104614 /nfs/dbraw/zinc/10/46/14/1035104614.db2.gz RUJMACXARAEYDA-QHCPKHFHSA-N 1 3 383.580 3.766 20 0 GHADHO Cc1cccnc1N1CCCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937227 1035104976 /nfs/dbraw/zinc/10/49/76/1035104976.db2.gz RXNJVBOBFSQTLE-HSZRJFAPSA-N 1 3 378.564 3.814 20 0 GHADHO Cc1cccnc1N1CCCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937227 1035104980 /nfs/dbraw/zinc/10/49/80/1035104980.db2.gz RXNJVBOBFSQTLE-HSZRJFAPSA-N 1 3 378.564 3.814 20 0 GHADHO O=C(C1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)N1CCCCC1 ZINC001208938184 1035107192 /nfs/dbraw/zinc/10/71/92/1035107192.db2.gz XOSNBKHJPSWWIY-QFIPXVFZSA-N 1 3 383.580 3.623 20 0 GHADHO O=C(C1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCCC1 ZINC001208938184 1035107196 /nfs/dbraw/zinc/10/71/96/1035107196.db2.gz XOSNBKHJPSWWIY-QFIPXVFZSA-N 1 3 383.580 3.623 20 0 GHADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208941764 1035111668 /nfs/dbraw/zinc/11/16/68/1035111668.db2.gz NAZMSMZXYBLCDH-CTNGQTDRSA-N 1 3 387.568 3.697 20 0 GHADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208941764 1035111674 /nfs/dbraw/zinc/11/16/74/1035111674.db2.gz NAZMSMZXYBLCDH-CTNGQTDRSA-N 1 3 387.568 3.697 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001232145529 1035123256 /nfs/dbraw/zinc/12/32/56/1035123256.db2.gz AUIFAOQZLXVYEE-XMMPIXPASA-N 1 3 381.539 3.985 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001232145529 1035123261 /nfs/dbraw/zinc/12/32/61/1035123261.db2.gz AUIFAOQZLXVYEE-XMMPIXPASA-N 1 3 381.539 3.985 20 0 GHADHO COc1ccccc1[C@@H](O)CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208952190 1035123318 /nfs/dbraw/zinc/12/33/18/1035123318.db2.gz HKVQAVYESYYGEL-GMAHTHKFSA-N 1 3 382.548 3.961 20 0 GHADHO COc1ccccc1[C@@H](O)CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208952190 1035123325 /nfs/dbraw/zinc/12/33/25/1035123325.db2.gz HKVQAVYESYYGEL-GMAHTHKFSA-N 1 3 382.548 3.961 20 0 GHADHO CC(C)(C)OC(=O)NC[C@]1(C)CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208956578 1035129458 /nfs/dbraw/zinc/12/94/58/1035129458.db2.gz BQTLZUIDBPOMDP-REWPJTCUSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NC[C@]1(C)CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208956578 1035129467 /nfs/dbraw/zinc/12/94/67/1035129467.db2.gz BQTLZUIDBPOMDP-REWPJTCUSA-N 1 3 387.568 3.745 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001232151036 1035130331 /nfs/dbraw/zinc/13/03/31/1035130331.db2.gz JUXIBBJBSSZKDQ-YSIASYRMSA-N 1 3 391.531 3.622 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001232151036 1035130339 /nfs/dbraw/zinc/13/03/39/1035130339.db2.gz JUXIBBJBSSZKDQ-YSIASYRMSA-N 1 3 391.531 3.622 20 0 GHADHO CC(C)[C@H](C[NH3+])C(=O)N1CCC2(CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001161420337 1035227587 /nfs/dbraw/zinc/22/75/87/1035227587.db2.gz GZHCSIHDKZSEDJ-QFIPXVFZSA-N 1 3 391.559 3.541 20 0 GHADHO CN(C)CCN(C(=O)CCc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161445034 1035232890 /nfs/dbraw/zinc/23/28/90/1035232890.db2.gz MJJVONWXBGEAOV-OAQYLSRUSA-N 1 3 395.547 3.554 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209366436 1035255956 /nfs/dbraw/zinc/25/59/56/1035255956.db2.gz XNROCKDEIVDSJD-QHCPKHFHSA-N 1 3 387.568 3.889 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209366436 1035255960 /nfs/dbraw/zinc/25/59/60/1035255960.db2.gz XNROCKDEIVDSJD-QHCPKHFHSA-N 1 3 387.568 3.889 20 0 GHADHO CC[C@@H](C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468378 1035282315 /nfs/dbraw/zinc/28/23/15/1035282315.db2.gz MAHWRQUUCKNJFX-UXHICEINSA-N 1 3 375.557 3.744 20 0 GHADHO CC[C@@H](C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468378 1035282317 /nfs/dbraw/zinc/28/23/17/1035282317.db2.gz MAHWRQUUCKNJFX-UXHICEINSA-N 1 3 375.557 3.744 20 0 GHADHO COCCN(C)Cc1ccnc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001241759280 1035680802 /nfs/dbraw/zinc/68/08/02/1035680802.db2.gz WPHIRTROIGAFMK-UHFFFAOYSA-N 1 3 383.536 3.692 20 0 GHADHO CN(Cc1cnn2ccc(Cl)nc12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001248877083 1036217384 /nfs/dbraw/zinc/21/73/84/1036217384.db2.gz AUZMUPFOEDWVCO-UHFFFAOYSA-N 1 3 383.927 3.727 20 0 GHADHO CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246017886 1037139418 /nfs/dbraw/zinc/13/94/18/1037139418.db2.gz BWLDDARUDBNJKP-QFBILLFUSA-N 1 3 388.930 3.966 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([NH2+][C@]2(C)CCNC2)CC1 ZINC001246097007 1037193914 /nfs/dbraw/zinc/19/39/14/1037193914.db2.gz MJEHHVOECKQSHS-JLAWEPINSA-N 1 3 397.357 3.549 20 0 GHADHO C[C@H](CCc1ccc(Br)cc1)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246342231 1037304901 /nfs/dbraw/zinc/30/49/01/1037304901.db2.gz QXUPKQIPPFTVNP-KCPJHIHWSA-N 1 3 379.264 3.900 20 0 GHADHO COc1ccc(C2(N[C@H]3C[C@@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246379399 1037336471 /nfs/dbraw/zinc/33/64/71/1037336471.db2.gz DJNLYATXVOSYOU-KNQAVFIVSA-N 1 3 379.548 3.527 20 0 GHADHO CCCC[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(F)cc3)CC2)CCN1 ZINC001246400741 1037358139 /nfs/dbraw/zinc/35/81/39/1037358139.db2.gz GLUVEYZXKJFEPK-TUFLPTIASA-N 1 3 375.532 3.767 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H](NC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246435667 1037397209 /nfs/dbraw/zinc/39/72/09/1037397209.db2.gz JTZYCKWOAVRWMC-AEFFLSMTSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCNCC2)C1 ZINC001246435667 1037397222 /nfs/dbraw/zinc/39/72/22/1037397222.db2.gz JTZYCKWOAVRWMC-AEFFLSMTSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](NC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246435673 1037397548 /nfs/dbraw/zinc/39/75/48/1037397548.db2.gz JTZYCKWOAVRWMC-WMZOPIPTSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCNCC2)C1 ZINC001246435673 1037397566 /nfs/dbraw/zinc/39/75/66/1037397566.db2.gz JTZYCKWOAVRWMC-WMZOPIPTSA-N 1 3 398.469 3.692 20 0 GHADHO CC[C@@H]1C[C@@H](NC[C@@H]2COc3ccc(Br)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246508945 1037448050 /nfs/dbraw/zinc/44/80/50/1037448050.db2.gz GZNAGQRZSDSRMO-NKGKWGDASA-N 1 3 381.358 3.899 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246583711 1037490735 /nfs/dbraw/zinc/49/07/35/1037490735.db2.gz RNHZVOBOBQAQHK-YLZJTPGZSA-N 1 3 378.944 3.754 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246583711 1037490739 /nfs/dbraw/zinc/49/07/39/1037490739.db2.gz RNHZVOBOBQAQHK-YLZJTPGZSA-N 1 3 378.944 3.754 20 0 GHADHO C[C@H](Cc1cccnc1)[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617718 1037506057 /nfs/dbraw/zinc/50/60/57/1037506057.db2.gz FWSMRRCHMCQMGI-OFNKIYASSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@H](Cc1cccnc1)[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617718 1037506072 /nfs/dbraw/zinc/50/60/72/1037506072.db2.gz FWSMRRCHMCQMGI-OFNKIYASSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@H](Cc1cccnc1)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617718 1037506094 /nfs/dbraw/zinc/50/60/94/1037506094.db2.gz FWSMRRCHMCQMGI-OFNKIYASSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H](Cc1ccccn1)[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246622274 1037511567 /nfs/dbraw/zinc/51/15/67/1037511567.db2.gz YPEWEMZDKZWXOP-NZQKXSOJSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H](Cc1ccccn1)[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246622274 1037511585 /nfs/dbraw/zinc/51/15/85/1037511585.db2.gz YPEWEMZDKZWXOP-NZQKXSOJSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H](Cc1ccccn1)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622274 1037511598 /nfs/dbraw/zinc/51/15/98/1037511598.db2.gz YPEWEMZDKZWXOP-NZQKXSOJSA-N 1 3 379.548 3.816 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@H]1CSc3ccccc3C1)CC2 ZINC001246632533 1037518690 /nfs/dbraw/zinc/51/86/90/1037518690.db2.gz WXJMEUAYKLNDRV-LJQANCHMSA-N 1 3 380.557 3.849 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@H]1CSc3ccccc3C1)CC2 ZINC001246632533 1037518710 /nfs/dbraw/zinc/51/87/10/1037518710.db2.gz WXJMEUAYKLNDRV-LJQANCHMSA-N 1 3 380.557 3.849 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246683349 1037546401 /nfs/dbraw/zinc/54/64/01/1037546401.db2.gz RZQVBNMWWUMXFW-DNVKUUNQSA-N 1 3 392.543 3.873 20 0 GHADHO Fc1ccc(N2CCC(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246686343 1037548077 /nfs/dbraw/zinc/54/80/77/1037548077.db2.gz RRCULBULWXYWBH-RPWUZVMVSA-N 1 3 379.523 3.874 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CC[C@@]3(c4ccccc4)CCNC[C@H]3C1)CC2 ZINC001246687109 1037549362 /nfs/dbraw/zinc/54/93/62/1037549362.db2.gz VABXQFHSVSEBHY-XVIDSWORSA-N 1 3 396.575 3.752 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@@]3(c4ccccc4)CCNC[C@H]3C1)CC2 ZINC001246687109 1037549377 /nfs/dbraw/zinc/54/93/77/1037549377.db2.gz VABXQFHSVSEBHY-XVIDSWORSA-N 1 3 396.575 3.752 20 0 GHADHO F[C@H]1CCNC[C@]12CC[N@@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690318 1037550679 /nfs/dbraw/zinc/55/06/79/1037550679.db2.gz KIJLMXPFAJSVLV-BOWFFMLLSA-N 1 3 380.548 3.502 20 0 GHADHO F[C@H]1CCNC[C@]12CC[N@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690318 1037550693 /nfs/dbraw/zinc/55/06/93/1037550693.db2.gz KIJLMXPFAJSVLV-BOWFFMLLSA-N 1 3 380.548 3.502 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CCN1 ZINC001246729146 1037577145 /nfs/dbraw/zinc/57/71/45/1037577145.db2.gz NNGXEJVJFHBIHD-AOHZBQACSA-N 1 3 383.580 3.730 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CCN1 ZINC001246729146 1037577164 /nfs/dbraw/zinc/57/71/64/1037577164.db2.gz NNGXEJVJFHBIHD-AOHZBQACSA-N 1 3 383.580 3.730 20 0 GHADHO COCCO[C@H]1CCC2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c2ccccc21 ZINC001246739936 1037583456 /nfs/dbraw/zinc/58/34/56/1037583456.db2.gz UIQRGYMIXZELBS-SRDOODBNSA-N 1 3 384.564 3.801 20 0 GHADHO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)c2ccccc21 ZINC001246753460 1037594075 /nfs/dbraw/zinc/59/40/75/1037594075.db2.gz LZJIQHCMOFHYBC-QHAWAJNXSA-N 1 3 397.607 3.907 20 0 GHADHO CCN(CC)C(=O)C[C@H]1CC2(CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)c2ccccc21 ZINC001246753460 1037594090 /nfs/dbraw/zinc/59/40/90/1037594090.db2.gz LZJIQHCMOFHYBC-QHAWAJNXSA-N 1 3 397.607 3.907 20 0 GHADHO CC(C)CN1c2ccccc2[C@@]2(CCN([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)C1=O ZINC001246780918 1037620529 /nfs/dbraw/zinc/62/05/29/1037620529.db2.gz VVPVWIZMZMFANZ-ZHRMCQFGSA-N 1 3 383.580 3.799 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246795706 1037633956 /nfs/dbraw/zinc/63/39/56/1037633956.db2.gz KBZXSPJSBKWCOQ-REHUZNOOSA-N 1 3 381.564 3.698 20 0 GHADHO CC[C@@H]1C[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)C[C@H](CC)[NH2+]1 ZINC001246804195 1037637472 /nfs/dbraw/zinc/63/74/72/1037637472.db2.gz DYFLLQGSLIHUOM-RDGPPVDQSA-N 1 3 380.374 3.705 20 0 GHADHO CC[C@@H]1C[C@H](N2CCN[C@H](c3cccc(Br)c3)C2)C[C@H](CC)[NH2+]1 ZINC001246803918 1037637498 /nfs/dbraw/zinc/63/74/98/1037637498.db2.gz DYFLLQGSLIHUOM-MANSERQUSA-N 1 3 380.374 3.705 20 0 GHADHO COc1ccccc1OC1CC[NH+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246850159 1037674874 /nfs/dbraw/zinc/67/48/74/1037674874.db2.gz HMOPOSCAULPBOH-LEWJYISDSA-N 1 3 380.532 3.902 20 0 GHADHO COc1ccc(Cl)c2c1C[C@@H](N1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246870390 1037686510 /nfs/dbraw/zinc/68/65/10/1037686510.db2.gz AMIZKNUFKGVGGX-STSQHVNTSA-N 1 3 382.935 3.679 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1 ZINC001246914680 1037721584 /nfs/dbraw/zinc/72/15/84/1037721584.db2.gz ZWBZUAMGAJMIBF-PLRSXRBSSA-N 1 3 393.550 3.991 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1 ZINC001246914680 1037721605 /nfs/dbraw/zinc/72/16/05/1037721605.db2.gz ZWBZUAMGAJMIBF-PLRSXRBSSA-N 1 3 393.550 3.991 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246914259 1037722146 /nfs/dbraw/zinc/72/21/46/1037722146.db2.gz KPUGZLVMECFOAB-WWEWDKITSA-N 1 3 376.516 3.889 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246914259 1037722168 /nfs/dbraw/zinc/72/21/68/1037722168.db2.gz KPUGZLVMECFOAB-WWEWDKITSA-N 1 3 376.516 3.889 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246914259 1037722185 /nfs/dbraw/zinc/72/21/85/1037722185.db2.gz KPUGZLVMECFOAB-WWEWDKITSA-N 1 3 376.516 3.889 20 0 GHADHO COC(=O)C1(C)CCC([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246952847 1037760225 /nfs/dbraw/zinc/76/02/25/1037760225.db2.gz XZFIFAZOKLLNLQ-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)C1(C)CCC([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246952847 1037760244 /nfs/dbraw/zinc/76/02/44/1037760244.db2.gz XZFIFAZOKLLNLQ-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)[C@H]2CCc3c(C)cccc3C2)c1 ZINC001246954034 1037761197 /nfs/dbraw/zinc/76/11/97/1037761197.db2.gz GBZVHMPDJRTSJO-QHCPKHFHSA-N 1 3 392.543 3.893 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)[C@H]2CCc3c(C)cccc3C2)c1 ZINC001246954034 1037761222 /nfs/dbraw/zinc/76/12/22/1037761222.db2.gz GBZVHMPDJRTSJO-QHCPKHFHSA-N 1 3 392.543 3.893 20 0 GHADHO c1ccc(C(c2ccccc2)N2CC3(C2)CCN([C@@H]2CCCC[NH2+]C2)C3)cc1 ZINC001246997015 1037821698 /nfs/dbraw/zinc/82/16/98/1037821698.db2.gz UDYBIOYIZOJNKU-HSZRJFAPSA-N 1 3 375.560 3.926 20 0 GHADHO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246998734 1037825158 /nfs/dbraw/zinc/82/51/58/1037825158.db2.gz ZSSHXVKGSKLCLM-VABKMULXSA-N 1 3 378.516 3.973 20 0 GHADHO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246998734 1037825188 /nfs/dbraw/zinc/82/51/88/1037825188.db2.gz ZSSHXVKGSKLCLM-VABKMULXSA-N 1 3 378.516 3.973 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC[C@H](N3CCCCC3)[C@@H](F)C2)CC[NH2+]1 ZINC001247014466 1037837857 /nfs/dbraw/zinc/83/78/57/1037837857.db2.gz DBBJABWDPIUVOA-UVUJQTEASA-N 1 3 377.523 3.826 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cnn3ccccc13)CC2 ZINC001233237036 1038996155 /nfs/dbraw/zinc/99/61/55/1038996155.db2.gz ODBNTFFXGHNHRB-UHFFFAOYSA-N 1 3 375.520 3.606 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cnn3ccccc13)CC2 ZINC001233237036 1038996157 /nfs/dbraw/zinc/99/61/57/1038996157.db2.gz ODBNTFFXGHNHRB-UHFFFAOYSA-N 1 3 375.520 3.606 20 0 GHADHO C[C@@H]1CC[C@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001462343797 1070186885 /nfs/dbraw/zinc/18/68/85/1070186885.db2.gz QRKBLPGBKDXFAN-UYAOXDASSA-N 1 3 387.568 3.934 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@H](O)c1ccc(F)cc1)CC2 ZINC001252843599 1039202976 /nfs/dbraw/zinc/20/29/76/1039202976.db2.gz WJJRXUJQSSZOJU-GOTSBHOMSA-N 1 3 398.522 3.615 20 0 GHADHO CC[NH+](CC)C[C@H](O)CN1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1 ZINC001253195561 1039470295 /nfs/dbraw/zinc/47/02/95/1039470295.db2.gz RETLDNVPLPUJSR-ZEQRLZLVSA-N 1 3 396.575 3.744 20 0 GHADHO C[C@H](C[NH+](C)C)Oc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001233829467 1039650796 /nfs/dbraw/zinc/65/07/96/1039650796.db2.gz RXPHEYHGYDUCLD-QGZVFWFLSA-N 1 3 391.556 3.505 20 0 GHADHO CCC[NH+](CCC)CCN1CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254628099 1040405876 /nfs/dbraw/zinc/40/58/76/1040405876.db2.gz AMKGRJFHMQVOIT-UHFFFAOYSA-N 1 3 390.591 3.534 20 0 GHADHO COC(=O)c1ccc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)c(Cl)c1 ZINC001235091367 1040579754 /nfs/dbraw/zinc/57/97/54/1040579754.db2.gz POQDAEZVHFOMGI-UHFFFAOYSA-N 1 3 384.907 3.764 20 0 GHADHO COc1cc(OC)c(C[N@@H+]2CC[C@@]3(C2)CNCCC3(F)F)c2ccccc12 ZINC001235091657 1040582087 /nfs/dbraw/zinc/58/20/87/1040582087.db2.gz HAJILVBHUPQRHO-FQEVSTJZSA-N 1 3 376.447 3.678 20 0 GHADHO COc1cc(OC)c(C[N@H+]2CC[C@@]3(C2)CNCCC3(F)F)c2ccccc12 ZINC001235091657 1040582094 /nfs/dbraw/zinc/58/20/94/1040582094.db2.gz HAJILVBHUPQRHO-FQEVSTJZSA-N 1 3 376.447 3.678 20 0 GHADHO CCCN1C[C@@H]2C[N@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001254879690 1040628440 /nfs/dbraw/zinc/62/84/40/1040628440.db2.gz PTFZWUQVBNTTBN-MAODHWIISA-N 1 3 391.600 3.830 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001254879690 1040628453 /nfs/dbraw/zinc/62/84/53/1040628453.db2.gz PTFZWUQVBNTTBN-MAODHWIISA-N 1 3 391.600 3.830 20 0 GHADHO Cn1cc(C(=O)c2ccc(F)cc2)cc1CN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151761 1040642002 /nfs/dbraw/zinc/64/20/02/1040642002.db2.gz BCGHLEJVYSZGSV-QFIPXVFZSA-N 1 3 383.511 3.749 20 0 GHADHO COC(=O)CCN[C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255070216 1040765207 /nfs/dbraw/zinc/76/52/07/1040765207.db2.gz UKLXOELVQWGRKS-VDKIKQQVSA-N 1 3 392.543 3.904 20 0 GHADHO COC(=O)CCN[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255070216 1040765220 /nfs/dbraw/zinc/76/52/20/1040765220.db2.gz UKLXOELVQWGRKS-VDKIKQQVSA-N 1 3 392.543 3.904 20 0 GHADHO O[C@H](CF)CN[C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075837 1040767531 /nfs/dbraw/zinc/76/75/31/1040767531.db2.gz JEIZSYINIIIKRB-MOUTVQLLSA-N 1 3 382.523 3.671 20 0 GHADHO O[C@H](CF)CN[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075837 1040767539 /nfs/dbraw/zinc/76/75/39/1040767539.db2.gz JEIZSYINIIIKRB-MOUTVQLLSA-N 1 3 382.523 3.671 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CCCN(c4ccccn4)CC2)C3)cc1 ZINC001255136657 1040839190 /nfs/dbraw/zinc/83/91/90/1040839190.db2.gz MWBRGWPFINASDQ-JKHIJQBDSA-N 1 3 376.548 3.789 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CCCN(c4ccccn4)CC2)C3)cc1 ZINC001255136657 1040839196 /nfs/dbraw/zinc/83/91/96/1040839196.db2.gz MWBRGWPFINASDQ-JKHIJQBDSA-N 1 3 376.548 3.789 20 0 GHADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365614 1040856903 /nfs/dbraw/zinc/85/69/03/1040856903.db2.gz OQHWXJBJTNEOMT-QNIAMRLHSA-N 1 3 392.543 3.847 20 0 GHADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365614 1040856925 /nfs/dbraw/zinc/85/69/25/1040856925.db2.gz OQHWXJBJTNEOMT-QNIAMRLHSA-N 1 3 392.543 3.847 20 0 GHADHO Clc1cc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)ccc1OCc1ccccc1 ZINC001235367412 1040863478 /nfs/dbraw/zinc/86/34/78/1040863478.db2.gz INJDKUJACPZWJL-TXTKFYIRSA-N 1 3 398.934 3.872 20 0 GHADHO Cc1cc(O[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)ncn1 ZINC001255150632 1040867315 /nfs/dbraw/zinc/86/73/15/1040867315.db2.gz ODTYKKWRHHCCRQ-AFXVXQJMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)ncn1 ZINC001255150632 1040867321 /nfs/dbraw/zinc/86/73/21/1040867321.db2.gz ODTYKKWRHHCCRQ-AFXVXQJMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1nccn1-c1ccccc1CN1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369369 1040870280 /nfs/dbraw/zinc/87/02/80/1040870280.db2.gz MGAYELBKDMWCJC-NOZRDPDXSA-N 1 3 386.543 3.934 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001255230754 1040918860 /nfs/dbraw/zinc/91/88/60/1040918860.db2.gz SDPRLFHHGYDCIJ-VJDPLVQDSA-N 1 3 377.573 3.914 20 0 GHADHO Cc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1I ZINC001235429629 1040930992 /nfs/dbraw/zinc/93/09/92/1040930992.db2.gz BSDZWQJXFSRDRG-DLBZAZTESA-N 1 3 398.332 3.811 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)C1 ZINC001255401191 1040987886 /nfs/dbraw/zinc/98/78/86/1040987886.db2.gz ROTPEPDGLWUEKG-LOSJGSFVSA-N 1 3 399.623 3.864 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)C1 ZINC001255401191 1040987887 /nfs/dbraw/zinc/98/78/87/1040987887.db2.gz ROTPEPDGLWUEKG-LOSJGSFVSA-N 1 3 399.623 3.864 20 0 GHADHO Cc1nc(F)ccc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001235812346 1041325084 /nfs/dbraw/zinc/32/50/84/1041325084.db2.gz VIBINPOWUJNBKP-NRFANRHFSA-N 1 3 383.511 3.785 20 0 GHADHO Cc1nc(F)ccc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001235812346 1041325095 /nfs/dbraw/zinc/32/50/95/1041325095.db2.gz VIBINPOWUJNBKP-NRFANRHFSA-N 1 3 383.511 3.785 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C2 ZINC001255941419 1041429834 /nfs/dbraw/zinc/42/98/34/1041429834.db2.gz QNFYKZXDAAQOCQ-WOIUINJBSA-N 1 3 397.604 3.503 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001255958712 1041436477 /nfs/dbraw/zinc/43/64/77/1041436477.db2.gz FDAOAZYCLWWSNK-PMACEKPBSA-N 1 3 393.641 3.924 20 0 GHADHO Fc1c(CN2CCCCC2)cccc1-c1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC001236012138 1041504952 /nfs/dbraw/zinc/50/49/52/1041504952.db2.gz LANPPPRZDAQGBB-UHFFFAOYSA-N 1 3 393.510 3.988 20 0 GHADHO Fc1c(CN2CCCCC2)cccc1-c1ccc2nc([C@H]3CC[NH2+]C3)nn2c1 ZINC001236022383 1041510237 /nfs/dbraw/zinc/51/02/37/1041510237.db2.gz YGYARWMCCVXACJ-INIZCTEOSA-N 1 3 379.483 3.598 20 0 GHADHO [NH3+]CC1CN([C@H]2CCCN(Cc3ccc(Oc4ccc(Cl)cc4)cc3)C2)C1 ZINC001236080576 1041524731 /nfs/dbraw/zinc/52/47/31/1041524731.db2.gz VMXFDLJLJHBHII-FQEVSTJZSA-N 1 3 385.939 3.987 20 0 GHADHO Clc1cccc(OC2CCN(Cc3cn4c5c3cccc5C[NH2+]CC4)CC2)n1 ZINC001236089008 1041527091 /nfs/dbraw/zinc/52/70/91/1041527091.db2.gz LWFRWZVHKJCBLR-UHFFFAOYSA-N 1 3 396.922 3.836 20 0 GHADHO FC(F)(F)c1ccc2c(c1)CCN(Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001236086395 1041528008 /nfs/dbraw/zinc/52/80/08/1041528008.db2.gz KCXFQKJNQDRHIM-UHFFFAOYSA-N 1 3 375.438 3.673 20 0 GHADHO COc1cc(C[N@H+](CC(C)(C)C)C2CCNCC2)ccc1OC(=O)C(C)C ZINC001236457331 1041720849 /nfs/dbraw/zinc/72/08/49/1041720849.db2.gz MPBVUGMLSQTQJD-UHFFFAOYSA-N 1 3 376.541 3.857 20 0 GHADHO COc1cc(C[N@@H+](CC(C)(C)C)C2CCNCC2)ccc1OC(=O)C(C)C ZINC001236457331 1041720859 /nfs/dbraw/zinc/72/08/59/1041720859.db2.gz MPBVUGMLSQTQJD-UHFFFAOYSA-N 1 3 376.541 3.857 20 0 GHADHO COc1cc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc(Br)c1[O-] ZINC001236549730 1041758886 /nfs/dbraw/zinc/75/88/86/1041758886.db2.gz AGBIBNDSETVQCX-SHTZXODSSA-N 1 3 385.346 3.891 20 0 GHADHO COc1cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc(Br)c1[O-] ZINC001236549730 1041758888 /nfs/dbraw/zinc/75/88/88/1041758888.db2.gz AGBIBNDSETVQCX-SHTZXODSSA-N 1 3 385.346 3.891 20 0 GHADHO CCOc1ncc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc1F ZINC001236690758 1041833986 /nfs/dbraw/zinc/83/39/86/1041833986.db2.gz QPLILMODKLPYMP-UHFFFAOYSA-N 1 3 398.526 3.891 20 0 GHADHO CCOc1ncc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1F ZINC001236690758 1041833988 /nfs/dbraw/zinc/83/39/88/1041833988.db2.gz QPLILMODKLPYMP-UHFFFAOYSA-N 1 3 398.526 3.891 20 0 GHADHO COc1nc(OC)c(CN(Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236726698 1041859787 /nfs/dbraw/zinc/85/97/87/1041859787.db2.gz NPPXCHKITINVPM-MEMLXQNLSA-N 1 3 383.536 3.988 20 0 GHADHO CNc1nc(SC)ncc1CN(Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236728798 1041860134 /nfs/dbraw/zinc/86/01/34/1041860134.db2.gz IUJMXNYGICVGDA-WGSAOQKQSA-N 1 3 385.581 3.821 20 0 GHADHO Brc1ccn2c(CN3CCC(CC4CC[NH2+]CC4)CC3)cnc2c1 ZINC001236963269 1041971427 /nfs/dbraw/zinc/97/14/27/1041971427.db2.gz YUXGWUWDJPAARK-UHFFFAOYSA-N 1 3 391.357 3.699 20 0 GHADHO Brc1ccc(C[C@@H]2CCCN2Cc2nc3c(s2)C[NH2+]CC3)cc1 ZINC001237259744 1042111834 /nfs/dbraw/zinc/11/18/34/1042111834.db2.gz XVTIMGREFHNAHJ-HNNXBMFYSA-N 1 3 392.366 3.758 20 0 GHADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C[C@@H]2C1 ZINC001237724321 1042342806 /nfs/dbraw/zinc/34/28/06/1042342806.db2.gz OZTMTOHBBQWKJX-UXHICEINSA-N 1 3 385.552 3.758 20 0 GHADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C[C@@H]2C1 ZINC001237724321 1042342813 /nfs/dbraw/zinc/34/28/13/1042342813.db2.gz OZTMTOHBBQWKJX-UXHICEINSA-N 1 3 385.552 3.758 20 0 GHADHO COC[C@H]1COCCC12CC[NH+](Cc1ccc3c(c1)C(C(C)C)=NCC3)CC2 ZINC001237876357 1042404789 /nfs/dbraw/zinc/40/47/89/1042404789.db2.gz GDLQWZAXHNDQHO-NRFANRHFSA-N 1 3 384.564 3.953 20 0 GHADHO c1ccc(Oc2cnccn2)c(CN2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001238016824 1042460411 /nfs/dbraw/zinc/46/04/11/1042460411.db2.gz LQOUISYGDLTYPT-UHFFFAOYSA-N 1 3 396.535 3.593 20 0 GHADHO CN1CC[NH+](C2CCN(Cc3ccc(-c4ccc(Cl)cn4)cc3)CC2)CC1 ZINC001238683746 1042683116 /nfs/dbraw/zinc/68/31/16/1042683116.db2.gz TXHAFEWYAJQEAA-UHFFFAOYSA-N 1 3 384.955 3.614 20 0 GHADHO S=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(Oc2ccccc2)cc1 ZINC001239361540 1042813327 /nfs/dbraw/zinc/81/33/27/1042813327.db2.gz ABZYZPTZMWQFCO-SFHVURJKSA-N 1 3 396.560 3.640 20 0 GHADHO CCN(CC)Cc1cc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)ccc1F ZINC001240817264 1042956419 /nfs/dbraw/zinc/95/64/19/1042956419.db2.gz NCQRXOKHBYTFKW-UHFFFAOYSA-N 1 3 381.495 3.908 20 0 GHADHO CC(C)(C)N1CCC([NH2+][C@H]2CCN(Cc3cccc(Br)c3)C2)CC1 ZINC001256565887 1043539357 /nfs/dbraw/zinc/53/93/57/1043539357.db2.gz MPVYTMJCXRPDBI-IBGZPJMESA-N 1 3 394.401 3.876 20 0 GHADHO CC(C)(C)N1CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001256574034 1043547954 /nfs/dbraw/zinc/54/79/54/1043547954.db2.gz UNCKOFLDDDVROP-REWPJTCUSA-N 1 3 387.568 3.594 20 0 GHADHO CC(C)(C)N1CCC([N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001256574034 1043547964 /nfs/dbraw/zinc/54/79/64/1043547964.db2.gz UNCKOFLDDDVROP-REWPJTCUSA-N 1 3 387.568 3.594 20 0 GHADHO COCCCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577902 1043549493 /nfs/dbraw/zinc/54/94/93/1043549493.db2.gz XTWFIHKBKUTKMZ-LJQANCHMSA-N 1 3 397.604 3.597 20 0 GHADHO CN(C)Cc1ccc(CSCC[NH2+]C2CCN(Cc3ccccc3)CC2)o1 ZINC001256595307 1043561323 /nfs/dbraw/zinc/56/13/23/1043561323.db2.gz ABLXKDZJDCDUAC-UHFFFAOYSA-N 1 3 387.593 3.829 20 0 GHADHO Clc1ccccc1C1([NH2+]C2CCC(N3CCOCC3)CC2)CCOCC1 ZINC001256680719 1043617673 /nfs/dbraw/zinc/61/76/73/1043617673.db2.gz BPAYQIWVWYHITI-UHFFFAOYSA-N 1 3 378.944 3.579 20 0 GHADHO CC(C)([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1Br ZINC001256682217 1043619557 /nfs/dbraw/zinc/61/95/57/1043619557.db2.gz GVHNSMAGWZJBCC-UHFFFAOYSA-N 1 3 381.358 3.917 20 0 GHADHO CN(C)CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001292334362 1043690921 /nfs/dbraw/zinc/69/09/21/1043690921.db2.gz FAKLRDUSDXESOQ-QHCPKHFHSA-N 1 3 391.559 3.884 20 0 GHADHO CN(C)CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001292334362 1043690929 /nfs/dbraw/zinc/69/09/29/1043690929.db2.gz FAKLRDUSDXESOQ-QHCPKHFHSA-N 1 3 391.559 3.884 20 0 GHADHO CC(C)[C@H]1C[C@@H]([NH+]2CCC(N(C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206892 1043936649 /nfs/dbraw/zinc/93/66/49/1043936649.db2.gz XFBLGFFYLXWDMJ-VQTJNVASSA-N 1 3 379.589 3.969 20 0 GHADHO CCCCOC(=O)CC[C@H](C)[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001257399378 1043985389 /nfs/dbraw/zinc/98/53/89/1043985389.db2.gz ZCUTVRFGNLPPEO-FQEVSTJZSA-N 1 3 387.568 3.882 20 0 GHADHO CCCN1C[C@H]2C[NH+](C3CCC(C4CCC5(CC4)OCCO5)CC3)C[C@@H]2C1 ZINC001257497615 1044022966 /nfs/dbraw/zinc/02/29/66/1044022966.db2.gz KLGCSCCLMDFNAK-IITXJAJYSA-N 1 3 376.585 3.752 20 0 GHADHO CC(C)CN1CCC([NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)CC1 ZINC001258015541 1044344604 /nfs/dbraw/zinc/34/46/04/1044344604.db2.gz VNKCBBZDLGTJFC-QFIPXVFZSA-N 1 3 383.580 3.587 20 0 GHADHO Fc1cccc(N2CCC([NH2+]CC3CCN(Cc4ccccn4)CC3)CC2)c1 ZINC001258417108 1044549779 /nfs/dbraw/zinc/54/97/79/1044549779.db2.gz RPMPPKMPRYJPDO-UHFFFAOYSA-N 1 3 382.527 3.691 20 0 GHADHO O=C1CC[C@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CCN1Cc1ccccc1 ZINC001258579023 1044653801 /nfs/dbraw/zinc/65/38/01/1044653801.db2.gz GRSYJHRDCXMETB-GGAORHGYSA-N 1 3 395.591 3.978 20 0 GHADHO CCC[C@@H](Cc1ccccc1)N1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001258656676 1044694231 /nfs/dbraw/zinc/69/42/31/1044694231.db2.gz QVGORCAMGYDQGJ-QFIPXVFZSA-N 1 3 396.579 3.702 20 0 GHADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258710597 1044727618 /nfs/dbraw/zinc/72/76/18/1044727618.db2.gz YACFOELTFIWULT-QHCPKHFHSA-N 1 3 395.591 3.612 20 0 GHADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258710597 1044727631 /nfs/dbraw/zinc/72/76/31/1044727631.db2.gz YACFOELTFIWULT-QHCPKHFHSA-N 1 3 395.591 3.612 20 0 GHADHO CC(C)C1CCC([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC1 ZINC001258798152 1044767778 /nfs/dbraw/zinc/76/77/78/1044767778.db2.gz UMWWWGXANOBVMC-VTLFHKLASA-N 1 3 385.596 3.606 20 0 GHADHO COc1cc(C[C@H](C)N2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC001258875059 1044819499 /nfs/dbraw/zinc/81/94/99/1044819499.db2.gz XELHBCTYCWUSDS-YSIASYRMSA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@H](C)N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC001258875059 1044819523 /nfs/dbraw/zinc/81/95/23/1044819523.db2.gz XELHBCTYCWUSDS-YSIASYRMSA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@H](C)[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)cc(OC)c1OC ZINC001258875059 1044819544 /nfs/dbraw/zinc/81/95/44/1044819544.db2.gz XELHBCTYCWUSDS-YSIASYRMSA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@H](C)[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)cc(OC)c1OC ZINC001258875059 1044819564 /nfs/dbraw/zinc/81/95/64/1044819564.db2.gz XELHBCTYCWUSDS-YSIASYRMSA-N 1 3 390.568 3.982 20 0 GHADHO CC[NH+](CC)CCCn1c(C(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001295524310 1045042489 /nfs/dbraw/zinc/04/24/89/1045042489.db2.gz IIHLPZAXMNXENH-UHFFFAOYSA-N 1 3 392.636 3.692 20 0 GHADHO C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N1CCCCCC1 ZINC001301486015 1046563516 /nfs/dbraw/zinc/56/35/16/1046563516.db2.gz IHCWJBZEPPOZRM-IRLDBZIGSA-N 1 3 383.580 3.669 20 0 GHADHO C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N1CCCCCC1 ZINC001301486015 1046563532 /nfs/dbraw/zinc/56/35/32/1046563532.db2.gz IHCWJBZEPPOZRM-IRLDBZIGSA-N 1 3 383.580 3.669 20 0 GHADHO Fc1ccc(Cl)cc1CN1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279384648 1047788208 /nfs/dbraw/zinc/78/82/08/1047788208.db2.gz XOTOEXXKHZCNEF-CALCHBBNSA-N 1 3 376.907 3.520 20 0 GHADHO Fc1ccc(Cl)cc1CN1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279384648 1047788213 /nfs/dbraw/zinc/78/82/13/1047788213.db2.gz XOTOEXXKHZCNEF-CALCHBBNSA-N 1 3 376.907 3.520 20 0 GHADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@]3(CCCN(CCCC(F)(F)F)C3)C2)C1 ZINC001279501765 1047826275 /nfs/dbraw/zinc/82/62/75/1047826275.db2.gz JKQCSJSALKWNLA-MOPGFXCFSA-N 1 3 375.523 3.849 20 0 GHADHO CN1CCC[C@@H](C[N@H+]2CCC[C@]3(CCCN(CCCC(F)(F)F)C3)C2)C1 ZINC001279501765 1047826284 /nfs/dbraw/zinc/82/62/84/1047826284.db2.gz JKQCSJSALKWNLA-MOPGFXCFSA-N 1 3 375.523 3.849 20 0 GHADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3ccc(Cl)cc3Cl)(C1)C2 ZINC001279951470 1048003145 /nfs/dbraw/zinc/00/31/45/1048003145.db2.gz HEZHQRRQKCBWDJ-UHFFFAOYSA-N 1 3 398.378 3.806 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001290890853 1049945172 /nfs/dbraw/zinc/94/51/72/1049945172.db2.gz HKQLUPVMOZMFLT-WZONZLPQSA-N 1 3 389.559 3.747 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001290890853 1049945174 /nfs/dbraw/zinc/94/51/74/1049945174.db2.gz HKQLUPVMOZMFLT-WZONZLPQSA-N 1 3 389.559 3.747 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001290890850 1049945287 /nfs/dbraw/zinc/94/52/87/1049945287.db2.gz HKQLUPVMOZMFLT-FDDCHVKYSA-N 1 3 389.559 3.747 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001290890850 1049945291 /nfs/dbraw/zinc/94/52/91/1049945291.db2.gz HKQLUPVMOZMFLT-FDDCHVKYSA-N 1 3 389.559 3.747 20 0 GHADHO Cc1cc(C)c(/C=C\CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1C ZINC001308747911 1050080160 /nfs/dbraw/zinc/08/01/60/1050080160.db2.gz JOOVAIOYPXWDFO-VURMDHGXSA-N 1 3 397.607 3.939 20 0 GHADHO CN1CCCC[C@H](C[NH2+]CCC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001308865001 1050129844 /nfs/dbraw/zinc/12/98/44/1050129844.db2.gz UVPLVGAANXVXBQ-YGFFAISXSA-N 1 3 379.589 3.876 20 0 GHADHO O[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1Cl ZINC001335950378 1052207439 /nfs/dbraw/zinc/20/74/39/1052207439.db2.gz IJOVITWQGAOITA-HXUWFJFHSA-N 1 3 394.346 3.924 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)N(C)C)cc1 ZINC001311572389 1052255380 /nfs/dbraw/zinc/25/53/80/1052255380.db2.gz RZPULRMMNSUSQQ-DHIUTWEWSA-N 1 3 396.579 3.762 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(CC2CCCCC2)CC1 ZINC001312995840 1052929622 /nfs/dbraw/zinc/92/96/22/1052929622.db2.gz MWDQICLEIFGWPN-IBGZPJMESA-N 1 3 380.621 3.650 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(CC2CCCCC2)CC1 ZINC001312995840 1052929626 /nfs/dbraw/zinc/92/96/26/1052929626.db2.gz MWDQICLEIFGWPN-IBGZPJMESA-N 1 3 380.621 3.650 20 0 GHADHO CCN1C[C@@H](C)N(c2nnc(C3CCCC3)n2CC[N@H+](CC)C(C)C)C[C@@H]1C ZINC001313816242 1053245110 /nfs/dbraw/zinc/24/51/10/1053245110.db2.gz TWPKVGBJTZAQBQ-RBUKOAKNSA-N 1 3 390.620 3.585 20 0 GHADHO CCN1C[C@@H](C)N(c2nnc(C3CCCC3)n2CC[N@@H+](CC)C(C)C)C[C@@H]1C ZINC001313816242 1053245120 /nfs/dbraw/zinc/24/51/20/1053245120.db2.gz TWPKVGBJTZAQBQ-RBUKOAKNSA-N 1 3 390.620 3.585 20 0 GHADHO CSCc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849051024 1057560321 /nfs/dbraw/zinc/56/03/21/1057560321.db2.gz SFUMKAWDJDNABL-UHFFFAOYSA-N 1 3 382.577 3.828 20 0 GHADHO [NH2+]=C(NCCSCc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849055182 1057566352 /nfs/dbraw/zinc/56/63/52/1057566352.db2.gz KOTWOMDATLSFHM-UHFFFAOYSA-N 1 3 382.577 3.698 20 0 GHADHO CCOCc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849059631 1057570141 /nfs/dbraw/zinc/57/01/41/1057570141.db2.gz YQWNZUWWMBNADD-UHFFFAOYSA-N 1 3 380.536 3.502 20 0 GHADHO COc1ccc(C(C)(C)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849073380 1057581474 /nfs/dbraw/zinc/58/14/74/1057581474.db2.gz PWPUYFACKQWFOF-UHFFFAOYSA-N 1 3 394.563 3.751 20 0 GHADHO COc1ccc([C@H](C)CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849092634 1057592128 /nfs/dbraw/zinc/59/21/28/1057592128.db2.gz VXUONXLQIOUUNQ-LJQANCHMSA-N 1 3 394.563 3.967 20 0 GHADHO O=C([C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCN(CC2CCCCC2)CC1 ZINC001442470663 1058964720 /nfs/dbraw/zinc/96/47/20/1058964720.db2.gz FZLONOHZVZJVAL-DEOSSOPVSA-N 1 3 397.607 3.666 20 0 GHADHO O=C([C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCN(CC2CCCCC2)CC1 ZINC001442470663 1058964725 /nfs/dbraw/zinc/96/47/25/1058964725.db2.gz FZLONOHZVZJVAL-DEOSSOPVSA-N 1 3 397.607 3.666 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001339112502 1058965463 /nfs/dbraw/zinc/96/54/63/1058965463.db2.gz SQHWMJFRHCTDEX-JOCHJYFZSA-N 1 3 386.584 3.729 20 0 GHADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001443208473 1059083847 /nfs/dbraw/zinc/08/38/47/1059083847.db2.gz OLJATZRVWQZGID-FQEVSTJZSA-N 1 3 389.559 3.761 20 0 GHADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001443208473 1059083875 /nfs/dbraw/zinc/08/38/75/1059083875.db2.gz OLJATZRVWQZGID-FQEVSTJZSA-N 1 3 389.559 3.761 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001450132463 1060538472 /nfs/dbraw/zinc/53/84/72/1060538472.db2.gz PGUYCTSZOUYRBF-WOJBJXKFSA-N 1 3 377.598 3.638 20 0 GHADHO CC(C)C[NH+]1CCC(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001452135716 1060904460 /nfs/dbraw/zinc/90/44/60/1060904460.db2.gz PVBARECNYINBMJ-HSZRJFAPSA-N 1 3 385.596 3.866 20 0 GHADHO Cc1cccc(CCCN2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1 ZINC001459719691 1064185690 /nfs/dbraw/zinc/18/56/90/1064185690.db2.gz XPNOIPSXNYFYMV-UHFFFAOYSA-N 1 3 381.564 3.690 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3c(F)ccc(C4OCCO4)c3Cl)C[C@H]2C1 ZINC001352114020 1064845600 /nfs/dbraw/zinc/84/56/00/1064845600.db2.gz XMJNVXCVEKSNKO-RRFJBIMHSA-N 1 3 382.907 3.687 20 0 GHADHO CCCN(CCN(C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001353874595 1066330493 /nfs/dbraw/zinc/33/04/93/1066330493.db2.gz JRYCYQWHPCVXSJ-XZOQPEGZSA-N 1 3 385.596 3.725 20 0 GHADHO CCCN(CCN(C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001353874595 1066330510 /nfs/dbraw/zinc/33/05/10/1066330510.db2.gz JRYCYQWHPCVXSJ-XZOQPEGZSA-N 1 3 385.596 3.725 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001357338104 1067052518 /nfs/dbraw/zinc/05/25/18/1067052518.db2.gz NZQOGRZHQANGIG-ZWKOTPCHSA-N 1 3 375.582 3.561 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3CCN3C(C)(C)C)c2)CC1 ZINC001467569774 1067364731 /nfs/dbraw/zinc/36/47/31/1067364731.db2.gz DRXLSALMLWUTRR-NRFANRHFSA-N 1 3 386.584 3.591 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](CC3CC3)CC2)N2CCCC2)cc1 ZINC001477674860 1078520625 /nfs/dbraw/zinc/52/06/25/1078520625.db2.gz RWGRTOMEWLXSIG-HSZRJFAPSA-N 1 3 398.595 3.553 20 0 GHADHO CCC(CC)[C@H](CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)[NH+]1CCCC1 ZINC001467943755 1067540170 /nfs/dbraw/zinc/54/01/70/1067540170.db2.gz SEUBMUFGORKROT-YADHBBJMSA-N 1 3 388.600 3.798 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)N(C)C)cc1 ZINC001468351914 1067699049 /nfs/dbraw/zinc/69/90/49/1067699049.db2.gz SEYMURMTAPHJRN-FCHUYYIVSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)N(C)C)cc1 ZINC001468351914 1067699053 /nfs/dbraw/zinc/69/90/53/1067699053.db2.gz SEYMURMTAPHJRN-FCHUYYIVSA-N 1 3 386.584 3.694 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001477905979 1078620809 /nfs/dbraw/zinc/62/08/09/1078620809.db2.gz MVDLFZPCQJNFAR-FQEVSTJZSA-N 1 3 388.600 3.879 20 0 GHADHO C[C@H](CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC001478418245 1078859622 /nfs/dbraw/zinc/85/96/22/1078859622.db2.gz LZBVUTHDICBOCM-GOSISDBHSA-N 1 3 394.991 3.678 20 0 GHADHO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N1CCN(C2CCCCC2)CC1 ZINC001478519831 1078902852 /nfs/dbraw/zinc/90/28/52/1078902852.db2.gz WYAHHKDVBIOYPI-UHFFFAOYSA-N 1 3 390.616 3.693 20 0 GHADHO CN(C)c1ncc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC001473982723 1074225736 /nfs/dbraw/zinc/22/57/36/1074225736.db2.gz BRNNQGLATQQJJG-UHFFFAOYSA-N 1 3 378.973 3.864 20 0 GHADHO Cc1cc(C2OCCO2)c(C)cc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001474202373 1074292025 /nfs/dbraw/zinc/29/20/25/1074292025.db2.gz WGOOUIWUQOTSDB-UHFFFAOYSA-N 1 3 395.547 3.746 20 0 GHADHO CCN(Cc1ccc(OCC(=O)OC)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001474325176 1074343412 /nfs/dbraw/zinc/34/34/12/1074343412.db2.gz SMOQNVJMUYYDKZ-QFIPXVFZSA-N 1 3 396.531 3.582 20 0 GHADHO CCN(Cc1ccc(OCC(=O)OC)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001474325176 1074343424 /nfs/dbraw/zinc/34/34/24/1074343424.db2.gz SMOQNVJMUYYDKZ-QFIPXVFZSA-N 1 3 396.531 3.582 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC[NH+]1CCCCCC1 ZINC001495288235 1079398207 /nfs/dbraw/zinc/39/82/07/1079398207.db2.gz WXTIHKYGXHKYBM-XUVXKRRUSA-N 1 3 390.620 3.587 20 0 GHADHO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000647552350 837521583 /nfs/dbraw/zinc/52/15/83/837521583.db2.gz TYYZEHXWEDZANQ-IRXDYDNUSA-N 1 3 394.519 3.772 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)Cc3ccccc3C)CC2)CC1 ZINC000654703819 834357861 /nfs/dbraw/zinc/35/78/61/834357861.db2.gz STPUYDJAPGLPAG-UHFFFAOYSA-N 1 3 385.596 3.629 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CC3CC3)c3ccccc3)CC2)CC1 ZINC000654833293 834642765 /nfs/dbraw/zinc/64/27/65/834642765.db2.gz DMBXPVASMJOENS-QHCPKHFHSA-N 1 3 383.580 3.840 20 0 GHADHO COC[C@]1(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)OCCc2ccccc21 ZINC000685655554 835269010 /nfs/dbraw/zinc/26/90/10/835269010.db2.gz JXYIFBWGLQDARM-AMDXRBSFSA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)OCCc2ccccc21 ZINC000685655554 835269014 /nfs/dbraw/zinc/26/90/14/835269014.db2.gz JXYIFBWGLQDARM-AMDXRBSFSA-N 1 3 394.559 3.601 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3NC3CCC3)CC2)CC1 ZINC000655162170 835324256 /nfs/dbraw/zinc/32/42/56/835324256.db2.gz DZETZAGIRRYARB-UHFFFAOYSA-N 1 3 384.568 3.786 20 0 GHADHO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000683229768 835325515 /nfs/dbraw/zinc/32/55/15/835325515.db2.gz WENLMUUAUYZIEJ-OPEMAFOOSA-N 1 3 382.523 3.792 20 0 GHADHO COc1ccc([C@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137091 835461397 /nfs/dbraw/zinc/46/13/97/835461397.db2.gz JZRBJOLZWKQXQH-AUSIDOKSSA-N 1 3 386.511 3.888 20 0 GHADHO COc1ccc([C@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137091 835461398 /nfs/dbraw/zinc/46/13/98/835461398.db2.gz JZRBJOLZWKQXQH-AUSIDOKSSA-N 1 3 386.511 3.888 20 0 GHADHO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167786 835482268 /nfs/dbraw/zinc/48/22/68/835482268.db2.gz UHUOVZHSLROYFH-SFHVURJKSA-N 1 3 377.536 3.781 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C3CCC(F)(F)CC3)CC2)CC1 ZINC000655340544 835550676 /nfs/dbraw/zinc/55/06/76/835550676.db2.gz GNLJUXDLNJYULN-MRXNPFEDSA-N 1 3 385.543 3.513 20 0 GHADHO CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000658296125 835560193 /nfs/dbraw/zinc/56/01/93/835560193.db2.gz GNULUIXNSBNECL-DXBBTUNJSA-N 1 3 383.580 3.524 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000584108657 835649564 /nfs/dbraw/zinc/64/95/64/835649564.db2.gz NJHSPJKBHHVOKW-MDYRTPRTSA-N 1 3 394.968 3.814 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000584108657 835649567 /nfs/dbraw/zinc/64/95/67/835649567.db2.gz NJHSPJKBHHVOKW-MDYRTPRTSA-N 1 3 394.968 3.814 20 0 GHADHO Cc1cc(N2CCC([NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)CC2)nc(C)n1 ZINC000274897770 835787241 /nfs/dbraw/zinc/78/72/41/835787241.db2.gz KQDGDKKMEYSGHU-UGKGYDQZSA-N 1 3 393.579 3.562 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC000655445706 835919493 /nfs/dbraw/zinc/91/94/93/835919493.db2.gz JHKNFMAHXAZDBW-NSHGMRRFSA-N 1 3 397.485 3.594 20 0 GHADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(CN(C)C)c1 ZINC000151860678 835949230 /nfs/dbraw/zinc/94/92/30/835949230.db2.gz PXUYDIABEPDULB-QFIPXVFZSA-N 1 3 395.547 3.581 20 0 GHADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(CN(C)C)c1 ZINC000151860678 835949236 /nfs/dbraw/zinc/94/92/36/835949236.db2.gz PXUYDIABEPDULB-QFIPXVFZSA-N 1 3 395.547 3.581 20 0 GHADHO COc1cccc([C@@H](NCC2CC[NH+](CCO)CC2)c2ccccc2Cl)c1 ZINC000180486448 836179116 /nfs/dbraw/zinc/17/91/16/836179116.db2.gz QIKSHGZLPUUNMO-JOCHJYFZSA-N 1 3 388.939 3.732 20 0 GHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000511502733 836293391 /nfs/dbraw/zinc/29/33/91/836293391.db2.gz FALLRLOVPSHKMY-UHFFFAOYSA-N 1 3 378.564 3.541 20 0 GHADHO CCN1CCN(c2ccccc2C[N@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000511502733 836293404 /nfs/dbraw/zinc/29/34/04/836293404.db2.gz FALLRLOVPSHKMY-UHFFFAOYSA-N 1 3 378.564 3.541 20 0 GHADHO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC001209452997 836588124 /nfs/dbraw/zinc/58/81/24/836588124.db2.gz BMVDVGDMAVDHNE-UHFFFAOYSA-N 1 3 377.960 3.544 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1nccc2ccccc21 ZINC000414296963 836961761 /nfs/dbraw/zinc/96/17/61/836961761.db2.gz FXZKHJYIFZDBAN-IBGZPJMESA-N 1 3 375.516 3.913 20 0 GHADHO O[C@H](COc1ccccc1Cl)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713060 837336788 /nfs/dbraw/zinc/33/67/88/837336788.db2.gz DKOODNGJDLIBMQ-IBGZPJMESA-N 1 3 380.960 3.668 20 0 GHADHO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000655831861 837997845 /nfs/dbraw/zinc/99/78/45/837997845.db2.gz MCIWMLPPKSJJLJ-MDNUFGMLSA-N 1 3 397.607 3.914 20 0 GHADHO COc1ccc([C@H](CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)N2CCCCC2)cc1 ZINC000659288789 838220449 /nfs/dbraw/zinc/22/04/49/838220449.db2.gz RMOYIZWGWGOJRL-PKTZIBPZSA-N 1 3 393.531 3.573 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccc(Cl)c(C)c3)CC2)CC1 ZINC000576358804 844312933 /nfs/dbraw/zinc/31/29/33/844312933.db2.gz ACHIWQMBAKFYRT-UHFFFAOYSA-N 1 3 391.987 3.503 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)Nc3ccccc3C[NH2+]C)c(C)c2)CC1 ZINC000415907226 838261003 /nfs/dbraw/zinc/26/10/03/838261003.db2.gz ATMJZEMYKLGYLL-UHFFFAOYSA-N 1 3 381.524 3.500 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@H]2NCc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000659319240 838278075 /nfs/dbraw/zinc/27/80/75/838278075.db2.gz LLUOWCCTWUDHIO-KKLQWCBXSA-N 1 3 377.532 3.638 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@H]2NCc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000659319240 838278090 /nfs/dbraw/zinc/27/80/90/838278090.db2.gz LLUOWCCTWUDHIO-KKLQWCBXSA-N 1 3 377.532 3.638 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccsc1 ZINC000659433337 838384734 /nfs/dbraw/zinc/38/47/34/838384734.db2.gz AHBUXNLAXIQYGR-QUCCMNQESA-N 1 3 392.613 3.552 20 0 GHADHO CC[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000188206316 838710006 /nfs/dbraw/zinc/71/00/06/838710006.db2.gz IARNOYMHLMODQH-JOCHJYFZSA-N 1 3 383.511 3.892 20 0 GHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000549821799 844363266 /nfs/dbraw/zinc/36/32/66/844363266.db2.gz GRJQAGXYXXMWQK-UHFFFAOYSA-N 1 3 392.563 3.554 20 0 GHADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000312145176 838931417 /nfs/dbraw/zinc/93/14/17/838931417.db2.gz DMALZDOWDTUVLI-IYWMVGAKSA-N 1 3 379.589 3.876 20 0 GHADHO C[C@@H](NC[C@H]1CC[NH2+][C@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000415107365 839216131 /nfs/dbraw/zinc/21/61/31/839216131.db2.gz OQFABBUOVSZFIK-UPJWGTAASA-N 1 3 379.302 3.538 20 0 GHADHO CCOc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OCC(C)C ZINC000415123299 839243430 /nfs/dbraw/zinc/24/34/30/839243430.db2.gz JISHJESCCGQXBS-NZQKXSOJSA-N 1 3 390.568 3.838 20 0 GHADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000622751917 839422477 /nfs/dbraw/zinc/42/24/77/839422477.db2.gz PIQZZIGGZQVTFB-PZJWPPBQSA-N 1 3 387.543 3.561 20 0 GHADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000622751917 839422486 /nfs/dbraw/zinc/42/24/86/839422486.db2.gz PIQZZIGGZQVTFB-PZJWPPBQSA-N 1 3 387.543 3.561 20 0 GHADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000644530792 839778496 /nfs/dbraw/zinc/77/84/96/839778496.db2.gz OXHGRCLBZOHIIY-GOTSBHOMSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644530792 839778510 /nfs/dbraw/zinc/77/85/10/839778510.db2.gz OXHGRCLBZOHIIY-GOTSBHOMSA-N 1 3 382.548 3.545 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000644574075 839822943 /nfs/dbraw/zinc/82/29/43/839822943.db2.gz SBLCJWFAYOPJPY-DRSNIGMVSA-N 1 3 399.560 3.642 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000644574075 839822965 /nfs/dbraw/zinc/82/29/65/839822965.db2.gz SBLCJWFAYOPJPY-DRSNIGMVSA-N 1 3 399.560 3.642 20 0 GHADHO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)s2)cc1C ZINC000656255766 839853299 /nfs/dbraw/zinc/85/32/99/839853299.db2.gz OYHWUOKMWJUDPN-SIKLNZKXSA-N 1 3 398.620 3.885 20 0 GHADHO Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)s2)cc1C ZINC000656255766 839853306 /nfs/dbraw/zinc/85/33/06/839853306.db2.gz OYHWUOKMWJUDPN-SIKLNZKXSA-N 1 3 398.620 3.885 20 0 GHADHO C[N@H+]1CC=C(CNCc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000539547527 840068839 /nfs/dbraw/zinc/06/88/39/840068839.db2.gz DNKGFERTWOIBBW-UHFFFAOYSA-N 1 3 378.339 3.924 20 0 GHADHO C[N@@H+]1CC=C(CNCc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000539547527 840068845 /nfs/dbraw/zinc/06/88/45/840068845.db2.gz DNKGFERTWOIBBW-UHFFFAOYSA-N 1 3 378.339 3.924 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c2ccccc2)CC1 ZINC000057854832 840074500 /nfs/dbraw/zinc/07/45/00/840074500.db2.gz YVWHDPPVNUZTQZ-XZOQPEGZSA-N 1 3 398.595 3.729 20 0 GHADHO NCCC[N@H+](CCC(=O)Nc1ccccc1Br)CC1CCCC1 ZINC000580773397 840161352 /nfs/dbraw/zinc/16/13/52/840161352.db2.gz AWCHZOAQQLMZID-UHFFFAOYSA-N 1 3 382.346 3.619 20 0 GHADHO NCCC[N@@H+](CCC(=O)Nc1ccccc1Br)CC1CCCC1 ZINC000580773397 840161358 /nfs/dbraw/zinc/16/13/58/840161358.db2.gz AWCHZOAQQLMZID-UHFFFAOYSA-N 1 3 382.346 3.619 20 0 GHADHO COCCOCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000580797019 840192243 /nfs/dbraw/zinc/19/22/43/840192243.db2.gz NPOQVFUKDIUMBP-HYBUGGRVSA-N 1 3 382.548 3.850 20 0 GHADHO COCCOCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000580797019 840192248 /nfs/dbraw/zinc/19/22/48/840192248.db2.gz NPOQVFUKDIUMBP-HYBUGGRVSA-N 1 3 382.548 3.850 20 0 GHADHO Clc1cc(Cl)cc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000466930859 840233694 /nfs/dbraw/zinc/23/36/94/840233694.db2.gz LUIKNYBDJHWKHN-UHFFFAOYSA-N 1 3 387.351 3.949 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000418487172 840308720 /nfs/dbraw/zinc/30/87/20/840308720.db2.gz JFCYWAOETNJLIK-GOSISDBHSA-N 1 3 380.536 3.512 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417012588 840367773 /nfs/dbraw/zinc/36/77/73/840367773.db2.gz XIUGNODSKFMXIH-YSIASYRMSA-N 1 3 392.613 3.695 20 0 GHADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799136 844552194 /nfs/dbraw/zinc/55/21/94/844552194.db2.gz UATMBIMWUDSWRS-DYVFJYSZSA-N 1 3 384.305 3.816 20 0 GHADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799136 844552199 /nfs/dbraw/zinc/55/21/99/844552199.db2.gz UATMBIMWUDSWRS-DYVFJYSZSA-N 1 3 384.305 3.816 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c2ccccc2)CC1 ZINC000417209573 840599076 /nfs/dbraw/zinc/59/90/76/840599076.db2.gz CFJLRUNQMFUVPA-XZOQPEGZSA-N 1 3 398.595 3.633 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000417352482 840770552 /nfs/dbraw/zinc/77/05/52/840770552.db2.gz GKLFCINMLDMIRN-ZRBLBEILSA-N 1 3 398.595 3.696 20 0 GHADHO CC(C)[NH+]1CCN(CCCN(C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000660707108 841122206 /nfs/dbraw/zinc/12/22/06/841122206.db2.gz CCIFXKXJFNTQIC-INIZCTEOSA-N 1 3 377.964 3.625 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(CO)CCc3ccccc32)CC1 ZINC000651883621 841789798 /nfs/dbraw/zinc/78/97/98/841789798.db2.gz LBOBBSRSBRAYES-CPJSRVTESA-N 1 3 378.560 3.548 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000581655770 841918242 /nfs/dbraw/zinc/91/82/42/841918242.db2.gz XZSYNIWYGCYZGZ-QFIPXVFZSA-N 1 3 396.535 3.544 20 0 GHADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000581660984 841930768 /nfs/dbraw/zinc/93/07/68/841930768.db2.gz SISHRRKQRYCJSL-YRFMLNNJSA-N 1 3 383.580 3.559 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544817 842939224 /nfs/dbraw/zinc/93/92/24/842939224.db2.gz JMCJKEPQWQTKBQ-BLKABHOGSA-N 1 3 398.595 3.774 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544817 842939232 /nfs/dbraw/zinc/93/92/32/842939232.db2.gz JMCJKEPQWQTKBQ-BLKABHOGSA-N 1 3 398.595 3.774 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000662290436 843082257 /nfs/dbraw/zinc/08/22/57/843082257.db2.gz CSNHTQOSQNTWLM-TXPKVOOTSA-N 1 3 377.960 3.617 20 0 GHADHO CC(C)[C@H]1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000279554234 843132701 /nfs/dbraw/zinc/13/27/01/843132701.db2.gz MWZKPEMANNMBMD-DHIUTWEWSA-N 1 3 398.595 3.729 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)CC[N@@H+]1Cc1ccccc1 ZINC000662467454 843295316 /nfs/dbraw/zinc/29/53/16/843295316.db2.gz BBQRUFKTQWRYRI-VQIMIIECSA-N 1 3 383.561 3.519 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)CC[N@H+]1Cc1ccccc1 ZINC000662467454 843295321 /nfs/dbraw/zinc/29/53/21/843295321.db2.gz BBQRUFKTQWRYRI-VQIMIIECSA-N 1 3 383.561 3.519 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662503692 843349888 /nfs/dbraw/zinc/34/98/88/843349888.db2.gz VPSCETPHEYKMIR-QUCCMNQESA-N 1 3 395.572 3.521 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503692 843349897 /nfs/dbraw/zinc/34/98/97/843349897.db2.gz VPSCETPHEYKMIR-QUCCMNQESA-N 1 3 395.572 3.521 20 0 GHADHO Cc1cc(NC(=O)C[C@H]2NCc3ccccc32)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000662541984 843391459 /nfs/dbraw/zinc/39/14/59/843391459.db2.gz LLPUYDFSIRSUHG-HSZRJFAPSA-N 1 3 392.547 3.699 20 0 GHADHO CN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418659459 843509305 /nfs/dbraw/zinc/50/93/05/843509305.db2.gz LYJGCBSVTBKZKV-GOTSBHOMSA-N 1 3 394.563 3.773 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431062719 843524926 /nfs/dbraw/zinc/52/49/26/843524926.db2.gz SQIZMTKGTKWPOJ-XMSQKQJNSA-N 1 3 390.531 3.555 20 0 GHADHO Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)CCC2 ZINC000512624208 844817758 /nfs/dbraw/zinc/81/77/58/844817758.db2.gz ICEKSZASGGVYNB-GSPCLOLRSA-N 1 3 378.564 3.959 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600291708 861504381 /nfs/dbraw/zinc/50/43/81/861504381.db2.gz OQCIMHMVLUCLLC-HXUWFJFHSA-N 1 3 385.596 3.710 20 0 GHADHO CN1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000179268371 861515351 /nfs/dbraw/zinc/51/53/51/861515351.db2.gz GYKUUBPMPNRVKE-PKTZIBPZSA-N 1 3 392.547 3.527 20 0 GHADHO C[C@H]1C[C@@H](NCCNc2nccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513212856 845055843 /nfs/dbraw/zinc/05/58/43/845055843.db2.gz RCXZNWPJQVJVAV-RDJZCZTQSA-N 1 3 393.457 3.550 20 0 GHADHO C[C@H]1C[C@@H](NCCNc2nccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000513212856 845055851 /nfs/dbraw/zinc/05/58/51/845055851.db2.gz RCXZNWPJQVJVAV-RDJZCZTQSA-N 1 3 393.457 3.550 20 0 GHADHO Cc1ccccc1CNC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391451 861561540 /nfs/dbraw/zinc/56/15/40/861561540.db2.gz CHDCBLYCJURUQH-HXUWFJFHSA-N 1 3 394.563 3.633 20 0 GHADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124602 845457350 /nfs/dbraw/zinc/45/73/50/845457350.db2.gz DSQSXPXOORHMGS-OYRHEFFESA-N 1 3 383.580 3.764 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373262 845656090 /nfs/dbraw/zinc/65/60/90/845656090.db2.gz OPFCBRHPDFQBPP-FXAWDEMLSA-N 1 3 389.337 3.594 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373262 845656098 /nfs/dbraw/zinc/65/60/98/845656098.db2.gz OPFCBRHPDFQBPP-FXAWDEMLSA-N 1 3 389.337 3.594 20 0 GHADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433957855 845667575 /nfs/dbraw/zinc/66/75/75/845667575.db2.gz LEBUUKNAJZGOPV-OAQYLSRUSA-N 1 3 378.605 3.547 20 0 GHADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000472080453 845731281 /nfs/dbraw/zinc/73/12/81/845731281.db2.gz PAURRHFQDGHYLR-UHOSZYNNSA-N 1 3 399.501 3.791 20 0 GHADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000472080453 845731286 /nfs/dbraw/zinc/73/12/86/845731286.db2.gz PAURRHFQDGHYLR-UHOSZYNNSA-N 1 3 399.501 3.791 20 0 GHADHO CC(C)N(C)c1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)cc1F ZINC001167507809 845754311 /nfs/dbraw/zinc/75/43/11/845754311.db2.gz BAXRFVQWYXDYHI-LJQANCHMSA-N 1 3 392.563 3.805 20 0 GHADHO CC(C)N(C)c1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)cc1F ZINC001167507809 845754319 /nfs/dbraw/zinc/75/43/19/845754319.db2.gz BAXRFVQWYXDYHI-LJQANCHMSA-N 1 3 392.563 3.805 20 0 GHADHO CCc1cccc(OC[C@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000582057993 846184856 /nfs/dbraw/zinc/18/48/56/846184856.db2.gz LUSDMGQOKCJPND-WMZHIEFXSA-N 1 3 382.548 3.804 20 0 GHADHO OC1(C[NH2+]Cc2cscc2C(F)(F)F)CCN(Cc2ccccc2)CC1 ZINC000414529660 846346578 /nfs/dbraw/zinc/34/65/78/846346578.db2.gz WBQRRJDKQYWVFR-UHFFFAOYSA-N 1 3 384.467 3.884 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC000502806460 846489222 /nfs/dbraw/zinc/48/92/22/846489222.db2.gz YSQAKOKXCHEPOP-QFIPXVFZSA-N 1 3 388.600 3.663 20 0 GHADHO Cc1ccc2cc(CNCc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)[nH]c2c1 ZINC000657363928 846587307 /nfs/dbraw/zinc/58/73/07/846587307.db2.gz DOKZIDKTIFOLGJ-UHFFFAOYSA-N 1 3 390.531 3.592 20 0 GHADHO CC1CCC(Oc2cc(C[NH2+]Cc3ccnn3-c3ccncc3)ccn2)CC1 ZINC000657365776 846611510 /nfs/dbraw/zinc/61/15/10/846611510.db2.gz GOVYEWSKOHGPNL-UHFFFAOYSA-N 1 3 377.492 3.910 20 0 GHADHO CC1CCC(Oc2cc(CNCc3ccnn3-c3cc[nH+]cc3)ccn2)CC1 ZINC000657365776 846611517 /nfs/dbraw/zinc/61/15/17/846611517.db2.gz GOVYEWSKOHGPNL-UHFFFAOYSA-N 1 3 377.492 3.910 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(O[C@H]3CCOC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000657389188 846819032 /nfs/dbraw/zinc/81/90/32/846819032.db2.gz SVJZJKLKMQPQLM-UCFCWBNQSA-N 1 3 380.532 3.997 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(O[C@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000657389188 846819040 /nfs/dbraw/zinc/81/90/40/846819040.db2.gz SVJZJKLKMQPQLM-UCFCWBNQSA-N 1 3 380.532 3.997 20 0 GHADHO C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272552331 847108581 /nfs/dbraw/zinc/10/85/81/847108581.db2.gz FLSTVNIQQDATOQ-HYBUGGRVSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552331 847108591 /nfs/dbraw/zinc/10/85/91/847108591.db2.gz FLSTVNIQQDATOQ-HYBUGGRVSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272552331 847108598 /nfs/dbraw/zinc/10/85/98/847108598.db2.gz FLSTVNIQQDATOQ-HYBUGGRVSA-N 1 3 391.559 3.809 20 0 GHADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC(c1ccccc1)c1ccccc1 ZINC000420407885 847171404 /nfs/dbraw/zinc/17/14/04/847171404.db2.gz VSQSACWPLSPGFY-PKTZIBPZSA-N 1 3 391.559 3.746 20 0 GHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000511123129 847212964 /nfs/dbraw/zinc/21/29/64/847212964.db2.gz PMZOPNSHJZNQOV-DEOSSOPVSA-N 1 3 391.559 3.679 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501831120 847226907 /nfs/dbraw/zinc/22/69/07/847226907.db2.gz XKUIGQHGZVATGB-IRLDBZIGSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501831120 847226915 /nfs/dbraw/zinc/22/69/15/847226915.db2.gz XKUIGQHGZVATGB-IRLDBZIGSA-N 1 3 386.584 3.777 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(CCc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000420973391 847600380 /nfs/dbraw/zinc/60/03/80/847600380.db2.gz CESPIPYGBIERQE-UHFFFAOYSA-N 1 3 399.501 3.620 20 0 GHADHO CCN1CCC([N@H+]2CCCN(CCc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000420973391 847600387 /nfs/dbraw/zinc/60/03/87/847600387.db2.gz CESPIPYGBIERQE-UHFFFAOYSA-N 1 3 399.501 3.620 20 0 GHADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422726305 847799549 /nfs/dbraw/zinc/79/95/49/847799549.db2.gz DLLBXCOKMVCISD-LWYYNNOASA-N 1 3 381.486 3.790 20 0 GHADHO FC(F)Oc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422763753 847824675 /nfs/dbraw/zinc/82/46/75/847824675.db2.gz PEGMHMFIUNERFD-XLAORIBOSA-N 1 3 379.495 3.767 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000422832332 847845293 /nfs/dbraw/zinc/84/52/93/847845293.db2.gz FQFMCYAMXFIVQD-STQMWFEESA-N 1 3 378.314 3.729 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422899623 847878751 /nfs/dbraw/zinc/87/87/51/847878751.db2.gz HXILHECNICELJH-YALNPMBYSA-N 1 3 387.351 3.634 20 0 GHADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1C(F)(F)F ZINC000422919416 847903342 /nfs/dbraw/zinc/90/33/42/847903342.db2.gz JUTUQSTZSWWPIW-JOCBIADPSA-N 1 3 386.458 3.610 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423025501 847943994 /nfs/dbraw/zinc/94/39/94/847943994.db2.gz OMOCHELONDTCLM-PCMMCCAGSA-N 1 3 390.934 3.985 20 0 GHADHO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423030193 847945830 /nfs/dbraw/zinc/94/58/30/847945830.db2.gz JMTMCZFOUVKMMN-XFPJRNFQSA-N 1 3 392.469 3.752 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cccc(C3CC3)c2)cc1 ZINC000421340630 847961671 /nfs/dbraw/zinc/96/16/71/847961671.db2.gz IMMRPPDCDYVZHO-UHFFFAOYSA-N 1 3 377.532 3.679 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(F)c(C(F)(F)F)c3)cc2)C1 ZINC000657594474 848283826 /nfs/dbraw/zinc/28/38/26/848283826.db2.gz APDHKDUOYIDSCH-QGZVFWFLSA-N 1 3 382.401 3.701 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(F)c(C(F)(F)F)c3)cc2)C1 ZINC000657594474 848283832 /nfs/dbraw/zinc/28/38/32/848283832.db2.gz APDHKDUOYIDSCH-QGZVFWFLSA-N 1 3 382.401 3.701 20 0 GHADHO Cc1cc(Br)ccc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595309 848287211 /nfs/dbraw/zinc/28/72/11/848287211.db2.gz ONPMKQSJPIARRN-FQEVSTJZSA-N 1 3 389.337 3.614 20 0 GHADHO Cc1cc(Br)ccc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595309 848287222 /nfs/dbraw/zinc/28/72/22/848287222.db2.gz ONPMKQSJPIARRN-FQEVSTJZSA-N 1 3 389.337 3.614 20 0 GHADHO Cn1c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)nc2ccc(Cl)cc21 ZINC000657613546 848326194 /nfs/dbraw/zinc/32/61/94/848326194.db2.gz NGASUKXVDPDNQJ-UHFFFAOYSA-N 1 3 383.927 3.624 20 0 GHADHO CCCn1c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)nc2ccccc21 ZINC000657613325 848328216 /nfs/dbraw/zinc/32/82/16/848328216.db2.gz YKWFSGNBFVWFNS-UHFFFAOYSA-N 1 3 377.536 3.843 20 0 GHADHO COc1cc2cccnc2c(N(c2ccc(CN(C)C)cn2)[C@H](C)CCC[NH3+])c1 ZINC001167614574 848345251 /nfs/dbraw/zinc/34/52/51/848345251.db2.gz XQQNCKWMZAWNAZ-QGZVFWFLSA-N 1 3 393.535 3.966 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000548776827 848587214 /nfs/dbraw/zinc/58/72/14/848587214.db2.gz GFJHQEOIGDWHMO-IBGZPJMESA-N 1 3 386.609 3.892 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000548776827 848587223 /nfs/dbraw/zinc/58/72/23/848587223.db2.gz GFJHQEOIGDWHMO-IBGZPJMESA-N 1 3 386.609 3.892 20 0 GHADHO Cc1cc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC000555855786 862007049 /nfs/dbraw/zinc/00/70/49/862007049.db2.gz FIAUTYZTVUZDLS-UHFFFAOYSA-N 1 3 394.563 3.532 20 0 GHADHO COc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1OC ZINC000423135533 849769032 /nfs/dbraw/zinc/76/90/32/849769032.db2.gz YGWGDHIAXFRYRB-QUZZAMIASA-N 1 3 382.504 3.919 20 0 GHADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423378328 849892413 /nfs/dbraw/zinc/89/24/13/849892413.db2.gz FRKNKYJLWASICI-CZUORRHYSA-N 1 3 398.498 3.605 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423532833 849959301 /nfs/dbraw/zinc/95/93/01/849959301.db2.gz VYWBMFKVIQCACW-PUGNBPNRSA-N 1 3 375.944 3.800 20 0 GHADHO C[C@@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000423632876 850000415 /nfs/dbraw/zinc/00/04/15/850000415.db2.gz AIFYGHRMOQCHAM-OAHLLOKOSA-N 1 3 393.453 3.929 20 0 GHADHO CN(C)[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000514567349 850014078 /nfs/dbraw/zinc/01/40/78/850014078.db2.gz QCMSTADJXKUGTO-QHCPKHFHSA-N 1 3 394.563 3.775 20 0 GHADHO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000505616070 850134700 /nfs/dbraw/zinc/13/47/00/850134700.db2.gz ZYVBLBJTZAZDRX-WMZHIEFXSA-N 1 3 379.548 3.706 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000514817219 850343489 /nfs/dbraw/zinc/34/34/89/850343489.db2.gz AKNLONUXRLPXAX-ZILOHOTNSA-N 1 3 380.532 3.618 20 0 GHADHO CC(C)[NH+]1CCC(N[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000180403591 862122134 /nfs/dbraw/zinc/12/21/34/862122134.db2.gz FMDXUDDGNWCJCW-CQSZACIVSA-N 1 3 387.446 3.765 20 0 GHADHO COc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OCc1cccnc1 ZINC000435378552 850442155 /nfs/dbraw/zinc/44/21/55/850442155.db2.gz FBFWNIGSNZTZLJ-NRFANRHFSA-N 1 3 381.520 3.633 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 ZINC000414813783 850677942 /nfs/dbraw/zinc/67/79/42/850677942.db2.gz UNJFNQNKXWDZEJ-INIZCTEOSA-N 1 3 392.503 3.558 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000414827858 850813379 /nfs/dbraw/zinc/81/33/79/850813379.db2.gz KTOWTIBTGJPYPW-NWDGAFQWSA-N 1 3 377.838 3.665 20 0 GHADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167966142 850825980 /nfs/dbraw/zinc/82/59/80/850825980.db2.gz QTVMSFZPPCLMIH-VNVJMFPYSA-N 1 3 377.573 3.627 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000434355031 851026555 /nfs/dbraw/zinc/02/65/55/851026555.db2.gz LQYSLUFIBPWVQX-WTIAFYNJSA-N 1 3 398.595 3.698 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000434355031 851026570 /nfs/dbraw/zinc/02/65/70/851026570.db2.gz LQYSLUFIBPWVQX-WTIAFYNJSA-N 1 3 398.595 3.698 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000514124107 851288897 /nfs/dbraw/zinc/28/88/97/851288897.db2.gz YWKMMBBFZKWMOG-SJBKTWHCSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000514124107 851288908 /nfs/dbraw/zinc/28/89/08/851288908.db2.gz YWKMMBBFZKWMOG-SJBKTWHCSA-N 1 3 386.584 3.633 20 0 GHADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 ZINC000514227433 851426287 /nfs/dbraw/zinc/42/62/87/851426287.db2.gz ZVDUPEQEVKHKMW-LJQANCHMSA-N 1 3 380.602 3.552 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(N4CCOCC4)CCCCC3)CC2)C1 ZINC000531947948 851535210 /nfs/dbraw/zinc/53/52/10/851535210.db2.gz SGBZOKGPXFDKKX-IRLDBZIGSA-N 1 3 377.617 3.654 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000517427464 851949326 /nfs/dbraw/zinc/94/93/26/851949326.db2.gz ZLCYUYRGAGPSSJ-DHIUTWEWSA-N 1 3 398.595 3.792 20 0 GHADHO CCN(C(=O)NCCCCC[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000458852839 852056326 /nfs/dbraw/zinc/05/63/26/852056326.db2.gz OINDSJVSXIEXSN-QFIPXVFZSA-N 1 3 386.584 3.559 20 0 GHADHO COCC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000425953056 852071062 /nfs/dbraw/zinc/07/10/62/852071062.db2.gz RBBYRQNSKILKBS-DNVJHFABSA-N 1 3 386.580 3.710 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)cc4cccnc43)CC2)CC1 ZINC000516490490 852619792 /nfs/dbraw/zinc/61/97/92/852619792.db2.gz RNSIMOZUMCGHIV-UHFFFAOYSA-N 1 3 380.536 3.678 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490702957 853201718 /nfs/dbraw/zinc/20/17/18/853201718.db2.gz WAJMTPYMHVWOMV-BWKNWUBXSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490702957 853201725 /nfs/dbraw/zinc/20/17/25/853201725.db2.gz WAJMTPYMHVWOMV-BWKNWUBXSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490765439 853243271 /nfs/dbraw/zinc/24/32/71/853243271.db2.gz BBEZJPFKCKRGBJ-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490765439 853243282 /nfs/dbraw/zinc/24/32/82/853243282.db2.gz BBEZJPFKCKRGBJ-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000439191283 853393639 /nfs/dbraw/zinc/39/36/39/853393639.db2.gz MLCXHPHYQROPOD-OALUTQOASA-N 1 3 394.629 3.579 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623862377 862464982 /nfs/dbraw/zinc/46/49/82/862464982.db2.gz SDBNIURUVJAMIJ-SFTDATJTSA-N 1 3 379.589 3.846 20 0 GHADHO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766046128 862466775 /nfs/dbraw/zinc/46/67/75/862466775.db2.gz WVDMFQYYVJOTDA-CZUORRHYSA-N 1 3 376.513 3.700 20 0 GHADHO Cc1ccc(NC(=O)CC[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)nc1 ZINC000518520387 853463891 /nfs/dbraw/zinc/46/38/91/853463891.db2.gz KORUIBVWTAFEPB-NRFANRHFSA-N 1 3 380.536 3.611 20 0 GHADHO Cc1ccc(NC(=O)CCNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000518520387 853463894 /nfs/dbraw/zinc/46/38/94/853463894.db2.gz KORUIBVWTAFEPB-NRFANRHFSA-N 1 3 380.536 3.611 20 0 GHADHO Cc1ccc(NC(=O)CCNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000518520387 853463898 /nfs/dbraw/zinc/46/38/98/853463898.db2.gz KORUIBVWTAFEPB-NRFANRHFSA-N 1 3 380.536 3.611 20 0 GHADHO Cc1ccc(NC(=O)CC[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)nc1 ZINC000518520388 853464164 /nfs/dbraw/zinc/46/41/64/853464164.db2.gz KORUIBVWTAFEPB-OAQYLSRUSA-N 1 3 380.536 3.611 20 0 GHADHO Cc1ccc(NC(=O)CCNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000518520388 853464169 /nfs/dbraw/zinc/46/41/69/853464169.db2.gz KORUIBVWTAFEPB-OAQYLSRUSA-N 1 3 380.536 3.611 20 0 GHADHO Cc1ccc(NC(=O)CCNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000518520388 853464172 /nfs/dbraw/zinc/46/41/72/853464172.db2.gz KORUIBVWTAFEPB-OAQYLSRUSA-N 1 3 380.536 3.611 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@H](C(C)(C)C)CC3)CC2)CC1 ZINC000188177083 853819025 /nfs/dbraw/zinc/81/90/25/853819025.db2.gz JVVXELXDTPNDNU-OALUTQOASA-N 1 3 392.632 3.839 20 0 GHADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc(F)c(Br)cc1F ZINC000623903844 862506767 /nfs/dbraw/zinc/50/67/67/862506767.db2.gz PXPHCPCGQFFNPM-NEPJUHHUSA-N 1 3 379.289 3.735 20 0 GHADHO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994320 854436996 /nfs/dbraw/zinc/43/69/96/854436996.db2.gz BNMQJNUKVILPEZ-LYNUFONESA-N 1 3 381.564 3.515 20 0 GHADHO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994320 854436998 /nfs/dbraw/zinc/43/69/98/854436998.db2.gz BNMQJNUKVILPEZ-LYNUFONESA-N 1 3 381.564 3.515 20 0 GHADHO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979572 854635306 /nfs/dbraw/zinc/63/53/06/854635306.db2.gz ZKXUTIMGBXTZLS-MZKRTTBSSA-N 1 3 393.531 3.615 20 0 GHADHO COc1ccc([C@H]2C[C@@H](N3CCC([NH3+])(Cc4ccccc4)CC3)CCO2)cc1 ZINC001168618444 855127092 /nfs/dbraw/zinc/12/70/92/855127092.db2.gz SIVOEKKZMQNCBZ-JTHBVZDNSA-N 1 3 380.532 3.951 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@H](C)C1 ZINC000624106778 862658365 /nfs/dbraw/zinc/65/83/65/862658365.db2.gz OHMHODBQSMZSIE-LEOXJPRUSA-N 1 3 377.532 3.704 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@H](C)C1 ZINC000624106781 862658543 /nfs/dbraw/zinc/65/85/43/862658543.db2.gz OHMHODBQSMZSIE-YFXJRYMSSA-N 1 3 377.532 3.704 20 0 GHADHO CN(CCCO)C1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000604998670 862684327 /nfs/dbraw/zinc/68/43/27/862684327.db2.gz QBMPXBWDLRFLTO-GORDUTHDSA-N 1 3 381.358 3.631 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674015773 862695799 /nfs/dbraw/zinc/69/57/99/862695799.db2.gz MOHRYPUTYLPKPB-RBBKRZOGSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674015773 862695804 /nfs/dbraw/zinc/69/58/04/862695804.db2.gz MOHRYPUTYLPKPB-RBBKRZOGSA-N 1 3 383.580 3.764 20 0 GHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCCO2 ZINC000180997315 862711452 /nfs/dbraw/zinc/71/14/52/862711452.db2.gz XAZJFCHLASEHMY-QFIPXVFZSA-N 1 3 395.547 3.598 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000591580475 856162514 /nfs/dbraw/zinc/16/25/14/856162514.db2.gz BWUZFWNTLRQAOP-UNMCSNQZSA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000591580475 856162522 /nfs/dbraw/zinc/16/25/22/856162522.db2.gz BWUZFWNTLRQAOP-UNMCSNQZSA-N 1 3 386.584 3.552 20 0 GHADHO C[C@H](NCc1cc(Cl)ccc1I)C1CC[NH+](C)CC1 ZINC000405463263 856253882 /nfs/dbraw/zinc/25/38/82/856253882.db2.gz RUMAIDHYZCHYMV-NSHDSACASA-N 1 3 392.712 3.765 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485302010 856334103 /nfs/dbraw/zinc/33/41/03/856334103.db2.gz KWBVVYPBZGMNQI-UHFFFAOYSA-N 1 3 386.584 3.687 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485302010 856334112 /nfs/dbraw/zinc/33/41/12/856334112.db2.gz KWBVVYPBZGMNQI-UHFFFAOYSA-N 1 3 386.584 3.687 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000187023387 856395455 /nfs/dbraw/zinc/39/54/55/856395455.db2.gz OOKCLKMBYXCODO-UTKZUKDTSA-N 1 3 386.536 3.636 20 0 GHADHO COc1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc(OC)c1O ZINC000573726097 856454942 /nfs/dbraw/zinc/45/49/42/856454942.db2.gz HADNOMDUEYOKRV-UHFFFAOYSA-N 1 3 384.520 3.753 20 0 GHADHO COc1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc(OC)c1O ZINC000573726097 856454951 /nfs/dbraw/zinc/45/49/51/856454951.db2.gz HADNOMDUEYOKRV-UHFFFAOYSA-N 1 3 384.520 3.753 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000427888012 856846736 /nfs/dbraw/zinc/84/67/36/856846736.db2.gz CIKVEPLQKAECMQ-NHTMILBNSA-N 1 3 387.612 3.768 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCOc3ccc(OCC)cc32)[C@H](C)C1 ZINC000675885256 857660397 /nfs/dbraw/zinc/66/03/97/857660397.db2.gz NEAUCYIHKHAVLR-JRGCBEDISA-N 1 3 376.541 3.636 20 0 GHADHO C[C@@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000675921659 857666146 /nfs/dbraw/zinc/66/61/46/857666146.db2.gz MQERUKZGCRMRMR-XXBNENTESA-N 1 3 392.547 3.995 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)N2CCCC2)cc1 ZINC000064237669 857688289 /nfs/dbraw/zinc/68/82/89/857688289.db2.gz ODPAOGSYOJHXDM-JOCHJYFZSA-N 1 3 386.584 3.744 20 0 GHADHO Cc1c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cnn1-c1cccc(Cl)c1 ZINC000442874874 858190508 /nfs/dbraw/zinc/19/05/08/858190508.db2.gz RIOLVURFUWMPHN-MRXNPFEDSA-N 1 3 389.975 3.511 20 0 GHADHO C[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000443098767 858377578 /nfs/dbraw/zinc/37/75/78/858377578.db2.gz YPOCIQAKRMEXOP-PGRDOPGGSA-N 1 3 387.568 3.601 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000067361222 858539687 /nfs/dbraw/zinc/53/96/87/858539687.db2.gz DDHQHBCIVMYNQJ-QHCPKHFHSA-N 1 3 391.559 3.924 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000067361222 858539689 /nfs/dbraw/zinc/53/96/89/858539689.db2.gz DDHQHBCIVMYNQJ-QHCPKHFHSA-N 1 3 391.559 3.924 20 0 GHADHO C[C@@H]1CC([NH2+][C@@H]2CCc3ccccc3NC2=O)C[C@@H](C)N1Cc1ccccc1 ZINC001168019414 858777436 /nfs/dbraw/zinc/77/74/36/858777436.db2.gz IWAGNXKPYGYCSU-PMAPCBKXSA-N 1 3 377.532 3.971 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000482861536 858925499 /nfs/dbraw/zinc/92/54/99/858925499.db2.gz CKQRCMSYJTWXBD-HXUWFJFHSA-N 1 3 377.960 3.640 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(CCCN3CCN(c4ccccc4)CC3)C2)CC1 ZINC000509297380 858980715 /nfs/dbraw/zinc/98/07/15/858980715.db2.gz ZDFVUJDWIPBLBC-XMMPIXPASA-N 1 3 398.639 3.643 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000443670264 859263070 /nfs/dbraw/zinc/26/30/70/859263070.db2.gz SLZJZFZIMLACAH-BGYRXZFFSA-N 1 3 389.584 3.536 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000443670264 859263083 /nfs/dbraw/zinc/26/30/83/859263083.db2.gz SLZJZFZIMLACAH-BGYRXZFFSA-N 1 3 389.584 3.536 20 0 GHADHO OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@@H]1c1ccc(F)cc1 ZINC000429418331 859318707 /nfs/dbraw/zinc/31/87/07/859318707.db2.gz NHIYJRJUFONSRK-KUEHFBCJSA-N 1 3 394.534 3.792 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558549 881424560 /nfs/dbraw/zinc/42/45/60/881424560.db2.gz JMKLUAQQSKAQRO-DENIHFKCSA-N 1 3 395.547 3.941 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558549 881424571 /nfs/dbraw/zinc/42/45/71/881424571.db2.gz JMKLUAQQSKAQRO-DENIHFKCSA-N 1 3 395.547 3.941 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735917 859575217 /nfs/dbraw/zinc/57/52/17/859575217.db2.gz YXHKACWOMRZXOZ-GBXCKJPGSA-N 1 3 377.576 3.586 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C[C@@H]1C ZINC000483761009 859595578 /nfs/dbraw/zinc/59/55/78/859595578.db2.gz PZWCNGXZQUHNNT-BVSLBCMMSA-N 1 3 386.584 3.646 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C[C@@H]1C ZINC000483761009 859595587 /nfs/dbraw/zinc/59/55/87/859595587.db2.gz PZWCNGXZQUHNNT-BVSLBCMMSA-N 1 3 386.584 3.646 20 0 GHADHO COCCN(Cc1sccc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000895691305 859804692 /nfs/dbraw/zinc/80/46/92/859804692.db2.gz FNCJTVBDGSYJAU-UHFFFAOYSA-N 1 3 397.585 3.885 20 0 GHADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCO1 ZINC000856561777 881468867 /nfs/dbraw/zinc/46/88/67/881468867.db2.gz YVQLWBBOLADGOX-SYYKKAFVSA-N 1 3 375.557 3.580 20 0 GHADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCO1 ZINC000856561777 881468872 /nfs/dbraw/zinc/46/88/72/881468872.db2.gz YVQLWBBOLADGOX-SYYKKAFVSA-N 1 3 375.557 3.580 20 0 GHADHO CN(c1ccccc1CNCc1c[nH]c(=O)c2ccccc12)C1CC[NH+](C)CC1 ZINC000922493507 860089530 /nfs/dbraw/zinc/08/95/30/860089530.db2.gz KDWLTYMAROQNCH-UHFFFAOYSA-N 1 3 390.531 3.761 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccccc3-c3ccnn3C)CC2)C[C@@H](C)O1 ZINC000508961252 860284030 /nfs/dbraw/zinc/28/40/30/860284030.db2.gz ADSMQKZECVUWJO-WOJBJXKFSA-N 1 3 396.579 3.798 20 0 GHADHO Cc1sc([C@H](C)NC2CCN(CC[NH3+])CC2)nc1-c1ccc(Cl)cc1 ZINC000904363514 860383343 /nfs/dbraw/zinc/38/33/43/860383343.db2.gz HDTYWCTYJIRKRL-ZDUSSCGKSA-N 1 3 378.973 3.846 20 0 GHADHO Cc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2cnn(C)c2)c1 ZINC000904470956 860463277 /nfs/dbraw/zinc/46/32/77/860463277.db2.gz DKKHNJTYIHSJOR-LADGPHEKSA-N 1 3 388.515 3.741 20 0 GHADHO Cc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2cnn(C)c2)c1 ZINC000904470955 860463456 /nfs/dbraw/zinc/46/34/56/860463456.db2.gz DKKHNJTYIHSJOR-ISKFKSNPSA-N 1 3 388.515 3.741 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000116436064 860625547 /nfs/dbraw/zinc/62/55/47/860625547.db2.gz LTEWZWRPVBXJHQ-XXBNENTESA-N 1 3 394.563 3.814 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856599188 881573389 /nfs/dbraw/zinc/57/33/89/881573389.db2.gz GLBIOANUAXUBQJ-FQEVSTJZSA-N 1 3 389.490 3.896 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856599188 881573399 /nfs/dbraw/zinc/57/33/99/881573399.db2.gz GLBIOANUAXUBQJ-FQEVSTJZSA-N 1 3 389.490 3.896 20 0 GHADHO Cc1ccc([C@@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000182348110 863197607 /nfs/dbraw/zinc/19/76/07/863197607.db2.gz BUOHBEGNXTYAKU-HXUWFJFHSA-N 1 3 379.548 3.735 20 0 GHADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000281585790 863268349 /nfs/dbraw/zinc/26/83/49/863268349.db2.gz LLLLEBQYBVPKJU-KNQAVFIVSA-N 1 3 384.495 3.568 20 0 GHADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000281585790 863268364 /nfs/dbraw/zinc/26/83/64/863268364.db2.gz LLLLEBQYBVPKJU-KNQAVFIVSA-N 1 3 384.495 3.568 20 0 GHADHO C[C@@H](CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000182656208 863318496 /nfs/dbraw/zinc/31/84/96/863318496.db2.gz CYLYNCMRWTUSIS-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO CC1CC[NH+](CCCCNC(=O)N(CCN(C)C)CC2CCCCC2)CC1 ZINC000606640006 863742216 /nfs/dbraw/zinc/74/22/16/863742216.db2.gz BHDYMWDTWUNIOH-UHFFFAOYSA-N 1 3 380.621 3.652 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000606640335 863742589 /nfs/dbraw/zinc/74/25/89/863742589.db2.gz SXOQTMWFBMYUIR-FQEVSTJZSA-N 1 3 380.621 3.652 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000606640335 863742594 /nfs/dbraw/zinc/74/25/94/863742594.db2.gz SXOQTMWFBMYUIR-FQEVSTJZSA-N 1 3 380.621 3.652 20 0 GHADHO CCOC(=O)c1cccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898519765 864080688 /nfs/dbraw/zinc/08/06/88/864080688.db2.gz RAFFTQXMYCJUKR-QHAWAJNXSA-N 1 3 393.531 3.649 20 0 GHADHO CCOC(=O)c1cccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898519765 864080704 /nfs/dbraw/zinc/08/07/04/864080704.db2.gz RAFFTQXMYCJUKR-QHAWAJNXSA-N 1 3 393.531 3.649 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000475127671 864266717 /nfs/dbraw/zinc/26/67/17/864266717.db2.gz DHNJGMSBCABKMR-XZOQPEGZSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000475127671 864266730 /nfs/dbraw/zinc/26/67/30/864266730.db2.gz DHNJGMSBCABKMR-XZOQPEGZSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1csc(N2CCC([NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)CC2)n1 ZINC000165299739 864660609 /nfs/dbraw/zinc/66/06/09/864660609.db2.gz IQFMBJMDEPIMKL-FQEVSTJZSA-N 1 3 384.593 3.575 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166240867 864726014 /nfs/dbraw/zinc/72/60/14/864726014.db2.gz BEFGOYFUNMGGTM-UKILVPOCSA-N 1 3 393.575 3.692 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(-n2cncn2)cc1Cl ZINC000120937783 881809146 /nfs/dbraw/zinc/80/91/46/881809146.db2.gz SRGMEXWVLDCLJN-CQSZACIVSA-N 1 3 387.890 3.972 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001170423373 881836990 /nfs/dbraw/zinc/83/69/90/881836990.db2.gz DXTIEURHGWLTGE-NRFANRHFSA-N 1 3 381.520 3.633 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685441 865554216 /nfs/dbraw/zinc/55/42/16/865554216.db2.gz SCHLSDWQHPDJQY-UNMCSNQZSA-N 1 3 386.584 3.587 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685441 865554219 /nfs/dbraw/zinc/55/42/19/865554219.db2.gz SCHLSDWQHPDJQY-UNMCSNQZSA-N 1 3 386.584 3.587 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187417 865953248 /nfs/dbraw/zinc/95/32/48/865953248.db2.gz JIUUBVNPWUFVNB-WZONZLPQSA-N 1 3 377.532 3.614 20 0 GHADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(CN4CCCC4)c3)C2)CC1 ZINC000623093637 866012752 /nfs/dbraw/zinc/01/27/52/866012752.db2.gz AVLFJXLUQGKGGS-JOCHJYFZSA-N 1 3 383.580 3.867 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000552843849 866338056 /nfs/dbraw/zinc/33/80/56/866338056.db2.gz IIDIOKPDZIGJAL-UHFFFAOYSA-N 1 3 397.607 3.664 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3cccs3)CC2)CC1 ZINC000552876604 866413704 /nfs/dbraw/zinc/41/37/04/866413704.db2.gz YNZVAGLUNQRNOK-LJQANCHMSA-N 1 3 375.582 3.608 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000478750752 866588526 /nfs/dbraw/zinc/58/85/26/866588526.db2.gz OQSLTLSQPUMROI-RXVVDRJESA-N 1 3 398.551 3.804 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001170427957 882020636 /nfs/dbraw/zinc/02/06/36/882020636.db2.gz CRAPLILLIBCHJA-FQEVSTJZSA-N 1 3 396.531 3.781 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCCC[C@H]3c3ccco3)CC2)CC1 ZINC000553163205 866930220 /nfs/dbraw/zinc/93/02/20/866930220.db2.gz JNHDHWHHJHJZPY-NRFANRHFSA-N 1 3 387.568 3.920 20 0 GHADHO COCCC[NH+]1CCC(N[C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479053410 867104638 /nfs/dbraw/zinc/10/46/38/867104638.db2.gz FENXIYXIOSPLEQ-IBGZPJMESA-N 1 3 381.358 3.917 20 0 GHADHO COc1c(Br)cccc1CNCc1ccc(C[NH+](C)C)c(F)c1 ZINC000479462093 867806082 /nfs/dbraw/zinc/80/60/82/867806082.db2.gz FDLJEKJJODTFGB-UHFFFAOYSA-N 1 3 381.289 3.948 20 0 GHADHO C[C@H](Cc1ccccc1Cl)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000156561424 868399784 /nfs/dbraw/zinc/39/97/84/868399784.db2.gz VBHPIWKVCTZMLQ-GOSISDBHSA-N 1 3 391.987 3.585 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000156596070 868411085 /nfs/dbraw/zinc/41/10/85/868411085.db2.gz IVHUKNFUQBAXQJ-RPWUZVMVSA-N 1 3 391.559 3.875 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000156596070 868411091 /nfs/dbraw/zinc/41/10/91/868411091.db2.gz IVHUKNFUQBAXQJ-RPWUZVMVSA-N 1 3 391.559 3.875 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN(CCC[NH3+])Cc1ccccc1 ZINC000479764718 868488301 /nfs/dbraw/zinc/48/83/01/868488301.db2.gz BADTUOIRGROOJE-UHFFFAOYSA-N 1 3 375.900 3.528 20 0 GHADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156978693 868519020 /nfs/dbraw/zinc/51/90/20/868519020.db2.gz UAJXDLSVQIVECM-CGYQNGNCSA-N 1 3 395.522 3.546 20 0 GHADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156978693 868519033 /nfs/dbraw/zinc/51/90/33/868519033.db2.gz UAJXDLSVQIVECM-CGYQNGNCSA-N 1 3 395.522 3.546 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000121653731 882199649 /nfs/dbraw/zinc/19/96/49/882199649.db2.gz ZQFNERCUSCTQBK-LJQANCHMSA-N 1 3 390.535 3.889 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000554086757 868728139 /nfs/dbraw/zinc/72/81/39/868728139.db2.gz PJEGWIBKXPATCP-SQXWHWBNSA-N 1 3 384.951 3.916 20 0 GHADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000554086757 868728145 /nfs/dbraw/zinc/72/81/45/868728145.db2.gz PJEGWIBKXPATCP-SQXWHWBNSA-N 1 3 384.951 3.916 20 0 GHADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000554086757 868728148 /nfs/dbraw/zinc/72/81/48/868728148.db2.gz PJEGWIBKXPATCP-SQXWHWBNSA-N 1 3 384.951 3.916 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000539495802 869247500 /nfs/dbraw/zinc/24/75/00/869247500.db2.gz FHIHGJKFDVOTQL-IBGZPJMESA-N 1 3 395.547 3.627 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446258121 869618789 /nfs/dbraw/zinc/61/87/89/869618789.db2.gz DJCRHGDLEJMXBH-UGTJMOTHSA-N 1 3 385.552 3.532 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446258121 869618793 /nfs/dbraw/zinc/61/87/93/869618793.db2.gz DJCRHGDLEJMXBH-UGTJMOTHSA-N 1 3 385.552 3.532 20 0 GHADHO CCN1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000525245658 870212791 /nfs/dbraw/zinc/21/27/91/870212791.db2.gz ASDYVUYCWOFJIM-LLVKDONJSA-N 1 3 377.838 3.760 20 0 GHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000248176787 870310854 /nfs/dbraw/zinc/31/08/54/870310854.db2.gz VSPNSWCSFBDMOW-SIKLNZKXSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000248176787 870310870 /nfs/dbraw/zinc/31/08/70/870310870.db2.gz VSPNSWCSFBDMOW-SIKLNZKXSA-N 1 3 379.548 3.852 20 0 GHADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408751 870385599 /nfs/dbraw/zinc/38/55/99/870385599.db2.gz VVNSHAXJVRPLBI-IEIRFRATSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408751 870385624 /nfs/dbraw/zinc/38/56/24/870385624.db2.gz VVNSHAXJVRPLBI-IEIRFRATSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(Br)cs1 ZINC000248723819 870609021 /nfs/dbraw/zinc/60/90/21/870609021.db2.gz HAOLMBULBTVGAE-SUMWQHHRSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Br)cs1 ZINC000248723819 870609025 /nfs/dbraw/zinc/60/90/25/870609025.db2.gz HAOLMBULBTVGAE-SUMWQHHRSA-N 1 3 395.366 3.928 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000508867376 870638181 /nfs/dbraw/zinc/63/81/81/870638181.db2.gz COCSLGDEASAGJE-NEOGFGCTSA-N 1 3 386.540 3.699 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000463007701 870654499 /nfs/dbraw/zinc/65/44/99/870654499.db2.gz GWBLBEHTHQCHFN-CVDCTZTESA-N 1 3 398.595 3.603 20 0 GHADHO CC(C)[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000540261616 870866986 /nfs/dbraw/zinc/86/69/86/870866986.db2.gz KNNXFGCQDWNTOY-DEOSSOPVSA-N 1 3 380.580 3.966 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000538983458 871047595 /nfs/dbraw/zinc/04/75/95/871047595.db2.gz AJMBWYKVIFGLDI-LAUBAEHRSA-N 1 3 389.515 3.750 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000538983458 871047619 /nfs/dbraw/zinc/04/76/19/871047619.db2.gz AJMBWYKVIFGLDI-LAUBAEHRSA-N 1 3 389.515 3.750 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccccc3F)C(C)C)CC2)CC1 ZINC000617994723 871106496 /nfs/dbraw/zinc/10/64/96/871106496.db2.gz RLLDWCDCUUEGAS-JOCHJYFZSA-N 1 3 389.559 3.835 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)c2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000539056379 871191409 /nfs/dbraw/zinc/19/14/09/871191409.db2.gz JGKZFRGZILMRFI-NSHGMRRFSA-N 1 3 386.540 3.567 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)c2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000539056379 871191416 /nfs/dbraw/zinc/19/14/16/871191416.db2.gz JGKZFRGZILMRFI-NSHGMRRFSA-N 1 3 386.540 3.567 20 0 GHADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000539063543 871209462 /nfs/dbraw/zinc/20/94/62/871209462.db2.gz KNNHULGLEDUSEI-UFYCRDLUSA-N 1 3 378.944 3.830 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120230 871209769 /nfs/dbraw/zinc/20/97/69/871209769.db2.gz ZUGIAVBGXNQNEO-YCSHWKNNSA-N 1 3 380.532 3.688 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120230 871209784 /nfs/dbraw/zinc/20/97/84/871209784.db2.gz ZUGIAVBGXNQNEO-YCSHWKNNSA-N 1 3 380.532 3.688 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(c3cccc(Br)c3)CCOCC1)C2 ZINC001169109585 871234429 /nfs/dbraw/zinc/23/44/29/871234429.db2.gz DYRVNBRCAACOCO-BCDXTJNWSA-N 1 3 379.342 3.670 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(c3cccc(Br)c3)CCOCC1)C2 ZINC001169109585 871234450 /nfs/dbraw/zinc/23/44/50/871234450.db2.gz DYRVNBRCAACOCO-BCDXTJNWSA-N 1 3 379.342 3.670 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463277309 871313590 /nfs/dbraw/zinc/31/35/90/871313590.db2.gz CQDDTYSMIFVXKJ-OUFMZXHOSA-N 1 3 382.552 3.766 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463277309 871313610 /nfs/dbraw/zinc/31/36/10/871313610.db2.gz CQDDTYSMIFVXKJ-OUFMZXHOSA-N 1 3 382.552 3.766 20 0 GHADHO CC(=O)N1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001169589959 871650664 /nfs/dbraw/zinc/65/06/64/871650664.db2.gz WHCNBRWOVORNJD-SDHOMARFSA-N 1 3 391.559 3.645 20 0 GHADHO CC(=O)N1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001169589959 871650674 /nfs/dbraw/zinc/65/06/74/871650674.db2.gz WHCNBRWOVORNJD-SDHOMARFSA-N 1 3 391.559 3.645 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1)N(C)C ZINC000539319857 871683092 /nfs/dbraw/zinc/68/30/92/871683092.db2.gz JSPRRVGKIYJIBJ-FCHUYYIVSA-N 1 3 389.584 3.991 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1)N(C)C ZINC000539319857 871683110 /nfs/dbraw/zinc/68/31/10/871683110.db2.gz JSPRRVGKIYJIBJ-FCHUYYIVSA-N 1 3 389.584 3.991 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](N[C@H]1COc3cc(F)ccc3C1)c1ccccc1O2 ZINC000572542577 871689867 /nfs/dbraw/zinc/68/98/67/871689867.db2.gz FZCAETOSPFJHGO-UYAOXDASSA-N 1 3 382.479 3.707 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+][C@H]1COc3cc(F)ccc3C1)c1ccccc1O2 ZINC000572542577 871689874 /nfs/dbraw/zinc/68/98/74/871689874.db2.gz FZCAETOSPFJHGO-UYAOXDASSA-N 1 3 382.479 3.707 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000618537134 871705022 /nfs/dbraw/zinc/70/50/22/871705022.db2.gz GKSNRBCFEWFMRS-UHFFFAOYSA-N 1 3 398.378 3.806 20 0 GHADHO C[N@H+](CCc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1)C1CC1 ZINC000539332402 871714275 /nfs/dbraw/zinc/71/42/75/871714275.db2.gz STIJMUYTWDWLEH-OAQYLSRUSA-N 1 3 392.547 3.569 20 0 GHADHO C[N@@H+](CCc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1)C1CC1 ZINC000539332402 871714293 /nfs/dbraw/zinc/71/42/93/871714293.db2.gz STIJMUYTWDWLEH-OAQYLSRUSA-N 1 3 392.547 3.569 20 0 GHADHO CCOC(=O)N1CCC[C@@H](N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)CC1 ZINC001169681841 871750267 /nfs/dbraw/zinc/75/02/67/871750267.db2.gz KJNZZVWQJSIEAF-LJQANCHMSA-N 1 3 396.535 3.676 20 0 GHADHO COC(=O)c1coc([C@H](C)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000447531358 871789496 /nfs/dbraw/zinc/78/94/96/871789496.db2.gz PMINTMTXSKKPAF-INIZCTEOSA-N 1 3 386.492 3.638 20 0 GHADHO O=C1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1c1ccccc1 ZINC000447561239 871867072 /nfs/dbraw/zinc/86/70/72/871867072.db2.gz GZXUUHYJEZEJMO-BAMDZGJYSA-N 1 3 375.516 3.577 20 0 GHADHO CN(C)[C@@H]1CCOc2c(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cccc21 ZINC000447721432 872210933 /nfs/dbraw/zinc/21/09/33/872210933.db2.gz FYIOMHBQCHSOLO-OAQYLSRUSA-N 1 3 379.504 3.920 20 0 GHADHO CN1CC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000552275968 872372526 /nfs/dbraw/zinc/37/25/26/872372526.db2.gz GOQUELIGGUXKNU-AEGPPILISA-N 1 3 377.838 3.595 20 0 GHADHO C[N@@H+]1CC[C@H](NCCOc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000552275968 872372546 /nfs/dbraw/zinc/37/25/46/872372546.db2.gz GOQUELIGGUXKNU-AEGPPILISA-N 1 3 377.838 3.595 20 0 GHADHO C[N@H+]1CC[C@H](NCCOc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000552275968 872372564 /nfs/dbraw/zinc/37/25/64/872372564.db2.gz GOQUELIGGUXKNU-AEGPPILISA-N 1 3 377.838 3.595 20 0 GHADHO CCN(Cc1ccc(-n2cncn2)c(C)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818724 872440034 /nfs/dbraw/zinc/44/00/34/872440034.db2.gz DMUCIMJERYNKJM-QHCPKHFHSA-N 1 3 389.547 3.920 20 0 GHADHO CCN(Cc1ccc(-n2cncn2)c(C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818724 872440041 /nfs/dbraw/zinc/44/00/41/872440041.db2.gz DMUCIMJERYNKJM-QHCPKHFHSA-N 1 3 389.547 3.920 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)ccc1OC ZINC000182492948 872451252 /nfs/dbraw/zinc/45/12/52/872451252.db2.gz DBPQNZKKUAXKEB-GHTZIAJQSA-N 1 3 397.567 3.647 20 0 GHADHO Cc1ccc(CCC[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cn1 ZINC000552363030 872520161 /nfs/dbraw/zinc/52/01/61/872520161.db2.gz XPIMKDSWWXIRJJ-DEOSSOPVSA-N 1 3 393.575 3.841 20 0 GHADHO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000191984176 882693200 /nfs/dbraw/zinc/69/32/00/882693200.db2.gz VTLWTLLHMJJVQN-WOJBJXKFSA-N 1 3 382.552 3.502 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCOC1 ZINC000153077650 873171898 /nfs/dbraw/zinc/17/18/98/873171898.db2.gz HIWHZLDJCRZLLN-ROUUACIJSA-N 1 3 399.501 3.622 20 0 GHADHO COc1cc(Cl)c(C)cc1NC(=O)CN(CC(C)C)CC1CC[NH+](C)CC1 ZINC001197194947 873645738 /nfs/dbraw/zinc/64/57/38/873645738.db2.gz ZMNZQTZGBLOMSS-UHFFFAOYSA-N 1 3 395.975 3.895 20 0 GHADHO Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000550881746 882760750 /nfs/dbraw/zinc/76/07/50/882760750.db2.gz CGPPVZXKUCYRNE-NFBKMPQASA-N 1 3 379.548 3.969 20 0 GHADHO C[NH+](C)CCCC1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000769497944 874104675 /nfs/dbraw/zinc/10/46/75/874104675.db2.gz HURCVBWRORZXGQ-UHFFFAOYSA-N 1 3 396.579 3.625 20 0 GHADHO C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449180281 874573547 /nfs/dbraw/zinc/57/35/47/874573547.db2.gz ZKNAFUHOXNDVPU-QGZVFWFLSA-N 1 3 378.582 3.580 20 0 GHADHO CC(C)OCCN1CCC([NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449180840 874573829 /nfs/dbraw/zinc/57/38/29/874573829.db2.gz CKPONJLBBZJBBP-NRFANRHFSA-N 1 3 387.612 3.561 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCOCC(F)(F)C(F)F)CC1 ZINC000449280513 874665233 /nfs/dbraw/zinc/66/52/33/874665233.db2.gz ATZPPAFZBUBJHM-OAHLLOKOSA-N 1 3 376.438 3.589 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3cnc4c(cnn4C)c3)cc2)C1 ZINC001199320857 874923942 /nfs/dbraw/zinc/92/39/42/874923942.db2.gz RFXGPLIDZDWKBJ-QZTJIDSGSA-N 1 3 377.536 3.736 20 0 GHADHO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000449597747 875101364 /nfs/dbraw/zinc/10/13/64/875101364.db2.gz ZTFDOJTZDQIYBM-AREVGRJGSA-N 1 3 394.563 3.531 20 0 GHADHO Cc1nn(C)c2nc(Cl)c(CNCC3CC[NH+](CCC(C)C)CC3)cc12 ZINC001200872104 875373349 /nfs/dbraw/zinc/37/33/49/875373349.db2.gz ISPZDDZCUVGQDT-UHFFFAOYSA-N 1 3 377.964 3.778 20 0 GHADHO C[C@H](CC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)N(C)Cc1ccccc1 ZINC001200942508 875429799 /nfs/dbraw/zinc/42/97/99/875429799.db2.gz TTXKQNWQDFNUGP-QGZVFWFLSA-N 1 3 392.503 3.806 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(-n3ccnc3)cc2)CC1 ZINC000151746276 875873346 /nfs/dbraw/zinc/87/33/46/875873346.db2.gz CUEZCHCGOSAJJO-UHFFFAOYSA-N 1 3 389.547 3.694 20 0 GHADHO CC(=O)N(C)c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000858251564 882978308 /nfs/dbraw/zinc/97/83/08/882978308.db2.gz SICABIGTNYTSNZ-QFIPXVFZSA-N 1 3 377.532 3.956 20 0 GHADHO CC(=O)N(C)c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000858251564 882978316 /nfs/dbraw/zinc/97/83/16/882978316.db2.gz SICABIGTNYTSNZ-QFIPXVFZSA-N 1 3 377.532 3.956 20 0 GHADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H]3NCc4ccccc43)cc2F)CC1 ZINC000851630189 877842931 /nfs/dbraw/zinc/84/29/31/877842931.db2.gz IMHVIDAGSLXUDL-OAQYLSRUSA-N 1 3 396.510 3.529 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CN[C@H]3CCC(=O)Nc4ccccc43)cc2)CC1 ZINC000551814495 877880971 /nfs/dbraw/zinc/88/09/71/877880971.db2.gz QSAHKWVILHKKDC-NRFANRHFSA-N 1 3 379.504 3.723 20 0 GHADHO CC[N@H+](CCCC(=O)Nc1cnccc1N(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC001183148967 912307437 /nfs/dbraw/zinc/30/74/37/912307437.db2.gz MXZHVMRXVTVGBH-GOSISDBHSA-N 1 3 398.551 3.828 20 0 GHADHO CC[N@@H+](CCCC(=O)Nc1cnccc1N(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC001183148967 912307462 /nfs/dbraw/zinc/30/74/62/912307462.db2.gz MXZHVMRXVTVGBH-GOSISDBHSA-N 1 3 398.551 3.828 20 0 GHADHO CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000788493954 878102342 /nfs/dbraw/zinc/10/23/42/878102342.db2.gz KTPCAXDGVXIDML-OAQYLSRUSA-N 1 3 387.568 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001183186978 912338174 /nfs/dbraw/zinc/33/81/74/912338174.db2.gz CRWOEVDSAXIAKX-SFHLNBCPSA-N 1 3 385.552 3.954 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001183186978 912338193 /nfs/dbraw/zinc/33/81/93/912338193.db2.gz CRWOEVDSAXIAKX-SFHLNBCPSA-N 1 3 385.552 3.954 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000616083471 878486640 /nfs/dbraw/zinc/48/66/40/878486640.db2.gz SXCZVUJRJBDMLS-LJQANCHMSA-N 1 3 392.563 3.554 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000616083471 878486652 /nfs/dbraw/zinc/48/66/52/878486652.db2.gz SXCZVUJRJBDMLS-LJQANCHMSA-N 1 3 392.563 3.554 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245779751 878587318 /nfs/dbraw/zinc/58/73/18/878587318.db2.gz YRASGOSXZZIXIR-NEWJYFPISA-N 1 3 395.591 3.953 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245779751 878587332 /nfs/dbraw/zinc/58/73/32/878587332.db2.gz YRASGOSXZZIXIR-NEWJYFPISA-N 1 3 395.591 3.953 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001183282657 912392726 /nfs/dbraw/zinc/39/27/26/912392726.db2.gz WEPFNOUEKDTGOD-QUCCMNQESA-N 1 3 389.584 3.895 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000178693688 879186895 /nfs/dbraw/zinc/18/68/95/879186895.db2.gz SBFQDWUVJCFRGO-LSDHHAIUSA-N 1 3 386.353 3.512 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000246279981 879334365 /nfs/dbraw/zinc/33/43/65/879334365.db2.gz BLOQOCVBOWANAF-ZOCIIQOWSA-N 1 3 381.358 3.868 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000538393715 879411330 /nfs/dbraw/zinc/41/13/30/879411330.db2.gz QLXBOBFQSFQQAA-FQEVSTJZSA-N 1 3 377.548 3.835 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)s1 ZINC000246366372 879468411 /nfs/dbraw/zinc/46/84/11/879468411.db2.gz IXNMDXMIJKYECO-NWANDNLSSA-N 1 3 387.387 3.929 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H]1C ZINC000531378332 879690727 /nfs/dbraw/zinc/69/07/27/879690727.db2.gz BFCKNAXZCMUBCE-UFYCRDLUSA-N 1 3 379.548 3.960 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H]1C ZINC000531378332 879690730 /nfs/dbraw/zinc/69/07/30/879690730.db2.gz BFCKNAXZCMUBCE-UFYCRDLUSA-N 1 3 379.548 3.960 20 0 GHADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c2c(F)cccc2Cl)CCO1 ZINC000246982136 879871101 /nfs/dbraw/zinc/87/11/01/879871101.db2.gz JTQVFMMHSYZXAC-RHVZCBDQSA-N 1 3 397.966 3.559 20 0 GHADHO C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)CN1CCCCC1 ZINC000531684167 880315127 /nfs/dbraw/zinc/31/51/27/880315127.db2.gz LYHWYIVJHLSGLG-MSOLQXFVSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000531684167 880315133 /nfs/dbraw/zinc/31/51/33/880315133.db2.gz LYHWYIVJHLSGLG-MSOLQXFVSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000531684667 880316214 /nfs/dbraw/zinc/31/62/14/880316214.db2.gz CVMJJWQJASTOAF-ZWKOTPCHSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H](C)C[NH+]1CCCCC1 ZINC000531684667 880316226 /nfs/dbraw/zinc/31/62/26/880316226.db2.gz CVMJJWQJASTOAF-ZWKOTPCHSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531705593 880333171 /nfs/dbraw/zinc/33/31/71/880333171.db2.gz PGGYYVUATCEGOJ-ICSRJNTNSA-N 1 3 377.532 3.787 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531705594 880333277 /nfs/dbraw/zinc/33/32/77/880333277.db2.gz PGGYYVUATCEGOJ-QUCCMNQESA-N 1 3 377.532 3.787 20 0 GHADHO COCCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453084287 880441476 /nfs/dbraw/zinc/44/14/76/880441476.db2.gz DJHQSDMMSAKAPG-RBZQAINGSA-N 1 3 385.596 3.520 20 0 GHADHO CCCCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OCC ZINC000532015853 880925721 /nfs/dbraw/zinc/92/57/21/880925721.db2.gz APHFHKREFVCHFS-NHCUHLMSSA-N 1 3 390.568 3.732 20 0 GHADHO C[N@H+](CCCCNCc1nc(-c2cccc(Br)c2)c[nH]1)C1CC1 ZINC000453598164 881071683 /nfs/dbraw/zinc/07/16/83/881071683.db2.gz PFWPKNXSPRQDEC-UHFFFAOYSA-N 1 3 377.330 3.803 20 0 GHADHO C[N@@H+](CCCCNCc1nc(-c2cccc(Br)c2)c[nH]1)C1CC1 ZINC000453598164 881071696 /nfs/dbraw/zinc/07/16/96/881071696.db2.gz PFWPKNXSPRQDEC-UHFFFAOYSA-N 1 3 377.330 3.803 20 0 GHADHO CC(=O)N(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000858496971 883150970 /nfs/dbraw/zinc/15/09/70/883150970.db2.gz WSWBLKHDPSOMRO-ULPXVVAUSA-N 1 3 377.532 3.955 20 0 GHADHO Fc1ccc(Cl)c(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211910534 883333620 /nfs/dbraw/zinc/33/36/20/883333620.db2.gz FUUANHKGJUXRIY-KRWDZBQOSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1ccc(Cl)c(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211910534 883333640 /nfs/dbraw/zinc/33/36/40/883333640.db2.gz FUUANHKGJUXRIY-KRWDZBQOSA-N 1 3 398.869 3.718 20 0 GHADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000455888836 883587991 /nfs/dbraw/zinc/58/79/91/883587991.db2.gz XZFALAOHQCAWON-IFMALSPDSA-N 1 3 378.520 3.632 20 0 GHADHO CCC(=O)N1CC[C@H](N[C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000556264884 884283817 /nfs/dbraw/zinc/28/38/17/884283817.db2.gz WWTZMIMHDZPRJA-FCHUYYIVSA-N 1 3 389.559 3.979 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000460344822 884923142 /nfs/dbraw/zinc/92/31/42/884923142.db2.gz DOBLVERLBCKXGI-RTBURBONSA-N 1 3 383.580 3.666 20 0 GHADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001130730850 884976166 /nfs/dbraw/zinc/97/61/66/884976166.db2.gz SWAPOKLVFPDJLQ-HXUWFJFHSA-N 1 3 399.501 3.535 20 0 GHADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001130730850 884976182 /nfs/dbraw/zinc/97/61/82/884976182.db2.gz SWAPOKLVFPDJLQ-HXUWFJFHSA-N 1 3 399.501 3.535 20 0 GHADHO C[C@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000806932317 885097398 /nfs/dbraw/zinc/09/73/98/885097398.db2.gz XMWSBOPMCCACNJ-ZXDFIECXSA-N 1 3 386.584 3.774 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccco1 ZINC000806931907 885097565 /nfs/dbraw/zinc/09/75/65/885097565.db2.gz SPGSAPQNSBLKOL-FVELJTHGSA-N 1 3 390.572 3.805 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccc(-c4nnco4)cc3)c3ccccc23)CC1 ZINC001170527820 885563188 /nfs/dbraw/zinc/56/31/88/885563188.db2.gz DNTYEAPXFCNIDR-UHFFFAOYSA-N 1 3 387.487 3.646 20 0 GHADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072858425 886478674 /nfs/dbraw/zinc/47/86/74/886478674.db2.gz JRUZBAPZFQMDMP-FQEVSTJZSA-N 1 3 379.548 3.556 20 0 GHADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072858425 886478680 /nfs/dbraw/zinc/47/86/80/886478680.db2.gz JRUZBAPZFQMDMP-FQEVSTJZSA-N 1 3 379.548 3.556 20 0 GHADHO Cc1cc2oc(=O)cc(CN(C)CCC[N@H+](C)CCN(C)C)c2cc1C(C)C ZINC000808781926 886772806 /nfs/dbraw/zinc/77/28/06/886772806.db2.gz XRQBWPKPLZPKAO-UHFFFAOYSA-N 1 3 387.568 3.540 20 0 GHADHO Cc1cc2oc(=O)cc(CN(C)CCC[N@@H+](C)CCN(C)C)c2cc1C(C)C ZINC000808781926 886772817 /nfs/dbraw/zinc/77/28/17/886772817.db2.gz XRQBWPKPLZPKAO-UHFFFAOYSA-N 1 3 387.568 3.540 20 0 GHADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000051758613 887780980 /nfs/dbraw/zinc/78/09/80/887780980.db2.gz IXUAOOCMPLRLGF-FQEVSTJZSA-N 1 3 392.975 3.649 20 0 GHADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC001184403163 913186184 /nfs/dbraw/zinc/18/61/84/913186184.db2.gz KMZQJFYUHSSTJT-OAQYLSRUSA-N 1 3 399.966 3.930 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000809895245 887961270 /nfs/dbraw/zinc/96/12/70/887961270.db2.gz RXIVVWZYWYWBAM-DEOSSOPVSA-N 1 3 392.547 3.508 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000245656553 889175458 /nfs/dbraw/zinc/17/54/58/889175458.db2.gz FBKITWLACOWHBB-WMZHIEFXSA-N 1 3 396.604 3.953 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000245656553 889175465 /nfs/dbraw/zinc/17/54/65/889175465.db2.gz FBKITWLACOWHBB-WMZHIEFXSA-N 1 3 396.604 3.953 20 0 GHADHO CCN1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000063917573 889798385 /nfs/dbraw/zinc/79/83/85/889798385.db2.gz LXHLACTVAWSFES-IBGZPJMESA-N 1 3 375.520 3.756 20 0 GHADHO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CCC2 ZINC000126702580 890655382 /nfs/dbraw/zinc/65/53/82/890655382.db2.gz JGGFEMFKDFIXCY-LJQANCHMSA-N 1 3 384.593 3.620 20 0 GHADHO CC(C)[NH+]1CCC(N[C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872046858 891130884 /nfs/dbraw/zinc/13/08/84/891130884.db2.gz NGJGMQMMTOGKAZ-LPHOPBHVSA-N 1 3 381.358 3.989 20 0 GHADHO Cc1sc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Br ZINC000873134903 891481089 /nfs/dbraw/zinc/48/10/89/891481089.db2.gz FEGKESJQPJJKOE-INIZCTEOSA-N 1 3 395.366 3.675 20 0 GHADHO Cc1sc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Br ZINC000873134903 891481095 /nfs/dbraw/zinc/48/10/95/891481095.db2.gz FEGKESJQPJJKOE-INIZCTEOSA-N 1 3 395.366 3.675 20 0 GHADHO CCC(CC)(CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)[NH2+][C@@H](C)c1ccccc1 ZINC000497685505 892192784 /nfs/dbraw/zinc/19/27/84/892192784.db2.gz FNPOEYPNPUAKDZ-JBACZVJFSA-N 1 3 386.584 3.632 20 0 GHADHO C[C@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000497735301 892287843 /nfs/dbraw/zinc/28/78/43/892287843.db2.gz GZBLGBVLBNPHKX-UNMCSNQZSA-N 1 3 386.584 3.605 20 0 GHADHO COc1cc(OC)cc(OCC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000508703035 892748182 /nfs/dbraw/zinc/74/81/82/892748182.db2.gz XCMVETCHRKRBCC-ICSRJNTNSA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508703035 892748189 /nfs/dbraw/zinc/74/81/89/892748189.db2.gz XCMVETCHRKRBCC-ICSRJNTNSA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508703035 892748193 /nfs/dbraw/zinc/74/81/93/892748193.db2.gz XCMVETCHRKRBCC-ICSRJNTNSA-N 1 3 384.520 3.583 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000129148617 893105265 /nfs/dbraw/zinc/10/52/65/893105265.db2.gz MUCQXJHVVNSYNM-KDOFPFPSSA-N 1 3 387.337 3.815 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](C3CCC3)C3CCCCC3)CC2)CC1 ZINC000645205272 913753317 /nfs/dbraw/zinc/75/33/17/913753317.db2.gz NUNMYUDLQODJLZ-QFIPXVFZSA-N 1 3 390.616 3.593 20 0 GHADHO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000877055131 893459914 /nfs/dbraw/zinc/45/99/14/893459914.db2.gz NLAVDIIOOGSGLJ-GOSISDBHSA-N 1 3 389.540 3.624 20 0 GHADHO C[N@@H+]1CC[C@@H](NCc2ccc(CN3CCCC3=O)cc2)C[C@H]1c1ccccc1 ZINC000556058436 893579254 /nfs/dbraw/zinc/57/92/54/893579254.db2.gz IQEVPMJFWIFECA-PKTZIBPZSA-N 1 3 377.532 3.734 20 0 GHADHO C[N@H+]1CC[C@@H](NCc2ccc(CN3CCCC3=O)cc2)C[C@H]1c1ccccc1 ZINC000556058436 893579259 /nfs/dbraw/zinc/57/92/59/893579259.db2.gz IQEVPMJFWIFECA-PKTZIBPZSA-N 1 3 377.532 3.734 20 0 GHADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCN(Cc4ccccc4)CC3)ccc21 ZINC000455851156 894708032 /nfs/dbraw/zinc/70/80/32/894708032.db2.gz DWMLZSUGIUDGEZ-HSZRJFAPSA-N 1 3 392.547 3.975 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000645472733 913920482 /nfs/dbraw/zinc/92/04/82/913920482.db2.gz HWSDUIVHBYVESM-JOCHJYFZSA-N 1 3 379.548 3.756 20 0 GHADHO CC(C)C[C@H](N[C@@H]1CCSc2c(Cl)cccc21)C(=O)NCC[NH+](C)C ZINC000537446167 894989052 /nfs/dbraw/zinc/98/90/52/894989052.db2.gz IWSIOYDQEPTZHA-SJORKVTESA-N 1 3 383.989 3.559 20 0 GHADHO CC[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)N(CC)CC ZINC000564685116 895181161 /nfs/dbraw/zinc/18/11/61/895181161.db2.gz QYJSEHVCPDAHCC-FQEVSTJZSA-N 1 3 388.556 3.560 20 0 GHADHO CC(C)C[C@H]([NH3+])c1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000564960027 895327876 /nfs/dbraw/zinc/32/78/76/895327876.db2.gz ZUAMFJFMJRMWGF-SFHVURJKSA-N 1 3 381.524 3.885 20 0 GHADHO COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000564988667 895338553 /nfs/dbraw/zinc/33/85/53/895338553.db2.gz MWLWDAOLYLEMSD-VIZSFHNOSA-N 1 3 393.531 3.697 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000565171752 895437360 /nfs/dbraw/zinc/43/73/60/895437360.db2.gz LYYISDAPQQXRBB-QGZVFWFLSA-N 1 3 375.532 3.541 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000565827536 895915514 /nfs/dbraw/zinc/91/55/14/895915514.db2.gz AGVFRRGNLHYTMB-NFBKMPQASA-N 1 3 392.478 3.665 20 0 GHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)c1c(F)cccc1Cl ZINC000817916689 895961139 /nfs/dbraw/zinc/96/11/39/895961139.db2.gz ANKSNEGNOYYOGE-NUATZEMDSA-N 1 3 390.886 3.747 20 0 GHADHO O=C(CN[C@@H](c1cccc(Cl)c1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000565957215 896009284 /nfs/dbraw/zinc/00/92/84/896009284.db2.gz MOAKYXJWUVSPOL-JOCHJYFZSA-N 1 3 389.971 3.904 20 0 GHADHO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000289118142 914041927 /nfs/dbraw/zinc/04/19/27/914041927.db2.gz DGZDIUJCCQWUFU-ANZJIFDASA-N 1 3 382.552 3.794 20 0 GHADHO [NH3+]C[C@@H]1CN(CCOc2ccc(Oc3ccccc3)cc2)CC12CCOCC2 ZINC000566245556 896196192 /nfs/dbraw/zinc/19/61/92/896196192.db2.gz UWSXEDYTIAOVGV-LJQANCHMSA-N 1 3 382.504 3.545 20 0 GHADHO Cc1ccc([C@@H](OC[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC000566792014 896576660 /nfs/dbraw/zinc/57/66/60/896576660.db2.gz IINJWCGDWLKCKA-ZTCHMBHUSA-N 1 3 394.559 3.677 20 0 GHADHO Cc1ccc([C@@H](OC[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)cc1 ZINC000566792014 896576688 /nfs/dbraw/zinc/57/66/88/896576688.db2.gz IINJWCGDWLKCKA-ZTCHMBHUSA-N 1 3 394.559 3.677 20 0 GHADHO C[C@@H](N[C@@H](Cn1ccnc1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000883386395 897548288 /nfs/dbraw/zinc/54/82/88/897548288.db2.gz FLQJLGKLBPLXDF-XXBNENTESA-N 1 3 378.520 3.916 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000568624560 897993084 /nfs/dbraw/zinc/99/30/84/897993084.db2.gz OWPMXWQPESQEIH-JPYJTQIMSA-N 1 3 377.532 3.564 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000568624560 897993090 /nfs/dbraw/zinc/99/30/90/897993090.db2.gz OWPMXWQPESQEIH-JPYJTQIMSA-N 1 3 377.532 3.564 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631927 899456458 /nfs/dbraw/zinc/45/64/58/899456458.db2.gz WIGKDDNEPSVTGB-XWGVYQGASA-N 1 3 399.623 3.910 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000824314203 899519148 /nfs/dbraw/zinc/51/91/48/899519148.db2.gz HQYHWJQEWZRTML-ZWKOTPCHSA-N 1 3 375.557 3.585 20 0 GHADHO CC(C)(C)c1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)s1 ZINC000571686298 899946349 /nfs/dbraw/zinc/94/63/49/899946349.db2.gz FOJSXAYCGZJSIK-UHFFFAOYSA-N 1 3 391.625 3.860 20 0 GHADHO Clc1cnc(NCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000572026556 900038312 /nfs/dbraw/zinc/03/83/12/900038312.db2.gz WXRHZDNACQOHDU-QFBILLFUSA-N 1 3 393.318 3.646 20 0 GHADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c2ccccc21 ZINC000572832612 900284939 /nfs/dbraw/zinc/28/49/39/900284939.db2.gz NZRSNJUTTOCKEH-MJXNMMHHSA-N 1 3 377.410 3.898 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000573883724 900684002 /nfs/dbraw/zinc/68/40/02/900684002.db2.gz IBCZGTSATIRQQS-ALCCZGGFSA-N 1 3 391.987 3.913 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844306849 900696039 /nfs/dbraw/zinc/69/60/39/900696039.db2.gz CPSARZIFHXEOLP-XZKMEQPCSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844306849 900696043 /nfs/dbraw/zinc/69/60/43/900696043.db2.gz CPSARZIFHXEOLP-XZKMEQPCSA-N 1 3 396.453 3.877 20 0 GHADHO CCC[NH+](CCC)CCN1CCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171136841 901047540 /nfs/dbraw/zinc/04/75/40/901047540.db2.gz WSZGQNCQWQVSEO-QFIPXVFZSA-N 1 3 378.004 3.937 20 0 GHADHO O=C([C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1)N1CCCCC1 ZINC000886605332 901185266 /nfs/dbraw/zinc/18/52/66/901185266.db2.gz OEBOUCFYHYGGAD-HTUFRPJOSA-N 1 3 395.591 3.810 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144176816 901196907 /nfs/dbraw/zinc/19/69/07/901196907.db2.gz MAFBJTBAMWLFMA-LJQANCHMSA-N 1 3 396.560 3.880 20 0 GHADHO Cc1nc(C2CCN(CCC[NH+]3CCC(c4nc(C)c(C)[nH]4)CC3)CC2)[nH]c1C ZINC000886662251 901214047 /nfs/dbraw/zinc/21/40/47/901214047.db2.gz AAXJGIZYFACFPI-UHFFFAOYSA-N 1 3 398.599 3.816 20 0 GHADHO COC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)[C@H]1CCCOC1 ZINC000886789329 901275783 /nfs/dbraw/zinc/27/57/83/901275783.db2.gz SEMFNOLZTOXABW-VCOUNFBDSA-N 1 3 390.568 3.773 20 0 GHADHO Cc1ccc(-c2n[nH]cc2CN(C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645131 901503734 /nfs/dbraw/zinc/50/37/34/901503734.db2.gz BAZHSKMJWKZGMG-UHFFFAOYSA-N 1 3 389.547 3.919 20 0 GHADHO Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893134 902338309 /nfs/dbraw/zinc/33/83/09/902338309.db2.gz WLDFKBWLSWMMNG-SDHOMARFSA-N 1 3 393.575 3.793 20 0 GHADHO Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893134 902338319 /nfs/dbraw/zinc/33/83/19/902338319.db2.gz WLDFKBWLSWMMNG-SDHOMARFSA-N 1 3 393.575 3.793 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC000577297343 902658737 /nfs/dbraw/zinc/65/87/37/902658737.db2.gz DAPUFTIGGDKEAO-AUSIDOKSSA-N 1 3 377.532 3.675 20 0 GHADHO COc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000265108906 903635889 /nfs/dbraw/zinc/63/58/89/903635889.db2.gz AVWGUONVWOOAKH-MOPGFXCFSA-N 1 3 395.547 3.515 20 0 GHADHO C[C@@H]1C[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000779073168 903904225 /nfs/dbraw/zinc/90/42/25/903904225.db2.gz LJFOFKYGSUYEBO-CWJKEVGVSA-N 1 3 387.568 3.852 20 0 GHADHO C[C@@H]1C[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000779073168 903904228 /nfs/dbraw/zinc/90/42/28/903904228.db2.gz LJFOFKYGSUYEBO-CWJKEVGVSA-N 1 3 387.568 3.852 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000579392150 904563986 /nfs/dbraw/zinc/56/39/86/904563986.db2.gz ZUGLLLJGZIGEEJ-UHFFFAOYSA-N 1 3 381.520 3.995 20 0 GHADHO CN1C(C)(C)CC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)CC1(C)C ZINC001171621526 904886686 /nfs/dbraw/zinc/88/66/86/904886686.db2.gz LVTCVVCJNMMPJG-NVXWUHKLSA-N 1 3 385.568 3.823 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1 ZINC000779160961 904916875 /nfs/dbraw/zinc/91/68/75/904916875.db2.gz CNNIGGJSPQDICX-UHFFFAOYSA-N 1 3 386.561 3.753 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CN1Cc1ccccc1 ZINC001171737544 905021251 /nfs/dbraw/zinc/02/12/51/905021251.db2.gz BUMSXTCWYHMQIP-HYBUGGRVSA-N 1 3 378.564 3.546 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CN1Cc1ccccc1 ZINC001171742306 905030867 /nfs/dbraw/zinc/03/08/67/905030867.db2.gz WXZSWUAYHGQMKA-YKSBVNFPSA-N 1 3 378.564 3.546 20 0 GHADHO C[NH+](C)CC[C@H](N[C@@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC001171866805 905115395 /nfs/dbraw/zinc/11/53/95/905115395.db2.gz OMODNCPYEIHBER-PKTZIBPZSA-N 1 3 379.548 3.964 20 0 GHADHO CC1(C)C[C@H](N2CCC(N3CCCCC3=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987805 905250442 /nfs/dbraw/zinc/25/04/42/905250442.db2.gz KATFYAVUJJIVRC-JOCHJYFZSA-N 1 3 383.580 3.907 20 0 GHADHO CC1(C)C[C@H](N2CCC(N3CCCCC3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987805 905250452 /nfs/dbraw/zinc/25/04/52/905250452.db2.gz KATFYAVUJJIVRC-JOCHJYFZSA-N 1 3 383.580 3.907 20 0 GHADHO C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H](N2CC=CC2)C1)C1CCCCC1 ZINC000174526363 905289757 /nfs/dbraw/zinc/28/97/57/905289757.db2.gz OVHGOPRAHQPZKS-NRFANRHFSA-N 1 3 382.552 3.929 20 0 GHADHO C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H](N2CC=CC2)C1)C1CCCCC1 ZINC000174526363 905289777 /nfs/dbraw/zinc/28/97/77/905289777.db2.gz OVHGOPRAHQPZKS-NRFANRHFSA-N 1 3 382.552 3.929 20 0 GHADHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OCc1ccncc1 ZINC000174598204 905305056 /nfs/dbraw/zinc/30/50/56/905305056.db2.gz DAHPYSOEKYDMLR-SEJPIABJSA-N 1 3 381.520 3.774 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)C2 ZINC001172110758 905360635 /nfs/dbraw/zinc/36/06/35/905360635.db2.gz OUPBTFQWNCUTTL-MXEMCNAFSA-N 1 3 387.568 3.727 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)C2 ZINC001172110758 905360650 /nfs/dbraw/zinc/36/06/50/905360650.db2.gz OUPBTFQWNCUTTL-MXEMCNAFSA-N 1 3 387.568 3.727 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2CCC[C@H]2CN)CCN1C(=O)OC(C)(C)C ZINC001172580258 905679652 /nfs/dbraw/zinc/67/96/52/905679652.db2.gz JASQOECFRHJMOY-CMKODMSKSA-N 1 3 391.531 3.998 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2CCC[C@H]2CN)CCN1C(=O)OC(C)(C)C ZINC001172580258 905679662 /nfs/dbraw/zinc/67/96/62/905679662.db2.gz JASQOECFRHJMOY-CMKODMSKSA-N 1 3 391.531 3.998 20 0 GHADHO C[N@H+](C1CCN(CC(=O)OC(C)(C)C)CC1)C1CCN(C2CCCCC2)CC1 ZINC001172899310 905921930 /nfs/dbraw/zinc/92/19/30/905921930.db2.gz WIVCXGXKDTXETE-UHFFFAOYSA-N 1 3 393.616 3.521 20 0 GHADHO C[N@@H+](C1CCN(CC(=O)OC(C)(C)C)CC1)C1CCN(C2CCCCC2)CC1 ZINC001172899310 905921940 /nfs/dbraw/zinc/92/19/40/905921940.db2.gz WIVCXGXKDTXETE-UHFFFAOYSA-N 1 3 393.616 3.521 20 0 GHADHO COc1cccc(C2(N)CC[NH+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001172958825 906065746 /nfs/dbraw/zinc/06/57/46/906065746.db2.gz YUHVIIXGHFWVGZ-KRWDZBQOSA-N 1 3 391.556 3.591 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000180641174 906807471 /nfs/dbraw/zinc/80/74/71/906807471.db2.gz DNVSRVRCJVCKOO-KXBFYZLASA-N 1 3 376.447 3.705 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000180641174 906807476 /nfs/dbraw/zinc/80/74/76/906807476.db2.gz DNVSRVRCJVCKOO-KXBFYZLASA-N 1 3 376.447 3.705 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CCC3)C2)CC1 ZINC001174704085 907166749 /nfs/dbraw/zinc/16/67/49/907166749.db2.gz CLUFTWOGVCOHJA-QFIPXVFZSA-N 1 3 383.580 3.588 20 0 GHADHO CCCN1CCN(c2ccccc2CNCCC[N@H+](C)C2CCCCC2)CC1 ZINC001177066290 908389217 /nfs/dbraw/zinc/38/92/17/908389217.db2.gz QNVPWLRRSVMXLW-UHFFFAOYSA-N 1 3 386.628 3.963 20 0 GHADHO CCCN1CCN(c2ccccc2CNCCC[N@@H+](C)C2CCCCC2)CC1 ZINC001177066290 908389235 /nfs/dbraw/zinc/38/92/35/908389235.db2.gz QNVPWLRRSVMXLW-UHFFFAOYSA-N 1 3 386.628 3.963 20 0 GHADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN([C@@H]3CCCC[C@@H]3O)CC1)CCS2 ZINC000191535113 908639324 /nfs/dbraw/zinc/63/93/24/908639324.db2.gz HJIKSFYZDKAHAD-ZCNNSNEGSA-N 1 3 376.566 3.590 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001178731727 909207262 /nfs/dbraw/zinc/20/72/62/909207262.db2.gz AMEVLVKUEYKUEC-FGCOXFRFSA-N 1 3 391.559 3.535 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001178731727 909207273 /nfs/dbraw/zinc/20/72/73/909207273.db2.gz AMEVLVKUEYKUEC-FGCOXFRFSA-N 1 3 391.559 3.535 20 0 GHADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cccc(CN(C)C)c1 ZINC000267630853 909570070 /nfs/dbraw/zinc/57/00/70/909570070.db2.gz NSRICTMDLFKSDZ-UHFFFAOYSA-N 1 3 388.478 3.876 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(CN3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268779184 910011802 /nfs/dbraw/zinc/01/18/02/910011802.db2.gz HXKYMNSDVKLBSE-RDPSFJRHSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(CN3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268779184 910011818 /nfs/dbraw/zinc/01/18/18/910011818.db2.gz HXKYMNSDVKLBSE-RDPSFJRHSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)N1[C@H](C)CC[C@H]1C ZINC000245998585 910042752 /nfs/dbraw/zinc/04/27/52/910042752.db2.gz DIWVAACQQYPTDL-BRWVUGGUSA-N 1 3 390.547 3.556 20 0 GHADHO CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000638181599 910077419 /nfs/dbraw/zinc/07/74/19/910077419.db2.gz HWCXEBJHXVYVEA-UPVQGACJSA-N 1 3 385.596 3.725 20 0 GHADHO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000638181599 910077434 /nfs/dbraw/zinc/07/74/34/910077434.db2.gz HWCXEBJHXVYVEA-UPVQGACJSA-N 1 3 385.596 3.725 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)CCC2 ZINC000269121650 910149388 /nfs/dbraw/zinc/14/93/88/910149388.db2.gz XSPDFXPHFGOROZ-XMMPIXPASA-N 1 3 380.532 3.819 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)CCC2 ZINC000269121650 910149399 /nfs/dbraw/zinc/14/93/99/910149399.db2.gz XSPDFXPHFGOROZ-XMMPIXPASA-N 1 3 380.532 3.819 20 0 GHADHO CC(C)(C)[C@@]1(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639296503 910378683 /nfs/dbraw/zinc/37/86/83/910378683.db2.gz VFTRNZRELMONMB-HYBUGGRVSA-N 1 3 383.580 3.525 20 0 GHADHO C[C@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000270058376 910422434 /nfs/dbraw/zinc/42/24/34/910422434.db2.gz FXYDWKXNIVNKQA-XDBZFTIUSA-N 1 3 399.604 3.805 20 0 GHADHO FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000291107459 914981852 /nfs/dbraw/zinc/98/18/52/914981852.db2.gz KCPXOPRBKHTJJP-IBGZPJMESA-N 1 3 383.502 3.557 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000647343896 915164944 /nfs/dbraw/zinc/16/49/44/915164944.db2.gz FKRMURFTTVDPKH-NNWRFLSQSA-N 1 3 379.548 3.956 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000647343896 915164948 /nfs/dbraw/zinc/16/49/48/915164948.db2.gz FKRMURFTTVDPKH-NNWRFLSQSA-N 1 3 379.548 3.956 20 0 GHADHO CCS(=O)(=O)CCCCCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293336770 916133830 /nfs/dbraw/zinc/13/38/30/916133830.db2.gz MYJGJXMUTKWDCP-UHFFFAOYSA-N 1 3 392.609 3.580 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(C(C)(C)O)cc2)CC1 ZINC000775324743 916936760 /nfs/dbraw/zinc/93/67/60/916936760.db2.gz ACOCKXFRYWKLPT-UHFFFAOYSA-N 1 3 381.564 3.736 20 0 GHADHO CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000362032559 917042859 /nfs/dbraw/zinc/04/28/59/917042859.db2.gz NOHPODZJWHPUCQ-JTSKRJEESA-N 1 3 381.520 3.776 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)ccc1OC ZINC000775383598 917316665 /nfs/dbraw/zinc/31/66/65/917316665.db2.gz ZVLCJVSSEGOVMM-INIZCTEOSA-N 1 3 383.527 3.917 20 0 GHADHO COC[C@@]1(C)CCN(Cc2cc(C[N@@H+]3CC[C@](C)(COC)C3)ccc2F)C1 ZINC000296803639 918768201 /nfs/dbraw/zinc/76/82/01/918768201.db2.gz RBUHXXDSLPRXHX-VXKWHMMOSA-N 1 3 378.532 3.543 20 0 GHADHO COC[C@@]1(C)CCN(Cc2cc(C[N@H+]3CC[C@](C)(COC)C3)ccc2F)C1 ZINC000296803639 918768328 /nfs/dbraw/zinc/76/83/28/918768328.db2.gz RBUHXXDSLPRXHX-VXKWHMMOSA-N 1 3 378.532 3.543 20 0 GHADHO CN(Cc1csc(-c2ccc(F)cc2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367686597 922267222 /nfs/dbraw/zinc/26/72/22/922267222.db2.gz URASQYMHBBRCHK-FQEVSTJZSA-N 1 3 388.556 3.550 20 0 GHADHO COCC1(C[NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CCOCC1 ZINC000368182177 922518929 /nfs/dbraw/zinc/51/89/29/922518929.db2.gz XCEHKASIHKROLV-LJQANCHMSA-N 1 3 390.568 3.775 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147295 922807941 /nfs/dbraw/zinc/80/79/41/922807941.db2.gz GVLQKHUFWOGWRK-QPPBQGQZSA-N 1 3 398.522 3.650 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147295 922807947 /nfs/dbraw/zinc/80/79/47/922807947.db2.gz GVLQKHUFWOGWRK-QPPBQGQZSA-N 1 3 398.522 3.650 20 0 GHADHO Cc1cc(C[NH2+]C[C@H]2CNCCC2(F)F)cc(C)c1OCc1ccccn1 ZINC000903958210 923437813 /nfs/dbraw/zinc/43/78/13/923437813.db2.gz XDYPORRROSFBEX-GOSISDBHSA-N 1 3 375.463 3.612 20 0 GHADHO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000677175096 924269579 /nfs/dbraw/zinc/26/95/79/924269579.db2.gz YVNBHDJIBSTLNK-UHFFFAOYSA-N 1 3 379.548 3.923 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000677175096 924269584 /nfs/dbraw/zinc/26/95/84/924269584.db2.gz YVNBHDJIBSTLNK-UHFFFAOYSA-N 1 3 379.548 3.923 20 0 GHADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000370725626 924275404 /nfs/dbraw/zinc/27/54/04/924275404.db2.gz UNMILUXXIPRLNR-OFNKIYASSA-N 1 3 394.563 3.640 20 0 GHADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000370725626 924275415 /nfs/dbraw/zinc/27/54/15/924275415.db2.gz UNMILUXXIPRLNR-OFNKIYASSA-N 1 3 394.563 3.640 20 0 GHADHO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000678588601 924832060 /nfs/dbraw/zinc/83/20/60/924832060.db2.gz BIWQAURKZDBUMZ-QHCPKHFHSA-N 1 3 377.532 3.598 20 0 GHADHO CN1CC[C@@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)[C@H]1c1ccccc1 ZINC000682654938 926198378 /nfs/dbraw/zinc/19/83/78/926198378.db2.gz VQPDUDSLYXQRAT-FGZHOGPDSA-N 1 3 396.535 3.584 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@](C)(Cc2ccccc2)c2ccccc2)CC1 ZINC000412099858 927097339 /nfs/dbraw/zinc/09/73/39/927097339.db2.gz RAZZXNRFQZANFS-RUZDIDTESA-N 1 3 393.575 3.723 20 0 GHADHO C[NH+](C)CCc1ccc(CNC(=O)c2cccc(CN3CCCCC3)c2)cc1 ZINC000412275519 927285963 /nfs/dbraw/zinc/28/59/63/927285963.db2.gz JYYJATUAXYQCLZ-UHFFFAOYSA-N 1 3 379.548 3.707 20 0 GHADHO Cc1ccc(-c2ncc(CN3CCC(C)(C[NH+]4CCN(C)CC4)CC3)s2)cc1 ZINC000544595348 929320803 /nfs/dbraw/zinc/32/08/03/929320803.db2.gz VKKNOOGUMQUENT-UHFFFAOYSA-N 1 3 398.620 3.968 20 0 GHADHO COc1cc2c(cc1CNCC[C@@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)OCO2 ZINC000546056177 929812113 /nfs/dbraw/zinc/81/21/13/929812113.db2.gz NWLAUTVDJDUGOD-PKOBYXMFSA-N 1 3 382.504 3.814 20 0 GHADHO COc1cc2c(cc1CNCC[C@@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000546056177 929812124 /nfs/dbraw/zinc/81/21/24/929812124.db2.gz NWLAUTVDJDUGOD-PKOBYXMFSA-N 1 3 382.504 3.814 20 0 GHADHO CC(C)N(CC(F)(F)F)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000469763466 930145837 /nfs/dbraw/zinc/14/58/37/930145837.db2.gz JTPXEMQCDBZXHU-IAGOWNOFSA-N 1 3 399.501 3.532 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)c(F)c1 ZINC000781419868 930836627 /nfs/dbraw/zinc/83/66/27/930836627.db2.gz FSDIOAOEQASPTH-DAVBRLECSA-N 1 3 386.486 3.889 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)c(F)c1 ZINC000781419868 930836635 /nfs/dbraw/zinc/83/66/35/930836635.db2.gz FSDIOAOEQASPTH-DAVBRLECSA-N 1 3 386.486 3.889 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739456 930874231 /nfs/dbraw/zinc/87/42/31/930874231.db2.gz BBYXDSAVXTXUIK-ICSRJNTNSA-N 1 3 392.613 3.504 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739456 930874234 /nfs/dbraw/zinc/87/42/34/930874234.db2.gz BBYXDSAVXTXUIK-ICSRJNTNSA-N 1 3 392.613 3.504 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)CC2)C[C@@H](C)O1 ZINC000470769898 930896639 /nfs/dbraw/zinc/89/66/39/930896639.db2.gz VDSRBAGEMRUDMG-UMEGOILYSA-N 1 3 396.575 3.564 20 0 GHADHO CCN(CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000798273031 932585785 /nfs/dbraw/zinc/58/57/85/932585785.db2.gz OTNXJJVDDHHDOQ-QUCCMNQESA-N 1 3 375.557 3.886 20 0 GHADHO CCN(CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000798273031 932585792 /nfs/dbraw/zinc/58/57/92/932585792.db2.gz OTNXJJVDDHHDOQ-QUCCMNQESA-N 1 3 375.557 3.886 20 0 GHADHO C[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933994 932821570 /nfs/dbraw/zinc/82/15/70/932821570.db2.gz ALZOKYBVBBLMGI-NTKDMRAZSA-N 1 3 392.547 3.779 20 0 GHADHO C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933994 932821573 /nfs/dbraw/zinc/82/15/73/932821573.db2.gz ALZOKYBVBBLMGI-NTKDMRAZSA-N 1 3 392.547 3.779 20 0 GHADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC001116288641 933458946 /nfs/dbraw/zinc/45/89/46/933458946.db2.gz LWDHOBQJWLDVAE-QZTJIDSGSA-N 1 3 378.582 3.785 20 0 GHADHO O=C(CN1CCCC2(CC[NH2+]CC2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC001118198608 934105901 /nfs/dbraw/zinc/10/59/01/934105901.db2.gz QJKAHDRZLJWRSL-QHCPKHFHSA-N 1 3 391.559 3.552 20 0 GHADHO CCOC(=O)CC(C)(C)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000561865481 934517489 /nfs/dbraw/zinc/51/74/89/934517489.db2.gz QWAYQRDYAOZBRF-KDURUIRLSA-N 1 3 382.589 3.567 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001121997788 934800647 /nfs/dbraw/zinc/80/06/47/934800647.db2.gz IBXKOVUFARZNIV-QHCPKHFHSA-N 1 3 395.572 3.522 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001121997788 934800653 /nfs/dbraw/zinc/80/06/53/934800653.db2.gz IBXKOVUFARZNIV-QHCPKHFHSA-N 1 3 395.572 3.522 20 0 GHADHO CCCN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC001122376744 934859007 /nfs/dbraw/zinc/85/90/07/934859007.db2.gz DZDLMVXOCDILRE-XZOQPEGZSA-N 1 3 383.580 3.525 20 0 GHADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H](N)CC3CCCCC3)cc2)CC1 ZINC000830125693 935902795 /nfs/dbraw/zinc/90/27/95/935902795.db2.gz RZUJIBVUNQWCSN-JOCHJYFZSA-N 1 3 386.584 3.701 20 0 GHADHO CC(=O)Oc1cccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041466 935946241 /nfs/dbraw/zinc/94/62/41/935946241.db2.gz BRTODPTZJOUEPA-NKKJXINNSA-N 1 3 393.531 3.739 20 0 GHADHO CC(=O)Oc1cccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041466 935946245 /nfs/dbraw/zinc/94/62/45/935946245.db2.gz BRTODPTZJOUEPA-NKKJXINNSA-N 1 3 393.531 3.739 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)N2CCCC2)cc1 ZINC001626102908 1014886808 /nfs/dbraw/zinc/88/68/08/1014886808.db2.gz XCFYIKMMOJOTBU-TZRRMPRUSA-N 1 3 391.559 3.594 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)N2CCCC2)cc1 ZINC001626102908 1014886811 /nfs/dbraw/zinc/88/68/11/1014886811.db2.gz XCFYIKMMOJOTBU-TZRRMPRUSA-N 1 3 391.559 3.594 20 0 GHADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000468750024 1015990816 /nfs/dbraw/zinc/99/08/16/1015990816.db2.gz UOZUQXMKWWZHLF-KZNAEPCWSA-N 1 3 383.536 3.972 20 0 GHADHO CN1CCC([N@@H+]2CC[C@H](N[C@H](c3ccc(Cl)cc3)c3ccccn3)C2)CC1 ZINC000925041303 1017032142 /nfs/dbraw/zinc/03/21/42/1017032142.db2.gz MZRVOYFNOLKMBU-SIKLNZKXSA-N 1 3 384.955 3.583 20 0 GHADHO CN1CCC([N@H+]2CC[C@H](N[C@H](c3ccc(Cl)cc3)c3ccccn3)C2)CC1 ZINC000925041303 1017032152 /nfs/dbraw/zinc/03/21/52/1017032152.db2.gz MZRVOYFNOLKMBU-SIKLNZKXSA-N 1 3 384.955 3.583 20 0 GHADHO Cc1cc(C)cc([C@@H](N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c2cccnc2)c1 ZINC000925042695 1017032342 /nfs/dbraw/zinc/03/23/42/1017032342.db2.gz VCKUBIZFICCGIV-UPVQGACJSA-N 1 3 378.564 3.546 20 0 GHADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001221445412 1032418775 /nfs/dbraw/zinc/41/87/75/1032418775.db2.gz HPKBAPNCTKUUKY-IRLDBZIGSA-N 1 3 388.600 3.519 20 0 GHADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001221445412 1032418782 /nfs/dbraw/zinc/41/87/82/1032418782.db2.gz HPKBAPNCTKUUKY-IRLDBZIGSA-N 1 3 388.600 3.519 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001204172365 1032622715 /nfs/dbraw/zinc/62/27/15/1032622715.db2.gz WHIPVSOKWNPXHJ-QHCPKHFHSA-N 1 3 379.548 3.893 20 0 GHADHO c1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969690 1017996139 /nfs/dbraw/zinc/99/61/39/1017996139.db2.gz RKCYWXYDGHFNTK-VWLOTQADSA-N 1 3 391.559 3.621 20 0 GHADHO c1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969690 1017996142 /nfs/dbraw/zinc/99/61/42/1017996142.db2.gz RKCYWXYDGHFNTK-VWLOTQADSA-N 1 3 391.559 3.621 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccccc3OCc3ccccc3)CC2)CC1 ZINC001204336680 1032779015 /nfs/dbraw/zinc/77/90/15/1032779015.db2.gz XYHFMZQKTGPTGB-UHFFFAOYSA-N 1 3 393.575 3.725 20 0 GHADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1Cc1ccc(-n2cncn2)c(F)c1 ZINC000568627452 1019431087 /nfs/dbraw/zinc/43/10/87/1019431087.db2.gz AHJGUJKMOBSUQZ-IFMALSPDSA-N 1 3 393.510 3.579 20 0 GHADHO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2cc(-n3ccnc3)ccn2)cc1 ZINC001156293423 1032962701 /nfs/dbraw/zinc/96/27/01/1032962701.db2.gz FFDZOAHJOKGUSR-OAQYLSRUSA-N 1 3 391.519 3.767 20 0 GHADHO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)c2cc(-n3ccnc3)ccn2)cc1 ZINC001156293423 1032962713 /nfs/dbraw/zinc/96/27/13/1032962713.db2.gz FFDZOAHJOKGUSR-OAQYLSRUSA-N 1 3 391.519 3.767 20 0 GHADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nc(Br)cs1 ZINC000834571341 1021276439 /nfs/dbraw/zinc/27/64/39/1021276439.db2.gz QYFGBNBMIYGOFQ-ZDUSSCGKSA-N 1 3 398.370 3.739 20 0 GHADHO C[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1nc(Br)cs1 ZINC000834630174 1021331336 /nfs/dbraw/zinc/33/13/36/1021331336.db2.gz WUCMYNNNUXSZAG-GFCCVEGCSA-N 1 3 381.343 3.868 20 0 GHADHO Nc1ncc(-c2ccccc2C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cn1 ZINC001140324869 1021404237 /nfs/dbraw/zinc/40/42/37/1021404237.db2.gz GRICUWPNYFNMLR-UHFFFAOYSA-N 1 3 399.542 3.824 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4ncccc4CN4CCCC4)[C@@H]3C2)cc1 ZINC001156317895 1032981891 /nfs/dbraw/zinc/98/18/91/1032981891.db2.gz NKYOONICPHFAPD-WWNPGLIZSA-N 1 3 376.548 4.000 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4ncccc4CN4CCCC4)[C@@H]3C2)cc1 ZINC001156317895 1032981895 /nfs/dbraw/zinc/98/18/95/1032981895.db2.gz NKYOONICPHFAPD-WWNPGLIZSA-N 1 3 376.548 4.000 20 0 GHADHO CCN1C[C@H]2C[NH+](Cc3ccccc3-c3cccc(Br)n3)C[C@@H]2C1 ZINC001140408264 1021591181 /nfs/dbraw/zinc/59/11/81/1021591181.db2.gz DOXRUAHERYVFCV-IRXDYDNUSA-N 1 3 386.337 3.895 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCOC23CCOCC3)cc1CN1CCCCC1 ZINC000903388609 1021597655 /nfs/dbraw/zinc/59/76/55/1021597655.db2.gz FOFYHHMGJZXACP-AVRDEDQJSA-N 1 3 388.552 3.670 20 0 GHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000678285341 1021916648 /nfs/dbraw/zinc/91/66/48/1021916648.db2.gz WZVLPZPJIOXUFX-FQEVSTJZSA-N 1 3 396.535 3.766 20 0 GHADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCCCN3C3CCCC3)cc2)CC1 ZINC000827820616 1022350186 /nfs/dbraw/zinc/35/01/86/1022350186.db2.gz DDDKUPFQYRJOPQ-QHCPKHFHSA-N 1 3 398.595 3.953 20 0 GHADHO CN1CCN(c2ccccc2C[N@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC001140969960 1023034119 /nfs/dbraw/zinc/03/41/19/1023034119.db2.gz AWKYTAOKNKLLGV-UHFFFAOYSA-N 1 3 392.591 3.535 20 0 GHADHO CN1CCN(c2ccccc2C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC001140969960 1023034134 /nfs/dbraw/zinc/03/41/34/1023034134.db2.gz AWKYTAOKNKLLGV-UHFFFAOYSA-N 1 3 392.591 3.535 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccc5c(c4)OCCO5)CC[C@@H]3C2)cc1 ZINC001141042495 1023367174 /nfs/dbraw/zinc/36/71/74/1023367174.db2.gz SWMJQKHTTLYZBO-YADHBBJMSA-N 1 3 378.516 3.802 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccc5c(c4)OCCO5)CC[C@@H]3C2)cc1 ZINC001141042495 1023367182 /nfs/dbraw/zinc/36/71/82/1023367182.db2.gz SWMJQKHTTLYZBO-YADHBBJMSA-N 1 3 378.516 3.802 20 0 GHADHO [NH3+]C[C@@H]1[C@H]2CN(Cc3ccc(OC(F)(F)F)cc3OCc3ccccc3)C[C@H]21 ZINC001204919120 1033165985 /nfs/dbraw/zinc/16/59/85/1033165985.db2.gz VLPGAFCMSYQUMT-LDLYASANSA-N 1 3 392.421 3.801 20 0 GHADHO Cc1ccc(C[NH+]2CCC3(CCN(Cc4cnc(N(C)C)nc4)CC3)CC2)cc1 ZINC001138351786 1024714049 /nfs/dbraw/zinc/71/40/49/1024714049.db2.gz SKFKTWOJAFZTFF-UHFFFAOYSA-N 1 3 393.579 3.729 20 0 GHADHO c1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccc4N4CCCCC4)C[C@H]3C2)nc1 ZINC001138606366 1025092952 /nfs/dbraw/zinc/09/29/52/1025092952.db2.gz PYKFMQYXISDQOA-VXKWHMMOSA-N 1 3 376.548 3.636 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H](C(=O)OCc3ccccc3)C2)cc1 ZINC001138773567 1025345058 /nfs/dbraw/zinc/34/50/58/1025345058.db2.gz HXIQZZJIMDTVEB-JOCHJYFZSA-N 1 3 396.531 3.582 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccnc(Cl)c1)CC2 ZINC001138817808 1025417165 /nfs/dbraw/zinc/41/71/65/1025417165.db2.gz CFNYAZFXTWDXMP-HXUWFJFHSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccnc(Cl)c1)CC2 ZINC001138817808 1025417179 /nfs/dbraw/zinc/41/71/79/1025417179.db2.gz CFNYAZFXTWDXMP-HXUWFJFHSA-N 1 3 385.939 3.991 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)s1 ZINC001139296923 1026150617 /nfs/dbraw/zinc/15/06/17/1026150617.db2.gz QJJJINOLHRPSGN-ZWKOTPCHSA-N 1 3 377.598 3.548 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)s1 ZINC001139296923 1026150624 /nfs/dbraw/zinc/15/06/24/1026150624.db2.gz QJJJINOLHRPSGN-ZWKOTPCHSA-N 1 3 377.598 3.548 20 0 GHADHO CN(C)C1(CNc2ccc3c(c2)[C@@H](c2ccccc2)CC(=O)N3)CC[NH+](C)CC1 ZINC001164213113 1026455967 /nfs/dbraw/zinc/45/59/67/1026455967.db2.gz PFCJPFQKLCKIQP-HXUWFJFHSA-N 1 3 392.547 3.599 20 0 GHADHO COc1ccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1C(C)C ZINC001139620057 1026487143 /nfs/dbraw/zinc/48/71/43/1026487143.db2.gz KKFTXFUXPQDYGR-ZJSXRUAMSA-N 1 3 386.580 3.999 20 0 GHADHO COc1ccc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1C(C)C ZINC001139620057 1026487155 /nfs/dbraw/zinc/48/71/55/1026487155.db2.gz KKFTXFUXPQDYGR-ZJSXRUAMSA-N 1 3 386.580 3.999 20 0 GHADHO Brc1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2c1OCCCO2 ZINC001202987545 1026741012 /nfs/dbraw/zinc/74/10/12/1026741012.db2.gz XSILKCINYAXCRB-IRXDYDNUSA-N 1 3 395.341 3.717 20 0 GHADHO Brc1cc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc2c1OCCCO2 ZINC001202987545 1026741028 /nfs/dbraw/zinc/74/10/28/1026741028.db2.gz XSILKCINYAXCRB-IRXDYDNUSA-N 1 3 395.341 3.717 20 0 GHADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCCc3ccccc3C2)c1 ZINC001461138519 1069409474 /nfs/dbraw/zinc/40/94/74/1069409474.db2.gz BSTUMUAAVIMGDC-HSZRJFAPSA-N 1 3 382.548 3.681 20 0 GHADHO COc1ccccc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001203432700 1027335380 /nfs/dbraw/zinc/33/53/80/1027335380.db2.gz SYKYHWZYCBVKQH-JOCHJYFZSA-N 1 3 380.532 3.951 20 0 GHADHO COc1ccccc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001203432700 1027335399 /nfs/dbraw/zinc/33/53/99/1027335399.db2.gz SYKYHWZYCBVKQH-JOCHJYFZSA-N 1 3 380.532 3.951 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(OC)c(O)c2)CC3)c1 ZINC001203868093 1027671273 /nfs/dbraw/zinc/67/12/73/1027671273.db2.gz NOBADUPGRXAVCB-UHFFFAOYSA-N 1 3 396.531 3.898 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(OC)c(O)c2)CC3)c1 ZINC001203868093 1027671277 /nfs/dbraw/zinc/67/12/77/1027671277.db2.gz NOBADUPGRXAVCB-UHFFFAOYSA-N 1 3 396.531 3.898 20 0 GHADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001210837302 1027671720 /nfs/dbraw/zinc/67/17/20/1027671720.db2.gz PMHRHEIBWPRIKK-JOCHJYFZSA-N 1 3 398.595 3.749 20 0 GHADHO CC(C)[C@H](CNC(=O)N[C@H](C)CN(C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC001211244133 1027853316 /nfs/dbraw/zinc/85/33/16/1027853316.db2.gz DFXCFNOPVCLPBC-IRLDBZIGSA-N 1 3 388.600 3.563 20 0 GHADHO CC1CCN([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c2ccccc2)CC1 ZINC001142069866 1028024295 /nfs/dbraw/zinc/02/42/95/1028024295.db2.gz VKIWSRIEUURRHO-DHIUTWEWSA-N 1 3 383.580 3.983 20 0 GHADHO CC1CCN([C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c2ccccc2)CC1 ZINC001142069866 1028024312 /nfs/dbraw/zinc/02/43/12/1028024312.db2.gz VKIWSRIEUURRHO-DHIUTWEWSA-N 1 3 383.580 3.983 20 0 GHADHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC001461343372 1069510013 /nfs/dbraw/zinc/51/00/13/1069510013.db2.gz JVPZKOAVFDVRBS-NRFANRHFSA-N 1 3 386.584 3.925 20 0 GHADHO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC001142307279 1028651527 /nfs/dbraw/zinc/65/15/27/1028651527.db2.gz WFASQDLYQPJMOI-UHFFFAOYSA-N 1 3 380.536 3.831 20 0 GHADHO Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001215551330 1029276264 /nfs/dbraw/zinc/27/62/64/1029276264.db2.gz REBTTZXLXHWNOS-KRWDZBQOSA-N 1 3 392.588 3.704 20 0 GHADHO Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001215551330 1029276279 /nfs/dbraw/zinc/27/62/79/1029276279.db2.gz REBTTZXLXHWNOS-KRWDZBQOSA-N 1 3 392.588 3.704 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cc3cccnc3[nH]1)CC2 ZINC001143215135 1029918742 /nfs/dbraw/zinc/91/87/42/1029918742.db2.gz XHUZLZVSQVWHJL-IBGZPJMESA-N 1 3 396.560 3.880 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cc3cccnc3[nH]1)CC2 ZINC001143215135 1029918747 /nfs/dbraw/zinc/91/87/47/1029918747.db2.gz XHUZLZVSQVWHJL-IBGZPJMESA-N 1 3 396.560 3.880 20 0 GHADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000843364186 1029940712 /nfs/dbraw/zinc/94/07/12/1029940712.db2.gz QFIWHEWFOINCEJ-QFIPXVFZSA-N 1 3 397.950 3.621 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)N2Cc2cccc3c2CCO3)cc1 ZINC001222590550 1030216736 /nfs/dbraw/zinc/21/67/36/1030216736.db2.gz JEGYDNXEOCSHPP-JOCHJYFZSA-N 1 3 392.543 3.925 20 0 GHADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC001218847247 1031112582 /nfs/dbraw/zinc/11/25/82/1031112582.db2.gz PERCFBYBUMGQDM-KRWDZBQOSA-N 1 3 382.533 3.961 20 0 GHADHO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1c(Cl)cc2c(c1Cl)CCNC2 ZINC001218997826 1031202224 /nfs/dbraw/zinc/20/22/24/1031202224.db2.gz HPWZHEDPWSFCPS-ZDUSSCGKSA-N 1 3 390.314 3.968 20 0 GHADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1 ZINC001220384332 1031921540 /nfs/dbraw/zinc/92/15/40/1031921540.db2.gz PEBZZPYXNXIUSY-RTWAWAEBSA-N 1 3 395.547 3.869 20 0 GHADHO CC(C)[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[NH+]1CCC(C)CC1 ZINC001220614461 1032014189 /nfs/dbraw/zinc/01/41/89/1032014189.db2.gz JQDHABOTQPRYSL-HXUWFJFHSA-N 1 3 394.629 3.578 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001229931907 1033798802 /nfs/dbraw/zinc/79/88/02/1033798802.db2.gz XFWYHLDVFUWMHK-ILZDJORESA-N 1 3 394.991 3.547 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001229931907 1033798810 /nfs/dbraw/zinc/79/88/10/1033798810.db2.gz XFWYHLDVFUWMHK-ILZDJORESA-N 1 3 394.991 3.547 20 0 GHADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001158031000 1033872419 /nfs/dbraw/zinc/87/24/19/1033872419.db2.gz CWYJCHAZMXKNTN-QPPBQGQZSA-N 1 3 385.596 3.626 20 0 GHADHO CCOc1cc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)cc(Br)c1O ZINC001206590465 1033918222 /nfs/dbraw/zinc/91/82/22/1033918222.db2.gz MOPLGWIGHYAZOS-OAHLLOKOSA-N 1 3 385.346 3.906 20 0 GHADHO CSc1ccc([C@H](CNC(=O)c2cccc(CC[NH+](C)C)c2)N(C)C)cc1 ZINC001159269470 1034513986 /nfs/dbraw/zinc/51/39/86/1034513986.db2.gz YDNMLBVJDQYCCI-NRFANRHFSA-N 1 3 385.577 3.545 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H](C)C[NH+](C)C)cc54)O[C@H](CN3C1)C2 ZINC001231319559 1034515322 /nfs/dbraw/zinc/51/53/22/1034515322.db2.gz ZFMRQSOQGFXYFS-ZNDOOUMUSA-N 1 3 395.547 3.878 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)nc4ccoc43)c3ccccc23)CC1 ZINC001159459736 1034603802 /nfs/dbraw/zinc/60/38/02/1034603802.db2.gz CLPPAEJOFXTVHS-UHFFFAOYSA-N 1 3 395.894 3.786 20 0 GHADHO COc1ccc2c(ccnc2N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c1 ZINC001159626494 1034695221 /nfs/dbraw/zinc/69/52/21/1034695221.db2.gz XXWCQMYUJRFBIM-MEMLXQNLSA-N 1 3 394.563 3.994 20 0 GHADHO CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC001208158078 1034763584 /nfs/dbraw/zinc/76/35/84/1034763584.db2.gz GBDCAVUZVUBXNE-OAQYLSRUSA-N 1 3 395.551 3.518 20 0 GHADHO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](CC4(CN(C)C)CCCC4)C[C@H]3O2)n1 ZINC001208185489 1034783286 /nfs/dbraw/zinc/78/32/86/1034783286.db2.gz OJOJNNVBUKDCRS-SESVDKBCSA-N 1 3 386.584 3.874 20 0 GHADHO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](CC4(CN(C)C)CCCC4)C[C@H]3O2)n1 ZINC001208185489 1034783301 /nfs/dbraw/zinc/78/33/01/1034783301.db2.gz OJOJNNVBUKDCRS-SESVDKBCSA-N 1 3 386.584 3.874 20 0 GHADHO CN(C)CC1(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)CCCC1 ZINC001208190563 1034785124 /nfs/dbraw/zinc/78/51/24/1034785124.db2.gz GJKXTTPQYCGWHU-MDNUFGMLSA-N 1 3 384.612 3.736 20 0 GHADHO CN(C)CC1(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)CCCC1 ZINC001208190563 1034785140 /nfs/dbraw/zinc/78/51/40/1034785140.db2.gz GJKXTTPQYCGWHU-MDNUFGMLSA-N 1 3 384.612 3.736 20 0 GHADHO CC(C)[NH+]1CCC(CN(C)Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC001231840443 1034936051 /nfs/dbraw/zinc/93/60/51/1034936051.db2.gz ZSVDGUGISVFTFW-UHFFFAOYSA-N 1 3 376.545 3.981 20 0 GHADHO c1ccc(C[N@H+]2CCCC[C@@H]2CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001208583896 1034942111 /nfs/dbraw/zinc/94/21/11/1034942111.db2.gz COSBCOGAJCNZIX-DSNGMDLFSA-N 1 3 390.575 3.785 20 0 GHADHO c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001208583896 1034942114 /nfs/dbraw/zinc/94/21/14/1034942114.db2.gz COSBCOGAJCNZIX-DSNGMDLFSA-N 1 3 390.575 3.785 20 0 GHADHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC3(c4ccccc4)CCCC3)CC2)C1 ZINC001208776983 1035016300 /nfs/dbraw/zinc/01/63/00/1035016300.db2.gz AFOVQFBDPKPLQH-HXUWFJFHSA-N 1 3 384.564 3.848 20 0 GHADHO COC(=O)[C@@H]1CCC[N@H+](C2CCN(CC3(c4ccccc4)CCCC3)CC2)C1 ZINC001208776983 1035016310 /nfs/dbraw/zinc/01/63/10/1035016310.db2.gz AFOVQFBDPKPLQH-HXUWFJFHSA-N 1 3 384.564 3.848 20 0 GHADHO [NH3+]C1(C(=O)N(Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC001160684403 1035035215 /nfs/dbraw/zinc/03/52/15/1035035215.db2.gz UERHPUQLPAWHRY-JOCHJYFZSA-N 1 3 377.532 3.561 20 0 GHADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)O2)n1 ZINC001208934579 1035098366 /nfs/dbraw/zinc/09/83/66/1035098366.db2.gz JJDBVKGBPYCMCT-YSFYHYPLSA-N 1 3 396.535 3.585 20 0 GHADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)O2)n1 ZINC001208934579 1035098378 /nfs/dbraw/zinc/09/83/78/1035098378.db2.gz JJDBVKGBPYCMCT-YSFYHYPLSA-N 1 3 396.535 3.585 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935288 1035101979 /nfs/dbraw/zinc/10/19/79/1035101979.db2.gz KCDUYTMLDAZSIU-OAQYLSRUSA-N 1 3 387.568 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935288 1035101984 /nfs/dbraw/zinc/10/19/84/1035101984.db2.gz KCDUYTMLDAZSIU-OAQYLSRUSA-N 1 3 387.568 3.841 20 0 GHADHO O=C(NC1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)C1CCCC1 ZINC001208936208 1035103409 /nfs/dbraw/zinc/10/34/09/1035103409.db2.gz MPKLMDOKHQRYEZ-NRFANRHFSA-N 1 3 383.580 3.669 20 0 GHADHO O=C(NC1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)C1CCCC1 ZINC001208936208 1035103416 /nfs/dbraw/zinc/10/34/16/1035103416.db2.gz MPKLMDOKHQRYEZ-NRFANRHFSA-N 1 3 383.580 3.669 20 0 GHADHO Cc1cccnc1N1CCCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937232 1035105436 /nfs/dbraw/zinc/10/54/36/1035105436.db2.gz RXNJVBOBFSQTLE-QHCPKHFHSA-N 1 3 378.564 3.814 20 0 GHADHO Cc1cccnc1N1CCCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937232 1035105439 /nfs/dbraw/zinc/10/54/39/1035105439.db2.gz RXNJVBOBFSQTLE-QHCPKHFHSA-N 1 3 378.564 3.814 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)CCCCCCC[NH3+])cc1 ZINC001160955580 1035105877 /nfs/dbraw/zinc/10/58/77/1035105877.db2.gz CEYYLJPDLCAGPF-OAQYLSRUSA-N 1 3 389.584 3.807 20 0 GHADHO O=C1c2ccccc2CN1[C@H]1CC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208947100 1035116568 /nfs/dbraw/zinc/11/65/68/1035116568.db2.gz YXIWEICZRNQFEP-GMAHTHKFSA-N 1 3 389.543 3.629 20 0 GHADHO O=C1c2ccccc2CN1[C@H]1CC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208947100 1035116573 /nfs/dbraw/zinc/11/65/73/1035116573.db2.gz YXIWEICZRNQFEP-GMAHTHKFSA-N 1 3 389.543 3.629 20 0 GHADHO CCOC(=O)c1c[nH]c2cc(NC3CCN(Cc4ccc(O)cc4)CC3)[nH+]cc21 ZINC001161137873 1035155789 /nfs/dbraw/zinc/15/57/89/1035155789.db2.gz ZKFDUJCFMSOAGF-UHFFFAOYSA-N 1 3 394.475 3.522 20 0 GHADHO O=C([C@H]1CCC[C@H](c2ccccc2)N1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161430825 1035229651 /nfs/dbraw/zinc/22/96/51/1035229651.db2.gz LGLGRZJUXGYTBT-DHIUTWEWSA-N 1 3 377.532 3.651 20 0 GHADHO O=C([C@H]1CCC[C@@H](c2ccccc2)N1)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584845 1035265731 /nfs/dbraw/zinc/26/57/31/1035265731.db2.gz QBLDFHJPNPTVKF-XZOQPEGZSA-N 1 3 389.543 3.533 20 0 GHADHO CC[C@@H](C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459868 1035279652 /nfs/dbraw/zinc/27/96/52/1035279652.db2.gz APEPKRTYDAKOJI-NZQKXSOJSA-N 1 3 387.568 3.888 20 0 GHADHO CC[C@@H](C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459868 1035279659 /nfs/dbraw/zinc/27/96/59/1035279659.db2.gz APEPKRTYDAKOJI-NZQKXSOJSA-N 1 3 387.568 3.888 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4cc5c(cn4)OCCC5)CC[C@@H]3C2)cc1 ZINC001209508085 1035297046 /nfs/dbraw/zinc/29/70/46/1035297046.db2.gz ZIRHSWKLNHJHTL-FGZHOGPDSA-N 1 3 377.532 3.751 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H]3CN(Cc4cc5c(cn4)OCCC5)CC[C@@H]3C2)cc1 ZINC001209508085 1035297050 /nfs/dbraw/zinc/29/70/50/1035297050.db2.gz ZIRHSWKLNHJHTL-FGZHOGPDSA-N 1 3 377.532 3.751 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC001248529214 1035934276 /nfs/dbraw/zinc/93/42/76/1035934276.db2.gz ASYVSHMBAFAZII-FPOVZHCZSA-N 1 3 386.584 3.728 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001246048571 1037159341 /nfs/dbraw/zinc/15/93/41/1037159341.db2.gz JKVILQWOEGBAIF-LEWJYISDSA-N 1 3 390.980 3.827 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@@H]3CCN[C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246238320 1037249779 /nfs/dbraw/zinc/24/97/79/1037249779.db2.gz KTOYYAPLUIPVPC-DNQXCXABSA-N 1 3 381.539 3.743 20 0 GHADHO CCCC[C@H]1C[C@H](NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)CC[NH2+]1 ZINC001246280850 1037272593 /nfs/dbraw/zinc/27/25/93/1037272593.db2.gz LTXFLWGEULLGDE-MANSERQUSA-N 1 3 398.588 3.529 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246280823 1037273404 /nfs/dbraw/zinc/27/34/04/1037273404.db2.gz LKXRILBZDHVCDR-XQPJFTJZSA-N 1 3 384.605 3.856 20 0 GHADHO COC(=O)C(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)(Cc1ccccc1)Cc1ccccc1 ZINC001246332048 1037299417 /nfs/dbraw/zinc/29/94/17/1037299417.db2.gz YKODGJPNTDVYFG-AIZNXBIQSA-N 1 3 392.543 3.504 20 0 GHADHO C[C@H](CCc1ccc(Br)cc1)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246342227 1037303301 /nfs/dbraw/zinc/30/33/01/1037303301.db2.gz QXUPKQIPPFTVNP-DFBGVHRSSA-N 1 3 379.264 3.900 20 0 GHADHO COc1cccc(CC2(N[C@H]3C[C@@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246374639 1037333312 /nfs/dbraw/zinc/33/33/12/1037333312.db2.gz GGNUFRHUOXZRNP-OFNKIYASSA-N 1 3 393.575 3.613 20 0 GHADHO CC(C)(C)OC(=O)C1CCC([NH2+]C2(Cc3ccc(F)cc3)CCNCC2)CC1 ZINC001246391738 1037351631 /nfs/dbraw/zinc/35/16/31/1037351631.db2.gz NYLWWEZCXUWDRR-UHFFFAOYSA-N 1 3 390.543 3.981 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H](NC2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246418972 1037374629 /nfs/dbraw/zinc/37/46/29/1037374629.db2.gz BQDNTUSUGBRBMY-CRAIPNDOSA-N 1 3 398.469 3.996 20 0 GHADHO C(NC1CCC(C2CCC3(CC2)OCCO3)CC1)[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246463954 1037418394 /nfs/dbraw/zinc/41/83/94/1037418394.db2.gz YDYUEDNSKJMSCG-KITAHSCOSA-N 1 3 376.585 3.990 20 0 GHADHO CC[C@@H]1C[C@H](NCCc2ccc(OCC(=O)OC(C)(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246485696 1037433369 /nfs/dbraw/zinc/43/33/69/1037433369.db2.gz VUAZPTKSEHICJV-PMOLBWCYSA-N 1 3 390.568 3.848 20 0 GHADHO Fc1ccc2c(c1)C1(CN2)CC[NH+]([C@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246607591 1037503997 /nfs/dbraw/zinc/50/39/97/1037503997.db2.gz RGPGTLWDMIGCQT-RTWAWAEBSA-N 1 3 379.523 3.948 20 0 GHADHO COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246618585 1037510712 /nfs/dbraw/zinc/51/07/12/1037510712.db2.gz HMKBNWDKJNCIEQ-YLJYHZDGSA-N 1 3 382.935 3.895 20 0 GHADHO COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246618585 1037510723 /nfs/dbraw/zinc/51/07/23/1037510723.db2.gz HMKBNWDKJNCIEQ-YLJYHZDGSA-N 1 3 382.935 3.895 20 0 GHADHO COc1ccc2cc(CC[C@@H](C)[N@@H+]3CC[C@@]45CNC[C@@H](C[C@@H]4C3)O5)ccc2c1 ZINC001246687126 1037548551 /nfs/dbraw/zinc/54/85/51/1037548551.db2.gz VIMDOQGMQYDLFN-BROLKAIQSA-N 1 3 380.532 3.622 20 0 GHADHO COc1ccc2cc(CC[C@@H](C)[N@H+]3CC[C@@]45CNC[C@@H](C[C@@H]4C3)O5)ccc2c1 ZINC001246687126 1037548567 /nfs/dbraw/zinc/54/85/67/1037548567.db2.gz VIMDOQGMQYDLFN-BROLKAIQSA-N 1 3 380.532 3.622 20 0 GHADHO CC[C@@H]1C[C@H](N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C[C@H](CC)[NH2+]1 ZINC001246745116 1037585551 /nfs/dbraw/zinc/58/55/51/1037585551.db2.gz MERDKSDSMOXJSC-SXUUSABNSA-N 1 3 391.531 3.532 20 0 GHADHO CCCC[C@H]1C[C@@H]([N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CCN1 ZINC001246747759 1037588035 /nfs/dbraw/zinc/58/80/35/1037588035.db2.gz RLGQHYFDBXLTPI-YCSHWKNNSA-N 1 3 383.580 3.635 20 0 GHADHO CCCC[C@H]1C[C@@H]([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CCN1 ZINC001246747759 1037588065 /nfs/dbraw/zinc/58/80/65/1037588065.db2.gz RLGQHYFDBXLTPI-YCSHWKNNSA-N 1 3 383.580 3.635 20 0 GHADHO COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCN[C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246783310 1037624074 /nfs/dbraw/zinc/62/40/74/1037624074.db2.gz SYTKREQRQKCVHX-YZUZCNPQSA-N 1 3 380.532 3.902 20 0 GHADHO COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CCN[C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246783310 1037624087 /nfs/dbraw/zinc/62/40/87/1037624087.db2.gz SYTKREQRQKCVHX-YZUZCNPQSA-N 1 3 380.532 3.902 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)CCN2)cc1 ZINC001246805616 1037640600 /nfs/dbraw/zinc/64/06/00/1037640600.db2.gz KLULTRZVEOXQBC-ZYQDXHPFSA-N 1 3 375.560 3.556 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)CCN2)cc1 ZINC001246805616 1037640604 /nfs/dbraw/zinc/64/06/04/1037640604.db2.gz KLULTRZVEOXQBC-ZYQDXHPFSA-N 1 3 375.560 3.556 20 0 GHADHO C[C@@H]1C[C@@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[N@@H+]1Cc1ccccc1 ZINC001246831543 1037662516 /nfs/dbraw/zinc/66/25/16/1037662516.db2.gz CVPNEBWXXCNRQP-OTUUDDROSA-N 1 3 381.539 3.852 20 0 GHADHO C[C@@H]1C[C@@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[N@H+]1Cc1ccccc1 ZINC001246831543 1037662538 /nfs/dbraw/zinc/66/25/38/1037662538.db2.gz CVPNEBWXXCNRQP-OTUUDDROSA-N 1 3 381.539 3.852 20 0 GHADHO c1ccc(C[C@@H]2C[C@@H](N3CCC4(CC3)OCCc3ccccc34)CC[NH2+]2)cc1 ZINC001246836232 1037666310 /nfs/dbraw/zinc/66/63/10/1037666310.db2.gz NJPGKCMVMCASGD-PKTZIBPZSA-N 1 3 376.544 3.914 20 0 GHADHO c1ccc(C[C@@H]2C[C@@H]([NH+]3CCC4(CC3)OCCc3ccccc34)CCN2)cc1 ZINC001246836232 1037666314 /nfs/dbraw/zinc/66/63/14/1037666314.db2.gz NJPGKCMVMCASGD-PKTZIBPZSA-N 1 3 376.544 3.914 20 0 GHADHO Brc1cccc2c1C[C@H](N1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246880005 1037693157 /nfs/dbraw/zinc/69/31/57/1037693157.db2.gz OAPBYBQDMXEAEE-KNKQGSTJSA-N 1 3 397.360 3.779 20 0 GHADHO COC(=O)[C@H]1CN([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920836 1037726298 /nfs/dbraw/zinc/72/62/98/1037726298.db2.gz STHBRRCFKKYVBD-YUMYIRISSA-N 1 3 382.479 3.507 20 0 GHADHO O=C(N(c1ccccc1)c1ccccc1)N1CCN([C@H]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246948770 1037752345 /nfs/dbraw/zinc/75/23/45/1037752345.db2.gz LMWXSXAMAZBUFC-QFIPXVFZSA-N 1 3 390.531 3.704 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)[C@H]2CCc3c(F)cccc3C2)c1 ZINC001246957726 1037772247 /nfs/dbraw/zinc/77/22/47/1037772247.db2.gz MRGSURKAMPSDSE-NRFANRHFSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)[C@H]2CCc3c(F)cccc3C2)c1 ZINC001246957726 1037772273 /nfs/dbraw/zinc/77/22/73/1037772273.db2.gz MRGSURKAMPSDSE-NRFANRHFSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(CN(C2CC[NH2+]CC2)[C@H]2CCc3c(F)cccc3C2)c1 ZINC001246957726 1037772301 /nfs/dbraw/zinc/77/23/01/1037772301.db2.gz MRGSURKAMPSDSE-NRFANRHFSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(CN([C@H](C)Cc2ccc(F)cc2)C2CC[NH2+]CC2)c1 ZINC001246958425 1037775173 /nfs/dbraw/zinc/77/51/73/1037775173.db2.gz OXMDKXQYBBHNET-QGZVFWFLSA-N 1 3 384.495 3.798 20 0 GHADHO COC(=O)c1cccc(C[N@H+]([C@H](C)Cc2ccc(F)cc2)C2CCNCC2)c1 ZINC001246958425 1037775195 /nfs/dbraw/zinc/77/51/95/1037775195.db2.gz OXMDKXQYBBHNET-QGZVFWFLSA-N 1 3 384.495 3.798 20 0 GHADHO COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2ccc(F)cc2)C2CCNCC2)c1 ZINC001246958425 1037775208 /nfs/dbraw/zinc/77/52/08/1037775208.db2.gz OXMDKXQYBBHNET-QGZVFWFLSA-N 1 3 384.495 3.798 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246964711 1037786964 /nfs/dbraw/zinc/78/69/64/1037786964.db2.gz MSZCSRNOXREELN-PXNSSMCTSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246964711 1037786982 /nfs/dbraw/zinc/78/69/82/1037786982.db2.gz MSZCSRNOXREELN-PXNSSMCTSA-N 1 3 376.516 3.810 20 0 GHADHO C[C@@H]1CN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H](C)CN1Cc1ccccc1 ZINC001246984580 1037809678 /nfs/dbraw/zinc/80/96/78/1037809678.db2.gz MHWIQZXXBUXKGR-KZKYLIHBSA-N 1 3 377.576 3.945 20 0 GHADHO COC(=O)c1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001232705761 1038505610 /nfs/dbraw/zinc/50/56/10/1038505610.db2.gz AUQHXFSQHAEDNN-RTWAWAEBSA-N 1 3 396.506 3.956 20 0 GHADHO COC(=O)c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001232705761 1038505614 /nfs/dbraw/zinc/50/56/14/1038505614.db2.gz AUQHXFSQHAEDNN-RTWAWAEBSA-N 1 3 396.506 3.956 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2cc(O)cc(OC)c2)CC3)c1 ZINC001232802789 1038565799 /nfs/dbraw/zinc/56/57/99/1038565799.db2.gz LARHREIDUXJQKC-UHFFFAOYSA-N 1 3 396.531 3.898 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2cc(O)cc(OC)c2)CC3)c1 ZINC001232802789 1038565806 /nfs/dbraw/zinc/56/58/06/1038565806.db2.gz LARHREIDUXJQKC-UHFFFAOYSA-N 1 3 396.531 3.898 20 0 GHADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC001462296818 1070153284 /nfs/dbraw/zinc/15/32/84/1070153284.db2.gz FZTTZJFLRMQJJS-PMACEKPBSA-N 1 3 375.557 3.628 20 0 GHADHO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462339822 1070183636 /nfs/dbraw/zinc/18/36/36/1070183636.db2.gz SFXSVXQERMQCDQ-WMAFBANVSA-N 1 3 387.543 3.872 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352029 1039563873 /nfs/dbraw/zinc/56/38/73/1039563873.db2.gz UDIQZGGVELMLHQ-NHCUHLMSSA-N 1 3 390.474 3.968 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352029 1039563881 /nfs/dbraw/zinc/56/38/81/1039563881.db2.gz UDIQZGGVELMLHQ-NHCUHLMSSA-N 1 3 390.474 3.968 20 0 GHADHO O[C@H](CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001253360458 1039572755 /nfs/dbraw/zinc/57/27/55/1039572755.db2.gz GDGPERISXTVDPH-SXWKCWPCSA-N 1 3 386.486 3.842 20 0 GHADHO O[C@H](CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001253360458 1039572769 /nfs/dbraw/zinc/57/27/69/1039572769.db2.gz GDGPERISXTVDPH-SXWKCWPCSA-N 1 3 386.486 3.842 20 0 GHADHO OC1(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC001254042216 1039971262 /nfs/dbraw/zinc/97/12/62/1039971262.db2.gz BIOZTGLBTHEDJY-QHCPKHFHSA-N 1 3 382.523 3.860 20 0 GHADHO OC1(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC001254042216 1039971264 /nfs/dbraw/zinc/97/12/64/1039971264.db2.gz BIOZTGLBTHEDJY-QHCPKHFHSA-N 1 3 382.523 3.860 20 0 GHADHO OC1(C[NH2+][C@@H](c2cncc(Cl)c2)C2CC2)CCN(Cc2ccccc2)CC1 ZINC001254052392 1039976599 /nfs/dbraw/zinc/97/65/99/1039976599.db2.gz GCIYYLWRVKUYKJ-OAQYLSRUSA-N 1 3 385.939 3.803 20 0 GHADHO FC(F)(F)Oc1ccc(Br)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC001235104983 1040592453 /nfs/dbraw/zinc/59/24/53/1040592453.db2.gz ZCGCEMDZLRJRBK-UHFFFAOYSA-N 1 3 393.247 3.923 20 0 GHADHO CCOC(=O)c1ncc(CNCCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001462476370 1070286469 /nfs/dbraw/zinc/28/64/69/1070286469.db2.gz KLBDSUMKEYMPBC-UHFFFAOYSA-N 1 3 387.549 3.712 20 0 GHADHO COc1ccc(CN2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)c1OC ZINC001235161621 1040653632 /nfs/dbraw/zinc/65/36/32/1040653632.db2.gz UCBNNHVUYCHLBR-INIZCTEOSA-N 1 3 397.357 3.820 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)oc2c1 ZINC001235431292 1040932460 /nfs/dbraw/zinc/93/24/60/1040932460.db2.gz NJGKNTGMHVZMIK-KGLIPLIRSA-N 1 3 378.314 3.802 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432220 1040933541 /nfs/dbraw/zinc/93/35/41/1040933541.db2.gz RBLNRHFCPUJXJK-KBPBESRZSA-N 1 3 377.330 3.537 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H](N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001255350059 1040955621 /nfs/dbraw/zinc/95/56/21/1040955621.db2.gz OOUIHJKNMABICT-MJGOQNOKSA-N 1 3 378.944 3.798 20 0 GHADHO Cc1cnc(O[C@H]2CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)nc1 ZINC001255409659 1040997242 /nfs/dbraw/zinc/99/72/42/1040997242.db2.gz KERIKFJWKOAZIE-YADHBBJMSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cnc(O[C@H]2CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)nc1 ZINC001255409659 1040997245 /nfs/dbraw/zinc/99/72/45/1040997245.db2.gz KERIKFJWKOAZIE-YADHBBJMSA-N 1 3 380.536 3.683 20 0 GHADHO COc1cccnc1O[C@H]1CC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409859 1040999904 /nfs/dbraw/zinc/99/99/04/1040999904.db2.gz LWFICUOTWKPENO-SFTDATJTSA-N 1 3 381.520 3.598 20 0 GHADHO COc1cccnc1O[C@H]1CC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409859 1040999908 /nfs/dbraw/zinc/99/99/08/1040999908.db2.gz LWFICUOTWKPENO-SFTDATJTSA-N 1 3 381.520 3.598 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCCN(Cc2ccccc2)CC1 ZINC001235659319 1041111661 /nfs/dbraw/zinc/11/16/61/1041111661.db2.gz PKXAFEWTRIJPOS-UHFFFAOYSA-N 1 3 384.593 3.626 20 0 GHADHO C[NH2+]CC1CCN(Cc2cc(OC)c(OC)c(OCc3ccccc3)c2)CC1 ZINC001235679926 1041140621 /nfs/dbraw/zinc/14/06/21/1041140621.db2.gz OSGLMEXDBKFESA-UHFFFAOYSA-N 1 3 384.520 3.714 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(C)cc2c1CN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235701468 1041179596 /nfs/dbraw/zinc/17/95/96/1041179596.db2.gz IPCCNWFQODFDHT-UHFFFAOYSA-N 1 3 383.536 3.865 20 0 GHADHO Cc1nc(F)ccc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001235812349 1041325843 /nfs/dbraw/zinc/32/58/43/1041325843.db2.gz VIBINPOWUJNBKP-OAQYLSRUSA-N 1 3 383.511 3.785 20 0 GHADHO Cc1nc(F)ccc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001235812349 1041325859 /nfs/dbraw/zinc/32/58/59/1041325859.db2.gz VIBINPOWUJNBKP-OAQYLSRUSA-N 1 3 383.511 3.785 20 0 GHADHO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235834954 1041361904 /nfs/dbraw/zinc/36/19/04/1041361904.db2.gz QRHAZGRKXQOVIW-BWAGFHJFSA-N 1 3 383.580 3.628 20 0 GHADHO COc1cccc(OC)c1CN1CCC(n2ccc3cc(C[NH3+])ccc32)CC1 ZINC001255922961 1041411645 /nfs/dbraw/zinc/41/16/45/1041411645.db2.gz CMRUCNCVURGPKV-UHFFFAOYSA-N 1 3 379.504 3.954 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001255963636 1041443928 /nfs/dbraw/zinc/44/39/28/1041443928.db2.gz SBBDSPBHNAMOAZ-TZIWHRDSSA-N 1 3 394.554 3.735 20 0 GHADHO COCCCN(Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)C1CC[NH2+]CC1 ZINC001235939725 1041446005 /nfs/dbraw/zinc/44/60/05/1041446005.db2.gz IJBFWEFULNZLBO-UHFFFAOYSA-N 1 3 396.531 3.731 20 0 GHADHO COCCC[N@H+](Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)C1CCNCC1 ZINC001235939725 1041446011 /nfs/dbraw/zinc/44/60/11/1041446011.db2.gz IJBFWEFULNZLBO-UHFFFAOYSA-N 1 3 396.531 3.731 20 0 GHADHO COCCC[N@@H+](Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)C1CCNCC1 ZINC001235939725 1041446018 /nfs/dbraw/zinc/44/60/18/1041446018.db2.gz IJBFWEFULNZLBO-UHFFFAOYSA-N 1 3 396.531 3.731 20 0 GHADHO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC001236098488 1041533036 /nfs/dbraw/zinc/53/30/36/1041533036.db2.gz QPIKRZRDFFGERI-FPOVZHCZSA-N 1 3 384.545 3.705 20 0 GHADHO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC001236098488 1041533044 /nfs/dbraw/zinc/53/30/44/1041533044.db2.gz QPIKRZRDFFGERI-FPOVZHCZSA-N 1 3 384.545 3.705 20 0 GHADHO Fc1ccc(CN(Cc2scc3c2OCCO3)CC2CC[NH2+]CC2)cc1 ZINC001236380123 1041690520 /nfs/dbraw/zinc/69/05/20/1041690520.db2.gz FLQMXTBRIQKYBK-UHFFFAOYSA-N 1 3 376.497 3.660 20 0 GHADHO Fc1cnc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)nc1C1CC[NH2+]CC1 ZINC001236472220 1041731181 /nfs/dbraw/zinc/73/11/81/1041731181.db2.gz YACKDYADBDJABV-UXHICEINSA-N 1 3 378.495 3.903 20 0 GHADHO O=C(c1ccccc1F)C1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001236614843 1041782681 /nfs/dbraw/zinc/78/26/81/1041782681.db2.gz CNXMWTXLPVLLJY-UHFFFAOYSA-N 1 3 391.490 3.979 20 0 GHADHO [NH3+][C@H]1CCC12CCN(Cc1c(Br)cccc1OC(F)F)CC2 ZINC001237360193 1042169227 /nfs/dbraw/zinc/16/92/27/1042169227.db2.gz UTBWKVNZNFDDJC-AWEZNQCLSA-N 1 3 375.257 3.754 20 0 GHADHO CN1CC2(C1)CC[NH+](Cc1ccc3c(c1)N(C(=O)OC(C)(C)C)CCC3)CC2 ZINC001237722125 1042342289 /nfs/dbraw/zinc/34/22/89/1042342289.db2.gz RTDAHXJGJZODCN-UHFFFAOYSA-N 1 3 385.552 3.902 20 0 GHADHO C[C@H]1C[C@@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256539667 1043487376 /nfs/dbraw/zinc/48/73/76/1043487376.db2.gz DIQUNKQJDSFUEG-URXFXBBRSA-N 1 3 390.575 3.642 20 0 GHADHO C[C@H]1C[C@@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256539667 1043487385 /nfs/dbraw/zinc/48/73/85/1043487385.db2.gz DIQUNKQJDSFUEG-URXFXBBRSA-N 1 3 390.575 3.642 20 0 GHADHO CC(C)(C)[NH+]1CCC(N2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CC1 ZINC001256571352 1043544591 /nfs/dbraw/zinc/54/45/91/1043544591.db2.gz YGDDKQMUTONTSL-QRTHJKPMSA-N 1 3 387.543 3.985 20 0 GHADHO Brc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CCO2 ZINC001256676992 1043616777 /nfs/dbraw/zinc/61/67/77/1043616777.db2.gz JUXWEHYTDXJEKJ-HTWSVDAQSA-N 1 3 395.341 3.506 20 0 GHADHO C[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(F)cc1Br ZINC001256681004 1043619685 /nfs/dbraw/zinc/61/96/85/1043619685.db2.gz IARFDKQOMCEBLQ-JEYLPNPQSA-N 1 3 385.321 3.882 20 0 GHADHO CC[N@H+](Cc1cccc(Br)c1)C1CCC(N2CCOCC2)CC1 ZINC001256696218 1043627148 /nfs/dbraw/zinc/62/71/48/1043627148.db2.gz YJWXYAABPKXCHE-UHFFFAOYSA-N 1 3 381.358 3.914 20 0 GHADHO CC[N@@H+](Cc1cccc(Br)c1)C1CCC(N2CCOCC2)CC1 ZINC001256696218 1043627152 /nfs/dbraw/zinc/62/71/52/1043627152.db2.gz YJWXYAABPKXCHE-UHFFFAOYSA-N 1 3 381.358 3.914 20 0 GHADHO c1cc(N2CC[NH+](C3CCC(C4CCC5(CC4)OCCO5)CC3)CC2)ccn1 ZINC001257493328 1044019018 /nfs/dbraw/zinc/01/90/18/1044019018.db2.gz KPWLJVWRBTUQED-UHFFFAOYSA-N 1 3 385.552 3.696 20 0 GHADHO c1cc(N2CCN(C3CCC(C4CCC5(CC4)OCCO5)CC3)CC2)cc[nH+]1 ZINC001257493328 1044019031 /nfs/dbraw/zinc/01/90/31/1044019031.db2.gz KPWLJVWRBTUQED-UHFFFAOYSA-N 1 3 385.552 3.696 20 0 GHADHO CCCN1C[C@@H]2C[N@H+](C3CCC(C4CCC5(CC4)OCCO5)CC3)C[C@@H]2C1 ZINC001257497616 1044023488 /nfs/dbraw/zinc/02/34/88/1044023488.db2.gz KLGCSCCLMDFNAK-IZQOUKSCSA-N 1 3 376.585 3.752 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+](C3CCC(C4CCC5(CC4)OCCO5)CC3)C[C@@H]2C1 ZINC001257497616 1044023497 /nfs/dbraw/zinc/02/34/97/1044023497.db2.gz KLGCSCCLMDFNAK-IZQOUKSCSA-N 1 3 376.585 3.752 20 0 GHADHO O=C(c1ccccc1)N1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001258641343 1044683654 /nfs/dbraw/zinc/68/36/54/1044683654.db2.gz KMKREBOZFRGWLV-HXUWFJFHSA-N 1 3 381.564 3.702 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC(C)(C)C1 ZINC001258688023 1044714143 /nfs/dbraw/zinc/71/41/43/1044714143.db2.gz XFIKXGSTOGYWNZ-HLAWJBBLSA-N 1 3 385.596 3.606 20 0 GHADHO COc1cc(C[C@H](C)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(OC)c1OC ZINC001258862175 1044802508 /nfs/dbraw/zinc/80/25/08/1044802508.db2.gz PWLCPZWMWLXOIQ-FUHWJXTLSA-N 1 3 376.541 3.640 20 0 GHADHO COc1cc(C[C@H](C)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc(OC)c1OC ZINC001258862175 1044802526 /nfs/dbraw/zinc/80/25/26/1044802526.db2.gz PWLCPZWMWLXOIQ-FUHWJXTLSA-N 1 3 376.541 3.640 20 0 GHADHO CCCC[NH+]1CCC(N(C)[C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC001258875303 1044819877 /nfs/dbraw/zinc/81/98/77/1044819877.db2.gz AQUYBLBVWOJMKC-KRWDZBQOSA-N 1 3 378.557 3.840 20 0 GHADHO O=C(Nc1cccc2c1CNC2)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001263186104 1046626129 /nfs/dbraw/zinc/62/61/29/1046626129.db2.gz SEJIJRBHSNHJAH-XZOQPEGZSA-N 1 3 398.510 3.539 20 0 GHADHO O=C(Nc1cccc2c1CNC2)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001263186104 1046626133 /nfs/dbraw/zinc/62/61/33/1046626133.db2.gz SEJIJRBHSNHJAH-XZOQPEGZSA-N 1 3 398.510 3.539 20 0 GHADHO Brc1ccoc1CN1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279132811 1047728091 /nfs/dbraw/zinc/72/80/91/1047728091.db2.gz OZIGQNPKVACJAW-GASCZTMLSA-N 1 3 378.314 3.714 20 0 GHADHO Brc1ccoc1CN1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279132811 1047728096 /nfs/dbraw/zinc/72/80/96/1047728096.db2.gz OZIGQNPKVACJAW-GASCZTMLSA-N 1 3 378.314 3.714 20 0 GHADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3scc(C)c3Cl)(C1)C2 ZINC001279877538 1047978423 /nfs/dbraw/zinc/97/84/23/1047978423.db2.gz UCAYWKVBMCPVKU-UHFFFAOYSA-N 1 3 383.989 3.522 20 0 GHADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccc3nc(Br)sc3c1)CC2 ZINC001280267349 1048152195 /nfs/dbraw/zinc/15/21/95/1048152195.db2.gz BXMGQUBSRHUTRK-UHFFFAOYSA-N 1 3 380.355 3.977 20 0 GHADHO C[N@H+]1CCC2(C1)CCN(Cc1ccc3nc(Br)sc3c1)CC2 ZINC001280267349 1048152201 /nfs/dbraw/zinc/15/22/01/1048152201.db2.gz BXMGQUBSRHUTRK-UHFFFAOYSA-N 1 3 380.355 3.977 20 0 GHADHO COC(=O)C[C@H]1CCCN1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597734 1049435617 /nfs/dbraw/zinc/43/56/17/1049435617.db2.gz KFMLCNISAROEHY-XZOQPEGZSA-N 1 3 380.532 3.930 20 0 GHADHO COC(=O)C[C@H]1CCCN1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597734 1049435621 /nfs/dbraw/zinc/43/56/21/1049435621.db2.gz KFMLCNISAROEHY-XZOQPEGZSA-N 1 3 380.532 3.930 20 0 GHADHO Cc1nn(C(C)C)c(C)c1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC001308208063 1049913008 /nfs/dbraw/zinc/91/30/08/1049913008.db2.gz SRPVCIIIGXPNAH-UHFFFAOYSA-N 1 3 397.611 3.768 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001308329485 1049949920 /nfs/dbraw/zinc/94/99/20/1049949920.db2.gz AVAHCJCVFMGUOJ-ZEQRLZLVSA-N 1 3 398.522 3.872 20 0 GHADHO CCOc1cc(CN2CCC(C[NH+](CC)CC)CC2)ccc1OC(=O)CC ZINC001308606087 1050028709 /nfs/dbraw/zinc/02/87/09/1050028709.db2.gz XRSNLBJJGFNRDB-UHFFFAOYSA-N 1 3 376.541 3.955 20 0 GHADHO CC(C)(C)OC(=O)C1CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001308635794 1050042598 /nfs/dbraw/zinc/04/25/98/1050042598.db2.gz SRQSFHSAFYURBT-RGCMJDONSA-N 1 3 384.564 3.997 20 0 GHADHO CC(C)(C)OC(=O)C1CC(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001308635794 1050042603 /nfs/dbraw/zinc/04/26/03/1050042603.db2.gz SRQSFHSAFYURBT-RGCMJDONSA-N 1 3 384.564 3.997 20 0 GHADHO CC(C)(C)OC(=O)C1CC(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001308635794 1050042606 /nfs/dbraw/zinc/04/26/06/1050042606.db2.gz SRQSFHSAFYURBT-RGCMJDONSA-N 1 3 384.564 3.997 20 0 GHADHO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308730068 1050073691 /nfs/dbraw/zinc/07/36/91/1050073691.db2.gz ONKBMZZSSSYRDE-XUZZJYLKSA-N 1 3 387.612 3.577 20 0 GHADHO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308730068 1050073694 /nfs/dbraw/zinc/07/36/94/1050073694.db2.gz ONKBMZZSSSYRDE-XUZZJYLKSA-N 1 3 387.612 3.577 20 0 GHADHO CC[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(OC)c(OC)c1 ZINC001333464474 1051746364 /nfs/dbraw/zinc/74/63/64/1051746364.db2.gz CZCOZCPCVALLMC-JOCHJYFZSA-N 1 3 397.563 3.692 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC001311492661 1052199446 /nfs/dbraw/zinc/19/94/46/1052199446.db2.gz DDMNMCWIYSFSFX-PMACEKPBSA-N 1 3 398.595 3.687 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC001311492661 1052199451 /nfs/dbraw/zinc/19/94/51/1052199451.db2.gz DDMNMCWIYSFSFX-PMACEKPBSA-N 1 3 398.595 3.687 20 0 GHADHO CCCN(C(=O)N[C@@H](C)C[NH+](CC)CC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001311749534 1052373827 /nfs/dbraw/zinc/37/38/27/1052373827.db2.gz LZWAFKVBNJKNJS-UNMCSNQZSA-N 1 3 388.600 3.803 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001300646916 1056763558 /nfs/dbraw/zinc/76/35/58/1056763558.db2.gz NCWGXBQWOFXBQY-ILWGZMRPSA-N 1 3 387.612 3.985 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001300646916 1056763569 /nfs/dbraw/zinc/76/35/69/1056763569.db2.gz NCWGXBQWOFXBQY-ILWGZMRPSA-N 1 3 387.612 3.985 20 0 GHADHO [NH2+]=C(NCc1cc(-c2ccccc2)no1)NC1CCN(Cc2ccccc2)CC1 ZINC000849065785 1057575836 /nfs/dbraw/zinc/57/58/36/1057575836.db2.gz YZYYFJXTFVJDBL-UHFFFAOYSA-N 1 3 389.503 3.620 20 0 GHADHO CC(C)c1ccc(OCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849071376 1057580698 /nfs/dbraw/zinc/58/06/98/1057580698.db2.gz MYYVJQUUWHYEGE-UHFFFAOYSA-N 1 3 394.563 3.967 20 0 GHADHO C[S@@](=O)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1 ZINC001327211100 1057622173 /nfs/dbraw/zinc/62/21/73/1057622173.db2.gz VHZAUXYBVAMZSD-KDYSTLNUSA-N 1 3 382.573 3.816 20 0 GHADHO CN(C(=O)CCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC001338408285 1058552515 /nfs/dbraw/zinc/55/25/15/1058552515.db2.gz NUOASYVOKIBUCP-OAQYLSRUSA-N 1 3 393.531 3.617 20 0 GHADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c2cccs2)CC1 ZINC001338886091 1058857234 /nfs/dbraw/zinc/85/72/34/1058857234.db2.gz GUGRRHFEVTYFFW-CEXWTWQISA-N 1 3 392.613 3.693 20 0 GHADHO CCCN(C(=O)c1ccc2c(c1)CNC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001341403856 1060649233 /nfs/dbraw/zinc/64/92/33/1060649233.db2.gz JRKDUZIKKJXKQS-UHFFFAOYSA-N 1 3 377.532 3.807 20 0 GHADHO COCc1c(C)cc(C)c(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)c1C ZINC001200046801 1065068531 /nfs/dbraw/zinc/06/85/31/1065068531.db2.gz XJPSFUCKMXSGHU-UHFFFAOYSA-N 1 3 395.591 3.795 20 0 GHADHO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CN(C)CCc1ccccc1 ZINC001464560432 1065081686 /nfs/dbraw/zinc/08/16/86/1065081686.db2.gz LMEHWBSULYPXBG-UHFFFAOYSA-N 1 3 397.588 3.657 20 0 GHADHO C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC001467297821 1067208095 /nfs/dbraw/zinc/20/80/95/1067208095.db2.gz BBSOSMPSFLXUDQ-TUACAJSNSA-N 1 3 393.575 3.749 20 0 GHADHO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC001467297821 1067208109 /nfs/dbraw/zinc/20/81/09/1067208109.db2.gz BBSOSMPSFLXUDQ-TUACAJSNSA-N 1 3 393.575 3.749 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H]3CCCN4C)cc2)C1 ZINC001467605150 1067382288 /nfs/dbraw/zinc/38/22/88/1067382288.db2.gz FEWLMIRZODRNBI-YDLSIGKMSA-N 1 3 398.595 3.543 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H]3CCCN4C)cc2)C1 ZINC001467605150 1067382298 /nfs/dbraw/zinc/38/22/98/1067382298.db2.gz FEWLMIRZODRNBI-YDLSIGKMSA-N 1 3 398.595 3.543 20 0 GHADHO [NH2+]=C(NCCCc1c[nH]c2ccccc12)NC1CCN(Cc2ccccc2)CC1 ZINC000849100542 1067727658 /nfs/dbraw/zinc/72/76/58/1067727658.db2.gz HDFWGWBMFXGCOR-UHFFFAOYSA-N 1 3 389.547 3.879 20 0 GHADHO CCOc1ccc([C@@H]2C[C@H]2NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849105648 1067730702 /nfs/dbraw/zinc/73/07/02/1067730702.db2.gz PTYYXKMHZIZXPI-XZOQPEGZSA-N 1 3 392.547 3.720 20 0 GHADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001469706618 1068325503 /nfs/dbraw/zinc/32/55/03/1068325503.db2.gz JEIXGTMFSDFWEP-IRLDBZIGSA-N 1 3 388.600 3.516 20 0 GHADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001469706452 1068326399 /nfs/dbraw/zinc/32/63/99/1068326399.db2.gz CPKJWHISFOMLRC-RCZSKKKRSA-N 1 3 388.600 3.517 20 0 GHADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001469706452 1068326404 /nfs/dbraw/zinc/32/64/04/1068326404.db2.gz CPKJWHISFOMLRC-RCZSKKKRSA-N 1 3 388.600 3.517 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC3CC[NH+](C4CCC4)CC3)CC2)CC1 ZINC001470185322 1068614756 /nfs/dbraw/zinc/61/47/56/1068614756.db2.gz XMFYZIOPEBHUIS-UHFFFAOYSA-N 1 3 390.616 3.545 20 0 GHADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187810 1068846556 /nfs/dbraw/zinc/84/65/56/1068846556.db2.gz TVTPYHVTRPADCG-QXAKKESOSA-N 1 3 381.358 3.679 20 0 GHADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187810 1068846571 /nfs/dbraw/zinc/84/65/71/1068846571.db2.gz TVTPYHVTRPADCG-QXAKKESOSA-N 1 3 381.358 3.679 20 0 GHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187810 1068846576 /nfs/dbraw/zinc/84/65/76/1068846576.db2.gz TVTPYHVTRPADCG-QXAKKESOSA-N 1 3 381.358 3.679 20 0 GHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187810 1068846590 /nfs/dbraw/zinc/84/65/90/1068846590.db2.gz TVTPYHVTRPADCG-QXAKKESOSA-N 1 3 381.358 3.679 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC001470413590 1072539153 /nfs/dbraw/zinc/53/91/53/1072539153.db2.gz BTLNEQZCXWVXOI-NRFANRHFSA-N 1 3 390.616 3.717 20 0 GHADHO COc1cccc([C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2)c1 ZINC001473739005 1074117080 /nfs/dbraw/zinc/11/70/80/1074117080.db2.gz NDTMFTAMTSCQLX-DEOSSOPVSA-N 1 3 379.548 3.828 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC001473935856 1074210816 /nfs/dbraw/zinc/21/08/16/1074210816.db2.gz GADAPTNHWBBHFR-RCZVLFRGSA-N 1 3 399.623 3.899 20 0 GHADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC001473938970 1074212184 /nfs/dbraw/zinc/21/21/84/1074212184.db2.gz HLRPJPYNIKPXMV-UHFFFAOYSA-N 1 3 395.591 3.767 20 0 GHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCc1cccc(CN2CCOCC2)c1 ZINC001473938970 1074212188 /nfs/dbraw/zinc/21/21/88/1074212188.db2.gz HLRPJPYNIKPXMV-UHFFFAOYSA-N 1 3 395.591 3.767 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1cccc(CN2CCOCC2)c1 ZINC001473938970 1074212196 /nfs/dbraw/zinc/21/21/96/1074212196.db2.gz HLRPJPYNIKPXMV-UHFFFAOYSA-N 1 3 395.591 3.767 20 0 GHADHO COc1cccc(Sc2ccccc2C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC001474125332 1074269999 /nfs/dbraw/zinc/26/99/99/1074269999.db2.gz HLLNZVZLAFVLMT-UHFFFAOYSA-N 1 3 399.604 3.962 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(C)nc2C2CCOCC2)CC1 ZINC001474374391 1074371160 /nfs/dbraw/zinc/37/11/60/1074371160.db2.gz QFZFXZOPRNKZPV-LJQANCHMSA-N 1 3 388.600 3.791 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C)nc2C2CCOCC2)CC1 ZINC001474374391 1074371163 /nfs/dbraw/zinc/37/11/63/1074371163.db2.gz QFZFXZOPRNKZPV-LJQANCHMSA-N 1 3 388.600 3.791 20 0 GHADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505145 1074436346 /nfs/dbraw/zinc/43/63/46/1074436346.db2.gz PTCMVTKFXNVHFJ-JPSKQPRPSA-N 1 3 377.573 3.581 20 0 GHADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505145 1074436350 /nfs/dbraw/zinc/43/63/50/1074436350.db2.gz PTCMVTKFXNVHFJ-JPSKQPRPSA-N 1 3 377.573 3.581 20 0 GHADHO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C)[NH+](C)C ZINC001496633602 1079476678 /nfs/dbraw/zinc/47/66/78/1079476678.db2.gz YLNSKIBRZSPUFP-NSHGMRRFSA-N 1 3 392.636 3.687 20 0 GHADHO C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824953259 609154978 /nfs/dbraw/zinc/15/49/78/609154978.db2.gz DAOUAFFBBXFYSV-FAEJEUNOSA-N 1 3 386.519 3.700 20 0 GHADHO C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824953259 609154980 /nfs/dbraw/zinc/15/49/80/609154980.db2.gz DAOUAFFBBXFYSV-FAEJEUNOSA-N 1 3 386.519 3.700 20 0 GHADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000685922501 837447995 /nfs/dbraw/zinc/44/79/95/837447995.db2.gz XBTDLWNWJCTBMK-MSOLQXFVSA-N 1 3 380.602 3.549 20 0 GHADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000685922501 837448000 /nfs/dbraw/zinc/44/80/00/837448000.db2.gz XBTDLWNWJCTBMK-MSOLQXFVSA-N 1 3 380.602 3.549 20 0 GHADHO O[C@@H](COc1ccc(Cl)cc1)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889679 837500664 /nfs/dbraw/zinc/50/06/64/837500664.db2.gz KVEACBMNNKOWHT-HXUWFJFHSA-N 1 3 380.960 3.668 20 0 GHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OC)c(OC)c1 ZINC000090524976 834615547 /nfs/dbraw/zinc/61/55/47/834615547.db2.gz TVKDLJFYKBTXTR-ZCNNSNEGSA-N 1 3 376.541 3.512 20 0 GHADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OC)c(OC)c1 ZINC000090524986 834615616 /nfs/dbraw/zinc/61/56/16/834615616.db2.gz TVKDLJFYKBTXTR-UFYCRDLUSA-N 1 3 376.541 3.512 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000728570433 834746029 /nfs/dbraw/zinc/74/60/29/834746029.db2.gz KSSPKKHQBJFCOM-QHCPKHFHSA-N 1 3 398.547 3.581 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000728570433 834746037 /nfs/dbraw/zinc/74/60/37/834746037.db2.gz KSSPKKHQBJFCOM-QHCPKHFHSA-N 1 3 398.547 3.581 20 0 GHADHO COc1ccccc1O[C@@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000685446539 835019613 /nfs/dbraw/zinc/01/96/13/835019613.db2.gz VNFZXKSMJJYFNX-OAQYLSRUSA-N 1 3 384.520 3.679 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(OC)c(OC)c2)CC1 ZINC000151305198 835369090 /nfs/dbraw/zinc/36/90/90/835369090.db2.gz NASFJZUOFJPIBV-UHFFFAOYSA-N 1 3 383.536 3.526 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047302577 835742989 /nfs/dbraw/zinc/74/29/89/835742989.db2.gz FFKIRQJJHHEQBV-OAQYLSRUSA-N 1 3 397.588 3.913 20 0 GHADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000584219897 835770203 /nfs/dbraw/zinc/77/02/03/835770203.db2.gz RVMLGLKCBNONQC-GMAHTHKFSA-N 1 3 382.552 3.714 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657837362 835819979 /nfs/dbraw/zinc/81/99/79/835819979.db2.gz YPOWQOXUHKJNLR-SFHVURJKSA-N 1 3 385.552 3.535 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000154861210 836082580 /nfs/dbraw/zinc/08/25/80/836082580.db2.gz WZYXJQZKHQDUBG-QGZVFWFLSA-N 1 3 389.565 3.749 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000154861210 836082590 /nfs/dbraw/zinc/08/25/90/836082590.db2.gz WZYXJQZKHQDUBG-QGZVFWFLSA-N 1 3 389.565 3.749 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548481423 844131319 /nfs/dbraw/zinc/13/13/19/844131319.db2.gz FATUSADZLLHWGV-DFQSSKMNSA-N 1 3 397.950 3.946 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000180641312 836234841 /nfs/dbraw/zinc/23/48/41/836234841.db2.gz VETROZUYYWFJQB-YWZLYKJASA-N 1 3 389.337 3.867 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000180641312 836234852 /nfs/dbraw/zinc/23/48/52/836234852.db2.gz VETROZUYYWFJQB-YWZLYKJASA-N 1 3 389.337 3.867 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000509897725 844149270 /nfs/dbraw/zinc/14/92/70/844149270.db2.gz HGYYPTJWFSCYRE-QGZVFWFLSA-N 1 3 379.504 3.796 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000509897725 844149275 /nfs/dbraw/zinc/14/92/75/844149275.db2.gz HGYYPTJWFSCYRE-QGZVFWFLSA-N 1 3 379.504 3.796 20 0 GHADHO C[C@H](NCc1cccc(N2CCCC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000155275470 836727039 /nfs/dbraw/zinc/72/70/39/836727039.db2.gz ZHLKKCCXLGJXOR-SFHVURJKSA-N 1 3 381.520 3.605 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@@H]3CCSc4ccccc43)cc2)CC1 ZINC000414324093 837111356 /nfs/dbraw/zinc/11/13/56/837111356.db2.gz JXZQSUSULFNCKU-OAQYLSRUSA-N 1 3 395.572 3.711 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@@H]3CCc4ccc(Cl)cc43)cc2)CC1 ZINC000414330741 837166511 /nfs/dbraw/zinc/16/65/11/837166511.db2.gz SJAPHXJDFMPCHX-JOCHJYFZSA-N 1 3 397.950 3.814 20 0 GHADHO Brc1ccc(/C=C/CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655772773 837845094 /nfs/dbraw/zinc/84/50/94/837845094.db2.gz MMUZSOHMXXPQFT-VUQTYRPGSA-N 1 3 379.342 3.695 20 0 GHADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000579949484 837959656 /nfs/dbraw/zinc/95/96/56/837959656.db2.gz QENQIRCMSAJFLR-WOJBJXKFSA-N 1 3 397.567 3.601 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000415901549 838248581 /nfs/dbraw/zinc/24/85/81/838248581.db2.gz BZOGRYRPQKXVHQ-UHFFFAOYSA-N 1 3 380.536 3.924 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000415930787 838279998 /nfs/dbraw/zinc/27/99/98/838279998.db2.gz JOPWKDPNRWVTNQ-LJQANCHMSA-N 1 3 380.536 3.782 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000415954677 838316121 /nfs/dbraw/zinc/31/61/21/838316121.db2.gz MIMHFQRUFIVCLO-UHFFFAOYSA-N 1 3 380.536 3.755 20 0 GHADHO [NH3+]Cc1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000415974061 838332532 /nfs/dbraw/zinc/33/25/32/838332532.db2.gz RBVZMXKJNWHVAO-KRWDZBQOSA-N 1 3 392.425 3.560 20 0 GHADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc1 ZINC000415983529 838362924 /nfs/dbraw/zinc/36/29/24/838362924.db2.gz NTZMVIMWNHBINW-NRFANRHFSA-N 1 3 384.524 3.618 20 0 GHADHO CC(C)[N@H+](C)CC1CCN([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405471 838692195 /nfs/dbraw/zinc/69/21/95/838692195.db2.gz SPHZRSZJQYKFCX-UTKZUKDTSA-N 1 3 375.532 3.540 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405471 838692197 /nfs/dbraw/zinc/69/21/97/838692197.db2.gz SPHZRSZJQYKFCX-UTKZUKDTSA-N 1 3 375.532 3.540 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000458163078 844380284 /nfs/dbraw/zinc/38/02/84/844380284.db2.gz NJVDXHDIGROGIG-FQEVSTJZSA-N 1 3 392.613 3.575 20 0 GHADHO CCCOc1c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cccc1OCC ZINC000415100816 839206518 /nfs/dbraw/zinc/20/65/18/839206518.db2.gz AMQSTMLIJRSGGW-TZIWHRDSSA-N 1 3 376.541 3.592 20 0 GHADHO CCCCOc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415128920 839255149 /nfs/dbraw/zinc/25/51/49/839255149.db2.gz SSQXJLUURNEWQE-CTNGQTDRSA-N 1 3 376.541 3.592 20 0 GHADHO Cc1cccc(C(C)(C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000580357300 839379553 /nfs/dbraw/zinc/37/95/53/839379553.db2.gz ASUYPXBZRJCXNL-UHFFFAOYSA-N 1 3 393.575 3.909 20 0 GHADHO COC[C@H](NCC1(SC)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000580606379 839893913 /nfs/dbraw/zinc/89/39/13/839893913.db2.gz YGZVPVSJLXHYNY-INIZCTEOSA-N 1 3 376.488 3.810 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000580670273 839985973 /nfs/dbraw/zinc/98/59/73/839985973.db2.gz VZTJZXHEMUZEJQ-NRFANRHFSA-N 1 3 388.600 3.580 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000580670273 839985984 /nfs/dbraw/zinc/98/59/84/839985984.db2.gz VZTJZXHEMUZEJQ-NRFANRHFSA-N 1 3 388.600 3.580 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759849980 840186821 /nfs/dbraw/zinc/18/68/21/840186821.db2.gz KNNSUQSVAVSQDC-HXUWFJFHSA-N 1 3 386.939 3.583 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759849980 840186829 /nfs/dbraw/zinc/18/68/29/840186829.db2.gz KNNSUQSVAVSQDC-HXUWFJFHSA-N 1 3 386.939 3.583 20 0 GHADHO COCCOCc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000582094294 840252423 /nfs/dbraw/zinc/25/24/23/840252423.db2.gz DRWMRCCIJVXZDM-RPBOFIJWSA-N 1 3 394.559 3.804 20 0 GHADHO COCCOCc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000582094294 840252435 /nfs/dbraw/zinc/25/24/35/840252435.db2.gz DRWMRCCIJVXZDM-RPBOFIJWSA-N 1 3 394.559 3.804 20 0 GHADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000108929798 840301587 /nfs/dbraw/zinc/30/15/87/840301587.db2.gz UMANHUDNEXLIMI-LJQANCHMSA-N 1 3 398.595 3.555 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511661415 840360749 /nfs/dbraw/zinc/36/07/49/840360749.db2.gz DFSYQYVJGFCUFM-LEWJYISDSA-N 1 3 397.588 3.913 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511661415 840360760 /nfs/dbraw/zinc/36/07/60/840360760.db2.gz DFSYQYVJGFCUFM-LEWJYISDSA-N 1 3 397.588 3.913 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c2ccccc2)CC1 ZINC000417209569 840599157 /nfs/dbraw/zinc/59/91/57/840599157.db2.gz CFJLRUNQMFUVPA-DHIUTWEWSA-N 1 3 398.595 3.633 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)N2CCCC2)cc1 ZINC000417352873 840758125 /nfs/dbraw/zinc/75/81/25/840758125.db2.gz HKNARFATIJDVDQ-FGZHOGPDSA-N 1 3 398.595 3.552 20 0 GHADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581208222 840851494 /nfs/dbraw/zinc/85/14/94/840851494.db2.gz KFFFKALONPOIBW-HKUYNNGSSA-N 1 3 385.939 3.713 20 0 GHADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000581208222 840851504 /nfs/dbraw/zinc/85/15/04/840851504.db2.gz KFFFKALONPOIBW-HKUYNNGSSA-N 1 3 385.939 3.713 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000660338893 841450569 /nfs/dbraw/zinc/45/05/69/841450569.db2.gz MOOSPVXSVYLDFA-AZUAARDMSA-N 1 3 392.613 3.552 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000660338893 841450577 /nfs/dbraw/zinc/45/05/77/841450577.db2.gz MOOSPVXSVYLDFA-AZUAARDMSA-N 1 3 392.613 3.552 20 0 GHADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)CCCN(C)Cc2ccco2)cc1 ZINC000418343378 841863376 /nfs/dbraw/zinc/86/33/76/841863376.db2.gz FXQOUSGUFISZJR-NRFANRHFSA-N 1 3 386.540 3.566 20 0 GHADHO C[N@@H+]1CCC[C@@H](N2CCN(CCCCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000684359712 841886932 /nfs/dbraw/zinc/88/69/32/841886932.db2.gz HDADZDMRZCCOJX-HXUWFJFHSA-N 1 3 383.502 3.740 20 0 GHADHO C[N@H+]1CCC[C@@H](N2CCN(CCCCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000684359712 841886944 /nfs/dbraw/zinc/88/69/44/841886944.db2.gz HDADZDMRZCCOJX-HXUWFJFHSA-N 1 3 383.502 3.740 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000652361915 842370053 /nfs/dbraw/zinc/37/00/53/842370053.db2.gz SJMFHFVPBIGEJJ-NSISKUIASA-N 1 3 375.900 3.856 20 0 GHADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC000432403781 842382493 /nfs/dbraw/zinc/38/24/93/842382493.db2.gz BYNYEYXRPHZPKP-CABCVRRESA-N 1 3 385.346 3.609 20 0 GHADHO COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1Br ZINC000432403781 842382504 /nfs/dbraw/zinc/38/25/04/842382504.db2.gz BYNYEYXRPHZPKP-CABCVRRESA-N 1 3 385.346 3.609 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512182989 842808133 /nfs/dbraw/zinc/80/81/33/842808133.db2.gz SYKQICSJZBUZBW-IRXDYDNUSA-N 1 3 376.589 3.576 20 0 GHADHO [NH3+]CC[C@@H]1CCCN(Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662272791 843042383 /nfs/dbraw/zinc/04/23/83/843042383.db2.gz QFWPPUDCTRAWHP-LBPRGKRZSA-N 1 3 395.263 3.951 20 0 GHADHO Cc1sc([C@H](C)NC[C@H]2CCC3(C[NH2+]C3)O2)nc1-c1ccc(Cl)cc1 ZINC000662281155 843059724 /nfs/dbraw/zinc/05/97/24/843059724.db2.gz IYSVVLIGHWBTBH-BLLLJJGKSA-N 1 3 377.941 3.944 20 0 GHADHO CC1CCN(CCC[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000161786396 843144040 /nfs/dbraw/zinc/14/40/40/843144040.db2.gz SSNZTAJQOSZEKR-UHFFFAOYSA-N 1 3 377.960 3.656 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cc(-c2ccccc2)no1 ZINC000430913989 843173487 /nfs/dbraw/zinc/17/34/87/843173487.db2.gz ZVZVHNMUIGBDKN-UHFFFAOYSA-N 1 3 396.579 3.970 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000165312167 843361962 /nfs/dbraw/zinc/36/19/62/843361962.db2.gz LTDKXZOINONAHN-FPOVZHCZSA-N 1 3 393.531 3.858 20 0 GHADHO CN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418659458 843509730 /nfs/dbraw/zinc/50/97/30/843509730.db2.gz LYJGCBSVTBKZKV-DHIUTWEWSA-N 1 3 394.563 3.773 20 0 GHADHO CCN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418681274 843529912 /nfs/dbraw/zinc/52/99/12/843529912.db2.gz VKDMJOCJAPZRMR-XZOQPEGZSA-N 1 3 394.563 3.773 20 0 GHADHO COc1cc(CN2CC[C@H](OC)C[C@H]2C)cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000433193103 843806634 /nfs/dbraw/zinc/80/66/34/843806634.db2.gz ORCYWKUZOZCBLS-UDKICSLYSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@H](OC)C[C@H]2C)cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000433193103 843806647 /nfs/dbraw/zinc/80/66/47/843806647.db2.gz ORCYWKUZOZCBLS-UDKICSLYSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@H](OC)C[C@@H]2C)cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1 ZINC000433193103 843806661 /nfs/dbraw/zinc/80/66/61/843806661.db2.gz ORCYWKUZOZCBLS-UDKICSLYSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@H](OC)C[C@@H]2C)cc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c1 ZINC000433193103 843806677 /nfs/dbraw/zinc/80/66/77/843806677.db2.gz ORCYWKUZOZCBLS-UDKICSLYSA-N 1 3 390.568 3.694 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1)C(C)C ZINC000500749554 843943075 /nfs/dbraw/zinc/94/30/75/843943075.db2.gz RYMGXDNEKDZPEN-UHFFFAOYSA-N 1 3 382.552 3.516 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1)C(C)C ZINC000500749554 843943078 /nfs/dbraw/zinc/94/30/78/843943078.db2.gz RYMGXDNEKDZPEN-UHFFFAOYSA-N 1 3 382.552 3.516 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513264319 845145465 /nfs/dbraw/zinc/14/54/65/845145465.db2.gz WDRDZWAGMNKJKW-DEOSSOPVSA-N 1 3 391.559 3.679 20 0 GHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000171131121 861542259 /nfs/dbraw/zinc/54/22/59/861542259.db2.gz UJFVRJDAQBXNCA-IBGZPJMESA-N 1 3 395.547 3.995 20 0 GHADHO COc1ccccc1[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248390632 845292981 /nfs/dbraw/zinc/29/29/81/845292981.db2.gz BLOHSYNRYSZXLC-JMJGKCIBSA-N 1 3 380.532 3.619 20 0 GHADHO COc1ccccc1[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248390632 845293009 /nfs/dbraw/zinc/29/30/09/845293009.db2.gz BLOHSYNRYSZXLC-JMJGKCIBSA-N 1 3 380.532 3.619 20 0 GHADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124601 845457514 /nfs/dbraw/zinc/45/75/14/845457514.db2.gz DSQSXPXOORHMGS-NHCUHLMSSA-N 1 3 383.580 3.764 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1O ZINC000582032423 846106736 /nfs/dbraw/zinc/10/67/36/846106736.db2.gz HOKXXKXHAMUHMH-HXUWFJFHSA-N 1 3 397.563 3.649 20 0 GHADHO C[C@H](NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000513666646 846232970 /nfs/dbraw/zinc/23/29/70/846232970.db2.gz MWGVYOHEFRIYAZ-BZSNNMDCSA-N 1 3 393.531 3.825 20 0 GHADHO OC1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1 ZINC000414552444 846563405 /nfs/dbraw/zinc/56/34/05/846563405.db2.gz RFUCRIQRIDDSES-UHFFFAOYSA-N 1 3 396.428 3.961 20 0 GHADHO COC1([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000421857694 846624297 /nfs/dbraw/zinc/62/42/97/846624297.db2.gz POHCSIGKXMOFQM-IFMALSPDSA-N 1 3 386.580 3.853 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccsc1 ZINC000501130733 846661264 /nfs/dbraw/zinc/66/12/64/846661264.db2.gz DNSACZBQDZOAIM-GOSISDBHSA-N 1 3 380.602 3.695 20 0 GHADHO C[C@@H]1CC(N2CC[C@@]3(CCN3c3ncccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044564 861704210 /nfs/dbraw/zinc/70/42/10/861704210.db2.gz FNUJQAOHKGTRHH-YOSAUDMPSA-N 1 3 391.563 3.573 20 0 GHADHO [NH3+]C[C@H]1CN(Cc2ccc(OCc3ccc(F)cc3)cc2)CC12CCOCC2 ZINC000582241804 846713789 /nfs/dbraw/zinc/71/37/89/846713789.db2.gz KKYBNXMMPNZXMY-FQEVSTJZSA-N 1 3 384.495 3.592 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000481559868 861719772 /nfs/dbraw/zinc/71/97/72/861719772.db2.gz HBKBHFKDBFGSDK-UWJYYQICSA-N 1 3 388.531 3.546 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000481559868 861719783 /nfs/dbraw/zinc/71/97/83/861719783.db2.gz HBKBHFKDBFGSDK-UWJYYQICSA-N 1 3 388.531 3.546 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000481559868 861719798 /nfs/dbraw/zinc/71/97/98/861719798.db2.gz HBKBHFKDBFGSDK-UWJYYQICSA-N 1 3 388.531 3.546 20 0 GHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501751813 847156423 /nfs/dbraw/zinc/15/64/23/847156423.db2.gz MLCVMSJORIUFRL-IBGZPJMESA-N 1 3 399.501 3.860 20 0 GHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501751813 847156428 /nfs/dbraw/zinc/15/64/28/847156428.db2.gz MLCVMSJORIUFRL-IBGZPJMESA-N 1 3 399.501 3.860 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501831121 847226561 /nfs/dbraw/zinc/22/65/61/847226561.db2.gz XKUIGQHGZVATGB-RBBKRZOGSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501831121 847226567 /nfs/dbraw/zinc/22/65/67/847226567.db2.gz XKUIGQHGZVATGB-RBBKRZOGSA-N 1 3 386.584 3.777 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361091 847640502 /nfs/dbraw/zinc/64/05/02/847640502.db2.gz LGYPAEINDYUCFU-TYPHKJRUSA-N 1 3 398.551 3.530 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361091 847640508 /nfs/dbraw/zinc/64/05/08/847640508.db2.gz LGYPAEINDYUCFU-TYPHKJRUSA-N 1 3 398.551 3.530 20 0 GHADHO FC(F)(F)c1ccn(-c2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000422721536 847797007 /nfs/dbraw/zinc/79/70/07/847797007.db2.gz OEQKPZYWPIFSHB-RCCFBDPRSA-N 1 3 378.442 3.901 20 0 GHADHO CC(C)C(=O)Nc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422788554 847836970 /nfs/dbraw/zinc/83/69/70/847836970.db2.gz AXBZQHBOYRIIFO-NZQKXSOJSA-N 1 3 379.504 3.627 20 0 GHADHO C[C@H](CCCC[NH3+])N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000422920264 847903208 /nfs/dbraw/zinc/90/32/08/847903208.db2.gz MCJNBFLXNDITJD-VLIAUNLRSA-N 1 3 396.503 3.565 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000422943957 847907344 /nfs/dbraw/zinc/90/73/44/847907344.db2.gz LSLHTQTZOYGRRS-GQUJEBGOSA-N 1 3 393.575 3.879 20 0 GHADHO Clc1ccc(CSCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423020197 847939556 /nfs/dbraw/zinc/93/95/56/847939556.db2.gz ZFQVYPAQLNFQCS-CGTJXYLNSA-N 1 3 389.392 3.973 20 0 GHADHO Clc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423073201 847963533 /nfs/dbraw/zinc/96/35/33/847963533.db2.gz QXSNINCBLHEUFH-OGWHTMIXSA-N 1 3 398.378 3.709 20 0 GHADHO CN(C)[C@H](CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000604156813 861870109 /nfs/dbraw/zinc/87/01/09/861870109.db2.gz CPRNKLFPFAEZKF-XZOQPEGZSA-N 1 3 394.563 3.816 20 0 GHADHO Cn1cc(-c2ccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)s2)cn1 ZINC000657613869 848342769 /nfs/dbraw/zinc/34/27/69/848342769.db2.gz VBFDESLYGMWTAS-UHFFFAOYSA-N 1 3 381.549 3.545 20 0 GHADHO C[C@@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000604184044 861906024 /nfs/dbraw/zinc/90/60/24/861906024.db2.gz FGJAWBHDFSKCAR-RBBKRZOGSA-N 1 3 386.584 3.633 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000604202519 861941662 /nfs/dbraw/zinc/94/16/62/861941662.db2.gz NWJIBEXONIIMNM-DHIUTWEWSA-N 1 3 398.595 3.874 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000604205734 861945480 /nfs/dbraw/zinc/94/54/80/861945480.db2.gz KOHMFANPRKNWPQ-HSZRJFAPSA-N 1 3 398.595 3.731 20 0 GHADHO C[C@H](NCc1ccnc(N2CCCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000162411053 849021420 /nfs/dbraw/zinc/02/14/20/849021420.db2.gz QNZWEHXSYPBJJR-IBGZPJMESA-N 1 3 382.552 3.863 20 0 GHADHO c1ccc2c(c1)CC1(CCOCC1)[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423131406 849753076 /nfs/dbraw/zinc/75/30/76/849753076.db2.gz ZUHABVWAJZODOH-PWWKTKHKSA-N 1 3 390.527 3.926 20 0 GHADHO CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423448067 849922943 /nfs/dbraw/zinc/92/29/43/849922943.db2.gz DQXCETWGVZNTBH-LMMKCTJWSA-N 1 3 384.351 3.681 20 0 GHADHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475027219 862089579 /nfs/dbraw/zinc/08/95/79/862089579.db2.gz GJGAFBQCBYTRKH-PKTZIBPZSA-N 1 3 394.563 3.595 20 0 GHADHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475027219 862089597 /nfs/dbraw/zinc/08/95/97/862089597.db2.gz GJGAFBQCBYTRKH-PKTZIBPZSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000518968225 850420971 /nfs/dbraw/zinc/42/09/71/850420971.db2.gz KPRJOOLINBDUHA-HXUWFJFHSA-N 1 3 394.563 3.602 20 0 GHADHO CC[NH2+]CC1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000435376534 850425203 /nfs/dbraw/zinc/42/52/03/850425203.db2.gz RHQLUPHSURMROA-UHFFFAOYSA-N 1 3 380.458 3.772 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000519295047 850878462 /nfs/dbraw/zinc/87/84/62/850878462.db2.gz BVDFMZRRXQEJPL-HSZRJFAPSA-N 1 3 396.579 3.939 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000434355030 851025714 /nfs/dbraw/zinc/02/57/14/851025714.db2.gz LQYSLUFIBPWVQX-UEVCKROQSA-N 1 3 398.595 3.698 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000434355030 851025722 /nfs/dbraw/zinc/02/57/22/851025722.db2.gz LQYSLUFIBPWVQX-UEVCKROQSA-N 1 3 398.595 3.698 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000514040009 851144073 /nfs/dbraw/zinc/14/40/73/851144073.db2.gz SFKLRTDJLHKJMX-DNVJHFABSA-N 1 3 398.595 3.699 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000514040009 851144082 /nfs/dbraw/zinc/14/40/82/851144082.db2.gz SFKLRTDJLHKJMX-DNVJHFABSA-N 1 3 398.595 3.699 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(F)cc2c1C ZINC000505753951 851190351 /nfs/dbraw/zinc/19/03/51/851190351.db2.gz ATQUZKILXLXEJU-QGZVFWFLSA-N 1 3 391.556 3.837 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000515806533 851496124 /nfs/dbraw/zinc/49/61/24/851496124.db2.gz ZDNKOGSCADLVGA-IBGZPJMESA-N 1 3 392.613 3.647 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000515806533 851496128 /nfs/dbraw/zinc/49/61/28/851496128.db2.gz ZDNKOGSCADLVGA-IBGZPJMESA-N 1 3 392.613 3.647 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)N2CCCC2)cc1 ZINC000488475046 851527237 /nfs/dbraw/zinc/52/72/37/851527237.db2.gz GVSDKAUZPGEXOC-NZQKXSOJSA-N 1 3 398.595 3.648 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)N2CCCC2)cc1 ZINC000488475046 851527248 /nfs/dbraw/zinc/52/72/48/851527248.db2.gz GVSDKAUZPGEXOC-NZQKXSOJSA-N 1 3 398.595 3.648 20 0 GHADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000111240856 851578102 /nfs/dbraw/zinc/57/81/02/851578102.db2.gz WCQSAMWJYSVEQB-OAHLLOKOSA-N 1 3 375.340 3.539 20 0 GHADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000111240856 851578106 /nfs/dbraw/zinc/57/81/06/851578106.db2.gz WCQSAMWJYSVEQB-OAHLLOKOSA-N 1 3 375.340 3.539 20 0 GHADHO C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001167973398 851658259 /nfs/dbraw/zinc/65/82/59/851658259.db2.gz JHZLIVNQJUBHAN-MNIJEXPFSA-N 1 3 377.573 3.769 20 0 GHADHO C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001167973398 851658268 /nfs/dbraw/zinc/65/82/68/851658268.db2.gz JHZLIVNQJUBHAN-MNIJEXPFSA-N 1 3 377.573 3.769 20 0 GHADHO CCN(CC)C(=O)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167981873 852019465 /nfs/dbraw/zinc/01/94/65/852019465.db2.gz NQWMEXRWKLTYQY-NOTZXAQLSA-N 1 3 383.580 3.706 20 0 GHADHO CCN(CC)C(=O)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167981873 852019471 /nfs/dbraw/zinc/01/94/71/852019471.db2.gz NQWMEXRWKLTYQY-NOTZXAQLSA-N 1 3 383.580 3.706 20 0 GHADHO CCN(C(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000458852838 852056483 /nfs/dbraw/zinc/05/64/83/852056483.db2.gz OINDSJVSXIEXSN-JOCHJYFZSA-N 1 3 386.584 3.559 20 0 GHADHO CN(C)C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000458855662 852239386 /nfs/dbraw/zinc/23/93/86/852239386.db2.gz QTIJAUCJMQCIKG-LJQANCHMSA-N 1 3 380.964 3.508 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167961485 852552127 /nfs/dbraw/zinc/55/21/27/852552127.db2.gz LYHCHJCAXHQFCF-VJAOCGABSA-N 1 3 377.573 3.769 20 0 GHADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000467353104 852794175 /nfs/dbraw/zinc/79/41/75/852794175.db2.gz JQOJQFBYWLZPKP-JOCHJYFZSA-N 1 3 384.495 3.568 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)CC3CCCCCC3)CC2)CC1 ZINC000188175426 853817328 /nfs/dbraw/zinc/81/73/28/853817328.db2.gz LSQVSJXAAJTNKK-UHFFFAOYSA-N 1 3 392.632 3.983 20 0 GHADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000073895196 853963726 /nfs/dbraw/zinc/96/37/26/853963726.db2.gz QKEZKJYJXPAFJB-MRXNPFEDSA-N 1 3 375.340 3.538 20 0 GHADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000073895196 853963729 /nfs/dbraw/zinc/96/37/29/853963729.db2.gz QKEZKJYJXPAFJB-MRXNPFEDSA-N 1 3 375.340 3.538 20 0 GHADHO CC(C)CN1c2ccccc2[C@@]2(CCN(C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC001168380200 854007073 /nfs/dbraw/zinc/00/70/73/854007073.db2.gz QDXHBFZCOICKRI-DEOSSOPVSA-N 1 3 381.564 3.507 20 0 GHADHO COc1ccc(Oc2ccc(C[NH2+]CCN3CCN(C)C(C)(C)C3)cc2)cc1 ZINC000441377343 854161383 /nfs/dbraw/zinc/16/13/83/854161383.db2.gz GHCHNSKROXPKTO-UHFFFAOYSA-N 1 3 383.536 3.603 20 0 GHADHO O=C1C[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1ccsc1 ZINC001167993374 854353308 /nfs/dbraw/zinc/35/33/08/854353308.db2.gz OEYOKCLZRQJBHT-ZWZGKBJOSA-N 1 3 385.577 3.582 20 0 GHADHO O=C1C[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1ccsc1 ZINC001167993374 854353316 /nfs/dbraw/zinc/35/33/16/854353316.db2.gz OEYOKCLZRQJBHT-ZWZGKBJOSA-N 1 3 385.577 3.582 20 0 GHADHO O=C1C[C@@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1ccsc1 ZINC001167993374 854353320 /nfs/dbraw/zinc/35/33/20/854353320.db2.gz OEYOKCLZRQJBHT-ZWZGKBJOSA-N 1 3 385.577 3.582 20 0 GHADHO O=C1C[C@@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1ccsc1 ZINC001167993374 854353329 /nfs/dbraw/zinc/35/33/29/854353329.db2.gz OEYOKCLZRQJBHT-ZWZGKBJOSA-N 1 3 385.577 3.582 20 0 GHADHO Cc1cccc(N2CC[NH+](CCCCNCc3cn4cc(C)ccc4n3)CC2)c1 ZINC000572189917 854437016 /nfs/dbraw/zinc/43/70/16/854437016.db2.gz ODSKTBNMJMEIQM-UHFFFAOYSA-N 1 3 391.563 3.643 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cn4cc(C)ccc4n3)CC2)c1 ZINC000572189917 854437017 /nfs/dbraw/zinc/43/70/17/854437017.db2.gz ODSKTBNMJMEIQM-UHFFFAOYSA-N 1 3 391.563 3.643 20 0 GHADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000589205237 854749612 /nfs/dbraw/zinc/74/96/12/854749612.db2.gz YWVOHBHTNSATPR-MSOLQXFVSA-N 1 3 380.602 3.551 20 0 GHADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000589205237 854749618 /nfs/dbraw/zinc/74/96/18/854749618.db2.gz YWVOHBHTNSATPR-MSOLQXFVSA-N 1 3 380.602 3.551 20 0 GHADHO COc1ccc([C@@H]2C[C@H]([NH2+]CC3CCN(Cc4cccnc4)CC3)CCO2)cc1 ZINC001168613643 854871215 /nfs/dbraw/zinc/87/12/15/854871215.db2.gz JKYBWYZDXWJTRP-VWNXMTODSA-N 1 3 395.547 3.812 20 0 GHADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000572702551 854939807 /nfs/dbraw/zinc/93/98/07/854939807.db2.gz RPFWCIZZAZTDEI-OXJNMPFZSA-N 1 3 388.556 3.686 20 0 GHADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000572702551 854939813 /nfs/dbraw/zinc/93/98/13/854939813.db2.gz RPFWCIZZAZTDEI-OXJNMPFZSA-N 1 3 388.556 3.686 20 0 GHADHO CCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000590523898 855479883 /nfs/dbraw/zinc/47/98/83/855479883.db2.gz AHIZTCKVBYQXKV-NRFANRHFSA-N 1 3 378.605 3.593 20 0 GHADHO CN(C)[C@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000107834156 855564734 /nfs/dbraw/zinc/56/47/34/855564734.db2.gz IWVAYXFNNKECMI-JOCHJYFZSA-N 1 3 386.584 3.587 20 0 GHADHO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)s1 ZINC000180976463 862698511 /nfs/dbraw/zinc/69/85/11/862698511.db2.gz VYWFSYZNRNUUBH-KRWDZBQOSA-N 1 3 385.577 3.987 20 0 GHADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000573121461 855851782 /nfs/dbraw/zinc/85/17/82/855851782.db2.gz DDOYWBFUMRDRKE-WIYYLYMNSA-N 1 3 393.531 3.687 20 0 GHADHO CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629554365 862755162 /nfs/dbraw/zinc/75/51/62/862755162.db2.gz ZMNLNEKFDDIGQG-FUHWJXTLSA-N 1 3 396.366 3.866 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905121679 856168838 /nfs/dbraw/zinc/16/88/38/856168838.db2.gz FDIVFHLPCVBEES-GCJKJVERSA-N 1 3 393.531 3.723 20 0 GHADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536486419 856220681 /nfs/dbraw/zinc/22/06/81/856220681.db2.gz RMPSLYPIQYVYFY-NRFANRHFSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536486419 856220689 /nfs/dbraw/zinc/22/06/89/856220689.db2.gz RMPSLYPIQYVYFY-NRFANRHFSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2OCc2cccnc2)C[C@H](C)O1 ZINC000067452709 856265878 /nfs/dbraw/zinc/26/58/78/856265878.db2.gz QUVXDZGLBBZIGD-BGYRXZFFSA-N 1 3 383.536 3.640 20 0 GHADHO C[C@@H]1CC([NH2+]CC(=O)N(C)Cc2ccccc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168008237 856266906 /nfs/dbraw/zinc/26/69/06/856266906.db2.gz DFOBAOIETHVDHJ-WOJBJXKFSA-N 1 3 379.548 3.676 20 0 GHADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001128744069 856380508 /nfs/dbraw/zinc/38/05/08/856380508.db2.gz FPIUHQNUXNDUCP-VSKRKVRLSA-N 1 3 385.596 3.771 20 0 GHADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001128744069 856380517 /nfs/dbraw/zinc/38/05/17/856380517.db2.gz FPIUHQNUXNDUCP-VSKRKVRLSA-N 1 3 385.596 3.771 20 0 GHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(C(=O)OC(C)(C)C)CCOCC2)CC1 ZINC000592394445 856804039 /nfs/dbraw/zinc/80/40/39/856804039.db2.gz OLUZIJPWZXNJEN-AZUAARDMSA-N 1 3 394.600 3.758 20 0 GHADHO C[C@H](CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)NC(=O)OC(C)(C)C ZINC000785477642 857204275 /nfs/dbraw/zinc/20/42/75/857204275.db2.gz JHFBLUADYWFULC-LJQANCHMSA-N 1 3 387.568 3.888 20 0 GHADHO C[C@H](CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)NC(=O)OC(C)(C)C ZINC000785477642 857204281 /nfs/dbraw/zinc/20/42/81/857204281.db2.gz JHFBLUADYWFULC-LJQANCHMSA-N 1 3 387.568 3.888 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)CC1 ZINC000574034805 857218966 /nfs/dbraw/zinc/21/89/66/857218966.db2.gz UHSZLNWBBJVXDO-OAQYLSRUSA-N 1 3 392.547 3.516 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)c2ccccc2OCC[NH+](C)C)N2CCCC2)cc1 ZINC000061502513 857524074 /nfs/dbraw/zinc/52/40/74/857524074.db2.gz DERJTEVEQWRURX-JOCHJYFZSA-N 1 3 395.547 3.502 20 0 GHADHO COc1ccc(COCC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000671723590 857557513 /nfs/dbraw/zinc/55/75/13/857557513.db2.gz XRJNAVWRLOJOLS-DEOSSOPVSA-N 1 3 380.532 3.810 20 0 GHADHO COc1ccc(COCC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000671723590 857557518 /nfs/dbraw/zinc/55/75/18/857557518.db2.gz XRJNAVWRLOJOLS-DEOSSOPVSA-N 1 3 380.532 3.810 20 0 GHADHO C[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000675777469 857607840 /nfs/dbraw/zinc/60/78/40/857607840.db2.gz IGKUWWPHBPGFAZ-QWHCGFSZSA-N 1 3 383.330 3.601 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744440 857765239 /nfs/dbraw/zinc/76/52/39/857765239.db2.gz HXCSDAATBNRVLH-CTNGQTDRSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744440 857765243 /nfs/dbraw/zinc/76/52/43/857765243.db2.gz HXCSDAATBNRVLH-CTNGQTDRSA-N 1 3 375.520 3.830 20 0 GHADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442871892 858188795 /nfs/dbraw/zinc/18/87/95/858188795.db2.gz MIMOJFNLSJLSDW-HNNXBMFYSA-N 1 3 390.572 3.934 20 0 GHADHO Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)o1 ZINC000115612343 858587927 /nfs/dbraw/zinc/58/79/27/858587927.db2.gz YNAWLNJMGZLFHC-UHFFFAOYSA-N 1 3 394.494 3.831 20 0 GHADHO COc1ccc(C[NH2+]CC2(CN(C)C)CCCC2)cc1OCc1cccnc1 ZINC000185291908 859068520 /nfs/dbraw/zinc/06/85/20/859068520.db2.gz WMQOAYLTEUZXQP-UHFFFAOYSA-N 1 3 383.536 3.881 20 0 GHADHO CC(C)C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000051761235 859313298 /nfs/dbraw/zinc/31/32/98/859313298.db2.gz NGSDGYOVLPRRSJ-IBGZPJMESA-N 1 3 392.613 3.693 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000543396114 859553170 /nfs/dbraw/zinc/55/31/70/859553170.db2.gz DQJGTMOGVBQVDQ-UHFFFAOYSA-N 1 3 375.520 3.672 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCCN(C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000522431295 859850761 /nfs/dbraw/zinc/85/07/61/859850761.db2.gz ZDAZVTRLXFBWEW-HSZRJFAPSA-N 1 3 394.563 3.563 20 0 GHADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC000922391434 859889449 /nfs/dbraw/zinc/88/94/49/859889449.db2.gz WHYAVQXYYWHMHH-XCJLJZCSSA-N 1 3 389.540 3.519 20 0 GHADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC000922391434 859889467 /nfs/dbraw/zinc/88/94/67/859889467.db2.gz WHYAVQXYYWHMHH-XCJLJZCSSA-N 1 3 389.540 3.519 20 0 GHADHO C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CCCN1Cc1ccccc1)CC2 ZINC000615441556 859935934 /nfs/dbraw/zinc/93/59/34/859935934.db2.gz WHSCKZUYOGLVGK-JOCHJYFZSA-N 1 3 383.580 3.764 20 0 GHADHO CN1CCN(c2ncccc2CN[C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000158526438 859947141 /nfs/dbraw/zinc/94/71/41/859947141.db2.gz KBUPRAWKKROUAL-GOSISDBHSA-N 1 3 388.968 3.814 20 0 GHADHO CN1CCN(c2ncccc2C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000158526438 859947150 /nfs/dbraw/zinc/94/71/50/859947150.db2.gz KBUPRAWKKROUAL-GOSISDBHSA-N 1 3 388.968 3.814 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001127859556 859967070 /nfs/dbraw/zinc/96/70/70/859967070.db2.gz KDWSTKPICDAVPX-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718664 860286315 /nfs/dbraw/zinc/28/63/15/860286315.db2.gz IIFJFJFKWSBWRV-UYWIDEMCSA-N 1 3 398.551 3.844 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718664 860286325 /nfs/dbraw/zinc/28/63/25/860286325.db2.gz IIFJFJFKWSBWRV-UYWIDEMCSA-N 1 3 398.551 3.844 20 0 GHADHO CC(C)N1CCN(Cc2ccc(N3C[C@H](CC[NH3+])c4ccccc43)c(F)c2)CC1 ZINC001168555645 860589219 /nfs/dbraw/zinc/58/92/19/860589219.db2.gz PNPNCBCSTCSLAE-FQEVSTJZSA-N 1 3 396.554 3.936 20 0 GHADHO CC(=O)Nc1cccc(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856600891 881575525 /nfs/dbraw/zinc/57/55/25/881575525.db2.gz YMCKFMCQDVTDKV-HSZRJFAPSA-N 1 3 396.535 3.534 20 0 GHADHO CC(=O)Nc1cccc(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856600891 881575533 /nfs/dbraw/zinc/57/55/33/881575533.db2.gz YMCKFMCQDVTDKV-HSZRJFAPSA-N 1 3 396.535 3.534 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869063 860803471 /nfs/dbraw/zinc/80/34/71/860803471.db2.gz LIJDBBVTIRWWPS-XQBPLPMBSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869063 860803477 /nfs/dbraw/zinc/80/34/77/860803477.db2.gz LIJDBBVTIRWWPS-XQBPLPMBSA-N 1 3 375.520 3.971 20 0 GHADHO Cc1ccc(C)c([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000532231483 881583256 /nfs/dbraw/zinc/58/32/56/881583256.db2.gz VVCSYZAXKRMXQZ-DENIHFKCSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1ccc(C)c([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000532231483 881583268 /nfs/dbraw/zinc/58/32/68/881583268.db2.gz VVCSYZAXKRMXQZ-DENIHFKCSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1cnc(CC[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(C)c1 ZINC000856606985 881585743 /nfs/dbraw/zinc/58/57/43/881585743.db2.gz RUWNGWNZKYGSLS-QFIPXVFZSA-N 1 3 382.552 3.629 20 0 GHADHO Cc1cnc(CC[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(C)c1 ZINC000856606985 881585748 /nfs/dbraw/zinc/58/57/48/881585748.db2.gz RUWNGWNZKYGSLS-QFIPXVFZSA-N 1 3 382.552 3.629 20 0 GHADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600064253 860878215 /nfs/dbraw/zinc/87/82/15/860878215.db2.gz WEXQZDZMTKQZAG-HXUWFJFHSA-N 1 3 385.596 3.566 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199461 881591392 /nfs/dbraw/zinc/59/13/92/881591392.db2.gz ZJOXSHWTRVGSKM-IZZBFERCSA-N 1 3 398.551 3.671 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199461 881591422 /nfs/dbraw/zinc/59/14/22/881591422.db2.gz ZJOXSHWTRVGSKM-IZZBFERCSA-N 1 3 398.551 3.671 20 0 GHADHO C[NH+](C)C1CCN(CCNCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000176989760 861120205 /nfs/dbraw/zinc/12/02/05/861120205.db2.gz WVAGLDROYVFFKI-UHFFFAOYSA-N 1 3 384.549 3.672 20 0 GHADHO Cc1ccc([C@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000182348128 863197672 /nfs/dbraw/zinc/19/76/72/863197672.db2.gz BUOHBEGNXTYAKU-FQEVSTJZSA-N 1 3 379.548 3.735 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000532269944 881641410 /nfs/dbraw/zinc/64/14/10/881641410.db2.gz IJQKNKRTLKBKFG-RTBURBONSA-N 1 3 397.346 3.737 20 0 GHADHO C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)N(C)Cc1ccccc1 ZINC000554215314 863908945 /nfs/dbraw/zinc/90/89/45/863908945.db2.gz GPTVJCZKAJKNSA-HXUWFJFHSA-N 1 3 379.548 3.923 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000163966574 864582224 /nfs/dbraw/zinc/58/22/24/864582224.db2.gz QPTIMKKQSISPSJ-DVECYGJZSA-N 1 3 398.595 3.775 20 0 GHADHO COc1cc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cc(OC)c1OCc1ccccc1 ZINC000622044740 864721133 /nfs/dbraw/zinc/72/11/33/864721133.db2.gz QRPWNLYDXAOQKN-WOJBJXKFSA-N 1 3 384.520 3.542 20 0 GHADHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480620383 864982285 /nfs/dbraw/zinc/98/22/85/864982285.db2.gz ZMIJLXMVBWALAU-QPPBQGQZSA-N 1 3 381.564 3.560 20 0 GHADHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480620383 864982290 /nfs/dbraw/zinc/98/22/90/864982290.db2.gz ZMIJLXMVBWALAU-QPPBQGQZSA-N 1 3 381.564 3.560 20 0 GHADHO CO[C@H](C)[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480748184 865192756 /nfs/dbraw/zinc/19/27/56/865192756.db2.gz WEIIRJJCVBIZIP-IAGOWNOFSA-N 1 3 387.490 3.621 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248397284 865591757 /nfs/dbraw/zinc/59/17/57/865591757.db2.gz HUEWMWQXJXKQHY-CJRSTVEYSA-N 1 3 395.591 3.668 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248397284 865591760 /nfs/dbraw/zinc/59/17/60/865591760.db2.gz HUEWMWQXJXKQHY-CJRSTVEYSA-N 1 3 395.591 3.668 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248397284 865591768 /nfs/dbraw/zinc/59/17/68/865591768.db2.gz HUEWMWQXJXKQHY-CJRSTVEYSA-N 1 3 395.591 3.668 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000555210324 865725235 /nfs/dbraw/zinc/72/52/35/865725235.db2.gz BPZFQUJESDRQOB-QFIPXVFZSA-N 1 3 398.595 3.557 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000555210324 865725243 /nfs/dbraw/zinc/72/52/43/865725243.db2.gz BPZFQUJESDRQOB-QFIPXVFZSA-N 1 3 398.595 3.557 20 0 GHADHO CC(C)c1nn(-c2ccccc2)cc1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121078257 881908871 /nfs/dbraw/zinc/90/88/71/881908871.db2.gz FLTPSSOJKSOJIQ-LJQANCHMSA-N 1 3 384.568 3.520 20 0 GHADHO C[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000153647761 867003014 /nfs/dbraw/zinc/00/30/14/867003014.db2.gz GFAJZBNXHBBCPO-KRWDZBQOSA-N 1 3 382.483 3.803 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000153696396 867031062 /nfs/dbraw/zinc/03/10/62/867031062.db2.gz IJVYXLUARGBHEN-NRFANRHFSA-N 1 3 393.575 3.914 20 0 GHADHO FC(F)CN1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000155221531 867811195 /nfs/dbraw/zinc/81/11/95/867811195.db2.gz AEMDGHMTUKRQNK-UHFFFAOYSA-N 1 3 385.930 3.871 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000155566740 867950426 /nfs/dbraw/zinc/95/04/26/867950426.db2.gz HQYYGIQJHRSKOI-SJORKVTESA-N 1 3 389.975 3.511 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000155821001 868123668 /nfs/dbraw/zinc/12/36/68/868123668.db2.gz NQPSRNGRTDRFOS-ZDUSSCGKSA-N 1 3 397.407 3.840 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000487519908 869338024 /nfs/dbraw/zinc/33/80/24/869338024.db2.gz RXNNPPHWJNUSMR-AVRDEDQJSA-N 1 3 380.536 3.780 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000487519908 869338035 /nfs/dbraw/zinc/33/80/35/869338035.db2.gz RXNNPPHWJNUSMR-AVRDEDQJSA-N 1 3 380.536 3.780 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000462798374 870114667 /nfs/dbraw/zinc/11/46/67/870114667.db2.gz KVFOYJBVPCYATB-KMDXXIMOSA-N 1 3 385.596 3.509 20 0 GHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc2c(c1)CCC2 ZINC000248141829 870299598 /nfs/dbraw/zinc/29/95/98/870299598.db2.gz PRZDRFJFDVAGGD-HOYKHHGWSA-N 1 3 391.559 3.723 20 0 GHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc2c(c1)CCC2 ZINC000248141829 870299615 /nfs/dbraw/zinc/29/96/15/870299615.db2.gz PRZDRFJFDVAGGD-HOYKHHGWSA-N 1 3 391.559 3.723 20 0 GHADHO C[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248548635 870485207 /nfs/dbraw/zinc/48/52/07/870485207.db2.gz FPRJZPBGGTWPEI-QTGUNEKASA-N 1 3 382.548 3.822 20 0 GHADHO C[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248548635 870485217 /nfs/dbraw/zinc/48/52/17/870485217.db2.gz FPRJZPBGGTWPEI-QTGUNEKASA-N 1 3 382.548 3.822 20 0 GHADHO CC[N@H+](CCCC1CCN([C@H](C)c2cnccn2)CC1)[C@H](C)c1cnccn1 ZINC000248619823 870547071 /nfs/dbraw/zinc/54/70/71/870547071.db2.gz MDVMBJXLAVHUIW-RTBURBONSA-N 1 3 382.556 3.903 20 0 GHADHO CC[N@@H+](CCCC1CCN([C@H](C)c2cnccn2)CC1)[C@H](C)c1cnccn1 ZINC000248619823 870547085 /nfs/dbraw/zinc/54/70/85/870547085.db2.gz MDVMBJXLAVHUIW-RTBURBONSA-N 1 3 382.556 3.903 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000463126124 870936969 /nfs/dbraw/zinc/93/69/69/870936969.db2.gz YHSNEVCHMBLGFQ-KOVSNXQUSA-N 1 3 387.612 3.766 20 0 GHADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000539059137 871197791 /nfs/dbraw/zinc/19/77/91/871197791.db2.gz CKASGWPHRYNSMO-VAMGGRTRSA-N 1 3 378.944 3.830 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCc3ccccc3N1C(=O)OC(C)(C)C)C2 ZINC001169111837 871239565 /nfs/dbraw/zinc/23/95/65/871239565.db2.gz QFMMGKKMMNNEQK-YRPNKDGESA-N 1 3 385.552 3.958 20 0 GHADHO COC(=O)CCCN1CCC(Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000463302668 871371234 /nfs/dbraw/zinc/37/12/34/871371234.db2.gz PYOGTOPDOUTQQA-IBGZPJMESA-N 1 3 387.568 3.748 20 0 GHADHO COC(=O)CCCN1CCC(Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000463302668 871371249 /nfs/dbraw/zinc/37/12/49/871371249.db2.gz PYOGTOPDOUTQQA-IBGZPJMESA-N 1 3 387.568 3.748 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000539164761 871426543 /nfs/dbraw/zinc/42/65/43/871426543.db2.gz YSLIBAMJVAACFF-IEBWSBKVSA-N 1 3 399.501 3.765 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC001169553407 871631792 /nfs/dbraw/zinc/63/17/92/871631792.db2.gz CXZAFNVKVHHRPO-RBZQAINGSA-N 1 3 393.575 3.797 20 0 GHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627069 872085156 /nfs/dbraw/zinc/08/51/56/872085156.db2.gz KYZBIHDCOIIMMU-UTKZUKDTSA-N 1 3 390.531 3.716 20 0 GHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627069 872085175 /nfs/dbraw/zinc/08/51/75/872085175.db2.gz KYZBIHDCOIIMMU-UTKZUKDTSA-N 1 3 390.531 3.716 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000552478990 872696171 /nfs/dbraw/zinc/69/61/71/872696171.db2.gz DCWJLWJLPPDUNG-XMMPIXPASA-N 1 3 393.575 3.941 20 0 GHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768209624 873145543 /nfs/dbraw/zinc/14/55/43/873145543.db2.gz RTIGVUOTOYYBOP-QRVBRYPASA-N 1 3 397.604 3.501 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858011548 882716067 /nfs/dbraw/zinc/71/60/67/882716067.db2.gz WBXIKMSFBCCKAZ-QHCPKHFHSA-N 1 3 395.547 3.943 20 0 GHADHO CCN1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527647634 873400807 /nfs/dbraw/zinc/40/08/07/873400807.db2.gz NMYAOJHBTRHWEO-GFCCVEGCSA-N 1 3 383.359 3.722 20 0 GHADHO COc1cccc([C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)OC)c1 ZINC000527737365 873540935 /nfs/dbraw/zinc/54/09/35/873540935.db2.gz NFALNNOXSVQJMI-HSZRJFAPSA-N 1 3 386.511 3.819 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCCC2)[C@H](C)C1 ZINC000134157530 882760996 /nfs/dbraw/zinc/76/09/96/882760996.db2.gz XUTIKIIZCXSCDM-AABGKKOBSA-N 1 3 379.614 3.612 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCCC2)[C@H](C)C1 ZINC000134157530 882761001 /nfs/dbraw/zinc/76/10/01/882761001.db2.gz XUTIKIIZCXSCDM-AABGKKOBSA-N 1 3 379.614 3.612 20 0 GHADHO COC1(C[C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000550882198 882763835 /nfs/dbraw/zinc/76/38/35/882763835.db2.gz KCKSNACPVCWEQW-IFMALSPDSA-N 1 3 386.580 3.853 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464563556 874083207 /nfs/dbraw/zinc/08/32/07/874083207.db2.gz MCGYZBOPGXOZGP-NZQKXSOJSA-N 1 3 385.596 3.520 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464563556 874083221 /nfs/dbraw/zinc/08/32/21/874083221.db2.gz MCGYZBOPGXOZGP-NZQKXSOJSA-N 1 3 385.596 3.520 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2ccccc2NC1=O ZINC000192143452 882799859 /nfs/dbraw/zinc/79/98/59/882799859.db2.gz AWXYLDQICIYSNO-JOCHJYFZSA-N 1 3 378.520 3.573 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000528283733 874304947 /nfs/dbraw/zinc/30/49/47/874304947.db2.gz DBQUMUSEYOKVFO-HSZRJFAPSA-N 1 3 398.595 3.557 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000528283733 874304960 /nfs/dbraw/zinc/30/49/60/874304960.db2.gz DBQUMUSEYOKVFO-HSZRJFAPSA-N 1 3 398.595 3.557 20 0 GHADHO CC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000537648681 882834861 /nfs/dbraw/zinc/83/48/61/882834861.db2.gz RZEVQJPYNUETAM-XMMPIXPASA-N 1 3 395.591 3.990 20 0 GHADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839162 874577915 /nfs/dbraw/zinc/57/79/15/874577915.db2.gz PEQWCPJHLHGDLE-SFHVURJKSA-N 1 3 387.474 3.747 20 0 GHADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464839162 874577924 /nfs/dbraw/zinc/57/79/24/874577924.db2.gz PEQWCPJHLHGDLE-SFHVURJKSA-N 1 3 387.474 3.747 20 0 GHADHO COc1ccccc1[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000858101009 882847477 /nfs/dbraw/zinc/84/74/77/882847477.db2.gz WMDBKZRSRCSBND-SJLPKXTDSA-N 1 3 391.556 3.723 20 0 GHADHO COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc(Br)c1[O-] ZINC001199336789 874909619 /nfs/dbraw/zinc/90/96/19/874909619.db2.gz WVTGJDGDJIXQEH-CQSZACIVSA-N 1 3 385.346 3.765 20 0 GHADHO COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc(Br)c1[O-] ZINC001199336789 874909625 /nfs/dbraw/zinc/90/96/25/874909625.db2.gz WVTGJDGDJIXQEH-CQSZACIVSA-N 1 3 385.346 3.765 20 0 GHADHO CC(=O)N(C)c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000858251563 882978226 /nfs/dbraw/zinc/97/82/26/882978226.db2.gz SICABIGTNYTSNZ-JOCHJYFZSA-N 1 3 377.532 3.956 20 0 GHADHO CC(=O)N(C)c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000858251563 882978233 /nfs/dbraw/zinc/97/82/33/882978233.db2.gz SICABIGTNYTSNZ-JOCHJYFZSA-N 1 3 377.532 3.956 20 0 GHADHO CC1(C)OCC[C@@H]1[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000551006442 883001411 /nfs/dbraw/zinc/00/14/11/883001411.db2.gz FHBIGMSJGYMYOG-IBGZPJMESA-N 1 3 399.501 3.765 20 0 GHADHO CC(C)c1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108421095 876466853 /nfs/dbraw/zinc/46/68/53/876466853.db2.gz PJFTUUZIZWDPEX-QHCPKHFHSA-N 1 3 379.548 3.797 20 0 GHADHO CC(C)c1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108421095 876466861 /nfs/dbraw/zinc/46/68/61/876466861.db2.gz PJFTUUZIZWDPEX-QHCPKHFHSA-N 1 3 379.548 3.797 20 0 GHADHO Clc1nc2cc(Cl)ccn2c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000850344428 876833412 /nfs/dbraw/zinc/83/34/12/876833412.db2.gz IIBPFWMYYIPTEH-UHFFFAOYSA-N 1 3 397.350 3.622 20 0 GHADHO CC[C@@H](NCc1cc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)ccc1F)[C@@H]1CCCO1 ZINC000450725908 876852510 /nfs/dbraw/zinc/85/25/10/876852510.db2.gz JOFZSVRBJPVGSX-LRSLUSHPSA-N 1 3 378.532 3.920 20 0 GHADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3c(C)cnc4c(C)cccc43)C2)CC1 ZINC000450772110 876866882 /nfs/dbraw/zinc/86/68/82/876866882.db2.gz KNYZHPICFWSUKF-NRFANRHFSA-N 1 3 394.563 3.622 20 0 GHADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3c(C)cnc4c(C)cccc43)C2)CC1 ZINC000450772110 876866891 /nfs/dbraw/zinc/86/68/91/876866891.db2.gz KNYZHPICFWSUKF-NRFANRHFSA-N 1 3 394.563 3.622 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)CC2)CC1 ZINC000529920313 876868012 /nfs/dbraw/zinc/86/80/12/876868012.db2.gz APRMJGSQIPGWFB-OAQYLSRUSA-N 1 3 389.971 3.640 20 0 GHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786804532 876964037 /nfs/dbraw/zinc/96/40/37/876964037.db2.gz MDZSXVLGRDEXKJ-GOSISDBHSA-N 1 3 380.536 3.907 20 0 GHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786804532 876964040 /nfs/dbraw/zinc/96/40/40/876964040.db2.gz MDZSXVLGRDEXKJ-GOSISDBHSA-N 1 3 380.536 3.907 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581007 877054602 /nfs/dbraw/zinc/05/46/02/877054602.db2.gz CHRIZWVSUNVSDW-XMCHAPAWSA-N 1 3 378.438 3.638 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581007 877054613 /nfs/dbraw/zinc/05/46/13/877054613.db2.gz CHRIZWVSUNVSDW-XMCHAPAWSA-N 1 3 378.438 3.638 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000477409455 877581260 /nfs/dbraw/zinc/58/12/60/877581260.db2.gz WYWHWHKSLCPRAR-HXUWFJFHSA-N 1 3 388.600 3.660 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000477409455 877581270 /nfs/dbraw/zinc/58/12/70/877581270.db2.gz WYWHWHKSLCPRAR-HXUWFJFHSA-N 1 3 388.600 3.660 20 0 GHADHO CCCN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000245393722 877793048 /nfs/dbraw/zinc/79/30/48/877793048.db2.gz WJZFLGWTFBLVSN-GGAORHGYSA-N 1 3 398.595 3.557 20 0 GHADHO CCCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000245393722 877793059 /nfs/dbraw/zinc/79/30/59/877793059.db2.gz WJZFLGWTFBLVSN-GGAORHGYSA-N 1 3 398.595 3.557 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000615775672 878109145 /nfs/dbraw/zinc/10/91/45/878109145.db2.gz JPMMPVFTWZGFSG-IEBWSBKVSA-N 1 3 380.602 3.552 20 0 GHADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)N(C)Cc1ccccc1 ZINC000455906950 878174548 /nfs/dbraw/zinc/17/45/48/878174548.db2.gz HSVRRIHYMUCPBE-HTAPYJJXSA-N 1 3 380.536 3.878 20 0 GHADHO COc1ccc([C@@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245654228 878293349 /nfs/dbraw/zinc/29/33/49/878293349.db2.gz DEGKCDHCQHRCJR-PIATZUFCSA-N 1 3 380.532 3.904 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCCc4ccccc43)c2)C1 ZINC000246618397 879723346 /nfs/dbraw/zinc/72/33/46/879723346.db2.gz SVDOESGYGHAXSL-FYYLOGMGSA-N 1 3 377.532 3.551 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCCc4ccccc43)c2)C1 ZINC000246618397 879723362 /nfs/dbraw/zinc/72/33/62/879723362.db2.gz SVDOESGYGHAXSL-FYYLOGMGSA-N 1 3 377.532 3.551 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C[C@H](C)O1 ZINC000790529587 879796369 /nfs/dbraw/zinc/79/63/69/879796369.db2.gz LVBDXFFSBOYYGU-ROUUACIJSA-N 1 3 390.959 3.564 20 0 GHADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000854514715 879873687 /nfs/dbraw/zinc/87/36/87/879873687.db2.gz INSWGRJSZUDDPK-YMPZKCBVSA-N 1 3 377.532 3.822 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)[C@@H](C)C1 ZINC000247129678 879926261 /nfs/dbraw/zinc/92/62/61/879926261.db2.gz ARLKAQDNAWXVSY-YDHSSHFGSA-N 1 3 384.568 3.968 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000247208166 879942861 /nfs/dbraw/zinc/94/28/61/879942861.db2.gz VNBQVQOAKNPCTE-KBRIMQKVSA-N 1 3 382.346 3.629 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247208166 879942874 /nfs/dbraw/zinc/94/28/74/879942874.db2.gz VNBQVQOAKNPCTE-KBRIMQKVSA-N 1 3 382.346 3.629 20 0 GHADHO CC[C@H](CN[C@H](C)CC(=O)Nc1cccc(Br)c1)[NH+]1CCCC1 ZINC000531684892 880317939 /nfs/dbraw/zinc/31/79/39/880317939.db2.gz FJBYPTYENXBIQR-RHSMWYFYSA-N 1 3 382.346 3.630 20 0 GHADHO c1ncn(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@H]4CCC[C@H]43)cc2)n1 ZINC000453109378 880477433 /nfs/dbraw/zinc/47/74/33/880477433.db2.gz PKTQAVIQWNGRRG-HJOGWXRNSA-N 1 3 387.531 3.800 20 0 GHADHO CCN1CCN(c2ccc(N[C@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC000776807769 880506954 /nfs/dbraw/zinc/50/69/54/880506954.db2.gz YELASTSQYCJVIE-HXUWFJFHSA-N 1 3 396.579 3.942 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCN(c4ccccn4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453172313 880576025 /nfs/dbraw/zinc/57/60/25/880576025.db2.gz MUQVVKHSIZGFMQ-WZYRSQIMSA-N 1 3 376.548 3.693 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCN(c4ccccn4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453172313 880576029 /nfs/dbraw/zinc/57/60/29/880576029.db2.gz MUQVVKHSIZGFMQ-WZYRSQIMSA-N 1 3 376.548 3.693 20 0 GHADHO CCCOc1c(Cl)cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OCC ZINC000531863778 880635383 /nfs/dbraw/zinc/63/53/83/880635383.db2.gz LWGPKLOEBHTRJL-UHFFFAOYSA-N 1 3 398.975 3.852 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000494810424 883876359 /nfs/dbraw/zinc/87/63/59/883876359.db2.gz OBIRJIJPOMVKKX-LMVRJCEZSA-N 1 3 378.532 3.772 20 0 GHADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230018 884164627 /nfs/dbraw/zinc/16/46/27/884164627.db2.gz KXDGBZJLMLZLHW-VABKMULXSA-N 1 3 386.580 3.710 20 0 GHADHO Cc1cccc2nc(C3CC[NH+](CCCN4CCN(C(C)C)CC4)CC3)oc21 ZINC000192839550 884304353 /nfs/dbraw/zinc/30/43/53/884304353.db2.gz MXUOOWJBGOERSJ-UHFFFAOYSA-N 1 3 384.568 3.732 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)[C@@H](C)C1 ZINC000655734763 884996517 /nfs/dbraw/zinc/99/65/17/884996517.db2.gz AVIMIFMJKRXJNF-CVDCTZTESA-N 1 3 384.568 3.716 20 0 GHADHO Cc1cc(F)c(F)c(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211915984 885203725 /nfs/dbraw/zinc/20/37/25/885203725.db2.gz NUWYZGATFBBTDZ-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(F)c(F)c(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211915984 885203740 /nfs/dbraw/zinc/20/37/40/885203740.db2.gz NUWYZGATFBBTDZ-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(F)cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1F ZINC001211916707 885442021 /nfs/dbraw/zinc/44/20/21/885442021.db2.gz SPRXPAYDJJJHGH-SFHVURJKSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(F)cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1F ZINC001211916707 885442027 /nfs/dbraw/zinc/44/20/27/885442027.db2.gz SPRXPAYDJJJHGH-SFHVURJKSA-N 1 3 396.441 3.512 20 0 GHADHO CCCc1cc(Cl)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170526242 885489390 /nfs/dbraw/zinc/48/93/90/885489390.db2.gz RXQIHCGJOHDNOB-UHFFFAOYSA-N 1 3 397.954 3.992 20 0 GHADHO CC(=O)Nc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1C ZINC001170528492 885587090 /nfs/dbraw/zinc/58/70/90/885587090.db2.gz QWXXIJBUBRJACS-UHFFFAOYSA-N 1 3 390.531 3.863 20 0 GHADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000131557137 886254822 /nfs/dbraw/zinc/25/48/22/886254822.db2.gz VYWRIJNAJKBUJY-ZIAGYGMSSA-N 1 3 385.321 3.740 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869852 886424363 /nfs/dbraw/zinc/42/43/63/886424363.db2.gz KJGANFLIBQJUCJ-DHIUTWEWSA-N 1 3 379.548 3.933 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869852 886424379 /nfs/dbraw/zinc/42/43/79/886424379.db2.gz KJGANFLIBQJUCJ-DHIUTWEWSA-N 1 3 379.548 3.933 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000132074580 886669090 /nfs/dbraw/zinc/66/90/90/886669090.db2.gz BKAGDUBQNWYDBW-FQEVSTJZSA-N 1 3 397.611 3.533 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C[C@@H](C)O1 ZINC000532645910 886858905 /nfs/dbraw/zinc/85/89/05/886858905.db2.gz ORUAURFUHISPQA-WOJBJXKFSA-N 1 3 382.552 3.584 20 0 GHADHO CC(C)(C)OC(=O)N(CCN1CCC(OCC[NH+]2CCCC2)CC1)C(C)(C)C ZINC000809583391 887592954 /nfs/dbraw/zinc/59/29/54/887592954.db2.gz HCPMZLHUKXURMG-UHFFFAOYSA-N 1 3 397.604 3.599 20 0 GHADHO [NH3+]CCN(C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC001184404224 913188400 /nfs/dbraw/zinc/18/84/00/913188400.db2.gz GJNTZOIVZULVTH-KRWDZBQOSA-N 1 3 389.902 3.683 20 0 GHADHO COc1ccc(C[NH+]2CCC(CNCc3cc4c(cc[nH]c4=O)o3)CC2)cc1 ZINC000865436436 888350574 /nfs/dbraw/zinc/35/05/74/888350574.db2.gz FNUPIXYJELPTLQ-UHFFFAOYSA-N 1 3 381.476 3.544 20 0 GHADHO CCC1CCC(N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C2CC2)CC1 ZINC000138079228 888385749 /nfs/dbraw/zinc/38/57/49/888385749.db2.gz GMPYXOFQUGXGMP-UHFFFAOYSA-N 1 3 390.616 3.688 20 0 GHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810460640 888508745 /nfs/dbraw/zinc/50/87/45/888508745.db2.gz WMEZOCWQLVAJBU-NFBKMPQASA-N 1 3 389.559 3.570 20 0 GHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810460640 888508755 /nfs/dbraw/zinc/50/87/55/888508755.db2.gz WMEZOCWQLVAJBU-NFBKMPQASA-N 1 3 389.559 3.570 20 0 GHADHO CC(C)[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000532908711 889254923 /nfs/dbraw/zinc/25/49/23/889254923.db2.gz WGSKHLAYYIPQHY-DEOSSOPVSA-N 1 3 379.548 3.886 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000644530610 913345134 /nfs/dbraw/zinc/34/51/34/913345134.db2.gz KPMPLAFLOZMFKJ-PKTZIBPZSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644530610 913345148 /nfs/dbraw/zinc/34/51/48/913345148.db2.gz KPMPLAFLOZMFKJ-PKTZIBPZSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cccn2cc(COc3ccc(C[NH2+]CC(C)(C)CN(C)C)cc3)nc12 ZINC000063312776 889565832 /nfs/dbraw/zinc/56/58/32/889565832.db2.gz OBJJDJYPSGLMCE-UHFFFAOYSA-N 1 3 380.536 3.899 20 0 GHADHO C[C@@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(-n2cnnn2)cc1 ZINC000125115422 889880169 /nfs/dbraw/zinc/88/01/69/889880169.db2.gz MKEFOWHFZCDMHJ-LJQANCHMSA-N 1 3 390.535 3.889 20 0 GHADHO C[C@@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000465538264 890191974 /nfs/dbraw/zinc/19/19/74/890191974.db2.gz GTNGVKOBERWILB-NJYVYQBISA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000465538264 890191979 /nfs/dbraw/zinc/19/19/79/890191979.db2.gz GTNGVKOBERWILB-NJYVYQBISA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000248581638 891441933 /nfs/dbraw/zinc/44/19/33/891441933.db2.gz OTXMWDJGNDOWME-CTNGQTDRSA-N 1 3 377.617 3.858 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000248581638 891441938 /nfs/dbraw/zinc/44/19/38/891441938.db2.gz OTXMWDJGNDOWME-CTNGQTDRSA-N 1 3 377.617 3.858 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1 ZINC000497418457 891536810 /nfs/dbraw/zinc/53/68/10/891536810.db2.gz PVOJKJGUALLNRH-XZOQPEGZSA-N 1 3 379.548 3.746 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1 ZINC000497418457 891536814 /nfs/dbraw/zinc/53/68/14/891536814.db2.gz PVOJKJGUALLNRH-XZOQPEGZSA-N 1 3 379.548 3.746 20 0 GHADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCSc4c(Cl)cccc43)c2)nn1 ZINC000873248111 891549702 /nfs/dbraw/zinc/54/97/02/891549702.db2.gz ZUIHTKABKJNBBT-GOSISDBHSA-N 1 3 385.924 3.706 20 0 GHADHO O[C@H](CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cc1F ZINC000813371237 891553625 /nfs/dbraw/zinc/55/36/25/891553625.db2.gz SKXRXYGDFBHPHM-JOCHJYFZSA-N 1 3 386.486 3.986 20 0 GHADHO C[C@@H]1C[NH+](Cc2ccc(CNCc3ccc(Br)o3)cc2)C[C@@H](C)O1 ZINC000237419518 891693018 /nfs/dbraw/zinc/69/30/18/891693018.db2.gz JGLKDTWDWGGXEV-HUUCEWRRSA-N 1 3 393.325 3.941 20 0 GHADHO C[C@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262638114 891710492 /nfs/dbraw/zinc/71/04/92/891710492.db2.gz IUVHFJLXBYKPHE-DSKINZAPSA-N 1 3 385.577 3.973 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CCN(C)C1 ZINC000645153539 913711569 /nfs/dbraw/zinc/71/15/69/913711569.db2.gz DWHPKWXPGVSVNU-JOCHJYFZSA-N 1 3 386.584 3.544 20 0 GHADHO CCC(CC)[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508721172 892971895 /nfs/dbraw/zinc/97/18/95/892971895.db2.gz UCDMQYUWGZVXFQ-QDSKXPNFSA-N 1 3 387.612 3.624 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(F)c(Cl)c2)cc1 ZINC000162780305 893137275 /nfs/dbraw/zinc/13/72/75/893137275.db2.gz TWAVQSBKKKSWEO-UHFFFAOYSA-N 1 3 389.902 3.595 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000533892467 893381700 /nfs/dbraw/zinc/38/17/00/893381700.db2.gz PFTGKIZCKNNCAL-DHIUTWEWSA-N 1 3 394.563 3.771 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000533892467 893381719 /nfs/dbraw/zinc/38/17/19/893381719.db2.gz PFTGKIZCKNNCAL-DHIUTWEWSA-N 1 3 394.563 3.771 20 0 GHADHO CC(C)c1ncc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000536667104 893486900 /nfs/dbraw/zinc/48/69/00/893486900.db2.gz ZJZOIHJCYTVYJH-UHFFFAOYSA-N 1 3 378.630 3.895 20 0 GHADHO CCc1ccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)s1 ZINC000536679047 893526029 /nfs/dbraw/zinc/52/60/29/893526029.db2.gz UJHJZUQZBJZSAW-UHFFFAOYSA-N 1 3 399.604 3.771 20 0 GHADHO C[C@@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000536836461 893908847 /nfs/dbraw/zinc/90/88/47/893908847.db2.gz AUDYHLOSOSMDHC-UTKZUKDTSA-N 1 3 399.510 3.612 20 0 GHADHO C[N@@H+]1CCC[C@H](CCNCc2cccc(Br)c2OC(F)F)C1 ZINC000459727016 894113775 /nfs/dbraw/zinc/11/37/75/894113775.db2.gz HAEJITWBQPRLAD-GFCCVEGCSA-N 1 3 377.273 3.872 20 0 GHADHO C[N@H+]1CCC[C@H](CCNCc2cccc(Br)c2OC(F)F)C1 ZINC000459727016 894113783 /nfs/dbraw/zinc/11/37/83/894113783.db2.gz HAEJITWBQPRLAD-GFCCVEGCSA-N 1 3 377.273 3.872 20 0 GHADHO CC1CCN([C@@H](CNC(=O)C2C[NH+](C3CCCCC3)C2)c2cccs2)CC1 ZINC001135296235 894333081 /nfs/dbraw/zinc/33/30/81/894333081.db2.gz OPLICKNEHMDLPA-FQEVSTJZSA-N 1 3 389.609 3.902 20 0 GHADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000564060223 894533878 /nfs/dbraw/zinc/53/38/78/894533878.db2.gz KPMWCTNLPBXZQG-VABKMULXSA-N 1 3 386.580 3.708 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@H](C)C2(OC)CCOCC2)cc1CN1CCCCC1 ZINC000817588616 895759878 /nfs/dbraw/zinc/75/98/78/895759878.db2.gz QGWXZDYOQDFUBN-RTBURBONSA-N 1 3 390.568 3.916 20 0 GHADHO NC1(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C2CC3CC(C2)CC1C3 ZINC000817983371 895991090 /nfs/dbraw/zinc/99/10/90/895991090.db2.gz AWAMGONDIOSPNT-UHFFFAOYSA-N 1 3 397.563 3.531 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000566453654 896321450 /nfs/dbraw/zinc/32/14/50/896321450.db2.gz SNQAAYUMWWFSMF-XZOQPEGZSA-N 1 3 383.580 3.635 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275665 896561386 /nfs/dbraw/zinc/56/13/86/896561386.db2.gz ZWIJBODQUHFYCP-PXNSSMCTSA-N 1 3 394.437 3.730 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275665 896561398 /nfs/dbraw/zinc/56/13/98/896561398.db2.gz ZWIJBODQUHFYCP-PXNSSMCTSA-N 1 3 394.437 3.730 20 0 GHADHO Cc1ccc([C@@H](OC[C@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC000566792006 896577220 /nfs/dbraw/zinc/57/72/20/896577220.db2.gz IINJWCGDWLKCKA-HRSYOHRGSA-N 1 3 394.559 3.677 20 0 GHADHO Cc1ccc([C@@H](OC[C@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)cc1 ZINC000566792006 896577234 /nfs/dbraw/zinc/57/72/34/896577234.db2.gz IINJWCGDWLKCKA-HRSYOHRGSA-N 1 3 394.559 3.677 20 0 GHADHO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778554537 896595115 /nfs/dbraw/zinc/59/51/15/896595115.db2.gz YEVQXJWOLUIVCZ-ZTCOLXNVSA-N 1 3 391.559 3.678 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4CC[C@H]3c3ccccc34)CC2)CC1 ZINC000882746195 896951284 /nfs/dbraw/zinc/95/12/84/896951284.db2.gz WZBBJRLFWMCDJZ-CVDCTZTESA-N 1 3 381.564 3.644 20 0 GHADHO COC[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCCOC1 ZINC000883187689 897350393 /nfs/dbraw/zinc/35/03/93/897350393.db2.gz UAUFTEVUBXEDRV-FPOVZHCZSA-N 1 3 380.960 3.583 20 0 GHADHO Cc1ccccc1C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccco1 ZINC000820808075 897536594 /nfs/dbraw/zinc/53/65/94/897536594.db2.gz XNHPZQHMUSFHEP-QFIPXVFZSA-N 1 3 390.531 3.808 20 0 GHADHO C[C@@H](N[C@H](Cn1ccnc1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000883386156 897548726 /nfs/dbraw/zinc/54/87/26/897548726.db2.gz APEVOOYBFCHHCF-AUSIDOKSSA-N 1 3 378.520 3.916 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCCCN3C(C)C)C2)s1 ZINC000568045584 897555546 /nfs/dbraw/zinc/55/55/46/897555546.db2.gz FTJUPTLWQPLVSW-QUCCMNQESA-N 1 3 377.598 3.600 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCCCN3C(C)C)C2)s1 ZINC000568045584 897555552 /nfs/dbraw/zinc/55/55/52/897555552.db2.gz FTJUPTLWQPLVSW-QUCCMNQESA-N 1 3 377.598 3.600 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c(OC(C)C)c3)CC2)CC1 ZINC000568209319 897676275 /nfs/dbraw/zinc/67/62/75/897676275.db2.gz USLKJKRFUSVFNK-UHFFFAOYSA-N 1 3 387.568 3.917 20 0 GHADHO Cn1cc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646625 914277782 /nfs/dbraw/zinc/27/77/82/914277782.db2.gz MOSNHKMPBWRVSN-XMMPIXPASA-N 1 3 387.531 3.580 20 0 GHADHO Cn1cc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646625 914277793 /nfs/dbraw/zinc/27/77/93/914277793.db2.gz MOSNHKMPBWRVSN-XMMPIXPASA-N 1 3 387.531 3.580 20 0 GHADHO c1cncc([C@H]2CC[N@@H+](Cc3cncc(CN4CC[C@@H](c5cccnc5)C4)c3)C2)c1 ZINC000569807453 898964098 /nfs/dbraw/zinc/96/40/98/898964098.db2.gz GXMKYLOJTXRSLL-PLQXJYEYSA-N 1 3 399.542 3.851 20 0 GHADHO c1cncc([C@H]2CC[N@H+](Cc3cncc(CN4CC[C@@H](c5cccnc5)C4)c3)C2)c1 ZINC000569807453 898964099 /nfs/dbraw/zinc/96/40/99/898964099.db2.gz GXMKYLOJTXRSLL-PLQXJYEYSA-N 1 3 399.542 3.851 20 0 GHADHO c1cncc([C@H]2CCN(Cc3cncc(C[N@@H+]4CC[C@@H](c5cccnc5)C4)c3)C2)c1 ZINC000569807453 898964106 /nfs/dbraw/zinc/96/41/06/898964106.db2.gz GXMKYLOJTXRSLL-PLQXJYEYSA-N 1 3 399.542 3.851 20 0 GHADHO c1cncc([C@H]2CCN(Cc3cncc(C[N@H+]4CC[C@@H](c5cccnc5)C4)c3)C2)c1 ZINC000569807453 898964116 /nfs/dbraw/zinc/96/41/16/898964116.db2.gz GXMKYLOJTXRSLL-PLQXJYEYSA-N 1 3 399.542 3.851 20 0 GHADHO COc1nc2ccccc2cc1CN1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001137203996 899137439 /nfs/dbraw/zinc/13/74/39/899137439.db2.gz SVBFYORZQKYZFV-IRLDBZIGSA-N 1 3 388.515 3.592 20 0 GHADHO COc1nc2ccccc2cc1CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001137203996 899137447 /nfs/dbraw/zinc/13/74/47/899137447.db2.gz SVBFYORZQKYZFV-IRLDBZIGSA-N 1 3 388.515 3.592 20 0 GHADHO Brc1cccc(-c2cnc(CN3CCC4(C3)CC[NH2+]CC4)o2)c1 ZINC000844222749 900589372 /nfs/dbraw/zinc/58/93/72/900589372.db2.gz KRVNIIVDLCDDTF-UHFFFAOYSA-N 1 3 376.298 3.680 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844306846 900695761 /nfs/dbraw/zinc/69/57/61/900695761.db2.gz CPSARZIFHXEOLP-RMRDIRSESA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844306846 900695769 /nfs/dbraw/zinc/69/57/69/900695769.db2.gz CPSARZIFHXEOLP-RMRDIRSESA-N 1 3 396.453 3.877 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000575248963 901181491 /nfs/dbraw/zinc/18/14/91/901181491.db2.gz ZDAMOQNZZLZYNK-UTKZUKDTSA-N 1 3 388.939 3.895 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCN(CC3CC3)CC2)Cc2ccccc21 ZINC000844710248 901185533 /nfs/dbraw/zinc/18/55/33/901185533.db2.gz PFCFDQJTWXEJQK-FQEVSTJZSA-N 1 3 385.552 3.817 20 0 GHADHO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cn1 ZINC000886638214 901201747 /nfs/dbraw/zinc/20/17/47/901201747.db2.gz OCBVAYOQYGVNEN-NHFPKVKZSA-N 1 3 378.564 3.774 20 0 GHADHO CN(C(=O)c1ccccc1CC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000575752969 901276053 /nfs/dbraw/zinc/27/60/53/901276053.db2.gz UAHROZQPXYNIHW-QHCPKHFHSA-N 1 3 391.559 3.575 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc4ccccc4c(OC)c3)CC2)CC1 ZINC000887079827 901425667 /nfs/dbraw/zinc/42/56/67/901425667.db2.gz AFMVLTQOAXRYLB-UHFFFAOYSA-N 1 3 395.547 3.983 20 0 GHADHO c1ccc(OCc2cccnc2)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735127 901561856 /nfs/dbraw/zinc/56/18/56/901561856.db2.gz YWAPZGGPGLPUEJ-UHFFFAOYSA-N 1 3 395.547 3.737 20 0 GHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@H]1C ZINC000576265855 901891035 /nfs/dbraw/zinc/89/10/35/901891035.db2.gz CGJCOBBNEZBXQC-GDBMZVCRSA-N 1 3 386.483 3.652 20 0 GHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@H]1C ZINC000576265855 901891041 /nfs/dbraw/zinc/89/10/41/901891041.db2.gz CGJCOBBNEZBXQC-GDBMZVCRSA-N 1 3 386.483 3.652 20 0 GHADHO C[C@@H](O)c1ncc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000290227496 914584103 /nfs/dbraw/zinc/58/41/03/914584103.db2.gz FNYLVPHWWYRVOD-CQSZACIVSA-N 1 3 379.957 3.852 20 0 GHADHO CC[NH+]1CCC(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC1 ZINC000779002577 902692134 /nfs/dbraw/zinc/69/21/34/902692134.db2.gz HPTWPZPPBGYFDT-SFTDATJTSA-N 1 3 387.568 3.854 20 0 GHADHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(N2CCCC2)n1 ZINC000577787178 903190588 /nfs/dbraw/zinc/19/05/88/903190588.db2.gz CEEURSMWAGCKRJ-AUSIDOKSSA-N 1 3 378.564 3.990 20 0 GHADHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(N2CCCC2)n1 ZINC000577787178 903190595 /nfs/dbraw/zinc/19/05/95/903190595.db2.gz CEEURSMWAGCKRJ-AUSIDOKSSA-N 1 3 378.564 3.990 20 0 GHADHO Cc1ccc(CC[C@@H](C)N2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)cc1 ZINC001171675680 904917778 /nfs/dbraw/zinc/91/77/78/904917778.db2.gz TUCZLRYHMDXVCQ-HXUWFJFHSA-N 1 3 385.596 3.581 20 0 GHADHO CN(C1CC1)C1CC[NH+](C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001171999380 905210834 /nfs/dbraw/zinc/21/08/34/905210834.db2.gz SBSYSGJXBKOUSZ-UHFFFAOYSA-N 1 3 392.385 3.977 20 0 GHADHO CC1(C)C[C@@H](NC[C@@]2(O)CCOc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171981984 905234527 /nfs/dbraw/zinc/23/45/27/905234527.db2.gz FOHNYBMYDHSGOG-RDPSFJRHSA-N 1 3 380.532 3.690 20 0 GHADHO CC1(C)C[C@@H](NC[C@@]2(O)CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171981984 905234540 /nfs/dbraw/zinc/23/45/40/905234540.db2.gz FOHNYBMYDHSGOG-RDPSFJRHSA-N 1 3 380.532 3.690 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC001172072767 905277425 /nfs/dbraw/zinc/27/74/25/905277425.db2.gz MWZVIKSJLQUETK-WBDAEOGXSA-N 1 3 383.580 3.858 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC001172072767 905277436 /nfs/dbraw/zinc/27/74/36/905277436.db2.gz MWZVIKSJLQUETK-WBDAEOGXSA-N 1 3 383.580 3.858 20 0 GHADHO Cn1cnnc1C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172082123 905293975 /nfs/dbraw/zinc/29/39/75/905293975.db2.gz JNRKVWCNRHSFIA-KOUNCHBCSA-N 1 3 379.552 3.580 20 0 GHADHO Cn1cnnc1C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172082123 905293986 /nfs/dbraw/zinc/29/39/86/905293986.db2.gz JNRKVWCNRHSFIA-KOUNCHBCSA-N 1 3 379.552 3.580 20 0 GHADHO CC[C@H](C)OCC[C@H](C)[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001172342427 905509151 /nfs/dbraw/zinc/50/91/51/905509151.db2.gz YXBLLHTXJSWKEQ-SFTDATJTSA-N 1 3 389.584 3.590 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](NC2CC([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172603874 905663776 /nfs/dbraw/zinc/66/37/76/905663776.db2.gz JLWZHTCFYORVNK-OLECLDRESA-N 1 3 377.504 3.654 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C2CC(N)C2)CCN1C(=O)OC(C)(C)C ZINC001172603874 905663782 /nfs/dbraw/zinc/66/37/82/905663782.db2.gz JLWZHTCFYORVNK-OLECLDRESA-N 1 3 377.504 3.654 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H](N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172611608 905670493 /nfs/dbraw/zinc/67/04/93/905670493.db2.gz ZVMFCJOYCBHPPG-FUHWJXTLSA-N 1 3 398.469 3.773 20 0 GHADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172686631 905739033 /nfs/dbraw/zinc/73/90/33/905739033.db2.gz FRUMQPOBCKGGKC-HSZRJFAPSA-N 1 3 383.580 3.907 20 0 GHADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172686631 905739041 /nfs/dbraw/zinc/73/90/41/905739041.db2.gz FRUMQPOBCKGGKC-HSZRJFAPSA-N 1 3 383.580 3.907 20 0 GHADHO CC(C)OC(=O)CC[C@H](C)[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001172759292 905802908 /nfs/dbraw/zinc/80/29/08/905802908.db2.gz QCKYNICHVJCXJQ-IBGZPJMESA-N 1 3 387.568 3.878 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000628188243 906003737 /nfs/dbraw/zinc/00/37/37/906003737.db2.gz SPDVAJBMGRHHJP-UHFFFAOYSA-N 1 3 383.502 3.738 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206212490 906650195 /nfs/dbraw/zinc/65/01/95/906650195.db2.gz RUOVOGAZPITASJ-OALUTQOASA-N 1 3 376.447 3.771 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206212490 906650204 /nfs/dbraw/zinc/65/02/04/906650204.db2.gz RUOVOGAZPITASJ-OALUTQOASA-N 1 3 376.447 3.771 20 0 GHADHO NC1(C[NH2+]Cc2ccc(-c3cccc(Br)c3)s2)CCOCC1 ZINC000629652963 906931777 /nfs/dbraw/zinc/93/17/77/906931777.db2.gz CNZKTYRCUAIJCA-UHFFFAOYSA-N 1 3 381.339 3.775 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001175155661 907383348 /nfs/dbraw/zinc/38/33/48/907383348.db2.gz BWUMBOHONVMAEG-QHCPKHFHSA-N 1 3 385.596 3.618 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(CC(F)(F)F)cc3)cc2)C1 ZINC000631170680 907611687 /nfs/dbraw/zinc/61/16/87/907611687.db2.gz BQTQRAPWIRBITM-HXUWFJFHSA-N 1 3 378.438 3.648 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(CC(F)(F)F)cc3)cc2)C1 ZINC000631170680 907611694 /nfs/dbraw/zinc/61/16/94/907611694.db2.gz BQTQRAPWIRBITM-HXUWFJFHSA-N 1 3 378.438 3.648 20 0 GHADHO Cc1ccc([C@H](C)N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000299479626 921362984 /nfs/dbraw/zinc/36/29/84/921362984.db2.gz BPWZDMRRYGVWGK-IBGZPJMESA-N 1 3 386.584 3.564 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC001177294952 908499293 /nfs/dbraw/zinc/49/92/93/908499293.db2.gz UIRSOJOUWVNFLB-YVMONPNESA-N 1 3 385.502 3.905 20 0 GHADHO CCO[C@H](CC[NH+](C)C)CNCc1cc2c(C)nn(C(C)(C)C)c2nc1Cl ZINC001178157102 908914706 /nfs/dbraw/zinc/91/47/06/908914706.db2.gz PDPBTGYPDCVDPT-MRXNPFEDSA-N 1 3 395.979 3.595 20 0 GHADHO C[C@H](CCNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC001178463665 909065637 /nfs/dbraw/zinc/06/56/37/909065637.db2.gz SZOXLADLFMPUHV-HUUCEWRRSA-N 1 3 381.483 3.686 20 0 GHADHO CSc1cccc(N(C(=O)C2CC[NH+](C(C)C)CC2)C2CCN(C)CC2)c1 ZINC000636850466 909645741 /nfs/dbraw/zinc/64/57/41/909645741.db2.gz QPCZVXVURVJSBB-UHFFFAOYSA-N 1 3 389.609 3.956 20 0 GHADHO COc1cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc(OC)c1OC ZINC000268712655 909982666 /nfs/dbraw/zinc/98/26/66/909982666.db2.gz FKACJYKNYJIDOP-MRXNPFEDSA-N 1 3 388.508 3.504 20 0 GHADHO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000638181588 910077199 /nfs/dbraw/zinc/07/71/99/910077199.db2.gz HWCXEBJHXVYVEA-ISKFKSNPSA-N 1 3 385.596 3.725 20 0 GHADHO CC(=O)N1CC[C@H](C[N@H+](C)C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000638181588 910077209 /nfs/dbraw/zinc/07/72/09/910077209.db2.gz HWCXEBJHXVYVEA-ISKFKSNPSA-N 1 3 385.596 3.725 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001181471602 910784460 /nfs/dbraw/zinc/78/44/60/910784460.db2.gz ISBOOPAPIKTDFS-UAFMIMERSA-N 1 3 379.589 3.875 20 0 GHADHO Cc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000641773343 911510932 /nfs/dbraw/zinc/51/09/32/911510932.db2.gz HINMABGAVISSJX-HOTGVXAUSA-N 1 3 381.358 3.909 20 0 GHADHO C[C@@H](NC1CCN(CC[NH+](C)C)CC1)c1csc(-c2ccccc2F)n1 ZINC000291112351 914985870 /nfs/dbraw/zinc/98/58/70/914985870.db2.gz FMQFVLDCPWHGIC-OAHLLOKOSA-N 1 3 376.545 3.626 20 0 GHADHO CC(C)C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288887 915138824 /nfs/dbraw/zinc/13/88/24/915138824.db2.gz TYIXSRZCVAHMFU-GOTSBHOMSA-N 1 3 394.563 3.656 20 0 GHADHO CC(C)C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288887 915138831 /nfs/dbraw/zinc/13/88/31/915138831.db2.gz TYIXSRZCVAHMFU-GOTSBHOMSA-N 1 3 394.563 3.656 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)cc1CN1CCCCC1 ZINC000775365669 917192678 /nfs/dbraw/zinc/19/26/78/917192678.db2.gz YHHLFOLSVRYJPM-DENIHFKCSA-N 1 3 398.547 3.772 20 0 GHADHO Cc1ccc(C[C@H]2CCCN(CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001190682366 917510535 /nfs/dbraw/zinc/51/05/35/917510535.db2.gz HCRSRKSEUOQMQS-ISKFKSNPSA-N 1 3 393.575 3.669 20 0 GHADHO C[C@@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H]1CCN ZINC000652353838 917879350 /nfs/dbraw/zinc/87/93/50/917879350.db2.gz FJWMQDWNRHNVNN-LZNRXBQRSA-N 1 3 385.577 3.793 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H]1CCN ZINC000652353838 917879358 /nfs/dbraw/zinc/87/93/58/917879358.db2.gz FJWMQDWNRHNVNN-LZNRXBQRSA-N 1 3 385.577 3.793 20 0 GHADHO C[C@@H]1CCCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H]1CC[NH3+] ZINC000652353838 917879369 /nfs/dbraw/zinc/87/93/69/917879369.db2.gz FJWMQDWNRHNVNN-LZNRXBQRSA-N 1 3 385.577 3.793 20 0 GHADHO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000297428809 919325670 /nfs/dbraw/zinc/32/56/70/919325670.db2.gz ZMLONQTWYSWAJS-PWHSHALESA-N 1 3 398.595 3.521 20 0 GHADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccccc2Br)CC1 ZINC000298139245 920245613 /nfs/dbraw/zinc/24/56/13/920245613.db2.gz OCPUDIYHGILTOP-UHFFFAOYSA-N 1 3 382.346 3.582 20 0 GHADHO [NH3+]CCCC[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(F)cc1F ZINC000902344060 922105821 /nfs/dbraw/zinc/10/58/21/922105821.db2.gz AURMBBHHBPDQJX-KXBFYZLASA-N 1 3 378.442 3.538 20 0 GHADHO [NH3+]CCCC[C@@H](NC[C@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1F ZINC000902403929 922167140 /nfs/dbraw/zinc/16/71/40/922167140.db2.gz VMHZNWGITXIRNN-YLJYHZDGSA-N 1 3 382.495 3.700 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000902504558 922244629 /nfs/dbraw/zinc/24/46/29/922244629.db2.gz OJWQOIYOTAOKQO-UQJUWTFNSA-N 1 3 393.531 3.866 20 0 GHADHO C[C@H](CCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000680314374 925438460 /nfs/dbraw/zinc/43/84/60/925438460.db2.gz RINAXHQKLFUJNV-RTWAWAEBSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN(C4CCCC4)CC3)cc2)C1 ZINC000410366628 925575220 /nfs/dbraw/zinc/57/52/20/925575220.db2.gz HPQSMGSTVGOWOL-FQEVSTJZSA-N 1 3 398.595 3.688 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN(C4CCCC4)CC3)cc2)C1 ZINC000410366628 925575226 /nfs/dbraw/zinc/57/52/26/925575226.db2.gz HPQSMGSTVGOWOL-FQEVSTJZSA-N 1 3 398.595 3.688 20 0 GHADHO CCC(CC)(NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411367853 926340645 /nfs/dbraw/zinc/34/06/45/926340645.db2.gz SKIGBMMYRQNZLA-UHFFFAOYSA-N 1 3 379.976 3.934 20 0 GHADHO O=C1CC[C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]2N1C1CC1 ZINC000411402332 926362947 /nfs/dbraw/zinc/36/29/47/926362947.db2.gz ZZCVBZZUURVZLB-GMAHTHKFSA-N 1 3 381.564 3.648 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)CC1 ZINC000411478502 926444936 /nfs/dbraw/zinc/44/49/36/926444936.db2.gz KNTVEWMHMOMXOT-VMRPVKRXSA-N 1 3 377.960 3.616 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](Cc2ccccc2)c2sccc2C)CC1 ZINC000411517012 926475546 /nfs/dbraw/zinc/47/55/46/926475546.db2.gz LHCJLLRMTTXGDK-HXUWFJFHSA-N 1 3 385.577 3.530 20 0 GHADHO CSc1ccccc1NC(=O)CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518830 926485283 /nfs/dbraw/zinc/48/52/83/926485283.db2.gz QKSVRFDCYCQZQP-SJORKVTESA-N 1 3 375.582 3.980 20 0 GHADHO CSc1ccccc1NC(=O)CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518830 926485289 /nfs/dbraw/zinc/48/52/89/926485289.db2.gz QKSVRFDCYCQZQP-SJORKVTESA-N 1 3 375.582 3.980 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000411549827 926510996 /nfs/dbraw/zinc/51/09/96/926510996.db2.gz ICPPKUARWVVJTM-UGKGYDQZSA-N 1 3 397.563 3.895 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000411549827 926511008 /nfs/dbraw/zinc/51/10/08/926511008.db2.gz ICPPKUARWVVJTM-UGKGYDQZSA-N 1 3 397.563 3.895 20 0 GHADHO CC(C)[NH+](CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(C)C ZINC000470225493 930466873 /nfs/dbraw/zinc/46/68/73/930466873.db2.gz AUZUNNDDKRHTIE-FQEVSTJZSA-N 1 3 377.548 3.663 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000781885732 931011291 /nfs/dbraw/zinc/01/12/91/931011291.db2.gz UNNJZJHPZZTGQI-HXUWFJFHSA-N 1 3 379.589 3.974 20 0 GHADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000557357057 931370956 /nfs/dbraw/zinc/37/09/56/931370956.db2.gz FMLXLMVDFHDADW-FQEVSTJZSA-N 1 3 377.960 3.543 20 0 GHADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000557357057 931370965 /nfs/dbraw/zinc/37/09/65/931370965.db2.gz FMLXLMVDFHDADW-FQEVSTJZSA-N 1 3 377.960 3.543 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611632 931445102 /nfs/dbraw/zinc/44/51/02/931445102.db2.gz ZFBUMRCAVZHXHE-OTWHNJEPSA-N 1 3 382.552 3.679 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611632 931445108 /nfs/dbraw/zinc/44/51/08/931445108.db2.gz ZFBUMRCAVZHXHE-OTWHNJEPSA-N 1 3 382.552 3.679 20 0 GHADHO Cc1nc(-c2cc([C@@H](C)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)cs2)cs1 ZINC000925855391 931923475 /nfs/dbraw/zinc/92/34/75/931923475.db2.gz UTJCVHTZBDIVFF-DOMZBBRYSA-N 1 3 391.562 3.516 20 0 GHADHO Cc1c(F)cccc1-c1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000558418287 931991507 /nfs/dbraw/zinc/99/15/07/931991507.db2.gz DXLWLIUMWMTXCA-UHFFFAOYSA-N 1 3 385.527 3.854 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000796797343 932071184 /nfs/dbraw/zinc/07/11/84/932071184.db2.gz UHQXIBFXIGUDAA-QPXUXIHVSA-N 1 3 380.532 3.761 20 0 GHADHO Cc1ccc([C@H](NCC2CC[NH+](C3CCOCC3)CC2)c2ccccn2)cc1 ZINC000926677002 932268939 /nfs/dbraw/zinc/26/89/39/932268939.db2.gz NDYQKAWCQYCINZ-DEOSSOPVSA-N 1 3 379.548 3.960 20 0 GHADHO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)n1 ZINC000927051401 932391277 /nfs/dbraw/zinc/39/12/77/932391277.db2.gz FCTSAOLGANWOPB-QSUVIHHLSA-N 1 3 380.536 3.911 20 0 GHADHO CCCC[N@H+](C)CC1CCN([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048989 932395099 /nfs/dbraw/zinc/39/50/99/932395099.db2.gz AYJCALXZKRZYFS-GCJKJVERSA-N 1 3 389.559 3.932 20 0 GHADHO CCCC[N@@H+](C)CC1CCN([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048989 932395106 /nfs/dbraw/zinc/39/51/06/932395106.db2.gz AYJCALXZKRZYFS-GCJKJVERSA-N 1 3 389.559 3.932 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000927154296 932433921 /nfs/dbraw/zinc/43/39/21/932433921.db2.gz DORTWSMZUBSPBD-NWYALFIFSA-N 1 3 376.544 3.722 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000927154296 932433925 /nfs/dbraw/zinc/43/39/25/932433925.db2.gz DORTWSMZUBSPBD-NWYALFIFSA-N 1 3 376.544 3.722 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000927154296 932433937 /nfs/dbraw/zinc/43/39/37/932433937.db2.gz DORTWSMZUBSPBD-NWYALFIFSA-N 1 3 376.544 3.722 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184575 932555515 /nfs/dbraw/zinc/55/55/15/932555515.db2.gz YCOXPODXOGTWIC-DLBZAZTESA-N 1 3 377.598 3.815 20 0 GHADHO C[C@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933992 932822072 /nfs/dbraw/zinc/82/20/72/932822072.db2.gz ALZOKYBVBBLMGI-CYFREDJKSA-N 1 3 392.547 3.779 20 0 GHADHO C[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933992 932822078 /nfs/dbraw/zinc/82/20/78/932822078.db2.gz ALZOKYBVBBLMGI-CYFREDJKSA-N 1 3 392.547 3.779 20 0 GHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000559890377 932925380 /nfs/dbraw/zinc/92/53/80/932925380.db2.gz FLFIGAYZKFJWGM-XPWALMASSA-N 1 3 398.591 3.853 20 0 GHADHO NC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000560537914 933323367 /nfs/dbraw/zinc/32/33/67/933323367.db2.gz VBPKXSRGCFRDGI-WXFUMESZSA-N 1 3 391.559 3.608 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)c2)CC1 ZINC001116531739 933614877 /nfs/dbraw/zinc/61/48/77/933614877.db2.gz FPPWPPHBJVQFTJ-VWLOTQADSA-N 1 3 393.575 3.692 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3cccc(OC)c3)CC2)CC1 ZINC000561103770 933868206 /nfs/dbraw/zinc/86/82/06/933868206.db2.gz OROXMVMUKXPKRB-HSZRJFAPSA-N 1 3 399.579 3.555 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CCC2(CCNC2=O)CC1)c1ccccc1 ZINC000931608022 934642276 /nfs/dbraw/zinc/64/22/76/934642276.db2.gz MHULRGDJOWJNAO-QHCPKHFHSA-N 1 3 391.559 3.504 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](CN1CCC2(CCNC2=O)CC1)c1ccccc1 ZINC000931608022 934642280 /nfs/dbraw/zinc/64/22/80/934642280.db2.gz MHULRGDJOWJNAO-QHCPKHFHSA-N 1 3 391.559 3.504 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC001626101203 1014885592 /nfs/dbraw/zinc/88/55/92/1014885592.db2.gz FKXJVXYBGCUINY-HSZRJFAPSA-N 1 3 389.559 3.891 20 0 GHADHO CN1CCC([N@@H+]2CC[C@H](N[C@@H](c3ccc(Cl)cc3)c3ccccn3)C2)CC1 ZINC000925041305 1017031554 /nfs/dbraw/zinc/03/15/54/1017031554.db2.gz MZRVOYFNOLKMBU-UGKGYDQZSA-N 1 3 384.955 3.583 20 0 GHADHO CN1CCC([N@H+]2CC[C@H](N[C@@H](c3ccc(Cl)cc3)c3ccccn3)C2)CC1 ZINC000925041305 1017031568 /nfs/dbraw/zinc/03/15/68/1017031568.db2.gz MZRVOYFNOLKMBU-UGKGYDQZSA-N 1 3 384.955 3.583 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC001204224155 1032670589 /nfs/dbraw/zinc/67/05/89/1032670589.db2.gz NLRMDKRXSJBXFB-IBGZPJMESA-N 1 3 387.474 3.615 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC001204224155 1032670596 /nfs/dbraw/zinc/67/05/96/1032670596.db2.gz NLRMDKRXSJBXFB-IBGZPJMESA-N 1 3 387.474 3.615 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC001204224155 1032670607 /nfs/dbraw/zinc/67/06/07/1032670607.db2.gz NLRMDKRXSJBXFB-IBGZPJMESA-N 1 3 387.474 3.615 20 0 GHADHO [NH3+]CCC[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1 ZINC000925612080 1017113010 /nfs/dbraw/zinc/11/30/10/1017113010.db2.gz ICQAOEWUZBSCIQ-QFIPXVFZSA-N 1 3 377.488 3.779 20 0 GHADHO C[C@@H](N)[C@@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1 ZINC000925659318 1017129200 /nfs/dbraw/zinc/12/92/00/1017129200.db2.gz LRNXTXSFFKZYPX-WZONZLPQSA-N 1 3 390.531 3.984 20 0 GHADHO CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CCOCC1 ZINC000925837579 1017158068 /nfs/dbraw/zinc/15/80/68/1017158068.db2.gz QYPHFTSGFAVKNA-DNQXCXABSA-N 1 3 393.575 3.751 20 0 GHADHO CC[N@H+](Cc1ccc(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)cc1)C1CC1 ZINC000579063582 1020385616 /nfs/dbraw/zinc/38/56/16/1020385616.db2.gz MCFISZNTXCIIID-OALUTQOASA-N 1 3 379.508 3.576 20 0 GHADHO CC[N@@H+](Cc1ccc(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)cc1)C1CC1 ZINC000579063582 1020385626 /nfs/dbraw/zinc/38/56/26/1020385626.db2.gz MCFISZNTXCIIID-OALUTQOASA-N 1 3 379.508 3.576 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](c2ccccc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000579275436 1020400253 /nfs/dbraw/zinc/40/02/53/1020400253.db2.gz XINXAMQXIATQDR-ZODMCCGTSA-N 1 3 393.575 3.703 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](c2ccccc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000579275436 1020400259 /nfs/dbraw/zinc/40/02/59/1020400259.db2.gz XINXAMQXIATQDR-ZODMCCGTSA-N 1 3 393.575 3.703 20 0 GHADHO CO[C@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CCOCC1 ZINC000638530532 1021047048 /nfs/dbraw/zinc/04/70/48/1021047048.db2.gz NBTFJSYZOWOSKH-OAQYLSRUSA-N 1 3 380.960 3.583 20 0 GHADHO CN(Cc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1)C1CC1 ZINC001156318109 1032981658 /nfs/dbraw/zinc/98/16/58/1032981658.db2.gz QJJBDEWZKKHDMK-YMPZKCBVSA-N 1 3 376.548 3.998 20 0 GHADHO CN(Cc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1)C1CC1 ZINC001156318109 1032981660 /nfs/dbraw/zinc/98/16/60/1032981660.db2.gz QJJBDEWZKKHDMK-YMPZKCBVSA-N 1 3 376.548 3.998 20 0 GHADHO Brc1ccc([C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)[C@H]2CCCO2)cc1 ZINC000679331699 1021988160 /nfs/dbraw/zinc/98/81/60/1021988160.db2.gz MVRZKJSOQVUXOB-KYNGSXCRSA-N 1 3 379.342 3.743 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc(Cl)n1 ZINC000827463935 1022222882 /nfs/dbraw/zinc/22/28/82/1022222882.db2.gz LNUORXRASJZBGK-IBGZPJMESA-N 1 3 392.975 3.548 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc(Cl)n1 ZINC000827463935 1022222887 /nfs/dbraw/zinc/22/28/87/1022222887.db2.gz LNUORXRASJZBGK-IBGZPJMESA-N 1 3 392.975 3.548 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccnc1Cl)CC2 ZINC001137423305 1022230173 /nfs/dbraw/zinc/23/01/73/1022230173.db2.gz ATJPSAPMDBBYNC-FQEVSTJZSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccnc1Cl)CC2 ZINC001137423305 1022230182 /nfs/dbraw/zinc/23/01/82/1022230182.db2.gz ATJPSAPMDBBYNC-FQEVSTJZSA-N 1 3 385.939 3.991 20 0 GHADHO CN1CCN(Cc2ccc(Nc3ccc(CC[NH+]4CCCC4)cc3)cc2)CC1 ZINC001204747405 1033062531 /nfs/dbraw/zinc/06/25/31/1033062531.db2.gz VDFAFCMCOLRMKQ-UHFFFAOYSA-N 1 3 378.564 3.816 20 0 GHADHO Cc1c2ccccc2sc1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001138461226 1024889155 /nfs/dbraw/zinc/88/91/55/1024889155.db2.gz CNTXVVPJEZAJMV-UHFFFAOYSA-N 1 3 395.572 3.534 20 0 GHADHO Cc1c2ccccc2sc1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001138461226 1024889175 /nfs/dbraw/zinc/88/91/75/1024889175.db2.gz CNTXVVPJEZAJMV-UHFFFAOYSA-N 1 3 395.572 3.534 20 0 GHADHO Cc1nccn1-c1ccc(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001138544551 1024988087 /nfs/dbraw/zinc/98/80/87/1024988087.db2.gz LFGVSDJMKHXWKT-WOJBJXKFSA-N 1 3 378.545 3.806 20 0 GHADHO Cc1nccn1-c1ccc(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001138544551 1024988095 /nfs/dbraw/zinc/98/80/95/1024988095.db2.gz LFGVSDJMKHXWKT-WOJBJXKFSA-N 1 3 378.545 3.806 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1cnc(C(F)(F)F)nc1)CC2 ZINC001141455523 1025106589 /nfs/dbraw/zinc/10/65/89/1025106589.db2.gz BBZAIFLINFKENP-QGZVFWFLSA-N 1 3 394.441 3.965 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1cnc(C(F)(F)F)nc1)CC2 ZINC001141455523 1025106596 /nfs/dbraw/zinc/10/65/96/1025106596.db2.gz BBZAIFLINFKENP-QGZVFWFLSA-N 1 3 394.441 3.965 20 0 GHADHO CCSc1ncc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC001138655343 1025171241 /nfs/dbraw/zinc/17/12/41/1025171241.db2.gz ITNWUGMWEOEQBD-UHFFFAOYSA-N 1 3 397.592 3.860 20 0 GHADHO CCSc1ncc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC001138655343 1025171250 /nfs/dbraw/zinc/17/12/50/1025171250.db2.gz ITNWUGMWEOEQBD-UHFFFAOYSA-N 1 3 397.592 3.860 20 0 GHADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001229073826 1033263859 /nfs/dbraw/zinc/26/38/59/1033263859.db2.gz ONEQSWMALYRSMS-YADHBBJMSA-N 1 3 394.563 3.538 20 0 GHADHO CCCn1cc(C[NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)cn1 ZINC001139039158 1025816394 /nfs/dbraw/zinc/81/63/94/1025816394.db2.gz ROIPCHQKRLSTEW-IBGZPJMESA-N 1 3 388.581 3.610 20 0 GHADHO CCOc1ccncc1C[N@@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001139629202 1026495746 /nfs/dbraw/zinc/49/57/46/1026495746.db2.gz BXGPUZQMZSUKPH-NYVOZVTQSA-N 1 3 380.536 3.608 20 0 GHADHO CCOc1ccncc1C[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001139629202 1026495752 /nfs/dbraw/zinc/49/57/52/1026495752.db2.gz BXGPUZQMZSUKPH-NYVOZVTQSA-N 1 3 380.536 3.608 20 0 GHADHO COCCn1cc(CN2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)cn1 ZINC001139780378 1026609714 /nfs/dbraw/zinc/60/97/14/1026609714.db2.gz ZIRKWVIIVRWGCD-UHFFFAOYSA-N 1 3 396.579 3.716 20 0 GHADHO Cc1ccccc1-c1cccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC001461146066 1069412343 /nfs/dbraw/zinc/41/23/43/1069412343.db2.gz NFOPPZSNKHDAHY-UHFFFAOYSA-N 1 3 379.548 3.694 20 0 GHADHO COc1ccccc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001203432701 1027336200 /nfs/dbraw/zinc/33/62/00/1027336200.db2.gz SYKYHWZYCBVKQH-QFIPXVFZSA-N 1 3 380.532 3.951 20 0 GHADHO COc1ccccc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001203432701 1027336213 /nfs/dbraw/zinc/33/62/13/1027336213.db2.gz SYKYHWZYCBVKQH-QFIPXVFZSA-N 1 3 380.532 3.951 20 0 GHADHO COc1cccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC001203818846 1027630872 /nfs/dbraw/zinc/63/08/72/1027630872.db2.gz LLNSGRNFXPAGOW-JOCHJYFZSA-N 1 3 380.532 3.951 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001461286432 1069481244 /nfs/dbraw/zinc/48/12/44/1069481244.db2.gz PDLGAIFLEZIMMI-QZTJIDSGSA-N 1 3 375.520 3.718 20 0 GHADHO C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000840865732 1027902282 /nfs/dbraw/zinc/90/22/82/1027902282.db2.gz VFMSEARLGKMRTR-VLCRHTCISA-N 1 3 381.520 3.607 20 0 GHADHO CCOc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)ccc1OC(=O)CC ZINC000840911751 1027946116 /nfs/dbraw/zinc/94/61/16/1027946116.db2.gz OUZHJAQXKOCOHH-UHFFFAOYSA-N 1 3 376.541 3.953 20 0 GHADHO CCOc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC(=O)CC ZINC000840911751 1027946120 /nfs/dbraw/zinc/94/61/20/1027946120.db2.gz OUZHJAQXKOCOHH-UHFFFAOYSA-N 1 3 376.541 3.953 20 0 GHADHO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCC[C@@H]1CC[NH2+]C1 ZINC000841037445 1028059701 /nfs/dbraw/zinc/05/97/01/1028059701.db2.gz TUOLTBJXOQQLBR-ZDUSSCGKSA-N 1 3 386.849 3.942 20 0 GHADHO CCO[C@H](CC[NH+](C)C)CNCc1cc(Cl)c(C)cc1Br ZINC001461342983 1069509295 /nfs/dbraw/zinc/50/92/95/1069509295.db2.gz FMKDRUOATQNROC-CQSZACIVSA-N 1 3 377.754 3.857 20 0 GHADHO Cc1cc(C)c(/C=C/CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1C ZINC001461352178 1069514165 /nfs/dbraw/zinc/51/41/65/1069514165.db2.gz BQSHRSUZZVRFCY-LUFJGRFYSA-N 1 3 393.575 3.504 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1c[nH]nc1-c1ccc(C)o1 ZINC001461585497 1069623954 /nfs/dbraw/zinc/62/39/54/1069623954.db2.gz NANOBZGGVFAPOT-IFMALSPDSA-N 1 3 394.519 3.605 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1c[nH]nc1-c1ccc(C)o1 ZINC001461585497 1069623960 /nfs/dbraw/zinc/62/39/60/1069623960.db2.gz NANOBZGGVFAPOT-IFMALSPDSA-N 1 3 394.519 3.605 20 0 GHADHO COc1cc(CN2CCCC3(CCCC[NH2+]C3)CCC2)c(Br)cn1 ZINC001222120097 1029970942 /nfs/dbraw/zinc/97/09/42/1029970942.db2.gz RCEOUPIQAMRYOH-UHFFFAOYSA-N 1 3 396.373 3.989 20 0 GHADHO CC1(C)C[C@@H](C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CCO1 ZINC001222576210 1030207375 /nfs/dbraw/zinc/20/73/75/1030207375.db2.gz RWYPQIQYQHSSBC-FCHUYYIVSA-N 1 3 386.580 3.995 20 0 GHADHO CC1(C)C[C@@H](C[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CCO1 ZINC001222576210 1030207393 /nfs/dbraw/zinc/20/73/93/1030207393.db2.gz RWYPQIQYQHSSBC-FCHUYYIVSA-N 1 3 386.580 3.995 20 0 GHADHO Brc1cccc(-c2ccncc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222623534 1030245599 /nfs/dbraw/zinc/24/55/99/1030245599.db2.gz LTMNXGSQXKXZRL-CALCHBBNSA-N 1 3 386.337 3.943 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N(C)C)cc1 ZINC001223474234 1030589174 /nfs/dbraw/zinc/58/91/74/1030589174.db2.gz FOJXYANLAUSCQE-UXHICEINSA-N 1 3 376.589 3.517 20 0 GHADHO CCN1CCN(Cc2ccc(NC(=O)c3cccc([C@@H]4CCC[NH2+]4)c3)cc2)CC1 ZINC001218845426 1031110355 /nfs/dbraw/zinc/11/03/55/1031110355.db2.gz ADJKCBZSECAUNX-QHCPKHFHSA-N 1 3 392.547 3.501 20 0 GHADHO CN1Cc2c(NC(=O)[C@@H]3[C@H]([NH3+])[C@H]4CC[C@@H]3C4)cccc2[C@H](c2ccccc2)C1 ZINC001219047041 1031229952 /nfs/dbraw/zinc/22/99/52/1031229952.db2.gz OVMIPAYZDJGLAW-QZVUJWGUSA-N 1 3 375.516 3.576 20 0 GHADHO O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001220162120 1031810262 /nfs/dbraw/zinc/81/02/62/1031810262.db2.gz HRNGPYPHBYTGKK-CZTZKLFOSA-N 1 3 389.971 3.591 20 0 GHADHO C[NH+]1C(C)(C)CC(NC(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC001220511430 1031971469 /nfs/dbraw/zinc/97/14/69/1031971469.db2.gz XEELAHJGHCFIRN-MRXNPFEDSA-N 1 3 385.474 3.863 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC001220621657 1032022037 /nfs/dbraw/zinc/02/20/37/1032022037.db2.gz JFKNYQXAYCJHPV-OAQYLSRUSA-N 1 3 380.621 3.650 20 0 GHADHO N=C(NCCCC[NH3+])Nc1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC001157099681 1033412937 /nfs/dbraw/zinc/41/29/37/1033412937.db2.gz SKZYZPJFENPOIK-UHFFFAOYSA-N 1 3 380.521 3.911 20 0 GHADHO COCCN(Cc1cnc(-c2ccccc2F)s1)CC1CC[NH+](C)CC1 ZINC001207076017 1034081493 /nfs/dbraw/zinc/08/14/93/1034081493.db2.gz KKZKDVQYUNKSOA-UHFFFAOYSA-N 1 3 377.529 3.739 20 0 GHADHO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@@H]1CN(Cc3ccccc3)C[C@@H]1C)C2 ZINC001207102374 1034094188 /nfs/dbraw/zinc/09/41/88/1034094188.db2.gz OIKMNBNQKWLKSE-PUYHXZAOSA-N 1 3 384.564 3.856 20 0 GHADHO CC[NH+](CC)CCCN1CCN(CCCc2ccc(Br)cc2)CC1 ZINC001207322411 1034271039 /nfs/dbraw/zinc/27/10/39/1034271039.db2.gz OTWFFMBOZHLDIS-UHFFFAOYSA-N 1 3 396.417 3.731 20 0 GHADHO CCCN(CCC[NH+](C)C)C[C@@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001207827926 1034604496 /nfs/dbraw/zinc/60/44/96/1034604496.db2.gz PTDIAIROJDDXAF-DLBZAZTESA-N 1 3 391.547 3.788 20 0 GHADHO CC(C)(C)Oc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460423 1034606249 /nfs/dbraw/zinc/60/62/49/1034606249.db2.gz IPSYXTILOTVYLB-UHFFFAOYSA-N 1 3 393.535 3.563 20 0 GHADHO CC(C)(C)c1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001159466050 1034608492 /nfs/dbraw/zinc/60/84/92/1034608492.db2.gz CBTABARKURVTQX-UHFFFAOYSA-N 1 3 377.536 3.684 20 0 GHADHO CN(C)CC1(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)CCCC1 ZINC001208186503 1034783121 /nfs/dbraw/zinc/78/31/21/1034783121.db2.gz VQERYFRFFKSJLO-UHFFFAOYSA-N 1 3 391.625 3.537 20 0 GHADHO CC(=O)N1CCCCC12CCN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208937223 1035104273 /nfs/dbraw/zinc/10/42/73/1035104273.db2.gz RUJMACXARAEYDA-HSZRJFAPSA-N 1 3 383.580 3.766 20 0 GHADHO CC(=O)N1CCCCC12CCN(C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208937223 1035104283 /nfs/dbraw/zinc/10/42/83/1035104283.db2.gz RUJMACXARAEYDA-HSZRJFAPSA-N 1 3 383.580 3.766 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](C[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208941876 1035112456 /nfs/dbraw/zinc/11/24/56/1035112456.db2.gz NNTRRNJXGKVZCW-URXFXBBRSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+](C[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208941876 1035112461 /nfs/dbraw/zinc/11/24/61/1035112461.db2.gz NNTRRNJXGKVZCW-URXFXBBRSA-N 1 3 399.579 3.984 20 0 GHADHO O=c1oc2ccccc2n1C1CC[NH+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208947710 1035117591 /nfs/dbraw/zinc/11/75/91/1035117591.db2.gz BZSYSWLQAIEDCW-FQEVSTJZSA-N 1 3 391.515 3.754 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952534 1035125864 /nfs/dbraw/zinc/12/58/64/1035125864.db2.gz KDASLHNHYRGYKK-RTWAWAEBSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952534 1035125866 /nfs/dbraw/zinc/12/58/66/1035125866.db2.gz KDASLHNHYRGYKK-RTWAWAEBSA-N 1 3 387.568 3.888 20 0 GHADHO C[C@H]1C[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958614 1035129247 /nfs/dbraw/zinc/12/92/47/1035129247.db2.gz PWOUNHGPPJWQCG-PZJWPPBQSA-N 1 3 387.568 3.840 20 0 GHADHO C[C@H]1C[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958614 1035129256 /nfs/dbraw/zinc/12/92/56/1035129256.db2.gz PWOUNHGPPJWQCG-PZJWPPBQSA-N 1 3 387.568 3.840 20 0 GHADHO COc1cc2c(cc1OC)[C@@H](CN(C)C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208956446 1035130674 /nfs/dbraw/zinc/13/06/74/1035130674.db2.gz ICZKBXNHJDCDKS-TZIWHRDSSA-N 1 3 380.532 3.797 20 0 GHADHO COc1cc2c(cc1OC)[C@@H](CN(C)C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208956446 1035130677 /nfs/dbraw/zinc/13/06/77/1035130677.db2.gz ICZKBXNHJDCDKS-TZIWHRDSSA-N 1 3 380.532 3.797 20 0 GHADHO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1cc(F)cc(CN(C)C)c1)CC2 ZINC001232152449 1035131819 /nfs/dbraw/zinc/13/18/19/1035131819.db2.gz XWHZNFYDVCLJQH-GOSISDBHSA-N 1 3 376.516 3.833 20 0 GHADHO Cc1ccc(C[NH+]2C[C@@H]3CN(CCCCNC(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001209364353 1035255032 /nfs/dbraw/zinc/25/50/32/1035255032.db2.gz WNNNYZQNYAMIQK-SFTDATJTSA-N 1 3 387.568 3.664 20 0 GHADHO O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001209450826 1035277148 /nfs/dbraw/zinc/27/71/48/1035277148.db2.gz CRYXMTZIXFCWLS-UHFFFAOYSA-N 1 3 389.609 3.942 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001462117563 1070008632 /nfs/dbraw/zinc/00/86/32/1070008632.db2.gz RJCSDTLMTVLKPQ-REWPJTCUSA-N 1 3 389.559 3.760 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001462117563 1070008659 /nfs/dbraw/zinc/00/86/59/1070008659.db2.gz RJCSDTLMTVLKPQ-REWPJTCUSA-N 1 3 389.559 3.760 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+]CC2(CCOCc3ccccc3)CC2)CC1 ZINC001462125638 1070017113 /nfs/dbraw/zinc/01/71/13/1070017113.db2.gz JAENQQOBXZUAFH-UHFFFAOYSA-N 1 3 386.580 3.997 20 0 GHADHO CC(C)(Cc1cccc(C(F)(F)F)c1)NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245999945 1037121627 /nfs/dbraw/zinc/12/16/27/1037121627.db2.gz LIRYFSWVDPEPFI-RBUKOAKNSA-N 1 3 380.454 3.547 20 0 GHADHO Fc1ccccc1C1(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)CCOCC1 ZINC001246178800 1037224005 /nfs/dbraw/zinc/22/40/05/1037224005.db2.gz OHMQYZPLKBENRN-LEWJYISDSA-N 1 3 382.523 3.827 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246238322 1037250234 /nfs/dbraw/zinc/25/02/34/1037250234.db2.gz KTOYYAPLUIPVPC-ZEQRLZLVSA-N 1 3 381.539 3.743 20 0 GHADHO CC[C@@H]1C[C@@H](N[C@@H]2Cc3ccc(I)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246274226 1037271097 /nfs/dbraw/zinc/27/10/97/1037271097.db2.gz XKPABGNEXZOHOF-XMTFNYHQSA-N 1 3 398.332 3.657 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246281643 1037274125 /nfs/dbraw/zinc/27/41/25/1037274125.db2.gz OTDQGVLBRMZRNS-PCJLFUNRSA-N 1 3 382.589 3.753 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246281643 1037274143 /nfs/dbraw/zinc/27/41/43/1037274143.db2.gz OTDQGVLBRMZRNS-PCJLFUNRSA-N 1 3 382.589 3.753 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246281643 1037274158 /nfs/dbraw/zinc/27/41/58/1037274158.db2.gz OTDQGVLBRMZRNS-PCJLFUNRSA-N 1 3 382.589 3.753 20 0 GHADHO Fc1cc(F)cc(CN2CCC([NH2+][C@@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246357574 1037316200 /nfs/dbraw/zinc/31/62/00/1037316200.db2.gz BEMYENKENNHLNN-RPWUZVMVSA-N 1 3 399.529 3.882 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H](N[C@@H]2CCN(Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246362171 1037322940 /nfs/dbraw/zinc/32/29/40/1037322940.db2.gz NXLLDXZMOBLSOG-QZNHQXDQSA-N 1 3 385.502 3.930 20 0 GHADHO COc1ccc(CC[C@@H](C)[NH2+]C2(Cc3cccc(OC)c3)CCNCC2)cc1 ZINC001246377813 1037334130 /nfs/dbraw/zinc/33/41/30/1037334130.db2.gz MEGLJRCRJTVUBS-LJQANCHMSA-N 1 3 382.548 3.979 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CCNCC2(C)C)CC1 ZINC001246378221 1037334746 /nfs/dbraw/zinc/33/47/46/1037334746.db2.gz UJNNNTAUYQZRKH-WBTXTPOCSA-N 1 3 378.944 3.671 20 0 GHADHO CCOC(=O)CC1CCC([NH2+]C2(Cc3ccccc3F)CCNCC2)CC1 ZINC001246380834 1037339754 /nfs/dbraw/zinc/33/97/54/1037339754.db2.gz KSQAIVJATAWRHC-UHFFFAOYSA-N 1 3 376.516 3.592 20 0 GHADHO CCCC[C@@H]1C[C@@H](N[C@@H]2CCCN(c3nc4ccccc4n3CC)C2)CC[NH2+]1 ZINC001246403976 1037362420 /nfs/dbraw/zinc/36/24/20/1037362420.db2.gz GJIPUTGRWNFVFY-HSALFYBXSA-N 1 3 383.584 3.925 20 0 GHADHO CC[C@@H]1CC(N[C@H]2CCCN(c3nc4ccccc4n3CC)C2)C[C@@H](CC)[NH2+]1 ZINC001246408615 1037364263 /nfs/dbraw/zinc/36/42/63/1037364263.db2.gz VXFIPPRJLYDFSZ-QRVBRYPASA-N 1 3 383.584 3.924 20 0 GHADHO COc1cccc(C2([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c4C3)CCNCC2)c1 ZINC001246414802 1037369744 /nfs/dbraw/zinc/36/97/44/1037369744.db2.gz IQLBCVDBKFPMLF-MRXNPFEDSA-N 1 3 390.449 3.838 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H](NC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246428702 1037387741 /nfs/dbraw/zinc/38/77/41/1037387741.db2.gz BUPRWPQIKVBVFE-FUHWJXTLSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCNCC2)C1 ZINC001246428702 1037387761 /nfs/dbraw/zinc/38/77/61/1037387761.db2.gz BUPRWPQIKVBVFE-FUHWJXTLSA-N 1 3 398.469 3.692 20 0 GHADHO O=C1CCCCN1c1ccc(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246435237 1037397043 /nfs/dbraw/zinc/39/70/43/1037397043.db2.gz PABFSRLMFMAIOQ-FGZHOGPDSA-N 1 3 377.532 3.656 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)CC1 ZINC001246439231 1037402786 /nfs/dbraw/zinc/40/27/86/1037402786.db2.gz WEEPBULLAXMQCH-PKOBYXMFSA-N 1 3 378.944 3.716 20 0 GHADHO CCCC[C@@H]1C[C@H](NCCc2ccc(OCC(=O)OC(C)(C)C)cc2)CC[NH2+]1 ZINC001246483201 1037430584 /nfs/dbraw/zinc/43/05/84/1037430584.db2.gz KJWCSBZWPCGUQO-WOJBJXKFSA-N 1 3 390.568 3.850 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246483201 1037430597 /nfs/dbraw/zinc/43/05/97/1037430597.db2.gz KJWCSBZWPCGUQO-WOJBJXKFSA-N 1 3 390.568 3.850 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC[C@H](N)C(=O)SCc1ccccc1)C2 ZINC001246494291 1037439666 /nfs/dbraw/zinc/43/96/66/1037439666.db2.gz XZPGEBCZDAASSI-BURNTYAHSA-N 1 3 389.609 3.549 20 0 GHADHO c1ccc(COc2ccc3c(c2)C[C@H]([NH+]2CCC4(CC2)CNCCO4)CC3)cc1 ZINC001246601543 1037499556 /nfs/dbraw/zinc/49/95/56/1037499556.db2.gz JLYDXUJLNNRKGS-HSZRJFAPSA-N 1 3 392.543 3.577 20 0 GHADHO c1ccc(N2CCC([N@@H+]3CC[C@]4(c5ccccc5)CCNC[C@H]4C3)CC2)cc1 ZINC001246673091 1037537024 /nfs/dbraw/zinc/53/70/24/1037537024.db2.gz OAXZKDILSZZFAH-DHLKQENFSA-N 1 3 375.560 3.909 20 0 GHADHO c1ccc(N2CCC([N@H+]3CC[C@]4(c5ccccc5)CCNC[C@H]4C3)CC2)cc1 ZINC001246673091 1037537040 /nfs/dbraw/zinc/53/70/40/1037537040.db2.gz OAXZKDILSZZFAH-DHLKQENFSA-N 1 3 375.560 3.909 20 0 GHADHO CCOC(=O)CC1CCC([N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246671053 1037537370 /nfs/dbraw/zinc/53/73/70/1037537370.db2.gz FVXAWOCGSXHGCR-DOHOZAFYSA-N 1 3 384.564 3.752 20 0 GHADHO CCOC(=O)CC1CCC([N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246671053 1037537385 /nfs/dbraw/zinc/53/73/85/1037537385.db2.gz FVXAWOCGSXHGCR-DOHOZAFYSA-N 1 3 384.564 3.752 20 0 GHADHO Cn1cnc2c1cc(C1CCN([C@H]3CCC[NH2+]CC3)CC1)nc2-c1ccccc1 ZINC001246696112 1037553283 /nfs/dbraw/zinc/55/32/83/1037553283.db2.gz PQXOCQRNBWXDFL-FQEVSTJZSA-N 1 3 389.547 3.957 20 0 GHADHO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@@H]4CCN[C@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710864 1037563459 /nfs/dbraw/zinc/56/34/59/1037563459.db2.gz URPJZCGGWJMGFG-RCTAOEEJSA-N 1 3 375.560 3.852 20 0 GHADHO Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@@H]4CCN[C@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710864 1037563475 /nfs/dbraw/zinc/56/34/75/1037563475.db2.gz URPJZCGGWJMGFG-RCTAOEEJSA-N 1 3 375.560 3.852 20 0 GHADHO CC[C@@H]1[N@@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727752 1037577226 /nfs/dbraw/zinc/57/72/26/1037577226.db2.gz WDYLTUNNVKCPDV-MXBUBSDBSA-N 1 3 375.601 3.799 20 0 GHADHO CC[C@@H]1[N@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727752 1037577238 /nfs/dbraw/zinc/57/72/38/1037577238.db2.gz WDYLTUNNVKCPDV-MXBUBSDBSA-N 1 3 375.601 3.799 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CCN1 ZINC001246747757 1037587203 /nfs/dbraw/zinc/58/72/03/1037587203.db2.gz RLGQHYFDBXLTPI-GBAAUQCPSA-N 1 3 383.580 3.635 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CCN1 ZINC001246747757 1037587214 /nfs/dbraw/zinc/58/72/14/1037587214.db2.gz RLGQHYFDBXLTPI-GBAAUQCPSA-N 1 3 383.580 3.635 20 0 GHADHO O=C1C[C@]2(CC[N@@H+]([C@H]3CCN[C@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752427 1037592364 /nfs/dbraw/zinc/59/23/64/1037592364.db2.gz CCTILGVCBLADIC-QTEQDKRBSA-N 1 3 395.572 3.540 20 0 GHADHO O=C1C[C@]2(CC[N@H+]([C@H]3CCN[C@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752427 1037592378 /nfs/dbraw/zinc/59/23/78/1037592378.db2.gz CCTILGVCBLADIC-QTEQDKRBSA-N 1 3 395.572 3.540 20 0 GHADHO CC(C)C[NH+]1CCC(N2CCN[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001246803729 1037637934 /nfs/dbraw/zinc/63/79/34/1037637934.db2.gz CPFMGPUNUKZCMX-LJQANCHMSA-N 1 3 380.374 3.516 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246812650 1037645209 /nfs/dbraw/zinc/64/52/09/1037645209.db2.gz VPGYHHGSXPCFEF-NSXLHWASSA-N 1 3 381.564 3.553 20 0 GHADHO C[C@@H]1CC(N2CCC3(Cc4cc(Br)ccc4O3)CC2)C[C@@H](C)[NH2+]1 ZINC001246920010 1037725739 /nfs/dbraw/zinc/72/57/39/1037725739.db2.gz CKOIDOMZOOXVNL-ZIAGYGMSSA-N 1 3 379.342 3.748 20 0 GHADHO COC(=O)c1cccc(CN([C@H](C)Cc2cccc(OC)c2)C2CC[NH2+]CC2)c1 ZINC001246959757 1037778157 /nfs/dbraw/zinc/77/81/57/1037778157.db2.gz SJQGVSAHFKWJAO-GOSISDBHSA-N 1 3 396.531 3.667 20 0 GHADHO COC(=O)c1cccc(C[N@H+]([C@H](C)Cc2cccc(OC)c2)C2CCNCC2)c1 ZINC001246959757 1037778172 /nfs/dbraw/zinc/77/81/72/1037778172.db2.gz SJQGVSAHFKWJAO-GOSISDBHSA-N 1 3 396.531 3.667 20 0 GHADHO COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2cccc(OC)c2)C2CCNCC2)c1 ZINC001246959757 1037778190 /nfs/dbraw/zinc/77/81/90/1037778190.db2.gz SJQGVSAHFKWJAO-GOSISDBHSA-N 1 3 396.531 3.667 20 0 GHADHO CCCC1CCC(c2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cc2)CC1 ZINC001247852932 1038426620 /nfs/dbraw/zinc/42/66/20/1038426620.db2.gz YQQLCSWCYRKUFL-UHFFFAOYSA-N 1 3 380.536 3.871 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4ncoc4c3)C[C@@H]21 ZINC001232942488 1038722685 /nfs/dbraw/zinc/72/26/85/1038722685.db2.gz ZXJKHEKSMZHBQH-KAGYGMCKSA-N 1 3 376.504 3.955 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4ncoc4c3)C[C@@H]21 ZINC001232942488 1038722693 /nfs/dbraw/zinc/72/26/93/1038722693.db2.gz ZXJKHEKSMZHBQH-KAGYGMCKSA-N 1 3 376.504 3.955 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(-c4cccc(C)c4)cc3)CC[C@@H]2C1 ZINC001233222246 1038981969 /nfs/dbraw/zinc/98/19/69/1038981969.db2.gz LDSNVBKNASGNLJ-JWQCQUIFSA-N 1 3 394.559 3.831 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(-c4cccc(C)c4)cc3)CC[C@@H]2C1 ZINC001233222246 1038981972 /nfs/dbraw/zinc/98/19/72/1038981972.db2.gz LDSNVBKNASGNLJ-JWQCQUIFSA-N 1 3 394.559 3.831 20 0 GHADHO CCOc1ccc([C@H]2CCCN2C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252928724 1039266127 /nfs/dbraw/zinc/26/61/27/1039266127.db2.gz BEFZGRRXIPLZGL-DNQXCXABSA-N 1 3 380.532 3.859 20 0 GHADHO CCOc1ccc([C@H]2CCCN2C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252928724 1039266140 /nfs/dbraw/zinc/26/61/40/1039266140.db2.gz BEFZGRRXIPLZGL-DNQXCXABSA-N 1 3 380.532 3.859 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C[C@@H]1c1ccc(Br)cc1 ZINC001462440825 1070254750 /nfs/dbraw/zinc/25/47/50/1070254750.db2.gz RNEUUXTWRGIOOE-LSTHTHJFSA-N 1 3 394.401 3.906 20 0 GHADHO CN1CC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C[C@H]1c1ccc(Br)cc1 ZINC001462440823 1070255120 /nfs/dbraw/zinc/25/51/20/1070255120.db2.gz RNEUUXTWRGIOOE-AHRSYUTCSA-N 1 3 394.401 3.906 20 0 GHADHO CC[C@H](C)[C@H]([NH2+][C@H]1CCCN(C)CC1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001254510980 1040290538 /nfs/dbraw/zinc/29/05/38/1040290538.db2.gz SPLBUDDORFJQCF-YHEJKZAPSA-N 1 3 399.535 3.529 20 0 GHADHO FC1(F)CCNC[C@]12CC[N@H+](Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC001235088726 1040578205 /nfs/dbraw/zinc/57/82/05/1040578205.db2.gz OOUYZLGGYRUNNU-NRFANRHFSA-N 1 3 382.458 3.846 20 0 GHADHO FC1(F)CCNC[C@]12CC[N@@H+](Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC001235088726 1040578214 /nfs/dbraw/zinc/57/82/14/1040578214.db2.gz OOUYZLGGYRUNNU-NRFANRHFSA-N 1 3 382.458 3.846 20 0 GHADHO CCCN1C[C@@H]2C[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]2C1 ZINC001254879691 1040627616 /nfs/dbraw/zinc/62/76/16/1040627616.db2.gz PTFZWUQVBNTTBN-SSPASSIJSA-N 1 3 391.600 3.830 20 0 GHADHO c1ccc(COc2cc(CN3CCC4(CC[NH2+]CC4)CC3)cc3c2OCO3)cc1 ZINC001235133597 1040628030 /nfs/dbraw/zinc/62/80/30/1040628030.db2.gz PVBSXXGMGXWTBZ-UHFFFAOYSA-N 1 3 394.515 3.960 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895438 1040649639 /nfs/dbraw/zinc/64/96/39/1040649639.db2.gz VCVUQVKCWLQTDB-WJMWBRGCSA-N 1 3 387.568 3.729 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895438 1040649653 /nfs/dbraw/zinc/64/96/53/1040649653.db2.gz VCVUQVKCWLQTDB-WJMWBRGCSA-N 1 3 387.568 3.729 20 0 GHADHO COc1cc(CN2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)cc1O ZINC001235163055 1040655166 /nfs/dbraw/zinc/65/51/66/1040655166.db2.gz ZJZFDZYZUSEZRW-INIZCTEOSA-N 1 3 383.330 3.517 20 0 GHADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccc(F)cc1 ZINC001255126776 1040821129 /nfs/dbraw/zinc/82/11/29/1040821129.db2.gz PDACFGAVUOMJFC-DKUWSORSSA-N 1 3 381.495 3.940 20 0 GHADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccc(F)cc1 ZINC001255126776 1040821143 /nfs/dbraw/zinc/82/11/43/1040821143.db2.gz PDACFGAVUOMJFC-DKUWSORSSA-N 1 3 381.495 3.940 20 0 GHADHO C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137802 1040842999 /nfs/dbraw/zinc/84/29/99/1040842999.db2.gz XWRHNGXVXYQXLD-PKOFMYQESA-N 1 3 382.470 3.817 20 0 GHADHO C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137802 1040843011 /nfs/dbraw/zinc/84/30/11/1040843011.db2.gz XWRHNGXVXYQXLD-PKOFMYQESA-N 1 3 382.470 3.817 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137904 1040843843 /nfs/dbraw/zinc/84/38/43/1040843843.db2.gz ZAUKMBUDYANUPX-QEIWAGNOSA-N 1 3 390.575 3.785 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137904 1040843848 /nfs/dbraw/zinc/84/38/48/1040843848.db2.gz ZAUKMBUDYANUPX-QEIWAGNOSA-N 1 3 390.575 3.785 20 0 GHADHO Cc1cnc(OC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)nc1 ZINC001255149110 1040864530 /nfs/dbraw/zinc/86/45/30/1040864530.db2.gz FILDKURHFGJXKG-KOUNCHBCSA-N 1 3 392.547 3.824 20 0 GHADHO COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Cc2ccccc21 ZINC001255151780 1040876194 /nfs/dbraw/zinc/87/61/94/1040876194.db2.gz YGQVVNLSQVPNQQ-HOUBMWHVSA-N 1 3 390.527 3.954 20 0 GHADHO COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Cc2ccccc21 ZINC001255151780 1040876200 /nfs/dbraw/zinc/87/62/00/1040876200.db2.gz YGQVVNLSQVPNQQ-HOUBMWHVSA-N 1 3 390.527 3.954 20 0 GHADHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377613 1040893920 /nfs/dbraw/zinc/89/39/20/1040893920.db2.gz WWYCUMDCJZNCDU-VWLOTQADSA-N 1 3 394.559 3.773 20 0 GHADHO Cc1cc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377613 1040893926 /nfs/dbraw/zinc/89/39/26/1040893926.db2.gz WWYCUMDCJZNCDU-VWLOTQADSA-N 1 3 394.559 3.773 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C1)C2 ZINC001255212489 1040908593 /nfs/dbraw/zinc/90/85/93/1040908593.db2.gz KOSHQHUNTVTLNW-JFDBCFPISA-N 1 3 397.563 3.592 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C1)C2 ZINC001255212489 1040908598 /nfs/dbraw/zinc/90/85/98/1040908598.db2.gz KOSHQHUNTVTLNW-JFDBCFPISA-N 1 3 397.563 3.592 20 0 GHADHO c1ccc(CN2CCC[C@@H]([NH2+]Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC001255383978 1040973512 /nfs/dbraw/zinc/97/35/12/1040973512.db2.gz QTAZGPLMERYBLR-HSZRJFAPSA-N 1 3 379.548 3.668 20 0 GHADHO O=C(C1=CC2(CCN(CC[C@@H]3CCCC[NH2+]3)CC2)c2ccccc21)N1CCCC1 ZINC001235605896 1041022259 /nfs/dbraw/zinc/02/22/59/1041022259.db2.gz BTQHIHORTUUIQI-FQEVSTJZSA-N 1 3 393.575 3.572 20 0 GHADHO FC(F)(F)c1ccc(C[NH2+]C2CCN(C3CCC4(CC3)OCCO4)CC2)cc1 ZINC001255630786 1041180779 /nfs/dbraw/zinc/18/07/79/1041180779.db2.gz QLZQDTJLQZHQNT-UHFFFAOYSA-N 1 3 398.469 3.945 20 0 GHADHO Cc1nc([C@H]2C[C@@H]3CCN(C4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C[C@H]3O2)sc1C ZINC001255677990 1041210301 /nfs/dbraw/zinc/21/03/01/1041210301.db2.gz SUXWSSOIARIJPF-SDHGOZRASA-N 1 3 375.582 3.927 20 0 GHADHO Cc1nc([C@H]2C[C@@H]3CCN(C4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@H]3O2)sc1C ZINC001255677990 1041210317 /nfs/dbraw/zinc/21/03/17/1041210317.db2.gz SUXWSSOIARIJPF-SDHGOZRASA-N 1 3 375.582 3.927 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](N2Cc3cc(F)ccc3C2=O)CC1 ZINC001255951783 1041432853 /nfs/dbraw/zinc/43/28/53/1041432853.db2.gz AVXWERPEZOWRQT-NSISKUIASA-N 1 3 375.532 3.803 20 0 GHADHO [NH3+]CC1CN([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(F)(F)F)o3)C2)C1 ZINC001236077812 1041524270 /nfs/dbraw/zinc/52/42/70/1041524270.db2.gz DBAXWJWNAFUTHV-MRXNPFEDSA-N 1 3 393.453 3.820 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001256288635 1041685489 /nfs/dbraw/zinc/68/54/89/1041685489.db2.gz MKBACDHMOSDHID-GOSISDBHSA-N 1 3 377.573 3.796 20 0 GHADHO CC(C)(C)C[N@H+](Cc1c[nH]c2nccc(Br)c12)C1CCNCC1 ZINC001236457642 1041721365 /nfs/dbraw/zinc/72/13/65/1041721365.db2.gz PDNVINKMSXTRSN-UHFFFAOYSA-N 1 3 379.346 3.926 20 0 GHADHO CC(C)(C)C[N@@H+](Cc1c[nH]c2nccc(Br)c12)C1CCNCC1 ZINC001236457642 1041721366 /nfs/dbraw/zinc/72/13/66/1041721366.db2.gz PDNVINKMSXTRSN-UHFFFAOYSA-N 1 3 379.346 3.926 20 0 GHADHO [NH3+][C@H]1CC[C@H](N(Cc2ccsc2I)CC2CC2)CC1 ZINC001236553946 1041760332 /nfs/dbraw/zinc/76/03/32/1041760332.db2.gz VIKLACQIJWZHTL-HDJSIYSDSA-N 1 3 390.334 3.835 20 0 GHADHO COC(OC)c1c(C[NH3+])ccnc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001236471392 1041730279 /nfs/dbraw/zinc/73/02/79/1041730279.db2.gz CHKMEWWRLLEWAG-UXHICEINSA-N 1 3 379.504 3.652 20 0 GHADHO [NH3+][C@H]1CC[C@H](N(Cc2c3c(ccc2Br)OCO3)CC2CC2)CC1 ZINC001236554220 1041760784 /nfs/dbraw/zinc/76/07/84/1041760784.db2.gz XGDGMWDUXGRAHQ-HDJSIYSDSA-N 1 3 381.314 3.660 20 0 GHADHO Nc1ccc(OC(F)(F)F)cc1CN(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236561738 1041763550 /nfs/dbraw/zinc/76/35/50/1041763550.db2.gz LFNLFLPLULAFFT-QAQDUYKDSA-N 1 3 394.441 3.835 20 0 GHADHO Nc1ccc(OC(F)(F)F)cc1CN(Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236673071 1041820439 /nfs/dbraw/zinc/82/04/39/1041820439.db2.gz ZXVQASIXTWGBRN-JCNLHEQBSA-N 1 3 394.441 3.835 20 0 GHADHO COC(=O)c1ccc(COc2ccccc2CN2CCC3(CC[C@@H]3[NH3+])CC2)cc1 ZINC001237357969 1042167601 /nfs/dbraw/zinc/16/76/01/1042167601.db2.gz BCEXXWXLYRGWFL-QFIPXVFZSA-N 1 3 394.515 3.756 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(CCc1ccc(Cl)cc1Cl)C2 ZINC001278215813 1042551038 /nfs/dbraw/zinc/55/10/38/1042551038.db2.gz HJQKCPYYBCULHO-FQEVSTJZSA-N 1 3 384.395 3.885 20 0 GHADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(CCc1ccc(Cl)cc1Cl)C2 ZINC001278215813 1042551043 /nfs/dbraw/zinc/55/10/43/1042551043.db2.gz HJQKCPYYBCULHO-FQEVSTJZSA-N 1 3 384.395 3.885 20 0 GHADHO CN1CC[NH+](C2CCN(Cc3cccc(-c4ccc(Cl)cn4)c3)CC2)CC1 ZINC001238640304 1042666117 /nfs/dbraw/zinc/66/61/17/1042666117.db2.gz KRUYQTJOKWGUMQ-UHFFFAOYSA-N 1 3 384.955 3.614 20 0 GHADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CCN1Cc1ccccc1 ZINC001256534626 1043470394 /nfs/dbraw/zinc/47/03/94/1043470394.db2.gz SWASBYKXYSDYTL-PZJWPPBQSA-N 1 3 395.547 3.782 20 0 GHADHO C[C@H]1C[C@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256539670 1043486387 /nfs/dbraw/zinc/48/63/87/1043486387.db2.gz DIQUNKQJDSFUEG-XUZZJYLKSA-N 1 3 390.575 3.642 20 0 GHADHO C[C@H]1C[C@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256539670 1043486398 /nfs/dbraw/zinc/48/63/98/1043486398.db2.gz DIQUNKQJDSFUEG-XUZZJYLKSA-N 1 3 390.575 3.642 20 0 GHADHO C[C@@H]1C[C@@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 ZINC001256543206 1043496544 /nfs/dbraw/zinc/49/65/44/1043496544.db2.gz RZXSAYATGGWPKL-CTNGQTDRSA-N 1 3 399.579 3.982 20 0 GHADHO C[C@@H]1C[C@H](N2CCN(CCc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548589 1043509910 /nfs/dbraw/zinc/50/99/10/1043509910.db2.gz BLQRVDMVFFQCCQ-RCZVLFRGSA-N 1 3 377.576 3.900 20 0 GHADHO C[C@@H]1C[C@H](N2CCN(CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548589 1043509921 /nfs/dbraw/zinc/50/99/21/1043509921.db2.gz BLQRVDMVFFQCCQ-RCZVLFRGSA-N 1 3 377.576 3.900 20 0 GHADHO COCC[N@H+](C1CCN(C(C)(C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256576363 1043549662 /nfs/dbraw/zinc/54/96/62/1043549662.db2.gz HGASOGLQOXRNEA-LJQANCHMSA-N 1 3 397.604 3.597 20 0 GHADHO COCC[N@@H+](C1CCN(C(C)(C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256576363 1043549672 /nfs/dbraw/zinc/54/96/72/1043549672.db2.gz HGASOGLQOXRNEA-LJQANCHMSA-N 1 3 397.604 3.597 20 0 GHADHO O[C@H](c1ccccc1)[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256678757 1043616991 /nfs/dbraw/zinc/61/69/91/1043616991.db2.gz ZWEJORSARMYKFR-STTLMXHVSA-N 1 3 380.532 3.694 20 0 GHADHO N[C@H](c1ccccc1)[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256678686 1043617013 /nfs/dbraw/zinc/61/70/13/1043617013.db2.gz YXMKIZGMAIHKRC-SNDHGLFQSA-N 1 3 379.548 3.661 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808120 1043664214 /nfs/dbraw/zinc/66/42/14/1043664214.db2.gz DSMDISNRPOJEQJ-UEQSERJNSA-N 1 3 384.564 3.587 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808120 1043664223 /nfs/dbraw/zinc/66/42/23/1043664223.db2.gz DSMDISNRPOJEQJ-UEQSERJNSA-N 1 3 384.564 3.587 20 0 GHADHO c1ccc([C@@H]2C[C@H]([N@H+]3C[C@@H]4CN(CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815424 1043671484 /nfs/dbraw/zinc/67/14/84/1043671484.db2.gz SEFOVSOTOIDWIK-UARRHKHWSA-N 1 3 384.564 3.730 20 0 GHADHO c1ccc([C@@H]2C[C@H]([N@@H+]3C[C@@H]4CN(CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815424 1043671493 /nfs/dbraw/zinc/67/14/93/1043671493.db2.gz SEFOVSOTOIDWIK-UARRHKHWSA-N 1 3 384.564 3.730 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001257039620 1043815541 /nfs/dbraw/zinc/81/55/41/1043815541.db2.gz LKTVTVXFIBPXDY-IEBWSBKVSA-N 1 3 378.944 3.873 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC001257150688 1043899784 /nfs/dbraw/zinc/89/97/84/1043899784.db2.gz DTBWIAOLBLPNLE-IBGZPJMESA-N 1 3 395.547 3.691 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C3)C[C@H]2C1 ZINC001257206434 1043936890 /nfs/dbraw/zinc/93/68/90/1043936890.db2.gz TWYQAYAKLRZSCB-UAFMIMERSA-N 1 3 379.589 3.684 20 0 GHADHO CCOC(=O)CC1(N)CC[NH+]([C@H](C)CCc2ccc3cc(OC)ccc3c2)CC1 ZINC001257280017 1043954191 /nfs/dbraw/zinc/95/41/91/1043954191.db2.gz ZKJHFBQCFBGXPL-GOSISDBHSA-N 1 3 398.547 3.916 20 0 GHADHO CCOC(=O)CC1([NH3+])CCN([C@H](C)CCc2ccc3cc(OC)ccc3c2)CC1 ZINC001257280017 1043954198 /nfs/dbraw/zinc/95/41/98/1043954198.db2.gz ZKJHFBQCFBGXPL-GOSISDBHSA-N 1 3 398.547 3.916 20 0 GHADHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C2CCCCC2)C3)c1 ZINC001257458423 1044004704 /nfs/dbraw/zinc/00/47/04/1044004704.db2.gz XXVYYLWZJCOHMU-LADGPHEKSA-N 1 3 383.580 3.965 20 0 GHADHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C2CCCCC2)C3)c1 ZINC001257458423 1044004716 /nfs/dbraw/zinc/00/47/16/1044004716.db2.gz XXVYYLWZJCOHMU-LADGPHEKSA-N 1 3 383.580 3.965 20 0 GHADHO CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](C1CCN(CC(C)C)CC1)CC2 ZINC001258014154 1044342651 /nfs/dbraw/zinc/34/26/51/1044342651.db2.gz DRCVCBUCSDQLNZ-HSZRJFAPSA-N 1 3 397.607 3.977 20 0 GHADHO CC(C)N(CCNC1CC[NH+](CCc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001258139814 1044425952 /nfs/dbraw/zinc/42/59/52/1044425952.db2.gz NIRMJAAMZIGSCF-UHFFFAOYSA-N 1 3 389.584 3.929 20 0 GHADHO Cc1c[nH+]ccc1N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001258564905 1044644072 /nfs/dbraw/zinc/64/40/72/1044644072.db2.gz QQOPRDHURDWRSU-SFHVURJKSA-N 1 3 388.556 3.690 20 0 GHADHO CCC[NH+]1CCC(N2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001258773994 1044759928 /nfs/dbraw/zinc/75/99/28/1044759928.db2.gz SNONKCLJPSZODZ-OAQYLSRUSA-N 1 3 375.582 3.551 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000381796697 1047000543 /nfs/dbraw/zinc/00/05/43/1047000543.db2.gz PLYDQLBPCZGCIX-CIAFKFPVSA-N 1 3 399.579 3.886 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000381796698 1047000856 /nfs/dbraw/zinc/00/08/56/1047000856.db2.gz PLYDQLBPCZGCIX-CLAROIROSA-N 1 3 399.579 3.886 20 0 GHADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)C[C@@H]3CCCCN3Cc3ccccc3)C[N@@H+]2C1 ZINC001303171510 1047302485 /nfs/dbraw/zinc/30/24/85/1047302485.db2.gz VTUKUBGEKNNRON-PNJWGLBASA-N 1 3 383.580 3.620 20 0 GHADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)C[C@@H]3CCCCN3Cc3ccccc3)C[N@H+]2C1 ZINC001303171510 1047302498 /nfs/dbraw/zinc/30/24/98/1047302498.db2.gz VTUKUBGEKNNRON-PNJWGLBASA-N 1 3 383.580 3.620 20 0 GHADHO COc1cccc(CCCN2CCC[N@H+](Cc3ccccc3)CCOCC2)c1 ZINC001308106420 1049851817 /nfs/dbraw/zinc/85/18/17/1049851817.db2.gz BQSPQRPQRRKYPJ-UHFFFAOYSA-N 1 3 382.548 3.852 20 0 GHADHO COc1cccc(CCCN2CCC[N@@H+](Cc3ccccc3)CCOCC2)c1 ZINC001308106420 1049851832 /nfs/dbraw/zinc/85/18/32/1049851832.db2.gz BQSPQRPQRRKYPJ-UHFFFAOYSA-N 1 3 382.548 3.852 20 0 GHADHO c1csc(-c2nc(CNCCCN3CCN(c4cc[nH+]cc4)CC3)cs2)c1 ZINC001308232727 1049921124 /nfs/dbraw/zinc/92/11/24/1049921124.db2.gz KPSJSGWKIZMUBB-UHFFFAOYSA-N 1 3 399.589 3.569 20 0 GHADHO CN1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)C1 ZINC001308465847 1049982787 /nfs/dbraw/zinc/98/27/87/1049982787.db2.gz SMMHNKWUDOKSRT-CQSZACIVSA-N 1 3 377.330 3.661 20 0 GHADHO CC(C)(C)[C@]1(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001308693409 1050061386 /nfs/dbraw/zinc/06/13/86/1050061386.db2.gz TWXBHTBSYURXBA-FBHSLPMESA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001308693409 1050061390 /nfs/dbraw/zinc/06/13/90/1050061390.db2.gz TWXBHTBSYURXBA-FBHSLPMESA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CCN(Cc2ccccc2)C1 ZINC001308693409 1050061395 /nfs/dbraw/zinc/06/13/95/1050061395.db2.gz TWXBHTBSYURXBA-FBHSLPMESA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CCN(Cc2ccccc2)C1 ZINC001308693409 1050061401 /nfs/dbraw/zinc/06/14/01/1050061401.db2.gz TWXBHTBSYURXBA-FBHSLPMESA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)CCN1CCC([NH2+][C@@H]2COc3cccc(Br)c3C2)CC1 ZINC001308913488 1050162640 /nfs/dbraw/zinc/16/26/40/1050162640.db2.gz QKGUYLFWWCKOCD-INIZCTEOSA-N 1 3 381.358 3.853 20 0 GHADHO CCC1([NH+]2CCCCC2)CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001330934546 1051150761 /nfs/dbraw/zinc/15/07/61/1051150761.db2.gz KCZZVBWBLHJGDX-SFHVURJKSA-N 1 3 392.975 3.690 20 0 GHADHO C[NH+](C)CCc1ccccc1NC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001310577772 1051460735 /nfs/dbraw/zinc/46/07/35/1051460735.db2.gz FZNAXOFHHJTDQT-UHFFFAOYSA-N 1 3 389.503 3.673 20 0 GHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2N2CCN(C)CC2)cc1 ZINC001333465187 1051745917 /nfs/dbraw/zinc/74/59/17/1051745917.db2.gz IQFOKPZNYBTDTC-IBGZPJMESA-N 1 3 389.547 3.783 20 0 GHADHO CC(C)(C)OC(=O)Nc1ccc(CNC2CCC([NH+]3CCCCC3)CC2)nn1 ZINC001333739404 1051826045 /nfs/dbraw/zinc/82/60/45/1051826045.db2.gz HYDRRQPFAXACRX-UHFFFAOYSA-N 1 3 389.544 3.710 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001311384504 1052077591 /nfs/dbraw/zinc/07/75/91/1052077591.db2.gz NHCOKVCFKJLKPV-PXNSSMCTSA-N 1 3 394.579 3.874 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001311384504 1052077605 /nfs/dbraw/zinc/07/76/05/1052077605.db2.gz NHCOKVCFKJLKPV-PXNSSMCTSA-N 1 3 394.579 3.874 20 0 GHADHO O=C(CC[NH2+]CC1CCN(Cc2ccncc2)CC1)Nc1cccc(Cl)c1 ZINC001336752499 1052323527 /nfs/dbraw/zinc/32/35/27/1052323527.db2.gz XRAUGGCHNIOXFB-UHFFFAOYSA-N 1 3 386.927 3.565 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCC2(C[NH+](C)C)CCCC2)N2CCCC2)cc1 ZINC001311767251 1052385202 /nfs/dbraw/zinc/38/52/02/1052385202.db2.gz SNVDTWCWCZEGQB-OAQYLSRUSA-N 1 3 386.584 3.553 20 0 GHADHO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC001312557499 1052790079 /nfs/dbraw/zinc/79/00/79/1052790079.db2.gz LFEPESKRNOUADG-FGZHOGPDSA-N 1 3 388.600 3.516 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(C)([NH+]4CCCCC4)CC3)C2)cc1 ZINC001313187808 1052981155 /nfs/dbraw/zinc/98/11/55/1052981155.db2.gz YWPFCOJRIGXPNC-JOCHJYFZSA-N 1 3 398.595 3.619 20 0 GHADHO CC(C)N(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000848237461 1056928924 /nfs/dbraw/zinc/92/89/24/1056928924.db2.gz CUGRUDSSXIPIJN-DEOSSOPVSA-N 1 3 393.575 3.916 20 0 GHADHO COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1C ZINC001323786218 1057013115 /nfs/dbraw/zinc/01/31/15/1057013115.db2.gz SYUMIBZHDUHXGZ-FQEVSTJZSA-N 1 3 381.564 3.910 20 0 GHADHO C[C@H]1CC2(CN1Cc1ccc(OC(F)F)cc1OC(F)F)CC[NH2+]CC2 ZINC001325814006 1057368809 /nfs/dbraw/zinc/36/88/09/1057368809.db2.gz NXXBOCMFQAWFDV-LBPRGKRZSA-N 1 3 376.394 3.853 20 0 GHADHO [NH2+]=C(NCCCCOCc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849072633 1057581298 /nfs/dbraw/zinc/58/12/98/1057581298.db2.gz RGUFLWLVWPSCKV-UHFFFAOYSA-N 1 3 394.563 3.762 20 0 GHADHO C[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)Sc1ccccc1 ZINC000849093001 1057591023 /nfs/dbraw/zinc/59/10/23/1057591023.db2.gz NVENKHKULKCVQM-GOSISDBHSA-N 1 3 382.577 3.946 20 0 GHADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586836 1058540204 /nfs/dbraw/zinc/54/02/04/1058540204.db2.gz JWIKOFOLGHIKRX-GOTSBHOMSA-N 1 3 391.559 3.708 20 0 GHADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586836 1058540222 /nfs/dbraw/zinc/54/02/22/1058540222.db2.gz JWIKOFOLGHIKRX-GOTSBHOMSA-N 1 3 391.559 3.708 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC001443577717 1059152743 /nfs/dbraw/zinc/15/27/43/1059152743.db2.gz GVCOWZAKMYJZNC-FQEVSTJZSA-N 1 3 377.960 3.541 20 0 GHADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC001443577717 1059152748 /nfs/dbraw/zinc/15/27/48/1059152748.db2.gz GVCOWZAKMYJZNC-FQEVSTJZSA-N 1 3 377.960 3.541 20 0 GHADHO CCCN(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC001449261985 1060364722 /nfs/dbraw/zinc/36/47/22/1060364722.db2.gz DLOUNASFFTXEQY-MISYRCLQSA-N 1 3 379.976 3.960 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006304 1061974562 /nfs/dbraw/zinc/97/45/62/1061974562.db2.gz BPPKELJVWWKZRS-BJKOFHAPSA-N 1 3 391.559 3.598 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006304 1061974569 /nfs/dbraw/zinc/97/45/69/1061974569.db2.gz BPPKELJVWWKZRS-BJKOFHAPSA-N 1 3 391.559 3.598 20 0 GHADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001435064517 1062262623 /nfs/dbraw/zinc/26/26/23/1062262623.db2.gz LGJPSTRSRKSYMZ-JOCHJYFZSA-N 1 3 377.548 3.570 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)c3cccc([C@H]4CCC[N@@H+](C)C4)c3)C2)cc1 ZINC001457982359 1063482448 /nfs/dbraw/zinc/48/24/48/1063482448.db2.gz SNCLOLFNVNTMIF-ZEQRLZLVSA-N 1 3 391.559 3.809 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)C2)cc1 ZINC001457982359 1063482459 /nfs/dbraw/zinc/48/24/59/1063482459.db2.gz SNCLOLFNVNTMIF-ZEQRLZLVSA-N 1 3 391.559 3.809 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)N(C)C)cc1 ZINC001468350726 1067697956 /nfs/dbraw/zinc/69/79/56/1067697956.db2.gz KWUWEAWMSATNEG-NYVOZVTQSA-N 1 3 382.552 3.588 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001360031879 1068322478 /nfs/dbraw/zinc/32/24/78/1068322478.db2.gz GSUYIHDCRGLUPD-OAQYLSRUSA-N 1 3 399.966 3.752 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001360031879 1068322493 /nfs/dbraw/zinc/32/24/93/1068322493.db2.gz GSUYIHDCRGLUPD-OAQYLSRUSA-N 1 3 399.966 3.752 20 0 GHADHO CCCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001470046519 1068541408 /nfs/dbraw/zinc/54/14/08/1068541408.db2.gz MIJBMIMYKXPFGW-IRLDBZIGSA-N 1 3 388.600 3.803 20 0 GHADHO CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CC[C@@H]1CCCN1C)CC2 ZINC001460928990 1069280488 /nfs/dbraw/zinc/28/04/88/1069280488.db2.gz BEKRTDMGUVHQQG-OALUTQOASA-N 1 3 379.589 3.828 20 0 GHADHO CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001460928990 1069280498 /nfs/dbraw/zinc/28/04/98/1069280498.db2.gz BEKRTDMGUVHQQG-OALUTQOASA-N 1 3 379.589 3.828 20 0 GHADHO CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001460928990 1069280511 /nfs/dbraw/zinc/28/05/11/1069280511.db2.gz BEKRTDMGUVHQQG-OALUTQOASA-N 1 3 379.589 3.828 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC001478590337 1078927504 /nfs/dbraw/zinc/92/75/04/1078927504.db2.gz OAHYXBFVGIBQSL-OAQYLSRUSA-N 1 3 386.584 3.591 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)C2)cc1 ZINC001471314407 1073013582 /nfs/dbraw/zinc/01/35/82/1073013582.db2.gz JWEYFAKESWCBMH-DNQXCXABSA-N 1 3 391.559 3.565 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1)c1ccccc1 ZINC001473111492 1073785865 /nfs/dbraw/zinc/78/58/65/1073785865.db2.gz HHODWNTYLKIZCG-DHIUTWEWSA-N 1 3 379.548 3.503 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1CCc1ccccc1)c1ccccc1 ZINC001473111492 1073785873 /nfs/dbraw/zinc/78/58/73/1073785873.db2.gz HHODWNTYLKIZCG-DHIUTWEWSA-N 1 3 379.548 3.503 20 0 GHADHO C[NH+](C)[C@@H](CNC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C)c1ccccc1 ZINC001473311123 1073915988 /nfs/dbraw/zinc/91/59/88/1073915988.db2.gz XCXHWKJMFAJDSX-RBBKRZOGSA-N 1 3 385.527 3.922 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)[C@H]1C ZINC001473390170 1073946239 /nfs/dbraw/zinc/94/62/39/1073946239.db2.gz XVRMSWVYAJECOD-AJSBUHFISA-N 1 3 380.532 3.786 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)[C@H]1C ZINC001473390170 1073946243 /nfs/dbraw/zinc/94/62/43/1073946243.db2.gz XVRMSWVYAJECOD-AJSBUHFISA-N 1 3 380.532 3.786 20 0 GHADHO CN1CCC[C@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001473440866 1073963975 /nfs/dbraw/zinc/96/39/75/1073963975.db2.gz ZIEXOQWXYPPUMQ-FQEVSTJZSA-N 1 3 375.557 3.888 20 0 GHADHO CN1CCC[C@H]1CC[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001473440866 1073963980 /nfs/dbraw/zinc/96/39/80/1073963980.db2.gz ZIEXOQWXYPPUMQ-FQEVSTJZSA-N 1 3 375.557 3.888 20 0 GHADHO COC(=O)c1sccc1CN[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001474745550 1074543001 /nfs/dbraw/zinc/54/30/01/1074543001.db2.gz RVTQYJJESPPSBW-AABGKKOBSA-N 1 3 384.545 3.925 20 0 GHADHO COC(=O)c1sccc1CN[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001474745550 1074543012 /nfs/dbraw/zinc/54/30/12/1074543012.db2.gz RVTQYJJESPPSBW-AABGKKOBSA-N 1 3 384.545 3.925 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585792 607808552 /nfs/dbraw/zinc/80/85/52/607808552.db2.gz UDFWTKKLXJVOCQ-BJLQDIEVSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585792 607808553 /nfs/dbraw/zinc/80/85/53/607808553.db2.gz UDFWTKKLXJVOCQ-BJLQDIEVSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585792 607808554 /nfs/dbraw/zinc/80/85/54/607808554.db2.gz UDFWTKKLXJVOCQ-BJLQDIEVSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585792 607808555 /nfs/dbraw/zinc/80/85/55/607808555.db2.gz UDFWTKKLXJVOCQ-BJLQDIEVSA-N 1 3 390.535 3.818 20 0 GHADHO CCC1(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000825170590 607820196 /nfs/dbraw/zinc/82/01/96/607820196.db2.gz CYPQSLKXHKHLOE-UHFFFAOYSA-N 1 3 390.535 3.649 20 0 GHADHO CCC1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000825170590 607820197 /nfs/dbraw/zinc/82/01/97/607820197.db2.gz CYPQSLKXHKHLOE-UHFFFAOYSA-N 1 3 390.535 3.649 20 0 GHADHO C[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414092227 837483758 /nfs/dbraw/zinc/48/37/58/837483758.db2.gz FEVYQQNCNLCEJJ-LJQANCHMSA-N 1 3 382.552 3.551 20 0 GHADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000163553132 837515678 /nfs/dbraw/zinc/51/56/78/837515678.db2.gz QKOBPUGQCGWSME-QGZVFWFLSA-N 1 3 389.565 3.751 20 0 GHADHO CCCOc1ccc([C@@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000655691400 837671951 /nfs/dbraw/zinc/67/19/51/837671951.db2.gz AEWACGIOIIOCFJ-YLJYHZDGSA-N 1 3 376.541 3.778 20 0 GHADHO Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCCN3CCCC3)cc1)CC2 ZINC000655729237 837762448 /nfs/dbraw/zinc/76/24/48/837762448.db2.gz FCGIVBCVSMLVSX-QHCPKHFHSA-N 1 3 391.559 3.906 20 0 GHADHO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654836382 834646885 /nfs/dbraw/zinc/64/68/85/834646885.db2.gz KNTAIIINUCGZFW-HSZRJFAPSA-N 1 3 399.623 3.971 20 0 GHADHO CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772477 834678149 /nfs/dbraw/zinc/67/81/49/834678149.db2.gz NMIKXUHZMBRYCO-FQEVSTJZSA-N 1 3 380.580 3.937 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(CN2CCCC2)c1 ZINC000139941806 834768786 /nfs/dbraw/zinc/76/87/86/834768786.db2.gz CWWBQWLTAAOPTD-FQEVSTJZSA-N 1 3 397.588 3.986 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(CN2CCCC2)c1 ZINC000139941806 834768792 /nfs/dbraw/zinc/76/87/92/834768792.db2.gz CWWBQWLTAAOPTD-FQEVSTJZSA-N 1 3 397.588 3.986 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC3CC3)C3CCCCC3)CC2)CC1 ZINC000583639450 834797787 /nfs/dbraw/zinc/79/77/87/834797787.db2.gz HUQCKXOMZZLTFR-UHFFFAOYSA-N 1 3 375.601 3.754 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000433329565 844020672 /nfs/dbraw/zinc/02/06/72/844020672.db2.gz GXWSVVVXLYWSCG-UHFFFAOYSA-N 1 3 393.535 3.670 20 0 GHADHO COc1cc2ccc([C@H](C)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2cc1OC ZINC000657924922 835250596 /nfs/dbraw/zinc/25/05/96/835250596.db2.gz JNOBWELFNNEKNI-WQTXXOFMSA-N 1 3 398.547 3.885 20 0 GHADHO C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274793088 835308721 /nfs/dbraw/zinc/30/87/21/835308721.db2.gz MUZKWNIQXYNLCU-AVRDEDQJSA-N 1 3 377.532 3.596 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137761 835462369 /nfs/dbraw/zinc/46/23/69/835462369.db2.gz IHSVWNJOMMNRBT-DNVCBOLYSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137761 835462377 /nfs/dbraw/zinc/46/23/77/835462377.db2.gz IHSVWNJOMMNRBT-DNVCBOLYSA-N 1 3 376.447 3.705 20 0 GHADHO Cc1cc2c(cc1C)[C@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658140724 835467314 /nfs/dbraw/zinc/46/73/14/835467314.db2.gz QUYWMRLIFINCLD-FYYLOGMGSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc2c(cc1C)[C@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658140724 835467320 /nfs/dbraw/zinc/46/73/20/835467320.db2.gz QUYWMRLIFINCLD-FYYLOGMGSA-N 1 3 380.532 3.874 20 0 GHADHO CCOCc1cc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000179653972 835711158 /nfs/dbraw/zinc/71/11/58/835711158.db2.gz FBZDXLHEEBBQDD-KDURUIRLSA-N 1 3 390.568 3.553 20 0 GHADHO CCOCc1cc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000179653972 835711166 /nfs/dbraw/zinc/71/11/66/835711166.db2.gz FBZDXLHEEBBQDD-KDURUIRLSA-N 1 3 390.568 3.553 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177106653 835879629 /nfs/dbraw/zinc/87/96/29/835879629.db2.gz ODZPDWXRONFHQM-UHFFFAOYSA-N 1 3 375.520 3.611 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177106653 835879636 /nfs/dbraw/zinc/87/96/36/835879636.db2.gz ODZPDWXRONFHQM-UHFFFAOYSA-N 1 3 375.520 3.611 20 0 GHADHO C[NH+](C)C1(CNCCC(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000584362811 835922117 /nfs/dbraw/zinc/92/21/17/835922117.db2.gz HHQNMTGPSZZFQG-UHFFFAOYSA-N 1 3 382.346 3.632 20 0 GHADHO COC(=O)c1ccccc1OCCN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931819 836238464 /nfs/dbraw/zinc/23/84/64/836238464.db2.gz CRHBUMCEJUNDHV-JOCHJYFZSA-N 1 3 396.531 3.742 20 0 GHADHO COC(=O)c1ccccc1OCCN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931819 836238474 /nfs/dbraw/zinc/23/84/74/836238474.db2.gz CRHBUMCEJUNDHV-JOCHJYFZSA-N 1 3 396.531 3.742 20 0 GHADHO CC(C)[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc2ccccc2o1 ZINC000414180500 836427108 /nfs/dbraw/zinc/42/71/08/836427108.db2.gz BIOORFHWVVWLMK-JOCHJYFZSA-N 1 3 385.552 3.516 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000500863848 844184699 /nfs/dbraw/zinc/18/46/99/844184699.db2.gz HDXJYCLONBPQNW-RBUKOAKNSA-N 1 3 380.602 3.695 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000500863848 844184708 /nfs/dbraw/zinc/18/47/08/844184708.db2.gz HDXJYCLONBPQNW-RBUKOAKNSA-N 1 3 380.602 3.695 20 0 GHADHO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548490944 844236703 /nfs/dbraw/zinc/23/67/03/844236703.db2.gz XIVZPDHZLYEVEJ-TUSQITKMSA-N 1 3 393.575 3.560 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN[C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000533740541 838257307 /nfs/dbraw/zinc/25/73/07/838257307.db2.gz NBUIDNWQQSUYTP-GDJIYFAZSA-N 1 3 399.604 3.807 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000415942505 838296369 /nfs/dbraw/zinc/29/63/69/838296369.db2.gz JDXSKPCQUVSZON-JOCHJYFZSA-N 1 3 396.535 3.763 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000415962216 838320436 /nfs/dbraw/zinc/32/04/36/838320436.db2.gz WVENNBQEOBBENX-LJQANCHMSA-N 1 3 380.536 3.924 20 0 GHADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415970622 838339881 /nfs/dbraw/zinc/33/98/81/838339881.db2.gz FIWUUBBADJXTSY-NRFANRHFSA-N 1 3 380.536 3.740 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)Nc3ccc(C[NH2+]C)cc3)c(C)c2)CC1 ZINC000415977410 838342703 /nfs/dbraw/zinc/34/27/03/838342703.db2.gz XZQMHFMAJFVSFT-UHFFFAOYSA-N 1 3 381.524 3.500 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380228 838344475 /nfs/dbraw/zinc/34/44/75/838344475.db2.gz BGDCJBCIFDXVIW-JTHBVZDNSA-N 1 3 389.543 3.640 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659380228 838344483 /nfs/dbraw/zinc/34/44/83/838344483.db2.gz BGDCJBCIFDXVIW-JTHBVZDNSA-N 1 3 389.543 3.640 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)N2CCCC2)cc1 ZINC000659444460 838396615 /nfs/dbraw/zinc/39/66/15/838396615.db2.gz AUJSSXCQYKMGNI-DHIUTWEWSA-N 1 3 398.595 3.553 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)N(C)C)cc1 ZINC000416014895 838405204 /nfs/dbraw/zinc/40/52/04/838405204.db2.gz SZCHSIUVZFSJKV-NRFANRHFSA-N 1 3 382.508 3.501 20 0 GHADHO [NH3+]Cc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653136668 838657678 /nfs/dbraw/zinc/65/76/78/838657678.db2.gz ZTLQBLKPJKFHLR-STQMWFEESA-N 1 3 384.320 3.850 20 0 GHADHO CCCC[NH+](CCCC)CCNc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001167733491 838718687 /nfs/dbraw/zinc/71/86/87/838718687.db2.gz XHSUUAVQTZLJNA-UHFFFAOYSA-N 1 3 377.577 3.839 20 0 GHADHO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)c(F)c1 ZINC000549166052 839125845 /nfs/dbraw/zinc/12/58/45/839125845.db2.gz NIBAIUZPGQUDFR-OAQYLSRUSA-N 1 3 383.511 3.963 20 0 GHADHO C[C@@H](NC1CCC(C[NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000415101238 839205463 /nfs/dbraw/zinc/20/54/63/839205463.db2.gz HILBCKQXZIFHHP-XIKARTHZSA-N 1 3 379.302 3.667 20 0 GHADHO C[C@H](CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1cccc(Br)c1 ZINC000415114125 839224101 /nfs/dbraw/zinc/22/41/01/839224101.db2.gz VIENNTVWWWQFAZ-CCKFTAQKSA-N 1 3 381.358 3.771 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000580315370 839257129 /nfs/dbraw/zinc/25/71/29/839257129.db2.gz FMYSTZWLVNERIW-QFIPXVFZSA-N 1 3 394.563 3.802 20 0 GHADHO C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000378572619 839351064 /nfs/dbraw/zinc/35/10/64/839351064.db2.gz PLBPSYLLXZSUQE-RXVVDRJESA-N 1 3 376.504 3.779 20 0 GHADHO C[C@H](NCCc1nnc(-c2ccccc2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378572619 839351085 /nfs/dbraw/zinc/35/10/85/839351085.db2.gz PLBPSYLLXZSUQE-RXVVDRJESA-N 1 3 376.504 3.779 20 0 GHADHO C[C@H](NCCc1nnc(-c2ccccc2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378572619 839351097 /nfs/dbraw/zinc/35/10/97/839351097.db2.gz PLBPSYLLXZSUQE-RXVVDRJESA-N 1 3 376.504 3.779 20 0 GHADHO CCCN(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580585634 839850533 /nfs/dbraw/zinc/85/05/33/839850533.db2.gz RVHHAORNAHWKRC-VZKPYBMVSA-N 1 3 377.960 3.712 20 0 GHADHO CCCN(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000580585634 839850541 /nfs/dbraw/zinc/85/05/41/839850541.db2.gz RVHHAORNAHWKRC-VZKPYBMVSA-N 1 3 377.960 3.712 20 0 GHADHO [NH3+]CCC[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000416838395 840207519 /nfs/dbraw/zinc/20/75/19/840207519.db2.gz JCQZKYQWAZVQEV-MOPGFXCFSA-N 1 3 386.565 3.664 20 0 GHADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416842312 840220641 /nfs/dbraw/zinc/22/06/41/840220641.db2.gz NCUPWSJKRUXBCO-ZWKOTPCHSA-N 1 3 380.602 3.536 20 0 GHADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416842311 840220916 /nfs/dbraw/zinc/22/09/16/840220916.db2.gz NCUPWSJKRUXBCO-ROUUACIJSA-N 1 3 380.602 3.536 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H]3CN(CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000580920888 840434058 /nfs/dbraw/zinc/43/40/58/840434058.db2.gz RISKWBISRZPTRH-FCHUYYIVSA-N 1 3 388.515 3.733 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H]3CN(CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000580920888 840434064 /nfs/dbraw/zinc/43/40/64/840434064.db2.gz RISKWBISRZPTRH-FCHUYYIVSA-N 1 3 388.515 3.733 20 0 GHADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799137 844551491 /nfs/dbraw/zinc/55/14/91/844551491.db2.gz UATMBIMWUDSWRS-GUYCJALGSA-N 1 3 384.305 3.816 20 0 GHADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799137 844551498 /nfs/dbraw/zinc/55/14/98/844551498.db2.gz UATMBIMWUDSWRS-GUYCJALGSA-N 1 3 384.305 3.816 20 0 GHADHO Cc1cc(Cl)cc(C)c1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000511628492 840846985 /nfs/dbraw/zinc/84/69/85/840846985.db2.gz NEEWGNLZCBEIEA-UHFFFAOYSA-N 1 3 394.003 3.873 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000512571369 844590586 /nfs/dbraw/zinc/59/05/86/844590586.db2.gz BAIRWHGNGALUQM-KNQAVFIVSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000512571369 844590592 /nfs/dbraw/zinc/59/05/92/844590592.db2.gz BAIRWHGNGALUQM-KNQAVFIVSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549475435 841049340 /nfs/dbraw/zinc/04/93/40/841049340.db2.gz FISDXOSPAAYCOL-YLJYHZDGSA-N 1 3 394.991 3.897 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549475435 841049350 /nfs/dbraw/zinc/04/93/50/841049350.db2.gz FISDXOSPAAYCOL-YLJYHZDGSA-N 1 3 394.991 3.897 20 0 GHADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653590 841059809 /nfs/dbraw/zinc/05/98/09/841059809.db2.gz BXWUUGJJDAWXOF-UPVQGACJSA-N 1 3 380.532 3.511 20 0 GHADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653590 841059819 /nfs/dbraw/zinc/05/98/19/841059819.db2.gz BXWUUGJJDAWXOF-UPVQGACJSA-N 1 3 380.532 3.511 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000500090079 841407305 /nfs/dbraw/zinc/40/73/05/841407305.db2.gz OIOIVAVNOVUSAK-QHCPKHFHSA-N 1 3 394.563 3.602 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@H](C)C1 ZINC000651710243 841409628 /nfs/dbraw/zinc/40/96/28/841409628.db2.gz VOFHRDDUSPTZKB-AUSIDOKSSA-N 1 3 384.568 3.716 20 0 GHADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000581660981 841930914 /nfs/dbraw/zinc/93/09/14/841930914.db2.gz SISHRRKQRYCJSL-FUBOCBINSA-N 1 3 383.580 3.559 20 0 GHADHO C[C@H]1CN(CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCO1 ZINC000432369601 842221471 /nfs/dbraw/zinc/22/14/71/842221471.db2.gz QZFVXWOVTMXAQM-AWEZNQCLSA-N 1 3 385.335 3.860 20 0 GHADHO CN(c1nc2cccc(OC(F)F)c2s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000663590616 842264349 /nfs/dbraw/zinc/26/43/49/842264349.db2.gz BMBCKBFGVDDCRU-CQSZACIVSA-N 1 3 396.507 3.502 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652335228 842270432 /nfs/dbraw/zinc/27/04/32/842270432.db2.gz YYSASXKHKPMFGQ-IIZPIQPGSA-N 1 3 377.532 3.548 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652335228 842270441 /nfs/dbraw/zinc/27/04/41/842270441.db2.gz YYSASXKHKPMFGQ-IIZPIQPGSA-N 1 3 377.532 3.548 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000178038046 861297211 /nfs/dbraw/zinc/29/72/11/861297211.db2.gz SSPXSMPLSJFFPA-OALUTQOASA-N 1 3 394.003 3.783 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cncc(OCc3ccccc3)c2)C1 ZINC000652364030 842372453 /nfs/dbraw/zinc/37/24/53/842372453.db2.gz VRIBOKNZALZGRI-YMPZKCBVSA-N 1 3 381.520 3.521 20 0 GHADHO [NH3+]CCCn1ccc2cc(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)ccc21 ZINC000430752336 842932401 /nfs/dbraw/zinc/93/24/01/842932401.db2.gz CBAUEGIAJCFOKA-QFIPXVFZSA-N 1 3 390.531 3.557 20 0 GHADHO COc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Br)c1OC ZINC000662298440 843091401 /nfs/dbraw/zinc/09/14/01/843091401.db2.gz WDPOKZFALRJIEY-OAHLLOKOSA-N 1 3 397.357 3.678 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN(C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512412754 843725389 /nfs/dbraw/zinc/72/53/89/843725389.db2.gz RBRSHHFERZIOBZ-IFMALSPDSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN(C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412754 843725391 /nfs/dbraw/zinc/72/53/91/843725391.db2.gz RBRSHHFERZIOBZ-IFMALSPDSA-N 1 3 398.595 3.557 20 0 GHADHO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199830 843823584 /nfs/dbraw/zinc/82/35/84/843823584.db2.gz MXRAGOYNCLXOJI-VDGAXYAQSA-N 1 3 382.504 3.890 20 0 GHADHO COC(=O)c1cc([C@H](C)[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199830 843823592 /nfs/dbraw/zinc/82/35/92/843823592.db2.gz MXRAGOYNCLXOJI-VDGAXYAQSA-N 1 3 382.504 3.890 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(C[C@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477941 843958497 /nfs/dbraw/zinc/95/84/97/843958497.db2.gz AQPAFYZHVJIMCT-OZXSUGGESA-N 1 3 389.587 3.684 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(C[C@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477941 843958499 /nfs/dbraw/zinc/95/84/99/843958499.db2.gz AQPAFYZHVJIMCT-OZXSUGGESA-N 1 3 389.587 3.684 20 0 GHADHO C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(C)(C)C ZINC000522479845 861486959 /nfs/dbraw/zinc/48/69/59/861486959.db2.gz QMPLSMIQOMROMM-UYAOXDASSA-N 1 3 377.548 3.520 20 0 GHADHO CN1CCC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000318963254 845433775 /nfs/dbraw/zinc/43/37/75/845433775.db2.gz CWKYZDJETIUHRP-GFCCVEGCSA-N 1 3 381.236 3.779 20 0 GHADHO CC(C)C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000509931408 845598959 /nfs/dbraw/zinc/59/89/59/845598959.db2.gz RPRBBINUNYVVOD-QUCCMNQESA-N 1 3 399.501 3.534 20 0 GHADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000472096743 845828169 /nfs/dbraw/zinc/82/81/69/845828169.db2.gz SZWBFBUYVIUJSN-JOCHJYFZSA-N 1 3 386.584 3.649 20 0 GHADHO O=C(Nc1cccc(C[NH2+]Cc2ccnn2-c2ccncc2)c1)C1CCCC1 ZINC000657316463 846150151 /nfs/dbraw/zinc/15/01/51/846150151.db2.gz HKGDJWYTKXZJKE-UHFFFAOYSA-N 1 3 375.476 3.686 20 0 GHADHO O=C(Nc1cccc(CNCc2ccnn2-c2cc[nH+]cc2)c1)C1CCCC1 ZINC000657316463 846150157 /nfs/dbraw/zinc/15/01/57/846150157.db2.gz HKGDJWYTKXZJKE-UHFFFAOYSA-N 1 3 375.476 3.686 20 0 GHADHO OC1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CCN(Cc2ccccc2)CC1 ZINC000414527803 846331101 /nfs/dbraw/zinc/33/11/01/846331101.db2.gz RZGBCFKUGFSUMA-UHFFFAOYSA-N 1 3 380.532 3.592 20 0 GHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000501023809 846558503 /nfs/dbraw/zinc/55/85/03/846558503.db2.gz AARPDQIBFJYSEJ-NRFANRHFSA-N 1 3 398.938 3.689 20 0 GHADHO CCc1ccc(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501049209 846577347 /nfs/dbraw/zinc/57/73/47/846577347.db2.gz UFKDYDICQITRPT-SFHVURJKSA-N 1 3 380.536 3.819 20 0 GHADHO C[C@H]1CCc2ccccc2N1C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085825 846629043 /nfs/dbraw/zinc/62/90/43/846629043.db2.gz IKVFFEDSPRRHGO-IBGZPJMESA-N 1 3 392.547 3.598 20 0 GHADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501091260 846632487 /nfs/dbraw/zinc/63/24/87/846632487.db2.gz VAKDULJDTWQZKS-GOSISDBHSA-N 1 3 398.526 3.589 20 0 GHADHO C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)N(C)Cc1ccccc1 ZINC000502966209 846670763 /nfs/dbraw/zinc/67/07/63/846670763.db2.gz GRWVCVQQNGUAST-WOJBJXKFSA-N 1 3 396.579 3.936 20 0 GHADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000582295392 846809437 /nfs/dbraw/zinc/80/94/37/846809437.db2.gz GDRSFWQWGZNQSO-SWDVRCMSSA-N 1 3 391.515 3.942 20 0 GHADHO Cc1ncsc1-c1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000657400803 846952876 /nfs/dbraw/zinc/95/28/76/846952876.db2.gz OGELLUHXJNJIPF-SFTDATJTSA-N 1 3 385.577 3.976 20 0 GHADHO C[NH+](C)CCCCN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272492440 847090713 /nfs/dbraw/zinc/09/07/13/847090713.db2.gz UQEHXJHATJQKFX-HXUWFJFHSA-N 1 3 394.968 3.764 20 0 GHADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000501800077 847200499 /nfs/dbraw/zinc/20/04/99/847200499.db2.gz JCDAKNVVEKSLJW-RTBURBONSA-N 1 3 392.613 3.695 20 0 GHADHO COc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000272902211 847203069 /nfs/dbraw/zinc/20/30/69/847203069.db2.gz KKJJUKZYGWUUNK-GCJKJVERSA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000272902211 847203081 /nfs/dbraw/zinc/20/30/81/847203081.db2.gz KKJJUKZYGWUUNK-GCJKJVERSA-N 1 3 395.547 3.552 20 0 GHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511124374 847221257 /nfs/dbraw/zinc/22/12/57/847221257.db2.gz SQCARNSNEWHAKZ-RPWUZVMVSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511124374 847221270 /nfs/dbraw/zinc/22/12/70/847221270.db2.gz SQCARNSNEWHAKZ-RPWUZVMVSA-N 1 3 391.559 3.679 20 0 GHADHO c1ccc([C@H](C[C@@H]2CCOC2)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423007911 847935130 /nfs/dbraw/zinc/93/51/30/847935130.db2.gz ZBRZIFALEGJAJF-IVDSKFSHSA-N 1 3 378.516 4.000 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423046747 847942324 /nfs/dbraw/zinc/94/23/24/847942324.db2.gz FQRHCDPUWVSWCG-DJJJIMSYSA-N 1 3 380.458 3.821 20 0 GHADHO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423030192 847945552 /nfs/dbraw/zinc/94/55/52/847945552.db2.gz JMTMCZFOUVKMMN-LPLGYCIKSA-N 1 3 392.469 3.752 20 0 GHADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423068742 847960342 /nfs/dbraw/zinc/96/03/42/847960342.db2.gz KWKAKXCZVOITOM-NORZTCDRSA-N 1 3 376.850 3.732 20 0 GHADHO CC(=O)NCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000657544059 848158062 /nfs/dbraw/zinc/15/80/62/848158062.db2.gz LRQXKJZQROGFIP-QHCPKHFHSA-N 1 3 377.532 3.610 20 0 GHADHO CC(=O)NCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000657544059 848158069 /nfs/dbraw/zinc/15/80/69/848158069.db2.gz LRQXKJZQROGFIP-QHCPKHFHSA-N 1 3 377.532 3.610 20 0 GHADHO CC[C@@H](C)Oc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657593694 848286026 /nfs/dbraw/zinc/28/60/26/848286026.db2.gz BLYYUPSYGGLXDM-XMSQKQJNSA-N 1 3 398.547 3.729 20 0 GHADHO CC[C@@H](C)Oc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657593694 848286032 /nfs/dbraw/zinc/28/60/32/848286032.db2.gz BLYYUPSYGGLXDM-XMSQKQJNSA-N 1 3 398.547 3.729 20 0 GHADHO COc1cc2cccnc2c(N(c2ccc3c(n2)CNCC3)[C@@H](C)CCC[NH3+])c1 ZINC001167613026 848321513 /nfs/dbraw/zinc/32/15/13/848321513.db2.gz SLQBXBBFBOUABJ-INIZCTEOSA-N 1 3 391.519 3.550 20 0 GHADHO Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(-c2cnn(C)c2)c1 ZINC000657612697 848339073 /nfs/dbraw/zinc/33/90/73/848339073.db2.gz CRKIZJVPXQDQQP-UHFFFAOYSA-N 1 3 389.547 3.792 20 0 GHADHO CCCOc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1OC ZINC000657612746 848339984 /nfs/dbraw/zinc/33/99/84/848339984.db2.gz RBCDSCQBOGPSTA-UHFFFAOYSA-N 1 3 383.536 3.881 20 0 GHADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000078804613 848678449 /nfs/dbraw/zinc/67/84/49/848678449.db2.gz MYSZIAGNMKEXBL-MRXNPFEDSA-N 1 3 375.340 3.538 20 0 GHADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000078804613 848678456 /nfs/dbraw/zinc/67/84/56/848678456.db2.gz MYSZIAGNMKEXBL-MRXNPFEDSA-N 1 3 375.340 3.538 20 0 GHADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000604178806 861935865 /nfs/dbraw/zinc/93/58/65/861935865.db2.gz FQVAEQORZWUVTH-UNMCSNQZSA-N 1 3 386.584 3.635 20 0 GHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(I)cc1 ZINC000423183953 849775572 /nfs/dbraw/zinc/77/55/72/849775572.db2.gz HAFJSWFHOFXGND-CQSZACIVSA-N 1 3 395.288 3.517 20 0 GHADHO CC(C)CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000458513243 849841153 /nfs/dbraw/zinc/84/11/53/849841153.db2.gz MWOYBVNTNHCXJL-UHFFFAOYSA-N 1 3 394.629 3.579 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)CCc2n[nH]c3ccccc32)cc1 ZINC000423326042 849867261 /nfs/dbraw/zinc/86/72/61/849867261.db2.gz JBNYQDNGOFYAHZ-NVVBAYIOSA-N 1 3 378.520 3.628 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCCC[NH2+]C1CC1 ZINC000423557686 849969788 /nfs/dbraw/zinc/96/97/88/849969788.db2.gz NNOTZYBDDKLCJZ-LLVKDONJSA-N 1 3 377.838 3.808 20 0 GHADHO CCc1ccc([C@H](NCCC2=CC[NH2+]CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423544210 849975398 /nfs/dbraw/zinc/97/53/98/849975398.db2.gz WDAFAZYEBAVNTC-QHCPKHFHSA-N 1 3 398.572 3.641 20 0 GHADHO CN(C)[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000514567347 850014004 /nfs/dbraw/zinc/01/40/04/850014004.db2.gz QCMSTADJXKUGTO-HSZRJFAPSA-N 1 3 394.563 3.775 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N(CC)CC[NH+]1CCCCCC1)c1ccco1 ZINC000509595634 850113611 /nfs/dbraw/zinc/11/36/11/850113611.db2.gz IILNHYWDVXBGNL-RBUKOAKNSA-N 1 3 378.561 3.616 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000514661682 850122283 /nfs/dbraw/zinc/12/22/83/850122283.db2.gz LBJAKDDSOWIMRQ-KRWDZBQOSA-N 1 3 394.519 3.516 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000518924971 850337263 /nfs/dbraw/zinc/33/72/63/850337263.db2.gz PRIGTLTXWJYEHF-NRFANRHFSA-N 1 3 399.623 3.910 20 0 GHADHO CCOC(=O)c1c(C)c2ccccc2nc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302585 850343557 /nfs/dbraw/zinc/34/35/57/850343557.db2.gz ZYSXVWAHTOVIEZ-INIZCTEOSA-N 1 3 381.520 3.684 20 0 GHADHO CCOC(=O)c1c(C)c2ccccc2nc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302587 850344617 /nfs/dbraw/zinc/34/46/17/850344617.db2.gz ZYSXVWAHTOVIEZ-MRXNPFEDSA-N 1 3 381.520 3.684 20 0 GHADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000487109796 850463609 /nfs/dbraw/zinc/46/36/09/850463609.db2.gz PFJCYKGGAAEVHS-QHCPKHFHSA-N 1 3 391.559 3.577 20 0 GHADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000487109796 850463612 /nfs/dbraw/zinc/46/36/12/850463612.db2.gz PFJCYKGGAAEVHS-QHCPKHFHSA-N 1 3 391.559 3.577 20 0 GHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414793144 850511717 /nfs/dbraw/zinc/51/17/17/850511717.db2.gz DHAGDJPMYGJARC-KXBFYZLASA-N 1 3 380.374 3.521 20 0 GHADHO COCCOc1ccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435430903 850514435 /nfs/dbraw/zinc/51/44/35/850514435.db2.gz FUICFMJIRMTVJV-OAQYLSRUSA-N 1 3 386.561 3.918 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccsc1 ZINC000487862986 850940865 /nfs/dbraw/zinc/94/08/65/850940865.db2.gz VEWPXBVKJIIQJG-XLIONFOSSA-N 1 3 392.613 3.647 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccsc1 ZINC000487862986 850940871 /nfs/dbraw/zinc/94/08/71/850940871.db2.gz VEWPXBVKJIIQJG-XLIONFOSSA-N 1 3 392.613 3.647 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(C)C[C@H]3c3ccccc3)CC2)CC1 ZINC000425444213 851125836 /nfs/dbraw/zinc/12/58/36/851125836.db2.gz LZUJXSGNJHCPIK-QFIPXVFZSA-N 1 3 398.595 3.728 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)N1CCCCC1 ZINC000522646359 862228356 /nfs/dbraw/zinc/22/83/56/862228356.db2.gz OOBHVTQFFAYJBB-LJQANCHMSA-N 1 3 381.948 3.729 20 0 GHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000514161442 851316583 /nfs/dbraw/zinc/31/65/83/851316583.db2.gz AMWOUBQAXSHPOD-QZTJIDSGSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000514161442 851316592 /nfs/dbraw/zinc/31/65/92/851316592.db2.gz AMWOUBQAXSHPOD-QZTJIDSGSA-N 1 3 392.613 3.695 20 0 GHADHO COCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000517509631 852026859 /nfs/dbraw/zinc/02/68/59/852026859.db2.gz NVKGWLVLGPWYRV-ZLNRFVROSA-N 1 3 395.547 3.640 20 0 GHADHO C[C@@H]1C[C@@H](NCc2cccc(N3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000550227717 852053170 /nfs/dbraw/zinc/05/31/70/852053170.db2.gz JDOQVAASKVLKSV-OFNKIYASSA-N 1 3 379.548 3.666 20 0 GHADHO C[C@@H]1C[C@@H](NCc2cccc(N3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000550227717 852053175 /nfs/dbraw/zinc/05/31/75/852053175.db2.gz JDOQVAASKVLKSV-OFNKIYASSA-N 1 3 379.548 3.666 20 0 GHADHO CC1CCN(C[C@@H](O)C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038383 852496480 /nfs/dbraw/zinc/49/64/80/852496480.db2.gz ZBZSSNZOKSONCO-FCHUYYIVSA-N 1 3 387.955 3.701 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414947214 852803696 /nfs/dbraw/zinc/80/36/96/852803696.db2.gz VRGFHZQQIRXZSG-RWSFTLGLSA-N 1 3 377.838 3.664 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414947214 852803704 /nfs/dbraw/zinc/80/37/04/852803704.db2.gz VRGFHZQQIRXZSG-RWSFTLGLSA-N 1 3 377.838 3.664 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414947212 852804049 /nfs/dbraw/zinc/80/40/49/852804049.db2.gz VRGFHZQQIRXZSG-FIXISWKDSA-N 1 3 377.838 3.664 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414947212 852804060 /nfs/dbraw/zinc/80/40/60/852804060.db2.gz VRGFHZQQIRXZSG-FIXISWKDSA-N 1 3 377.838 3.664 20 0 GHADHO CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000507513440 852991955 /nfs/dbraw/zinc/99/19/55/852991955.db2.gz RNDMHBDMQUQGNY-MYGLTJDJSA-N 1 3 392.591 3.996 20 0 GHADHO c1coc([C@H](CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)N2CCCC2)c1 ZINC000507513991 852992577 /nfs/dbraw/zinc/99/25/77/852992577.db2.gz SLAWANMELANLSU-BJESRGMDSA-N 1 3 379.548 3.917 20 0 GHADHO c1coc([C@H](CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)N2CCCC2)c1 ZINC000507513991 852992590 /nfs/dbraw/zinc/99/25/90/852992590.db2.gz SLAWANMELANLSU-BJESRGMDSA-N 1 3 379.548 3.917 20 0 GHADHO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000507521842 853004711 /nfs/dbraw/zinc/00/47/11/853004711.db2.gz BBKGONHOIKOKMP-MLDBQTBOSA-N 1 3 378.564 3.822 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]CC3=Cc4ccccc4OC3)CC2)cc1 ZINC000518272817 853147407 /nfs/dbraw/zinc/14/74/07/853147407.db2.gz VAKQOXUHPQTUGD-UHFFFAOYSA-N 1 3 391.559 3.650 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490702960 853201616 /nfs/dbraw/zinc/20/16/16/853201616.db2.gz WAJMTPYMHVWOMV-OFVILXPXSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490702960 853201621 /nfs/dbraw/zinc/20/16/21/853201621.db2.gz WAJMTPYMHVWOMV-OFVILXPXSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@H]1CN(CCCOc2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490956719 853368844 /nfs/dbraw/zinc/36/88/44/853368844.db2.gz AXWLQFCXYPLLKQ-REWPJTCUSA-N 1 3 387.612 3.711 20 0 GHADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1ccc2ccccc2c1 ZINC000519843660 853536055 /nfs/dbraw/zinc/53/60/55/853536055.db2.gz RKDJYOANUSUUAB-DEOSSOPVSA-N 1 3 390.527 3.965 20 0 GHADHO O=C(c1ccco1)N1CCC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167988689 853690629 /nfs/dbraw/zinc/69/06/29/853690629.db2.gz MRUAMPJVIKTAJM-WCRBZPEASA-N 1 3 397.563 3.613 20 0 GHADHO O=C(c1ccco1)N1CCC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167988689 853690636 /nfs/dbraw/zinc/69/06/36/853690636.db2.gz MRUAMPJVIKTAJM-WCRBZPEASA-N 1 3 397.563 3.613 20 0 GHADHO O=C(c1ccco1)N1CCC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)CC2 ZINC001167988689 853690641 /nfs/dbraw/zinc/69/06/41/853690641.db2.gz MRUAMPJVIKTAJM-WCRBZPEASA-N 1 3 397.563 3.613 20 0 GHADHO CNC(=O)C[C@H]1CC2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)c2ccccc21 ZINC001168379456 853944542 /nfs/dbraw/zinc/94/45/42/853944542.db2.gz KHJJUFWEWQUJLB-FQEVSTJZSA-N 1 3 395.591 3.518 20 0 GHADHO CNC(=O)C[C@@H]1CC2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)c2ccccc21 ZINC001168379460 853944576 /nfs/dbraw/zinc/94/45/76/853944576.db2.gz KHJJUFWEWQUJLB-HXUWFJFHSA-N 1 3 395.591 3.518 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccsc1 ZINC000520200527 853962643 /nfs/dbraw/zinc/96/26/43/853962643.db2.gz YHMXSGKFLLZPDK-SFHVURJKSA-N 1 3 380.602 3.647 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccsc1 ZINC000520200527 853962652 /nfs/dbraw/zinc/96/26/52/853962652.db2.gz YHMXSGKFLLZPDK-SFHVURJKSA-N 1 3 380.602 3.647 20 0 GHADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000571811833 854165149 /nfs/dbraw/zinc/16/51/49/854165149.db2.gz ZSUVDQCAVKOOJK-FCJDFRRUSA-N 1 3 383.580 3.620 20 0 GHADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000571811833 854165156 /nfs/dbraw/zinc/16/51/56/854165156.db2.gz ZSUVDQCAVKOOJK-FCJDFRRUSA-N 1 3 383.580 3.620 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc(-c4ccccc4)o3)CC2)CC1 ZINC000050800123 854359499 /nfs/dbraw/zinc/35/94/99/854359499.db2.gz WNBJQIUWLNKKPM-UHFFFAOYSA-N 1 3 395.547 3.554 20 0 GHADHO Cc1cc(Cl)cc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000507747108 854518105 /nfs/dbraw/zinc/51/81/05/854518105.db2.gz KHAGBFXKHPURTD-UHFFFAOYSA-N 1 3 379.976 3.564 20 0 GHADHO CC(C)N1CCC([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000624105953 862656888 /nfs/dbraw/zinc/65/68/88/862656888.db2.gz JECISKLMDVAZCX-QHCPKHFHSA-N 1 3 377.532 3.846 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCC12CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168399371 855350698 /nfs/dbraw/zinc/35/06/98/855350698.db2.gz ZVNJFMPWMGMTAU-LJQANCHMSA-N 1 3 377.573 3.630 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000180975543 862697137 /nfs/dbraw/zinc/69/71/37/862697137.db2.gz RHIQSSUTZRXUFW-LJQANCHMSA-N 1 3 395.547 3.762 20 0 GHADHO COc1ccc([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1F ZINC000180977507 862700176 /nfs/dbraw/zinc/70/01/76/862700176.db2.gz CVLXZBDXPLFOJY-KRWDZBQOSA-N 1 3 399.510 3.511 20 0 GHADHO C[C@@H](CCCc1ccccc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000181088769 862746752 /nfs/dbraw/zinc/74/67/52/862746752.db2.gz TXIKTDBHYDWQSS-NRFANRHFSA-N 1 3 385.596 3.712 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)N2CCCC2)cc1 ZINC000591581740 856162565 /nfs/dbraw/zinc/16/25/65/856162565.db2.gz XDFYBNNPTRBPHY-FGZHOGPDSA-N 1 3 386.584 3.552 20 0 GHADHO CCOC(=O)COc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000181198986 862794980 /nfs/dbraw/zinc/79/49/80/862794980.db2.gz JIPOTYQHXTYDTO-UHFFFAOYSA-N 1 3 388.552 3.558 20 0 GHADHO CCOC(=O)COc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000181198986 862794992 /nfs/dbraw/zinc/79/49/92/862794992.db2.gz JIPOTYQHXTYDTO-UHFFFAOYSA-N 1 3 388.552 3.558 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146469 856816959 /nfs/dbraw/zinc/81/69/59/856816959.db2.gz VGCIMUAFEAQPMZ-QRWLVFNGSA-N 1 3 389.337 3.867 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146469 856816966 /nfs/dbraw/zinc/81/69/66/856816966.db2.gz VGCIMUAFEAQPMZ-QRWLVFNGSA-N 1 3 389.337 3.867 20 0 GHADHO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000521435962 857994551 /nfs/dbraw/zinc/99/45/51/857994551.db2.gz HWFFATPUFBPNQU-GBESFXJTSA-N 1 3 379.504 3.737 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1(C)C ZINC000442876147 858191395 /nfs/dbraw/zinc/19/13/95/858191395.db2.gz PIKQUHVNUPHMPV-IEBWSBKVSA-N 1 3 383.502 3.957 20 0 GHADHO CN1CCN(CC[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1(C)C ZINC000442875562 858191675 /nfs/dbraw/zinc/19/16/75/858191675.db2.gz PCXSXVSLPRGFOY-XMMPIXPASA-N 1 3 379.592 3.846 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000442880646 858202741 /nfs/dbraw/zinc/20/27/41/858202741.db2.gz ZFGGHLJBSDSHJX-RBUKOAKNSA-N 1 3 383.502 3.957 20 0 GHADHO CC1CC[NH+](CCCNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC1 ZINC000521678455 858218873 /nfs/dbraw/zinc/21/88/73/858218873.db2.gz NRDOUZBIVHHDEH-UHFFFAOYSA-N 1 3 394.991 3.535 20 0 GHADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000443078000 858352768 /nfs/dbraw/zinc/35/27/68/858352768.db2.gz VTIJXLREAOFMEH-VGSWGCGISA-N 1 3 385.939 3.606 20 0 GHADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000521955746 858483278 /nfs/dbraw/zinc/48/32/78/858483278.db2.gz WBEPGAXSDVMZPX-OFNKIYASSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000521955746 858483282 /nfs/dbraw/zinc/48/32/82/858483282.db2.gz WBEPGAXSDVMZPX-OFNKIYASSA-N 1 3 379.548 3.535 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000067381494 858545668 /nfs/dbraw/zinc/54/56/68/858545668.db2.gz QHARNGZYYGSHGL-JOCHJYFZSA-N 1 3 382.552 3.583 20 0 GHADHO CN1CCC(CN[C@H](c2ccccc2)c2ccc(F)cn2)([NH+]2CCCCC2)CC1 ZINC000183685477 858796896 /nfs/dbraw/zinc/79/68/96/858796896.db2.gz JDDNLAHFNDMXOP-HSZRJFAPSA-N 1 3 396.554 3.850 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543238126 858990108 /nfs/dbraw/zinc/99/01/08/858990108.db2.gz FCRMMJQXODCNTF-RXVVDRJESA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543238126 858990115 /nfs/dbraw/zinc/99/01/15/858990115.db2.gz FCRMMJQXODCNTF-RXVVDRJESA-N 1 3 375.520 3.576 20 0 GHADHO C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000483058777 859101071 /nfs/dbraw/zinc/10/10/71/859101071.db2.gz QTXULXUIWRBNSY-OAQYLSRUSA-N 1 3 393.575 3.925 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000665363801 859134867 /nfs/dbraw/zinc/13/48/67/859134867.db2.gz CDPGGQACASAWPL-GIVPXCGWSA-N 1 3 386.584 3.554 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000665363801 859134870 /nfs/dbraw/zinc/13/48/70/859134870.db2.gz CDPGGQACASAWPL-GIVPXCGWSA-N 1 3 386.584 3.554 20 0 GHADHO Cc1sc([C@H](C)NC[C@H]2CC3(C[NH2+]C3)CO2)nc1-c1ccc(Cl)cc1 ZINC000923376912 859261007 /nfs/dbraw/zinc/26/10/07/859261007.db2.gz GNAUTQSNPDHJQT-BLLLJJGKSA-N 1 3 377.941 3.801 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000443670265 859263338 /nfs/dbraw/zinc/26/33/38/859263338.db2.gz SLZJZFZIMLACAH-PMACEKPBSA-N 1 3 389.584 3.536 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000443670265 859263351 /nfs/dbraw/zinc/26/33/51/859263351.db2.gz SLZJZFZIMLACAH-PMACEKPBSA-N 1 3 389.584 3.536 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000764716190 859579792 /nfs/dbraw/zinc/57/97/92/859579792.db2.gz UZTRHRDNTQFWHM-WMZHIEFXSA-N 1 3 377.532 3.814 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000764716190 859579801 /nfs/dbraw/zinc/57/98/01/859579801.db2.gz UZTRHRDNTQFWHM-WMZHIEFXSA-N 1 3 377.532 3.814 20 0 GHADHO CCc1ccc([C@H](CN2CCOCC2)NCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000543402524 859585111 /nfs/dbraw/zinc/58/51/11/859585111.db2.gz JMQGQXVKWNHJBC-VWLOTQADSA-N 1 3 395.591 3.864 20 0 GHADHO CCc1ccc([C@H](CN2CCOCC2)NCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000543402524 859585115 /nfs/dbraw/zinc/58/51/15/859585115.db2.gz JMQGQXVKWNHJBC-VWLOTQADSA-N 1 3 395.591 3.864 20 0 GHADHO CC(C)(C)OC(=O)Nc1cnc(CNC2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000922506100 860104370 /nfs/dbraw/zinc/10/43/70/860104370.db2.gz YIEVTDNZDIVBND-UHFFFAOYSA-N 1 3 389.544 3.710 20 0 GHADHO CC1([NH+]2CCCC2)CCC(NCc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000896393387 860691565 /nfs/dbraw/zinc/69/15/65/860691565.db2.gz VBWIUONKVDXBDZ-UHFFFAOYSA-N 1 3 399.004 3.520 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1(C)C ZINC000623387541 860979681 /nfs/dbraw/zinc/97/96/81/860979681.db2.gz HWEVCQYTRBCALE-RBUKOAKNSA-N 1 3 399.501 3.541 20 0 GHADHO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000498580863 860996252 /nfs/dbraw/zinc/99/62/52/860996252.db2.gz PVVZLFBVCRYKAR-PGRDOPGGSA-N 1 3 386.584 3.774 20 0 GHADHO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445697 863132191 /nfs/dbraw/zinc/13/21/91/863132191.db2.gz BHDUFGPLMIEHSW-JTHBVZDNSA-N 1 3 393.575 3.738 20 0 GHADHO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445697 863132200 /nfs/dbraw/zinc/13/22/00/863132200.db2.gz BHDUFGPLMIEHSW-JTHBVZDNSA-N 1 3 393.575 3.738 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445697 863132208 /nfs/dbraw/zinc/13/22/08/863132208.db2.gz BHDUFGPLMIEHSW-JTHBVZDNSA-N 1 3 393.575 3.738 20 0 GHADHO COc1ccccc1-c1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000532270655 881643964 /nfs/dbraw/zinc/64/39/64/881643964.db2.gz RRGBPORNPCHNKN-XZOQPEGZSA-N 1 3 380.532 3.830 20 0 GHADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000607173949 864135685 /nfs/dbraw/zinc/13/56/85/864135685.db2.gz HUOLBGMXJAIVEY-PWRODBHTSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000607173949 864135695 /nfs/dbraw/zinc/13/56/95/864135695.db2.gz HUOLBGMXJAIVEY-PWRODBHTSA-N 1 3 386.584 3.555 20 0 GHADHO COc1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000607366938 864350463 /nfs/dbraw/zinc/35/04/63/864350463.db2.gz YUSPJCOWCZUYOG-XMMPIXPASA-N 1 3 376.500 3.575 20 0 GHADHO COc1ccc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000607366938 864350474 /nfs/dbraw/zinc/35/04/74/864350474.db2.gz YUSPJCOWCZUYOG-XMMPIXPASA-N 1 3 376.500 3.575 20 0 GHADHO COc1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000607366936 864351317 /nfs/dbraw/zinc/35/13/17/864351317.db2.gz YUSPJCOWCZUYOG-DEOSSOPVSA-N 1 3 376.500 3.575 20 0 GHADHO COc1ccc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000607366936 864351334 /nfs/dbraw/zinc/35/13/34/864351334.db2.gz YUSPJCOWCZUYOG-DEOSSOPVSA-N 1 3 376.500 3.575 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccc(F)cc3)C2)s1 ZINC000554851241 865041777 /nfs/dbraw/zinc/04/17/77/865041777.db2.gz FBDIIQYCGVVHKR-KRWDZBQOSA-N 1 3 389.540 3.978 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccc(F)cc3)C2)s1 ZINC000554851241 865041787 /nfs/dbraw/zinc/04/17/87/865041787.db2.gz FBDIIQYCGVVHKR-KRWDZBQOSA-N 1 3 389.540 3.978 20 0 GHADHO C[C@@H](CCSc1ccccc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000554873327 865071589 /nfs/dbraw/zinc/07/15/89/865071589.db2.gz XKIOTMAGDBPXQA-FQEVSTJZSA-N 1 3 375.626 3.907 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000480743568 865211807 /nfs/dbraw/zinc/21/18/07/865211807.db2.gz HYBDFBHSDBOVLK-GHTZIAJQSA-N 1 3 375.557 3.630 20 0 GHADHO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000738312771 865528243 /nfs/dbraw/zinc/52/82/43/865528243.db2.gz CBAUIOUKPSIPCV-KNQAVFIVSA-N 1 3 386.584 3.668 20 0 GHADHO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000738312771 865528251 /nfs/dbraw/zinc/52/82/51/865528251.db2.gz CBAUIOUKPSIPCV-KNQAVFIVSA-N 1 3 386.584 3.668 20 0 GHADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000608684920 865555435 /nfs/dbraw/zinc/55/54/35/865555435.db2.gz CNZZAKSTQQRWKW-FGZHOGPDSA-N 1 3 386.584 3.729 20 0 GHADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000608684920 865555447 /nfs/dbraw/zinc/55/54/47/865555447.db2.gz CNZZAKSTQQRWKW-FGZHOGPDSA-N 1 3 386.584 3.729 20 0 GHADHO COC(=O)COc1c(C)cc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000063902121 865608366 /nfs/dbraw/zinc/60/83/66/865608366.db2.gz FFTZBMQYQHQHOC-UHFFFAOYSA-N 1 3 396.531 3.609 20 0 GHADHO CN(C)C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000555230220 865749462 /nfs/dbraw/zinc/74/94/62/865749462.db2.gz XKDREZJRASXBQF-PXNSSMCTSA-N 1 3 377.960 3.714 20 0 GHADHO CN(C)C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000555230220 865749470 /nfs/dbraw/zinc/74/94/70/865749470.db2.gz XKDREZJRASXBQF-PXNSSMCTSA-N 1 3 377.960 3.714 20 0 GHADHO Cc1cc(C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000622944662 865817491 /nfs/dbraw/zinc/81/74/91/865817491.db2.gz ZTUOJVQGRPCMLO-UHFFFAOYSA-N 1 3 378.948 3.637 20 0 GHADHO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000600014408 866037784 /nfs/dbraw/zinc/03/77/84/866037784.db2.gz VAPFSSKGFPXAJY-FCHUYYIVSA-N 1 3 399.623 3.958 20 0 GHADHO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000600014408 866037799 /nfs/dbraw/zinc/03/77/99/866037799.db2.gz VAPFSSKGFPXAJY-FCHUYYIVSA-N 1 3 399.623 3.958 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)CC1 ZINC000153291417 866329450 /nfs/dbraw/zinc/32/94/50/866329450.db2.gz BQYXYCAIMBFWML-URXFXBBRSA-N 1 3 395.591 3.863 20 0 GHADHO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H](c1ccccc1)N(C)C ZINC000478728154 866560720 /nfs/dbraw/zinc/56/07/20/866560720.db2.gz WDUSRXVAJIEORW-AUSIDOKSSA-N 1 3 394.563 3.773 20 0 GHADHO CCOc1ccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCC ZINC000534349947 866598192 /nfs/dbraw/zinc/59/81/92/866598192.db2.gz JPECYVZKFHZKPG-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO CCOc1ccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCC ZINC000534349947 866598200 /nfs/dbraw/zinc/59/82/00/866598200.db2.gz JPECYVZKFHZKPG-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(c4ccccc4)CCCC3)CC2)CC1 ZINC000553222182 867002738 /nfs/dbraw/zinc/00/27/38/867002738.db2.gz GMXBCDXGRXHHGW-UHFFFAOYSA-N 1 3 397.607 3.811 20 0 GHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000154021949 867209588 /nfs/dbraw/zinc/20/95/88/867209588.db2.gz CDSDELRNIKPFGF-HXUWFJFHSA-N 1 3 391.987 3.743 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000154271387 867328146 /nfs/dbraw/zinc/32/81/46/867328146.db2.gz RGERORAZNLJBGK-HNNXBMFYSA-N 1 3 378.611 3.858 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C)cc1 ZINC000156894741 868495032 /nfs/dbraw/zinc/49/50/32/868495032.db2.gz DLXJODPZTZDCOA-XZOQPEGZSA-N 1 3 379.548 3.933 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C)cc1 ZINC000156894741 868495039 /nfs/dbraw/zinc/49/50/39/868495039.db2.gz DLXJODPZTZDCOA-XZOQPEGZSA-N 1 3 379.548 3.933 20 0 GHADHO CN(C)[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000157436328 868653620 /nfs/dbraw/zinc/65/36/20/868653620.db2.gz UYFVJPWCWAGOPS-QFIPXVFZSA-N 1 3 379.548 3.708 20 0 GHADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121776133 882212437 /nfs/dbraw/zinc/21/24/37/882212437.db2.gz XVHLBRRYVHTAHW-SFHVURJKSA-N 1 3 389.609 3.609 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(OC4CCCCC4)c3)CC2)CC1 ZINC000157740846 868748813 /nfs/dbraw/zinc/74/88/13/868748813.db2.gz HQUCBBYXXXHFPZ-UHFFFAOYSA-N 1 3 399.579 3.687 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)CC1 ZINC000445889071 869114322 /nfs/dbraw/zinc/11/43/22/869114322.db2.gz YFSIWZXZNGTGJH-LJQANCHMSA-N 1 3 399.501 3.596 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n(C)c1C ZINC000462791872 870089354 /nfs/dbraw/zinc/08/93/54/870089354.db2.gz SXKJPSOAVDPSOM-KRWDZBQOSA-N 1 3 383.536 3.784 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n(C)c1C ZINC000462791872 870089368 /nfs/dbraw/zinc/08/93/68/870089368.db2.gz SXKJPSOAVDPSOM-KRWDZBQOSA-N 1 3 383.536 3.784 20 0 GHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000248140107 870298217 /nfs/dbraw/zinc/29/82/17/870298217.db2.gz PMYWTWSVEBVNGB-FGCOXFRFSA-N 1 3 384.612 3.926 20 0 GHADHO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)o1 ZINC000538724236 870430935 /nfs/dbraw/zinc/43/09/35/870430935.db2.gz YVOHIBASCORRPD-VGSWGCGISA-N 1 3 385.527 3.852 20 0 GHADHO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)o1 ZINC000538724236 870430941 /nfs/dbraw/zinc/43/09/41/870430941.db2.gz YVOHIBASCORRPD-VGSWGCGISA-N 1 3 385.527 3.852 20 0 GHADHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000540148710 870604448 /nfs/dbraw/zinc/60/44/48/870604448.db2.gz AWONYPQHWDEZHW-PKTZIBPZSA-N 1 3 381.568 3.951 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000248801568 870640229 /nfs/dbraw/zinc/64/02/29/870640229.db2.gz JTERWPMWBQIMRD-LAUBAEHRSA-N 1 3 391.515 3.745 20 0 GHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CN1C(=O)OC(C)(C)C ZINC001168808473 870859232 /nfs/dbraw/zinc/85/92/32/870859232.db2.gz RNLBEDGUINEIFY-ZQOQTTQJSA-N 1 3 399.579 3.885 20 0 GHADHO C[C@H](C(=O)NC1CCC(C)CC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538946083 870954520 /nfs/dbraw/zinc/95/45/20/870954520.db2.gz LHMYXDKGCHUHDN-OBXNSHGQSA-N 1 3 386.584 3.703 20 0 GHADHO COC(=O)[C@](C)(CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000447094983 871015253 /nfs/dbraw/zinc/01/52/53/871015253.db2.gz AUJQACQMOQHNFH-RVSNTGDXSA-N 1 3 398.522 3.899 20 0 GHADHO COC(=O)[C@](C)(CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000447094983 871015266 /nfs/dbraw/zinc/01/52/66/871015266.db2.gz AUJQACQMOQHNFH-RVSNTGDXSA-N 1 3 398.522 3.899 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134018 871223319 /nfs/dbraw/zinc/22/33/19/871223319.db2.gz PHISCOOOPPYQGP-PLACYPQZSA-N 1 3 375.507 3.849 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134018 871223334 /nfs/dbraw/zinc/22/33/34/871223334.db2.gz PHISCOOOPPYQGP-PLACYPQZSA-N 1 3 375.507 3.849 20 0 GHADHO CC(C)N1CCN(CCC[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000191568472 882518199 /nfs/dbraw/zinc/51/81/99/882518199.db2.gz DCUWGKKPFBCNEU-UHFFFAOYSA-N 1 3 398.570 3.682 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000191568472 882518212 /nfs/dbraw/zinc/51/82/12/882518212.db2.gz DCUWGKKPFBCNEU-UHFFFAOYSA-N 1 3 398.570 3.682 20 0 GHADHO CC(C)[C@H]1C[C@@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000447537537 871802897 /nfs/dbraw/zinc/80/28/97/871802897.db2.gz WQJQUENWNNBBBP-DHIUTWEWSA-N 1 3 379.548 3.952 20 0 GHADHO O=C1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1c1ccccc1 ZINC000447561240 871866733 /nfs/dbraw/zinc/86/67/33/871866733.db2.gz GZXUUHYJEZEJMO-PRTQVNTJSA-N 1 3 375.516 3.577 20 0 GHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071473 871979601 /nfs/dbraw/zinc/97/96/01/871979601.db2.gz HRQOHFWHRTXUMO-HIFRSBDPSA-N 1 3 383.330 3.525 20 0 GHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071473 871979607 /nfs/dbraw/zinc/97/96/07/871979607.db2.gz HRQOHFWHRTXUMO-HIFRSBDPSA-N 1 3 383.330 3.525 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H](C)C1 ZINC000122444259 882604137 /nfs/dbraw/zinc/60/41/37/882604137.db2.gz KZEPRWQHUOOKKM-XMSQKQJNSA-N 1 3 387.568 3.652 20 0 GHADHO CCCn1nc(C)c(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000093844189 872449118 /nfs/dbraw/zinc/44/91/18/872449118.db2.gz LZODUGQQBCUCDL-ROUUACIJSA-N 1 3 376.589 3.621 20 0 GHADHO Cn1ccc(C[NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000478306756 872831828 /nfs/dbraw/zinc/83/18/28/872831828.db2.gz BHEPXCBQPKMQHE-UHFFFAOYSA-N 1 3 394.485 3.736 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+][C@@H]3CCSC3)CC2)c1 ZINC000153076342 873170657 /nfs/dbraw/zinc/17/06/57/873170657.db2.gz ZMNOYZQSTYVHFF-QGZVFWFLSA-N 1 3 387.515 3.703 20 0 GHADHO CC[NH+](CC)CC1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000768303322 873221528 /nfs/dbraw/zinc/22/15/28/873221528.db2.gz LTKIVWHZJJCFMW-UHFFFAOYSA-N 1 3 376.545 3.982 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858013853 882722202 /nfs/dbraw/zinc/72/22/02/882722202.db2.gz GLPGRJQAWQKBDT-JOCHJYFZSA-N 1 3 381.520 3.553 20 0 GHADHO C[C@H](NC[C@H](O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603569 873967301 /nfs/dbraw/zinc/96/73/01/873967301.db2.gz QRMLODSBBYHHEQ-IPJJNNNSSA-N 1 3 388.596 3.966 20 0 GHADHO C[C@H](NC[C@H](O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603569 873967304 /nfs/dbraw/zinc/96/73/04/873967304.db2.gz QRMLODSBBYHHEQ-IPJJNNNSSA-N 1 3 388.596 3.966 20 0 GHADHO CCOc1ccc(CNC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1F ZINC000449525412 875003231 /nfs/dbraw/zinc/00/32/31/875003231.db2.gz RWEXYLYFAVVNCK-UHFFFAOYSA-N 1 3 399.510 3.937 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCC1CC[NH+](C)CC1 ZINC000105454694 875298500 /nfs/dbraw/zinc/29/85/00/875298500.db2.gz NJVVNAPLCVZBGI-UHFFFAOYSA-N 1 3 378.923 3.854 20 0 GHADHO c1ccc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C[C@@H]2CC=CCC2)C3)nc1 ZINC001201409489 875688779 /nfs/dbraw/zinc/68/87/79/875688779.db2.gz VFTPTCHEHXPODT-VTZPFEBOSA-N 1 3 395.591 3.988 20 0 GHADHO c1ccc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C[C@@H]2CC=CCC2)C3)nc1 ZINC001201409489 875688789 /nfs/dbraw/zinc/68/87/89/875688789.db2.gz VFTPTCHEHXPODT-VTZPFEBOSA-N 1 3 395.591 3.988 20 0 GHADHO Cc1cc(Br)cc(CN[C@H]2CC23CC[NH2+]CC3)c1OC(F)F ZINC000666953825 882974638 /nfs/dbraw/zinc/97/46/38/882974638.db2.gz ILOWJDUBGRFUIX-ZDUSSCGKSA-N 1 3 375.257 3.591 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)CC1 ZINC000192738424 883002602 /nfs/dbraw/zinc/00/26/02/883002602.db2.gz DANAXKYRMYMSJK-UHFFFAOYSA-N 1 3 386.559 3.903 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccccc3N3CCCCC3)cc2)C1 ZINC000850357199 876846241 /nfs/dbraw/zinc/84/62/41/876846241.db2.gz AODBYSFJECPMSV-QHCPKHFHSA-N 1 3 379.548 3.533 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccccc3N3CCCCC3)cc2)C1 ZINC000850357199 876846251 /nfs/dbraw/zinc/84/62/51/876846251.db2.gz AODBYSFJECPMSV-QHCPKHFHSA-N 1 3 379.548 3.533 20 0 GHADHO CC1(C)CCc2cc(CNCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)ccc2O1 ZINC000850357900 876848698 /nfs/dbraw/zinc/84/86/98/876848698.db2.gz XVYCUUZTTQRERN-QFIPXVFZSA-N 1 3 380.532 3.647 20 0 GHADHO CC1(C)CCc2cc(CNCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)ccc2O1 ZINC000850357900 876848705 /nfs/dbraw/zinc/84/87/05/876848705.db2.gz XVYCUUZTTQRERN-QFIPXVFZSA-N 1 3 380.532 3.647 20 0 GHADHO COC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C1CCOCC1 ZINC000850492536 876969840 /nfs/dbraw/zinc/96/98/40/876969840.db2.gz CCCKIFPWMXFJQC-PGRDOPGGSA-N 1 3 390.568 3.773 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000850517248 876988788 /nfs/dbraw/zinc/98/87/88/876988788.db2.gz XCQQUVKMSCWLKA-SFHVURJKSA-N 1 3 394.519 3.601 20 0 GHADHO c1ccc(COc2ccccc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243289 877357049 /nfs/dbraw/zinc/35/70/49/877357049.db2.gz WUOAHCGLOTVXLY-QHCPKHFHSA-N 1 3 380.532 3.856 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000477409454 877581889 /nfs/dbraw/zinc/58/18/89/877581889.db2.gz WYWHWHKSLCPRAR-FQEVSTJZSA-N 1 3 388.600 3.660 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000477409454 877581909 /nfs/dbraw/zinc/58/19/09/877581909.db2.gz WYWHWHKSLCPRAR-FQEVSTJZSA-N 1 3 388.600 3.660 20 0 GHADHO C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CC2 ZINC000615441559 877741600 /nfs/dbraw/zinc/74/16/00/877741600.db2.gz WHSCKZUYOGLVGK-QFIPXVFZSA-N 1 3 383.580 3.764 20 0 GHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175608321 877793080 /nfs/dbraw/zinc/79/30/80/877793080.db2.gz SNOGONSVKBOSHK-JOCHJYFZSA-N 1 3 384.568 3.530 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000551778895 877794650 /nfs/dbraw/zinc/79/46/50/877794650.db2.gz JJRNXRUKUCYEPP-RBUKOAKNSA-N 1 3 383.502 3.957 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000245475749 877956741 /nfs/dbraw/zinc/95/67/41/877956741.db2.gz SEVXVKOFGGDFHR-IRXDYDNUSA-N 1 3 379.976 3.753 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H]3CCC[C@@]4(CCOC4)O3)C2)s1 ZINC001170085347 878100736 /nfs/dbraw/zinc/10/07/36/878100736.db2.gz HOAFAWIWNXOQCH-SBHAEUEKSA-N 1 3 378.582 3.538 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H]3CCC[C@@]4(CCOC4)O3)C2)s1 ZINC001170085347 878100742 /nfs/dbraw/zinc/10/07/42/878100742.db2.gz HOAFAWIWNXOQCH-SBHAEUEKSA-N 1 3 378.582 3.538 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000176241068 878162019 /nfs/dbraw/zinc/16/20/19/878162019.db2.gz DABOKISLRYERPH-NRFANRHFSA-N 1 3 388.600 3.659 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000537943532 878559347 /nfs/dbraw/zinc/55/93/47/878559347.db2.gz QOFAETZXIMYCKE-WWMYMODYSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000537943532 878559353 /nfs/dbraw/zinc/55/93/53/878559353.db2.gz QOFAETZXIMYCKE-WWMYMODYSA-N 1 3 397.966 3.784 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000530939619 878775867 /nfs/dbraw/zinc/77/58/67/878775867.db2.gz GUKZADPKZNBOGR-IAGOWNOFSA-N 1 3 382.495 3.999 20 0 GHADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)ccc1OC(F)F ZINC000246278560 879334034 /nfs/dbraw/zinc/33/40/34/879334034.db2.gz BIAGODJMZHMGEO-JCGIZDLHSA-N 1 3 398.494 3.715 20 0 GHADHO CC[NH+]1CCC(N(C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000531381773 879746115 /nfs/dbraw/zinc/74/61/15/879746115.db2.gz HTYQSQHBJZOVNT-ILBGXUMGSA-N 1 3 396.575 3.878 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000729595198 879759239 /nfs/dbraw/zinc/75/92/39/879759239.db2.gz ZBYJEEGMHVZHMV-QHCPKHFHSA-N 1 3 394.563 3.554 20 0 GHADHO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168359442 879811411 /nfs/dbraw/zinc/81/14/11/879811411.db2.gz AIMYGYSQELWGQT-QFIPXVFZSA-N 1 3 399.579 3.812 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000246839648 879822336 /nfs/dbraw/zinc/82/23/36/879822336.db2.gz CBZWUMDDFHODQD-CPLUKWAASA-N 1 3 397.966 3.561 20 0 GHADHO C[C@@H]1CN(Cc2ccc(C[N@H+](C)Cc3cn(C)nc3C3CC3)cc2)C[C@H](C)O1 ZINC001183491473 912553813 /nfs/dbraw/zinc/55/38/13/912553813.db2.gz QIPDRAONUZZNNK-HDICACEKSA-N 1 3 382.552 3.539 20 0 GHADHO C[C@@H]1CN(Cc2ccc(C[N@@H+](C)Cc3cn(C)nc3C3CC3)cc2)C[C@H](C)O1 ZINC001183491473 912553824 /nfs/dbraw/zinc/55/38/24/912553824.db2.gz QIPDRAONUZZNNK-HDICACEKSA-N 1 3 382.552 3.539 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)Cc3cn(C)nc3C3CC3)cc2)C[C@H](C)O1 ZINC001183491473 912553833 /nfs/dbraw/zinc/55/38/33/912553833.db2.gz QIPDRAONUZZNNK-HDICACEKSA-N 1 3 382.552 3.539 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccc(CN(C)Cc3cn(C)nc3C3CC3)cc2)C[C@H](C)O1 ZINC001183491473 912553857 /nfs/dbraw/zinc/55/38/57/912553857.db2.gz QIPDRAONUZZNNK-HDICACEKSA-N 1 3 382.552 3.539 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000531738025 880369030 /nfs/dbraw/zinc/36/90/30/880369030.db2.gz CSLULPKYGZXTRC-FVQBIDKESA-N 1 3 387.446 3.765 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000531738025 880369040 /nfs/dbraw/zinc/36/90/40/880369040.db2.gz CSLULPKYGZXTRC-FVQBIDKESA-N 1 3 387.446 3.765 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119447 912578304 /nfs/dbraw/zinc/57/83/04/912578304.db2.gz NZZMMDOURXYXLF-ZWOKBUDYSA-N 1 3 379.504 3.579 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119447 912578317 /nfs/dbraw/zinc/57/83/17/912578317.db2.gz NZZMMDOURXYXLF-ZWOKBUDYSA-N 1 3 379.504 3.579 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(C)c1OC ZINC000286136274 912586449 /nfs/dbraw/zinc/58/64/49/912586449.db2.gz ORVONEJHYZHKOY-GOSISDBHSA-N 1 3 398.547 3.820 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](CN1CCOCC1)c1ccccc1C ZINC000542477779 880648204 /nfs/dbraw/zinc/64/82/04/880648204.db2.gz HJJRINPAZLUNOI-VWLOTQADSA-N 1 3 395.591 4.000 20 0 GHADHO C[N@H+](CCCCNCc1c(F)ccc(I)c1F)C1CC1 ZINC000453598042 881070463 /nfs/dbraw/zinc/07/04/63/881070463.db2.gz PCDXGQFZESXUHY-UHFFFAOYSA-N 1 3 394.247 3.533 20 0 GHADHO C[N@@H+](CCCCNCc1c(F)ccc(I)c1F)C1CC1 ZINC000453598042 881070481 /nfs/dbraw/zinc/07/04/81/881070481.db2.gz PCDXGQFZESXUHY-UHFFFAOYSA-N 1 3 394.247 3.533 20 0 GHADHO CN(C)CCN(Cc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000193298539 883213636 /nfs/dbraw/zinc/21/36/36/883213636.db2.gz NEYRLKJVSSBUMJ-UHFFFAOYSA-N 1 3 394.563 3.556 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000643522080 912729208 /nfs/dbraw/zinc/72/92/08/912729208.db2.gz HMPZULBKXRIZSX-DGCLKSJQSA-N 1 3 377.838 3.808 20 0 GHADHO Clc1ccccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911315 883671996 /nfs/dbraw/zinc/67/19/96/883671996.db2.gz QQHZBBFJHSLCML-KRWDZBQOSA-N 1 3 380.879 3.579 20 0 GHADHO Clc1ccccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911315 883671998 /nfs/dbraw/zinc/67/19/98/883671998.db2.gz QQHZBBFJHSLCML-KRWDZBQOSA-N 1 3 380.879 3.579 20 0 GHADHO C[C@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000465436404 883833412 /nfs/dbraw/zinc/83/34/12/883833412.db2.gz DQEVWESRTTYCQG-SFHVURJKSA-N 1 3 386.584 3.602 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760233720 884069328 /nfs/dbraw/zinc/06/93/28/884069328.db2.gz IBXNHSPUYLZFOH-QHCPKHFHSA-N 1 3 379.548 3.809 20 0 GHADHO COc1cc(F)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(OC)c1 ZINC001170527897 885538103 /nfs/dbraw/zinc/53/81/03/885538103.db2.gz GFDLBWAKBVCRRA-UHFFFAOYSA-N 1 3 397.494 3.752 20 0 GHADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C)c1OC ZINC000556891237 886517631 /nfs/dbraw/zinc/51/76/31/886517631.db2.gz ADFYHZLVWHIASL-GHTZIAJQSA-N 1 3 398.547 3.820 20 0 GHADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)c1OC ZINC000556891237 886517634 /nfs/dbraw/zinc/51/76/34/886517634.db2.gz ADFYHZLVWHIASL-GHTZIAJQSA-N 1 3 398.547 3.820 20 0 GHADHO c1c(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000556892469 886520918 /nfs/dbraw/zinc/52/09/18/886520918.db2.gz NSCBVUNWMKBHJK-KSEOMHKRSA-N 1 3 396.604 3.812 20 0 GHADHO [NH3+]Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000131816433 886562154 /nfs/dbraw/zinc/56/21/54/886562154.db2.gz BDVRMFZXKLKKKI-IBGZPJMESA-N 1 3 377.410 3.538 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001184326025 913151714 /nfs/dbraw/zinc/15/17/14/913151714.db2.gz NDOFOXZOYCVYIX-YUVVGHDESA-N 1 3 387.568 3.648 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3Cc3ccccc3)CC2)CC1 ZINC000050799460 887701926 /nfs/dbraw/zinc/70/19/26/887701926.db2.gz OJGFOYGLORFYCX-UHFFFAOYSA-N 1 3 391.559 3.566 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000809973162 888031472 /nfs/dbraw/zinc/03/14/72/888031472.db2.gz JPHIGEAJIDITMO-JOCHJYFZSA-N 1 3 375.532 3.501 20 0 GHADHO O[C@H](CNc1ccc2c(c1)C[NH2+]C2)CN(Cc1ccccc1)Cc1ccccc1 ZINC001170597721 888200626 /nfs/dbraw/zinc/20/06/26/888200626.db2.gz XMJUXQIZYCNMAI-RUZDIDTESA-N 1 3 387.527 3.765 20 0 GHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532764872 888909176 /nfs/dbraw/zinc/90/91/76/888909176.db2.gz ZDMWNFBVYDBKQN-AABGKKOBSA-N 1 3 397.563 3.838 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1)CC1CC1 ZINC000810867423 888970371 /nfs/dbraw/zinc/97/03/71/888970371.db2.gz VDYSMYFOBQXCLA-QFIPXVFZSA-N 1 3 381.580 3.560 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1)CC1CC1 ZINC000810867423 888970380 /nfs/dbraw/zinc/97/03/80/888970380.db2.gz VDYSMYFOBQXCLA-QFIPXVFZSA-N 1 3 381.580 3.560 20 0 GHADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000287385511 913304951 /nfs/dbraw/zinc/30/49/51/913304951.db2.gz ILUUMLWLJOSICI-UEQSERJNSA-N 1 3 383.580 3.525 20 0 GHADHO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CCC2 ZINC000126702807 890657023 /nfs/dbraw/zinc/65/70/23/890657023.db2.gz JGGFEMFKDFIXCY-IBGZPJMESA-N 1 3 384.593 3.620 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000127940781 891326605 /nfs/dbraw/zinc/32/66/05/891326605.db2.gz BBSMFYOQCISOKP-UGKGYDQZSA-N 1 3 395.547 3.504 20 0 GHADHO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(-n3cc(CN)nn3)c1)CCS2 ZINC000873245150 891547042 /nfs/dbraw/zinc/54/70/42/891547042.db2.gz XTBDJMUBCNJGHT-FQEVSTJZSA-N 1 3 379.533 3.670 20 0 GHADHO CCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000161590333 891761547 /nfs/dbraw/zinc/76/15/47/891761547.db2.gz MSNGRQRWQNVNDT-AWEZNQCLSA-N 1 3 382.346 3.630 20 0 GHADHO CN(C)CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000128465323 891968277 /nfs/dbraw/zinc/96/82/77/891968277.db2.gz CUZQAMUBJYXUNT-BRTIRZTQSA-N 1 3 398.595 3.698 20 0 GHADHO CN(C)CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000128465323 891968287 /nfs/dbraw/zinc/96/82/87/891968287.db2.gz CUZQAMUBJYXUNT-BRTIRZTQSA-N 1 3 398.595 3.698 20 0 GHADHO CCC(CC)(CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)[NH2+][C@H](C)c1ccccc1 ZINC000497685503 892192537 /nfs/dbraw/zinc/19/25/37/892192537.db2.gz FNPOEYPNPUAKDZ-HLAWJBBLSA-N 1 3 386.584 3.632 20 0 GHADHO COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CCN(Cc4cccnc4)C3)CC1)C2 ZINC001168275117 892433472 /nfs/dbraw/zinc/43/34/72/892433472.db2.gz WVPMNCBEWUXSSI-JOCHJYFZSA-N 1 3 377.532 3.546 20 0 GHADHO C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508721215 892970075 /nfs/dbraw/zinc/97/00/75/892970075.db2.gz ULXSDISZBYXZNN-XUZZJYLKSA-N 1 3 388.559 3.974 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@](C)(O)c2ccccc2)CC1 ZINC000778214652 893363047 /nfs/dbraw/zinc/36/30/47/893363047.db2.gz PDQGJBHMDUZPCU-DEOSSOPVSA-N 1 3 381.564 3.606 20 0 GHADHO CC1(C)OCC[C@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000556060395 893602967 /nfs/dbraw/zinc/60/29/67/893602967.db2.gz GNIDQQVSSXHUON-HSZRJFAPSA-N 1 3 379.548 3.666 20 0 GHADHO OC1CC[NH+](CCCNC/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459475732 893616748 /nfs/dbraw/zinc/61/67/48/893616748.db2.gz QITNLXDQFKUUMS-YWEYNIOJSA-N 1 3 380.532 3.715 20 0 GHADHO COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746201 893785593 /nfs/dbraw/zinc/78/55/93/893785593.db2.gz JFPBTZWEEKFXQW-UHFFFAOYSA-N 1 3 379.548 3.574 20 0 GHADHO C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746304 893785932 /nfs/dbraw/zinc/78/59/32/893785932.db2.gz LORLRLMSJRKHTD-ICFOKQHNSA-N 1 3 381.486 3.821 20 0 GHADHO COc1ccc(-c2nn(Cc3ccccc3)cc2CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000563626084 893987719 /nfs/dbraw/zinc/98/77/19/893987719.db2.gz WICVEZRKVPYFJC-ZWKOTPCHSA-N 1 3 378.520 3.822 20 0 GHADHO COc1ccc(-c2nn(Cc3ccccc3)cc2CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000563626072 893987849 /nfs/dbraw/zinc/98/78/49/893987849.db2.gz WICVEZRKVPYFJC-MSOLQXFVSA-N 1 3 378.520 3.822 20 0 GHADHO OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@@H]1c1ccccc1 ZINC000563654590 894029707 /nfs/dbraw/zinc/02/97/07/894029707.db2.gz FDYAQXYFPXFJQH-FXEFVXDJSA-N 1 3 376.544 3.653 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@H]4CCC5(CCOCC5)O4)CC[C@@H]32)cc1 ZINC000878196631 894083663 /nfs/dbraw/zinc/08/36/63/894083663.db2.gz HHPFNJDDUZGJSZ-ZLNRFVROSA-N 1 3 384.564 3.701 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@H]4CCC5(CCOCC5)O4)CC[C@@H]32)cc1 ZINC000878196631 894083680 /nfs/dbraw/zinc/08/36/80/894083680.db2.gz HHPFNJDDUZGJSZ-ZLNRFVROSA-N 1 3 384.564 3.701 20 0 GHADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1cccc2ccccc21 ZINC000563744112 894135513 /nfs/dbraw/zinc/13/55/13/894135513.db2.gz FMCFAQRRAKWPCT-QHCPKHFHSA-N 1 3 390.527 3.965 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3c2cccc3Br)C[C@@H](C)O1 ZINC000537016602 894195734 /nfs/dbraw/zinc/19/57/34/894195734.db2.gz PQQXCUFXLNMQGT-SPYBWZPUSA-N 1 3 381.358 3.915 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001135296573 894334349 /nfs/dbraw/zinc/33/43/49/894334349.db2.gz YAMYFUBBRKOREO-RBUKOAKNSA-N 1 3 377.598 3.758 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001135296573 894334364 /nfs/dbraw/zinc/33/43/64/894334364.db2.gz YAMYFUBBRKOREO-RBUKOAKNSA-N 1 3 377.598 3.758 20 0 GHADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000564060225 894534599 /nfs/dbraw/zinc/53/45/99/894534599.db2.gz KPMWCTNLPBXZQG-VJBWXMMDSA-N 1 3 386.580 3.708 20 0 GHADHO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000564150773 894651095 /nfs/dbraw/zinc/65/10/95/894651095.db2.gz RJRZYPSJVAQYJI-SFHLNBCPSA-N 1 3 399.579 3.648 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1c1ccccc1 ZINC000645454300 913907531 /nfs/dbraw/zinc/90/75/31/913907531.db2.gz YUJHNLPTCSFCML-SDHOMARFSA-N 1 3 393.575 3.703 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3cc(Cl)nc4ccccc34)CC2)CC1 ZINC000817286111 895437513 /nfs/dbraw/zinc/43/75/13/895437513.db2.gz RBWDZTWQMJJREV-UHFFFAOYSA-N 1 3 386.971 3.880 20 0 GHADHO Cc1nccnc1[C@@H](C)NCc1ccccc1C[NH2+][C@@H](C)c1nccnc1C ZINC000880108338 895520634 /nfs/dbraw/zinc/52/06/34/895520634.db2.gz UUJFOAOWJHGVSY-HDICACEKSA-N 1 3 376.508 3.585 20 0 GHADHO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1CN[C@@H](C)c1nccnc1C ZINC000880108338 895520646 /nfs/dbraw/zinc/52/06/46/895520646.db2.gz UUJFOAOWJHGVSY-HDICACEKSA-N 1 3 376.508 3.585 20 0 GHADHO CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1=O ZINC000817589406 895757951 /nfs/dbraw/zinc/75/79/51/895757951.db2.gz NIMWKMFXTCTIJR-RBUKOAKNSA-N 1 3 387.568 3.590 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000565676747 895800840 /nfs/dbraw/zinc/80/08/40/895800840.db2.gz DPEUSPIGVNWGCJ-YJBOKZPZSA-N 1 3 389.531 3.725 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818979724 896300366 /nfs/dbraw/zinc/30/03/66/896300366.db2.gz ACCKUKAXOCEBRM-SFHVURJKSA-N 1 3 387.337 3.506 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000566470199 896329979 /nfs/dbraw/zinc/32/99/79/896329979.db2.gz OZFPLEVGSJRNTO-UPVQGACJSA-N 1 3 397.607 3.883 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282842 896527103 /nfs/dbraw/zinc/52/71/03/896527103.db2.gz CDLPLJCUJVPBIA-ISKFKSNPSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282842 896527116 /nfs/dbraw/zinc/52/71/16/896527116.db2.gz CDLPLJCUJVPBIA-ISKFKSNPSA-N 1 3 382.548 3.545 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274875 896560478 /nfs/dbraw/zinc/56/04/78/896560478.db2.gz NHKVMTRYLVEHQT-YLJYHZDGSA-N 1 3 389.337 3.594 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274875 896560492 /nfs/dbraw/zinc/56/04/92/896560492.db2.gz NHKVMTRYLVEHQT-YLJYHZDGSA-N 1 3 389.337 3.594 20 0 GHADHO COC[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCCOC1 ZINC000883187691 897350007 /nfs/dbraw/zinc/35/00/07/897350007.db2.gz UAUFTEVUBXEDRV-TZIWHRDSSA-N 1 3 380.960 3.583 20 0 GHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H](C)Cc1ccsc1 ZINC000568208844 897674675 /nfs/dbraw/zinc/67/46/75/897674675.db2.gz GWBDLOOILYLWHO-GOSISDBHSA-N 1 3 391.625 3.724 20 0 GHADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000569673830 898873972 /nfs/dbraw/zinc/87/39/72/898873972.db2.gz SGQRKNDHGUHOPH-RPWUZVMVSA-N 1 3 396.579 3.575 20 0 GHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CCCC2)CC1 ZINC000569770061 898938989 /nfs/dbraw/zinc/93/89/89/898938989.db2.gz TZEWLNAIQWMVNV-FQEVSTJZSA-N 1 3 383.580 3.812 20 0 GHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823448034 899030748 /nfs/dbraw/zinc/03/07/48/899030748.db2.gz RQHLEGSRKIPRMA-HFMPRLQTSA-N 1 3 399.579 3.697 20 0 GHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823448034 899030769 /nfs/dbraw/zinc/03/07/69/899030769.db2.gz RQHLEGSRKIPRMA-HFMPRLQTSA-N 1 3 399.579 3.697 20 0 GHADHO CC[C@H](C)N(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000117041350 899346578 /nfs/dbraw/zinc/34/65/78/899346578.db2.gz OJRLHTAVGKPHER-IBGZPJMESA-N 1 3 386.584 3.555 20 0 GHADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761642 899567615 /nfs/dbraw/zinc/56/76/15/899567615.db2.gz CCSQZHLFJAFPAD-AEFFLSMTSA-N 1 3 378.442 3.807 20 0 GHADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761642 899567621 /nfs/dbraw/zinc/56/76/21/899567621.db2.gz CCSQZHLFJAFPAD-AEFFLSMTSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761642 899567628 /nfs/dbraw/zinc/56/76/28/899567628.db2.gz CCSQZHLFJAFPAD-AEFFLSMTSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761642 899567631 /nfs/dbraw/zinc/56/76/31/899567631.db2.gz CCSQZHLFJAFPAD-AEFFLSMTSA-N 1 3 378.442 3.807 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000824383935 899575754 /nfs/dbraw/zinc/57/57/54/899575754.db2.gz WNOHEVMEUMSUNC-RBUKOAKNSA-N 1 3 385.552 3.551 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000134653121 900101348 /nfs/dbraw/zinc/10/13/48/900101348.db2.gz BPAUFTNGKVLOQD-HNNXBMFYSA-N 1 3 378.561 3.653 20 0 GHADHO C[C@@H]1C[C@@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc21 ZINC000572519471 900213926 /nfs/dbraw/zinc/21/39/26/900213926.db2.gz FMIQRERTWCQBDD-HCLVMJGWSA-N 1 3 377.532 3.722 20 0 GHADHO C[C@@H]1C[C@@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc21 ZINC000572519471 900213932 /nfs/dbraw/zinc/21/39/32/900213932.db2.gz FMIQRERTWCQBDD-HCLVMJGWSA-N 1 3 377.532 3.722 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccsc1 ZINC000573153264 900398712 /nfs/dbraw/zinc/39/87/12/900398712.db2.gz AJBMWFYTSZGRCF-VQTJNVASSA-N 1 3 392.613 3.791 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)CC1 ZINC001143995750 900900700 /nfs/dbraw/zinc/90/07/00/900900700.db2.gz AOUWNHFEZFZGBH-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO OC1(c2cccnc2)CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886592030 901181905 /nfs/dbraw/zinc/18/19/05/901181905.db2.gz IRZJNVBYESKWIV-QCVQKGSRSA-N 1 3 391.559 3.855 20 0 GHADHO CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197075 901794385 /nfs/dbraw/zinc/79/43/85/901794385.db2.gz UGXOSUJWYUFZMJ-GMAHTHKFSA-N 1 3 389.547 3.966 20 0 GHADHO CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197075 901794399 /nfs/dbraw/zinc/79/43/99/901794399.db2.gz UGXOSUJWYUFZMJ-GMAHTHKFSA-N 1 3 389.547 3.966 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126768894 902366181 /nfs/dbraw/zinc/36/61/81/902366181.db2.gz VGSHSKWSPNVIDQ-JXFKEZNVSA-N 1 3 381.520 3.583 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126768894 902366190 /nfs/dbraw/zinc/36/61/90/902366190.db2.gz VGSHSKWSPNVIDQ-JXFKEZNVSA-N 1 3 381.520 3.583 20 0 GHADHO CC(C)[NH+]1CCC(NC[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000576979215 902404226 /nfs/dbraw/zinc/40/42/26/902404226.db2.gz DMCSNUQEOULRJQ-HSZRJFAPSA-N 1 3 382.548 3.616 20 0 GHADHO CC[NH+]1CCC(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC1 ZINC000779002575 902692738 /nfs/dbraw/zinc/69/27/38/902692738.db2.gz HPTWPZPPBGYFDT-NHCUHLMSSA-N 1 3 387.568 3.854 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)cc1N(C)C ZINC000132770340 903306808 /nfs/dbraw/zinc/30/68/08/903306808.db2.gz PEIAZTHMJHTJNP-KRWDZBQOSA-N 1 3 385.527 3.699 20 0 GHADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000601213864 903469719 /nfs/dbraw/zinc/46/97/19/903469719.db2.gz RLFJEGIBGVQHEL-RBUKOAKNSA-N 1 3 392.613 3.693 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)ccc3NC(C)C)CC2)CC1 ZINC000578141318 903553928 /nfs/dbraw/zinc/55/39/28/903553928.db2.gz GYBZICKUBOZOIY-UHFFFAOYSA-N 1 3 390.547 3.781 20 0 GHADHO COc1cccc([C@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000265266136 903764795 /nfs/dbraw/zinc/76/47/95/903764795.db2.gz ZYZRAUFRHUIMKL-RBUKOAKNSA-N 1 3 395.547 3.515 20 0 GHADHO CCOC[C@H]1CCCN(Cc2cncc(C[N@@H+]3CCC[C@H](COCC)C3)c2)C1 ZINC000579435950 904600708 /nfs/dbraw/zinc/60/07/08/904600708.db2.gz XCDADQZRJMHACS-SFTDATJTSA-N 1 3 389.584 3.579 20 0 GHADHO CCOC[C@H]1CCCN(Cc2cncc(C[N@H+]3CCC[C@H](COCC)C3)c2)C1 ZINC000579435950 904600720 /nfs/dbraw/zinc/60/07/20/904600720.db2.gz XCDADQZRJMHACS-SFTDATJTSA-N 1 3 389.584 3.579 20 0 GHADHO CC(C)c1nc(CNc2ccc(CC[NH+]3CCOCC3)cc2)c2ccccn21 ZINC000579481630 904639503 /nfs/dbraw/zinc/63/95/03/904639503.db2.gz NBEJXYVNAGGBTF-UHFFFAOYSA-N 1 3 378.520 3.945 20 0 GHADHO C[NH+](C)CC[C@@H](N[C@@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC001171866803 905114952 /nfs/dbraw/zinc/11/49/52/905114952.db2.gz OMODNCPYEIHBER-DHIUTWEWSA-N 1 3 379.548 3.964 20 0 GHADHO C[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001171962379 905169419 /nfs/dbraw/zinc/16/94/19/905169419.db2.gz CQDQXWKQPPJTAK-PKOBYXMFSA-N 1 3 375.557 3.932 20 0 GHADHO C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001171962379 905169428 /nfs/dbraw/zinc/16/94/28/905169428.db2.gz CQDQXWKQPPJTAK-PKOBYXMFSA-N 1 3 375.557 3.932 20 0 GHADHO CC[NH+](CC)CCCN1CCN([C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001171973771 905217713 /nfs/dbraw/zinc/21/77/13/905217713.db2.gz ORIGMVGAESVXHB-GOSISDBHSA-N 1 3 385.518 3.986 20 0 GHADHO CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CCN1Cc1ccccc1 ZINC001171974781 905221623 /nfs/dbraw/zinc/22/16/23/905221623.db2.gz AKWYJBSGPSHSLN-DNVJHFABSA-N 1 3 385.596 3.663 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCc1cnc(NC(=O)OC(C)(C)C)s1)C2 ZINC001172118608 905376950 /nfs/dbraw/zinc/37/69/50/905376950.db2.gz SCOQGAPSYIGDEZ-QKDCVEJESA-N 1 3 380.558 3.638 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCc1cnc(NC(=O)OC(C)(C)C)s1)C2 ZINC001172118608 905376974 /nfs/dbraw/zinc/37/69/74/905376974.db2.gz SCOQGAPSYIGDEZ-QKDCVEJESA-N 1 3 380.558 3.638 20 0 GHADHO CC(C)OCC[C@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172451141 905567709 /nfs/dbraw/zinc/56/77/09/905567709.db2.gz GQCMBKIDVSBCCT-WWPVKYPJSA-N 1 3 378.601 3.651 20 0 GHADHO CC(C)OCC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172451141 905567713 /nfs/dbraw/zinc/56/77/13/905567713.db2.gz GQCMBKIDVSBCCT-WWPVKYPJSA-N 1 3 378.601 3.651 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826510 905855795 /nfs/dbraw/zinc/85/57/95/905855795.db2.gz CITVDYVKAMKIDW-NFBKMPQASA-N 1 3 384.564 3.592 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826510 905855807 /nfs/dbraw/zinc/85/58/07/905855807.db2.gz CITVDYVKAMKIDW-NFBKMPQASA-N 1 3 384.564 3.592 20 0 GHADHO C[N@H+](Cc1ccc(F)cc1)C1CCN(C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173675560 906614522 /nfs/dbraw/zinc/61/45/22/906614522.db2.gz ZMESDPQGERWRGV-UHFFFAOYSA-N 1 3 387.465 3.749 20 0 GHADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN(C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173675560 906614532 /nfs/dbraw/zinc/61/45/32/906614532.db2.gz ZMESDPQGERWRGV-UHFFFAOYSA-N 1 3 387.465 3.749 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000299263428 921273109 /nfs/dbraw/zinc/27/31/09/921273109.db2.gz KKKJDKOAQLLKKR-CRAIPNDOSA-N 1 3 399.938 3.534 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000299263428 921273116 /nfs/dbraw/zinc/27/31/16/921273116.db2.gz KKKJDKOAQLLKKR-CRAIPNDOSA-N 1 3 399.938 3.534 20 0 GHADHO C[C@@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000631769514 907838141 /nfs/dbraw/zinc/83/81/41/907838141.db2.gz SKEFZDJBCBZQLQ-LVCYWYKZSA-N 1 3 392.609 3.826 20 0 GHADHO OC1CC[NH+](Cc2ccc(CNCc3ccc(OCC4CC4)cc3)cc2)CC1 ZINC000190967899 908551414 /nfs/dbraw/zinc/55/14/14/908551414.db2.gz YPPTZWFHMYDWQF-UHFFFAOYSA-N 1 3 380.532 3.722 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@]3(C)C3CCCCC3)CC2)CC1 ZINC000636383915 909566534 /nfs/dbraw/zinc/56/65/34/909566534.db2.gz BAPVDSUISWPLBF-HSZRJFAPSA-N 1 3 375.601 3.754 20 0 GHADHO CC(C)[NH+]1CCN(C2CCN(Cc3ccc4ccc(F)c(F)c4n3)CC2)CC1 ZINC000638151288 910069538 /nfs/dbraw/zinc/06/95/38/910069538.db2.gz BRHUJHKUHKNOAK-UHFFFAOYSA-N 1 3 388.506 3.503 20 0 GHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(OC)c(OC)c1 ZINC000271544200 910951263 /nfs/dbraw/zinc/95/12/63/910951263.db2.gz TVKDLJFYKBTXTR-XUVXKRRUSA-N 1 3 376.541 3.512 20 0 GHADHO CCN1CCCC[C@@H]1C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001181995112 911116849 /nfs/dbraw/zinc/11/68/49/911116849.db2.gz NQUSRIOBLXMHRI-JOCHJYFZSA-N 1 3 383.580 3.766 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)N(C)C)cc1 ZINC001182482566 911833627 /nfs/dbraw/zinc/83/36/27/911833627.db2.gz RCOGRVYXUYTQIB-DHIUTWEWSA-N 1 3 379.548 3.837 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)N(C)C)cc1 ZINC001182482566 911833636 /nfs/dbraw/zinc/83/36/36/911833636.db2.gz RCOGRVYXUYTQIB-DHIUTWEWSA-N 1 3 379.548 3.837 20 0 GHADHO C[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000284421566 911859421 /nfs/dbraw/zinc/85/94/21/911859421.db2.gz RHACTJUDPGBYHG-CRYYWNKWSA-N 1 3 386.561 3.748 20 0 GHADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)o1 ZINC000647179216 915073868 /nfs/dbraw/zinc/07/38/68/915073868.db2.gz ILQGRRGELMVESP-HXUWFJFHSA-N 1 3 378.520 3.643 20 0 GHADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)o1 ZINC000647179215 915074240 /nfs/dbraw/zinc/07/42/40/915074240.db2.gz ILQGRRGELMVESP-FQEVSTJZSA-N 1 3 378.520 3.643 20 0 GHADHO C[NH+](C)CCCOc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000649704758 916344113 /nfs/dbraw/zinc/34/41/13/916344113.db2.gz VVFLEUNWHJNPPP-IRXDYDNUSA-N 1 3 388.430 3.703 20 0 GHADHO CC[NH+](CC)CCOCCN[C@H]1CCCOc2c(Br)cccc21 ZINC000544574002 916849226 /nfs/dbraw/zinc/84/92/26/916849226.db2.gz GAGRAMUKQLXBIB-KRWDZBQOSA-N 1 3 385.346 3.611 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)CCC(=O)N2C ZINC000775309833 916896194 /nfs/dbraw/zinc/89/61/94/916896194.db2.gz GIYWADXYMABCEJ-AVRDEDQJSA-N 1 3 377.532 3.596 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)CCC(=O)N2C ZINC000775309833 916896210 /nfs/dbraw/zinc/89/62/10/916896210.db2.gz GIYWADXYMABCEJ-AVRDEDQJSA-N 1 3 377.532 3.596 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCc1ccc(C[NH3+])cc1F ZINC000650717736 917246852 /nfs/dbraw/zinc/24/68/52/917246852.db2.gz KSFKDBVGHXMTET-LBPRGKRZSA-N 1 3 394.288 3.554 20 0 GHADHO CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCc2ccccc2C1 ZINC001190510301 917374024 /nfs/dbraw/zinc/37/40/24/917374024.db2.gz LTNSUNZSZUOXCO-BJKOFHAPSA-N 1 3 393.575 3.675 20 0 GHADHO CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCc2ccccc2C1 ZINC001190510301 917374043 /nfs/dbraw/zinc/37/40/43/917374043.db2.gz LTNSUNZSZUOXCO-BJKOFHAPSA-N 1 3 393.575 3.675 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)ccc1OC ZINC000775395172 917383664 /nfs/dbraw/zinc/38/36/64/917383664.db2.gz SFRKVGQCMMODLC-GOSISDBHSA-N 1 3 382.548 3.718 20 0 GHADHO C[C@@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H]1CCN ZINC000652353840 917879122 /nfs/dbraw/zinc/87/91/22/917879122.db2.gz FJWMQDWNRHNVNN-ZWCUEREDSA-N 1 3 385.577 3.793 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H]1CCN ZINC000652353840 917879125 /nfs/dbraw/zinc/87/91/25/917879125.db2.gz FJWMQDWNRHNVNN-ZWCUEREDSA-N 1 3 385.577 3.793 20 0 GHADHO C[C@@H]1CCCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H]1CC[NH3+] ZINC000652353840 917879135 /nfs/dbraw/zinc/87/91/35/917879135.db2.gz FJWMQDWNRHNVNN-ZWCUEREDSA-N 1 3 385.577 3.793 20 0 GHADHO COC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(CN3CCC[C@H](COC)C3)c2)C1 ZINC000297409730 919303621 /nfs/dbraw/zinc/30/36/21/919303621.db2.gz GHBLMTCWZOFFOI-UXHICEINSA-N 1 3 378.532 3.543 20 0 GHADHO COC[C@@H]1CCC[N@H+](Cc2ccc(F)c(CN3CCC[C@H](COC)C3)c2)C1 ZINC000297409730 919303640 /nfs/dbraw/zinc/30/36/40/919303640.db2.gz GHBLMTCWZOFFOI-UXHICEINSA-N 1 3 378.532 3.543 20 0 GHADHO CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000381997678 919717845 /nfs/dbraw/zinc/71/78/45/919717845.db2.gz QGRJBOLRONZFHB-HXUWFJFHSA-N 1 3 375.557 3.793 20 0 GHADHO CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000381997676 919718000 /nfs/dbraw/zinc/71/80/00/919718000.db2.gz QGRJBOLRONZFHB-FQEVSTJZSA-N 1 3 375.557 3.793 20 0 GHADHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000902500725 922241783 /nfs/dbraw/zinc/24/17/83/922241783.db2.gz HAWWTZGFOCNXIY-MIZPHKNDSA-N 1 3 380.488 3.770 20 0 GHADHO COCc1cc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000902504624 922244596 /nfs/dbraw/zinc/24/45/96/922244596.db2.gz PDOSVAKWLXPOOT-GRWTVWFQSA-N 1 3 382.504 3.748 20 0 GHADHO c1ccc(CC[C@@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000902808240 922510047 /nfs/dbraw/zinc/51/00/47/922510047.db2.gz GKNXJENQSLFKSK-XUZZJYLKSA-N 1 3 379.548 3.846 20 0 GHADHO c1nnc([C@@H](N[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455221 923036689 /nfs/dbraw/zinc/03/66/89/923036689.db2.gz JTNNUOKDSZRUHR-BJESRGMDSA-N 1 3 387.531 3.784 20 0 GHADHO c1nnc([C@@H](N[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455221 923036709 /nfs/dbraw/zinc/03/67/09/923036709.db2.gz JTNNUOKDSZRUHR-BJESRGMDSA-N 1 3 387.531 3.784 20 0 GHADHO COc1ccc2cc(C[NH+]3CCC(N4CCN(C(C)C)CC4)CC3)ccc2c1 ZINC000370338325 924046228 /nfs/dbraw/zinc/04/62/28/924046228.db2.gz AOZJLVMQWNJLCM-UHFFFAOYSA-N 1 3 381.564 3.839 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(c3ccccn3)CC2)CC1 ZINC000678213014 924667077 /nfs/dbraw/zinc/66/70/77/924667077.db2.gz RWZDPGRPQVPVOB-UHFFFAOYSA-N 1 3 378.564 3.993 20 0 GHADHO C[C@@H](CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678638841 924859752 /nfs/dbraw/zinc/85/97/52/924859752.db2.gz YHHVAEOPNBOHGT-RMRNXIRCSA-N 1 3 392.628 3.900 20 0 GHADHO C[C@@H](CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678638841 924859756 /nfs/dbraw/zinc/85/97/56/924859756.db2.gz YHHVAEOPNBOHGT-RMRNXIRCSA-N 1 3 392.628 3.900 20 0 GHADHO C[C@H](CN1CCC[C@H](C[C@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638841 924859764 /nfs/dbraw/zinc/85/97/64/924859764.db2.gz YHHVAEOPNBOHGT-RMRNXIRCSA-N 1 3 392.628 3.900 20 0 GHADHO C[C@H](CN1CCC[C@H](C[C@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638841 924859778 /nfs/dbraw/zinc/85/97/78/924859778.db2.gz YHHVAEOPNBOHGT-RMRNXIRCSA-N 1 3 392.628 3.900 20 0 GHADHO c1ccc2c(c1)CO[C@]21CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681167196 925746779 /nfs/dbraw/zinc/74/67/79/925746779.db2.gz OBJMDEVIEMMYRO-DEOSSOPVSA-N 1 3 378.516 3.793 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000411449187 926404448 /nfs/dbraw/zinc/40/44/48/926404448.db2.gz FKSNDJRCOFMFKR-IBGZPJMESA-N 1 3 385.474 3.593 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000726241358 926606566 /nfs/dbraw/zinc/60/65/66/926606566.db2.gz FLDQCDXHNTWUNR-RXVVDRJESA-N 1 3 392.632 3.697 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(Cc4ccccc4)c3)CC2)CC1 ZINC000411766343 926734691 /nfs/dbraw/zinc/73/46/91/926734691.db2.gz JLDNKRQFZFVVEU-UHFFFAOYSA-N 1 3 391.559 3.566 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)ccc1OC ZINC000374989724 927782829 /nfs/dbraw/zinc/78/28/29/927782829.db2.gz KRIYLBKCQXYNJQ-UCNVEGJOSA-N 1 3 376.541 3.526 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751069704 928011295 /nfs/dbraw/zinc/01/12/95/928011295.db2.gz HUDDZKIJYNTOLB-XPPIMPSXSA-N 1 3 398.595 3.920 20 0 GHADHO O[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Br ZINC000751562947 928251450 /nfs/dbraw/zinc/25/14/50/928251450.db2.gz DYVLNTXZRVWGGW-FQEVSTJZSA-N 1 3 389.337 3.737 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CN1Cc1ccccc1 ZINC000467689360 929305370 /nfs/dbraw/zinc/30/53/70/929305370.db2.gz TWAGICHAQFHWII-AUSIDOKSSA-N 1 3 377.532 3.675 20 0 GHADHO CN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470746330 930878422 /nfs/dbraw/zinc/87/84/22/930878422.db2.gz NOHFOCDYNVQQRR-OAQYLSRUSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000187284731 931379965 /nfs/dbraw/zinc/37/99/65/931379965.db2.gz PFBZOHAJHNWQSW-AVRDEDQJSA-N 1 3 377.532 3.738 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000187284731 931379975 /nfs/dbraw/zinc/37/99/75/931379975.db2.gz PFBZOHAJHNWQSW-AVRDEDQJSA-N 1 3 377.532 3.738 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925041247 931621752 /nfs/dbraw/zinc/62/17/52/931621752.db2.gz JMDJESLTNJRCFM-JSGCOSHPSA-N 1 3 390.881 3.573 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925041247 931621759 /nfs/dbraw/zinc/62/17/59/931621759.db2.gz JMDJESLTNJRCFM-JSGCOSHPSA-N 1 3 390.881 3.573 20 0 GHADHO CN(C)C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000558798840 932240594 /nfs/dbraw/zinc/24/05/94/932240594.db2.gz MJFTXSUBORQLNY-FQEVSTJZSA-N 1 3 388.943 3.869 20 0 GHADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H]3CCCc4c(Cl)ccnc43)C2)[C@@H]1C(C)C ZINC000926880854 932335203 /nfs/dbraw/zinc/33/52/03/932335203.db2.gz QFYZYLDOCGXAGH-QEUPLWARSA-N 1 3 377.960 3.572 20 0 GHADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H]3CCCc4c(Cl)ccnc43)C2)[C@@H]1C(C)C ZINC000926880854 932335206 /nfs/dbraw/zinc/33/52/06/932335206.db2.gz QFYZYLDOCGXAGH-QEUPLWARSA-N 1 3 377.960 3.572 20 0 GHADHO Cc1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc(Cl)n1 ZINC000797595924 932338780 /nfs/dbraw/zinc/33/87/80/932338780.db2.gz IXABJDMGORJUHC-UHFFFAOYSA-N 1 3 386.971 3.731 20 0 GHADHO CCCC[C@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395841 932628257 /nfs/dbraw/zinc/62/82/57/932628257.db2.gz KSHUVVGXMWZESB-REWPJTCUSA-N 1 3 398.551 3.982 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176837 932898059 /nfs/dbraw/zinc/89/80/59/932898059.db2.gz CZPMGUMUDHRREY-FQEVSTJZSA-N 1 3 398.595 3.812 20 0 GHADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178077 932899374 /nfs/dbraw/zinc/89/93/74/932899374.db2.gz KCWPAAZFQXVIMF-UHFFFAOYSA-N 1 3 398.378 3.760 20 0 GHADHO C[C@@H](NC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799177378 932899478 /nfs/dbraw/zinc/89/94/78/932899478.db2.gz NBQMDXACAWEMTJ-IAGOWNOFSA-N 1 3 377.960 3.714 20 0 GHADHO C[C@@H](NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC000799178673 932900644 /nfs/dbraw/zinc/90/06/44/932900644.db2.gz CEVNFHJDZARFND-LJQANCHMSA-N 1 3 383.580 3.550 20 0 GHADHO C[NH+](C)CCOC1CCN(Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000560532748 933317380 /nfs/dbraw/zinc/31/73/80/933317380.db2.gz KJWWKUSOFMRJTO-UHFFFAOYSA-N 1 3 384.568 3.712 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(C[C@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000561963431 934590246 /nfs/dbraw/zinc/59/02/46/934590246.db2.gz NPCZMVZQVSWDCR-DSITVLBTSA-N 1 3 375.560 3.682 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(C[C@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000561963431 934590249 /nfs/dbraw/zinc/59/02/49/934590249.db2.gz NPCZMVZQVSWDCR-DSITVLBTSA-N 1 3 375.560 3.682 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001122211282 934843894 /nfs/dbraw/zinc/84/38/94/934843894.db2.gz TURBQYWJHNLABJ-QGZVFWFLSA-N 1 3 383.536 3.736 20 0 GHADHO Brc1cnccc1CN1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001137695978 935726670 /nfs/dbraw/zinc/72/66/70/935726670.db2.gz RHYYMDHRHBDXAY-UHFFFAOYSA-N 1 3 386.337 3.942 20 0 GHADHO Cc1ccc(C[NH+]2CCC(N3CCC(C(=O)N(C)C)CC3)CC2)c2ccccc12 ZINC001138015423 935929026 /nfs/dbraw/zinc/92/90/26/935929026.db2.gz FLCDIDMQQJYRNN-UHFFFAOYSA-N 1 3 393.575 3.913 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H]1COCc2ccccc21 ZINC001227160932 1032300390 /nfs/dbraw/zinc/30/03/90/1032300390.db2.gz OVURFBHTQHTBMZ-QHCPKHFHSA-N 1 3 397.563 3.522 20 0 GHADHO Cc1ccc2c(c1)[C@@H](Nc1cc(N3CCCC3)nc(C)n1)CC21CC[NH2+]CC1 ZINC001155431094 1032539479 /nfs/dbraw/zinc/53/94/79/1032539479.db2.gz PIVLFGOIBKAFIJ-FQEVSTJZSA-N 1 3 377.536 3.872 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC001204263454 1032706483 /nfs/dbraw/zinc/70/64/83/1032706483.db2.gz LWUBGCWYZKCASR-UHFFFAOYSA-N 1 3 393.531 3.503 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000564017749 1018995245 /nfs/dbraw/zinc/99/52/45/1018995245.db2.gz SPOSRFOPKBZUKN-VXKWHMMOSA-N 1 3 387.568 3.600 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000564017749 1018995250 /nfs/dbraw/zinc/99/52/50/1018995250.db2.gz SPOSRFOPKBZUKN-VXKWHMMOSA-N 1 3 387.568 3.600 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000564858225 1019119705 /nfs/dbraw/zinc/11/97/05/1019119705.db2.gz ASQVIFDJBIACLS-MHXNYCPLSA-N 1 3 394.559 3.677 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000564858225 1019119714 /nfs/dbraw/zinc/11/97/14/1019119714.db2.gz ASQVIFDJBIACLS-MHXNYCPLSA-N 1 3 394.559 3.677 20 0 GHADHO [NH3+]C[C@@H]1CN(Cc2cccc(OCc3ccccc3F)c2)CC12CCOCC2 ZINC000564971041 1019132374 /nfs/dbraw/zinc/13/23/74/1019132374.db2.gz SBORPKVIFOIJIO-HXUWFJFHSA-N 1 3 384.495 3.592 20 0 GHADHO OC[C@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000578102301 1020327520 /nfs/dbraw/zinc/32/75/20/1020327520.db2.gz CBWDPWPSZNXPRN-NHTNDUFYSA-N 1 3 376.544 3.938 20 0 GHADHO OC[C@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000578102301 1020327529 /nfs/dbraw/zinc/32/75/29/1020327529.db2.gz CBWDPWPSZNXPRN-NHTNDUFYSA-N 1 3 376.544 3.938 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000579593380 1020426687 /nfs/dbraw/zinc/42/66/87/1020426687.db2.gz GDRZCJMPJNFDQU-WAOWUJCRSA-N 1 3 379.548 3.727 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000834578349 1021278678 /nfs/dbraw/zinc/27/86/78/1021278678.db2.gz MBWJIQOTIAAGIK-UARRHKHWSA-N 1 3 380.532 3.761 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000834578349 1021278691 /nfs/dbraw/zinc/27/86/91/1021278691.db2.gz MBWJIQOTIAAGIK-UARRHKHWSA-N 1 3 380.532 3.761 20 0 GHADHO c1csc([C@H](N[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455017 1021603161 /nfs/dbraw/zinc/60/31/61/1021603161.db2.gz HBZFRXMDJGFMAK-JTJHWIPRSA-N 1 3 393.560 3.846 20 0 GHADHO c1csc([C@H](N[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455017 1021603205 /nfs/dbraw/zinc/60/32/05/1021603205.db2.gz HBZFRXMDJGFMAK-JTJHWIPRSA-N 1 3 393.560 3.846 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000834892346 1021632032 /nfs/dbraw/zinc/63/20/32/1021632032.db2.gz LWXPGVUGEDVVIM-KXEVLKFVSA-N 1 3 387.568 3.726 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834892346 1021632043 /nfs/dbraw/zinc/63/20/43/1021632043.db2.gz LWXPGVUGEDVVIM-KXEVLKFVSA-N 1 3 387.568 3.726 20 0 GHADHO CN1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000677583217 1021851981 /nfs/dbraw/zinc/85/19/81/1021851981.db2.gz ANKFMCCQMSZARV-GOTSBHOMSA-N 1 3 398.595 3.729 20 0 GHADHO c1cn(-c2ccc(CN3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc2)nn1 ZINC001137368331 1021977375 /nfs/dbraw/zinc/97/73/75/1021977375.db2.gz NLJHNULFWNHVQR-XWVZOOPGSA-N 1 3 389.547 3.662 20 0 GHADHO c1cn(-c2ccc(CN3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc2)nn1 ZINC001137368331 1021977378 /nfs/dbraw/zinc/97/73/78/1021977378.db2.gz NLJHNULFWNHVQR-XWVZOOPGSA-N 1 3 389.547 3.662 20 0 GHADHO Brc1ccc([C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)[C@H]2CCCO2)cc1 ZINC000679331700 1021988202 /nfs/dbraw/zinc/98/82/02/1021988202.db2.gz MVRZKJSOQVUXOB-ZMYBRWDISA-N 1 3 379.342 3.743 20 0 GHADHO Cc1ccc(I)c(CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204747937 1033063380 /nfs/dbraw/zinc/06/33/80/1033063380.db2.gz AZNIVALGPQHALZ-UHFFFAOYSA-N 1 3 384.305 3.565 20 0 GHADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000756643105 1023750228 /nfs/dbraw/zinc/75/02/28/1023750228.db2.gz RENSXGPHIKDRLG-XEVCZEQESA-N 1 3 378.582 3.544 20 0 GHADHO CCC(=O)Oc1ccc(C[NH+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@@H]3C2)cc1 ZINC001138960605 1025660052 /nfs/dbraw/zinc/66/00/52/1025660052.db2.gz QZLMJWHPMZDSSM-FGZHOGPDSA-N 1 3 378.516 3.874 20 0 GHADHO Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCN(C)CC3)cc1)CC21CC[NH2+]CC1 ZINC001163034890 1026017716 /nfs/dbraw/zinc/01/77/16/1026017716.db2.gz XIZVCSXRFDWJNB-XMMPIXPASA-N 1 3 390.575 3.925 20 0 GHADHO CCn1cc(CNCc2ccc(OCC[NH+](C)C)cc2)c(-c2ccccc2)n1 ZINC001461067454 1069373714 /nfs/dbraw/zinc/37/37/14/1069373714.db2.gz GMJPHYOVBAPCLG-UHFFFAOYSA-N 1 3 378.520 3.800 20 0 GHADHO Cn1c(=O)cc(C[NH+]2CCC(N3CCc4ccccc4C3)CC2)c2ccccc21 ZINC001139759755 1026596664 /nfs/dbraw/zinc/59/66/64/1026596664.db2.gz XGVXTWXCEHHMTG-UHFFFAOYSA-N 1 3 387.527 3.561 20 0 GHADHO O=C(c1ccc(NC=CC2CC[NH2+]CC2)cc1)N1CCN(C2CCCCC2)CC1 ZINC001165213224 1026669102 /nfs/dbraw/zinc/66/91/02/1026669102.db2.gz WDAIADFXLJGHFL-QINSGFPZSA-N 1 3 396.579 3.702 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+]Cc3cccc(-c4cccnc4)c3)c2)CC1 ZINC001461149789 1069414380 /nfs/dbraw/zinc/41/43/80/1069414380.db2.gz OGSWDZLTDHIZSD-UHFFFAOYSA-N 1 3 386.543 3.786 20 0 GHADHO CC[NH+]1CCC(CNCc2cc(OC(F)F)ccc2Br)CC1 ZINC001461171816 1069425577 /nfs/dbraw/zinc/42/55/77/1069425577.db2.gz ZTKZOKAEWRBOLQ-UHFFFAOYSA-N 1 3 377.273 3.872 20 0 GHADHO O=c1[nH]c2cc(F)ccc2cc1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001461196114 1069435977 /nfs/dbraw/zinc/43/59/77/1069435977.db2.gz PPQXIKHPRDYHDC-UHFFFAOYSA-N 1 3 395.478 3.844 20 0 GHADHO CC(C)[NH+]1CCC(CCNCc2cn3ccc(Br)cc3n2)CC1 ZINC001203282721 1027260493 /nfs/dbraw/zinc/26/04/93/1027260493.db2.gz JHJNJZLYMSFOFQ-UHFFFAOYSA-N 1 3 379.346 3.697 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccccc1F)CC2 ZINC001203347860 1027286135 /nfs/dbraw/zinc/28/61/35/1027286135.db2.gz HPOYFXFWAIQCPV-OAQYLSRUSA-N 1 3 383.511 3.724 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccccc1F)CC2 ZINC001203347860 1027286152 /nfs/dbraw/zinc/28/61/52/1027286152.db2.gz HPOYFXFWAIQCPV-OAQYLSRUSA-N 1 3 383.511 3.724 20 0 GHADHO c1ccc(CN2Cc3ccc(Nc4ccnc(N5CC[NH2+]CC5)c4)cc3C2)cc1 ZINC001210266599 1027413928 /nfs/dbraw/zinc/41/39/28/1027413928.db2.gz LMTMYRVIZJHWBB-UHFFFAOYSA-N 1 3 385.515 3.751 20 0 GHADHO CC(C)OCC[NH+]1CCC(NCc2cccc(OCc3ccccn3)c2)CC1 ZINC001461273461 1069474323 /nfs/dbraw/zinc/47/43/23/1069474323.db2.gz FCKKAMSBRAEAQR-UHFFFAOYSA-N 1 3 383.536 3.640 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1CN1CCCCC1 ZINC000840887738 1027923365 /nfs/dbraw/zinc/92/33/65/1027923365.db2.gz OBNNQQRRAZSXHQ-CVAIRZPRSA-N 1 3 382.495 3.880 20 0 GHADHO C[C@@](O)(CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679368 1029483997 /nfs/dbraw/zinc/48/39/97/1029483997.db2.gz LYRJAVXREZZHOI-SIKLNZKXSA-N 1 3 386.486 3.959 20 0 GHADHO C[C@@](O)(CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679368 1029484014 /nfs/dbraw/zinc/48/40/14/1029484014.db2.gz LYRJAVXREZZHOI-SIKLNZKXSA-N 1 3 386.486 3.959 20 0 GHADHO Cn1c2ccc(F)cc2nc1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842683309 1029489615 /nfs/dbraw/zinc/48/96/15/1029489615.db2.gz JXDBSUKDFAYESR-IBGZPJMESA-N 1 3 378.495 3.999 20 0 GHADHO CC(C)n1ncc2cc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c(Cl)nc21 ZINC000843127720 1029817583 /nfs/dbraw/zinc/81/75/83/1029817583.db2.gz SRICXXKDIRQISX-HZPDHXFCSA-N 1 3 375.948 3.877 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC001221946497 1029902340 /nfs/dbraw/zinc/90/23/40/1029902340.db2.gz WLSBTWXEGVLFQY-GIYDNNGJSA-N 1 3 394.991 3.608 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC001221946497 1029902344 /nfs/dbraw/zinc/90/23/44/1029902344.db2.gz WLSBTWXEGVLFQY-GIYDNNGJSA-N 1 3 394.991 3.608 20 0 GHADHO COC(=O)CCc1c(C)[nH]c(CN2CCCC3(CCCC[NH2+]C3)CCC2)c1C ZINC001222109703 1029967384 /nfs/dbraw/zinc/96/73/84/1029967384.db2.gz NTLBARYUJRNUAN-UHFFFAOYSA-N 1 3 389.584 3.873 20 0 GHADHO CC[C@H](C)[C@@H]([NH3+])CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001218845538 1031110280 /nfs/dbraw/zinc/11/02/80/1031110280.db2.gz KMCMIVMWHIAROL-CVDCTZTESA-N 1 3 394.563 3.711 20 0 GHADHO CC(C)(C)N1CC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001225131224 1031272856 /nfs/dbraw/zinc/27/28/56/1031272856.db2.gz ROCKYNFDHVWJNE-NRFANRHFSA-N 1 3 386.584 3.735 20 0 GHADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 ZINC001219162325 1031281291 /nfs/dbraw/zinc/28/12/91/1031281291.db2.gz ZLKQXIYBPSQYOS-HSZRJFAPSA-N 1 3 389.499 3.937 20 0 GHADHO N[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001219941417 1031707971 /nfs/dbraw/zinc/70/79/71/1031707971.db2.gz XSVXHMXKNMPALJ-IBAPCRFNSA-N 1 3 395.591 3.559 20 0 GHADHO N[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001219941417 1031707979 /nfs/dbraw/zinc/70/79/79/1031707979.db2.gz XSVXHMXKNMPALJ-IBAPCRFNSA-N 1 3 395.591 3.559 20 0 GHADHO [NH3+]C[C@@]1(F)CCCN(Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC1 ZINC001205592714 1033484379 /nfs/dbraw/zinc/48/43/79/1033484379.db2.gz XITMMHXZEDNFBP-JOCHJYFZSA-N 1 3 386.467 3.647 20 0 GHADHO COC[C@@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC001205866865 1033613059 /nfs/dbraw/zinc/61/30/59/1033613059.db2.gz GNCIXQGDADGXAN-KMFTYDHNSA-N 1 3 380.960 3.693 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001229931906 1033799089 /nfs/dbraw/zinc/79/90/89/1033799089.db2.gz XFWYHLDVFUWMHK-HQRMLTQVSA-N 1 3 394.991 3.547 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001229931906 1033799106 /nfs/dbraw/zinc/79/91/06/1033799106.db2.gz XFWYHLDVFUWMHK-HQRMLTQVSA-N 1 3 394.991 3.547 20 0 GHADHO CCOc1cc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1OC(=O)C(C)C ZINC001206589557 1033917772 /nfs/dbraw/zinc/91/77/72/1033917772.db2.gz IAHVHOQFYBYSQH-LJQANCHMSA-N 1 3 376.541 3.999 20 0 GHADHO CCC[NH+](CCC)CCCN1CCN(CCCc2cccc(OC)c2)CC1 ZINC001207572666 1034457069 /nfs/dbraw/zinc/45/70/69/1034457069.db2.gz BAENEKQEYJUVLE-UHFFFAOYSA-N 1 3 375.601 3.758 20 0 GHADHO CN(C)C(=O)C1CCN(C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)CC1 ZINC001207598947 1034476466 /nfs/dbraw/zinc/47/64/66/1034476466.db2.gz RBVCMCRYSHXRMW-UHFFFAOYSA-N 1 3 391.987 3.537 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)c2cccc(CC[NH+](C)C)c2)N(C)C)cc1 ZINC001159269471 1034514528 /nfs/dbraw/zinc/51/45/28/1034514528.db2.gz YDNMLBVJDQYCCI-OAQYLSRUSA-N 1 3 385.577 3.545 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770289 1034567625 /nfs/dbraw/zinc/56/76/25/1034567625.db2.gz SZBGTKNLIQWLCG-FGZHOGPDSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CC[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770289 1034567631 /nfs/dbraw/zinc/56/76/31/1034567631.db2.gz SZBGTKNLIQWLCG-FGZHOGPDSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CCN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770289 1034567646 /nfs/dbraw/zinc/56/76/46/1034567646.db2.gz SZBGTKNLIQWLCG-FGZHOGPDSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CCN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770289 1034567656 /nfs/dbraw/zinc/56/76/56/1034567656.db2.gz SZBGTKNLIQWLCG-FGZHOGPDSA-N 1 3 399.579 3.697 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC001207858336 1034625851 /nfs/dbraw/zinc/62/58/51/1034625851.db2.gz LSRWIBJTPAEVPN-GJZGRUSLSA-N 1 3 384.362 3.876 20 0 GHADHO Cc1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC2)cnc1F ZINC001231925396 1034994161 /nfs/dbraw/zinc/99/41/61/1034994161.db2.gz SZIDRFHUUKRZCO-SFHVURJKSA-N 1 3 389.540 3.846 20 0 GHADHO Cc1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)cnc1F ZINC001231925396 1034994166 /nfs/dbraw/zinc/99/41/66/1034994166.db2.gz SZIDRFHUUKRZCO-SFHVURJKSA-N 1 3 389.540 3.846 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001160663675 1035028264 /nfs/dbraw/zinc/02/82/64/1035028264.db2.gz HYHMMGRFCDQCRN-AEFFLSMTSA-N 1 3 385.474 3.517 20 0 GHADHO CC(C)(C)OC(=O)c1ccc(CN2CCC(C[N@@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC001208815228 1035036376 /nfs/dbraw/zinc/03/63/76/1035036376.db2.gz LHAQFRFFYDXYIH-HXUWFJFHSA-N 1 3 376.516 3.898 20 0 GHADHO CC(C)(C)OC(=O)c1ccc(CN2CCC(C[N@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC001208815228 1035036381 /nfs/dbraw/zinc/03/63/81/1035036381.db2.gz LHAQFRFFYDXYIH-HXUWFJFHSA-N 1 3 376.516 3.898 20 0 GHADHO COC[C@H]1CC[N@@H+]1CC1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208819484 1035038450 /nfs/dbraw/zinc/03/84/50/1035038450.db2.gz GUGYZEKZEAELKZ-OAQYLSRUSA-N 1 3 388.552 3.575 20 0 GHADHO COC[C@H]1CC[N@H+]1CC1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208819484 1035038457 /nfs/dbraw/zinc/03/84/57/1035038457.db2.gz GUGYZEKZEAELKZ-OAQYLSRUSA-N 1 3 388.552 3.575 20 0 GHADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208941777 1035111780 /nfs/dbraw/zinc/11/17/80/1035111780.db2.gz NAZMSMZXYBLCDH-TZIWHRDSSA-N 1 3 387.568 3.697 20 0 GHADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208941777 1035111791 /nfs/dbraw/zinc/11/17/91/1035111791.db2.gz NAZMSMZXYBLCDH-TZIWHRDSSA-N 1 3 387.568 3.697 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC001208945349 1035114761 /nfs/dbraw/zinc/11/47/61/1035114761.db2.gz NAZJMSKGTPRQSC-QTJGBDASSA-N 1 3 379.548 3.759 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC001208945349 1035114767 /nfs/dbraw/zinc/11/47/67/1035114767.db2.gz NAZJMSKGTPRQSC-QTJGBDASSA-N 1 3 379.548 3.759 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CCC3(CC2)c2cccc(F)c2NC3=O)c1 ZINC001232145841 1035123789 /nfs/dbraw/zinc/12/37/89/1035123789.db2.gz BTZMEXXIUARGHV-UHFFFAOYSA-N 1 3 385.458 3.512 20 0 GHADHO c1csc(CN2CC[C@H]3CN(C[C@H]4CC[N@H+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953145 1035125768 /nfs/dbraw/zinc/12/57/68/1035125768.db2.gz YSIWXDZVESOBBQ-FKBYEOEOSA-N 1 3 396.604 3.561 20 0 GHADHO c1csc(CN2CC[C@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953145 1035125770 /nfs/dbraw/zinc/12/57/70/1035125770.db2.gz YSIWXDZVESOBBQ-FKBYEOEOSA-N 1 3 396.604 3.561 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001208998349 1035142364 /nfs/dbraw/zinc/14/23/64/1035142364.db2.gz JPMHBDIJWFTIAH-HXUWFJFHSA-N 1 3 385.552 3.594 20 0 GHADHO CN(C)CCN(C(=O)CCc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001161445033 1035232964 /nfs/dbraw/zinc/23/29/64/1035232964.db2.gz MJJVONWXBGEAOV-NRFANRHFSA-N 1 3 395.547 3.554 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001462117551 1070006914 /nfs/dbraw/zinc/00/69/14/1070006914.db2.gz RJCSDTLMTVLKPQ-NFBKMPQASA-N 1 3 389.559 3.760 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001462117551 1070006937 /nfs/dbraw/zinc/00/69/37/1070006937.db2.gz RJCSDTLMTVLKPQ-NFBKMPQASA-N 1 3 389.559 3.760 20 0 GHADHO c1cc(C2=CC[C@H](N3CCOCC3)CC2)cc2nc([C@H]3[NH2+][C@@H]4CC[C@H]3C4)[nH]c12 ZINC001245427508 1036920048 /nfs/dbraw/zinc/92/00/48/1036920048.db2.gz QHLZIUDPMPWLCG-WEMPKCCASA-N 1 3 378.520 3.644 20 0 GHADHO c1cc(C2=CC[C@H](N3CCOCC3)CC2)cc2[nH]c([C@H]3[NH2+][C@@H]4CC[C@H]3C4)nc12 ZINC001245427508 1036920053 /nfs/dbraw/zinc/92/00/53/1036920053.db2.gz QHLZIUDPMPWLCG-WEMPKCCASA-N 1 3 378.520 3.644 20 0 GHADHO O[C@@H](CNC1(CC2CC2)CC[NH2+]CC1)COc1cccc2[nH]c3ccccc3c21 ZINC001245994677 1037117173 /nfs/dbraw/zinc/11/71/73/1037117173.db2.gz DAWZQZQWHLWSEW-SFHVURJKSA-N 1 3 393.531 3.573 20 0 GHADHO O[C@@H](C[NH2+]C1(CC2CC2)CCNCC1)COc1cccc2[nH]c3ccccc3c21 ZINC001245994677 1037117207 /nfs/dbraw/zinc/11/72/07/1037117207.db2.gz DAWZQZQWHLWSEW-SFHVURJKSA-N 1 3 393.531 3.573 20 0 GHADHO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001246015352 1037135201 /nfs/dbraw/zinc/13/52/01/1037135201.db2.gz BMDGHLYBQSVWHY-UZQPLGKSSA-N 1 3 376.491 3.745 20 0 GHADHO CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[NH+]1CCC2(CC1)CNCCO2 ZINC001246030796 1037147004 /nfs/dbraw/zinc/14/70/04/1037147004.db2.gz OZNBUBDEUHGQTB-JOCHJYFZSA-N 1 3 394.987 3.504 20 0 GHADHO O=C(CNC1CCC2(CCC[NH2+]C2)CC1)c1ccc(Br)c(F)c1 ZINC001246210664 1037240524 /nfs/dbraw/zinc/24/05/24/1037240524.db2.gz QFLFJYNSPIGHCV-UHFFFAOYSA-N 1 3 383.305 3.673 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)c(F)c1 ZINC001246356641 1037316419 /nfs/dbraw/zinc/31/64/19/1037316419.db2.gz VFIUFEGTOWDHNA-GOTSBHOMSA-N 1 3 399.529 3.882 20 0 GHADHO COc1cccc(CC2(N[C@@H]3C[C@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246374637 1037332634 /nfs/dbraw/zinc/33/26/34/1037332634.db2.gz GGNUFRHUOXZRNP-NZQKXSOJSA-N 1 3 393.575 3.613 20 0 GHADHO COc1ccc(CC2([NH2+][C@H]3CCc4cc(F)cc(F)c4C3)CCNCC2)cc1 ZINC001246378814 1037336302 /nfs/dbraw/zinc/33/63/02/1037336302.db2.gz UHINVCCOPZXJRT-IBGZPJMESA-N 1 3 386.486 3.785 20 0 GHADHO CCCCC[C@H](CCC)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246411351 1037368381 /nfs/dbraw/zinc/36/83/81/1037368381.db2.gz ORRSUFXCDXBIKJ-FLNLFJTMSA-N 1 3 384.605 3.627 20 0 GHADHO CC[C@@H]1CC(NC[C@@H]2COc3ccc(Br)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246508941 1037448415 /nfs/dbraw/zinc/44/84/15/1037448415.db2.gz GZNAGQRZSDSRMO-KBRIMQKVSA-N 1 3 381.358 3.899 20 0 GHADHO N[C@H]1CN([C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@H]1F ZINC001246532227 1037463028 /nfs/dbraw/zinc/46/30/28/1037463028.db2.gz WGFWZEGMQHJWMT-HNRDJRCMSA-N 1 3 393.550 3.732 20 0 GHADHO N[C@H]1CN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@H]1F ZINC001246532227 1037463047 /nfs/dbraw/zinc/46/30/47/1037463047.db2.gz WGFWZEGMQHJWMT-HNRDJRCMSA-N 1 3 393.550 3.732 20 0 GHADHO COc1cc(C[C@H](C)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc(OC)c1OC ZINC001246610155 1037502909 /nfs/dbraw/zinc/50/29/09/1037502909.db2.gz PUQJZWPMWUROSJ-FDDCHVKYSA-N 1 3 390.568 3.889 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246725262 1037574459 /nfs/dbraw/zinc/57/44/59/1037574459.db2.gz ZOAJQJPBCLPEOE-VDKIKQQVSA-N 1 3 397.607 3.854 20 0 GHADHO CC(C)CN1Cc2ccccc2CC2(CCN([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)C1=O ZINC001246747434 1037587900 /nfs/dbraw/zinc/58/79/00/1037587900.db2.gz KGIGMKVKBWNFCW-JHDGKUDLSA-N 1 3 397.607 3.839 20 0 GHADHO CC(C)CN1Cc2ccccc2CC2(CC[NH+]([C@@H]3C[C@@H](C)N[C@@H](C)C3)CC2)C1=O ZINC001246747434 1037587909 /nfs/dbraw/zinc/58/79/09/1037587909.db2.gz KGIGMKVKBWNFCW-JHDGKUDLSA-N 1 3 397.607 3.839 20 0 GHADHO O=C1C[C@]2(CC[N@@H+]([C@@H]3CCN[C@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752429 1037593511 /nfs/dbraw/zinc/59/35/11/1037593511.db2.gz CCTILGVCBLADIC-VIZSFHNOSA-N 1 3 395.572 3.540 20 0 GHADHO O=C1C[C@]2(CC[N@H+]([C@@H]3CCN[C@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752429 1037593528 /nfs/dbraw/zinc/59/35/28/1037593528.db2.gz CCTILGVCBLADIC-VIZSFHNOSA-N 1 3 395.572 3.540 20 0 GHADHO FC(F)(F)c1nc2ccccc2n1C1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246801867 1037635958 /nfs/dbraw/zinc/63/59/58/1037635958.db2.gz HOARGVWUBQUPKE-MZBDJJRSSA-N 1 3 378.442 3.975 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246803758 1037637141 /nfs/dbraw/zinc/63/71/41/1037637141.db2.gz CYMWXIQUNUCBJF-CEXWTWQISA-N 1 3 380.374 3.706 20 0 GHADHO N[C@@H]1CN([C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246822239 1037655268 /nfs/dbraw/zinc/65/52/68/1037655268.db2.gz WGFWZEGMQHJWMT-UBCNIHEASA-N 1 3 393.550 3.732 20 0 GHADHO N[C@@H]1CN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246822239 1037655288 /nfs/dbraw/zinc/65/52/88/1037655288.db2.gz WGFWZEGMQHJWMT-UBCNIHEASA-N 1 3 393.550 3.732 20 0 GHADHO Nc1ccc(Br)c2c1CN(C1CCC3(CCC[NH2+]C3)CC1)CC2 ZINC001246869843 1037686010 /nfs/dbraw/zinc/68/60/10/1037686010.db2.gz WUMYEJOHOFACIQ-UHFFFAOYSA-N 1 3 378.358 3.702 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCN3CCc4ccccc4[C@H]3C2)CCN1 ZINC001246868278 1037686547 /nfs/dbraw/zinc/68/65/47/1037686547.db2.gz RTHJIZZGMJDWPK-FGCOXFRFSA-N 1 3 379.523 3.842 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCN3CCc4ccccc4[C@H]3C2)CCN1 ZINC001246868278 1037686553 /nfs/dbraw/zinc/68/65/53/1037686553.db2.gz RTHJIZZGMJDWPK-FGCOXFRFSA-N 1 3 379.523 3.842 20 0 GHADHO COC(=O)C[C@H](C)N(Cc1ccccc1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246893262 1037709169 /nfs/dbraw/zinc/70/91/69/1037709169.db2.gz VIVXFFONSWMKOM-WWPVKYPJSA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246893262 1037709181 /nfs/dbraw/zinc/70/91/81/1037709181.db2.gz VIVXFFONSWMKOM-WWPVKYPJSA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246893262 1037709189 /nfs/dbraw/zinc/70/91/89/1037709189.db2.gz VIVXFFONSWMKOM-WWPVKYPJSA-N 1 3 380.532 3.804 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3nc4ccccc4o3)C[C@@H]21 ZINC001232557837 1038324806 /nfs/dbraw/zinc/32/48/06/1038324806.db2.gz KDKUIDKFZIEDBR-HFSMHLIXSA-N 1 3 376.504 3.955 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4ccccc4o3)C[C@@H]21 ZINC001232557837 1038324810 /nfs/dbraw/zinc/32/48/10/1038324810.db2.gz KDKUIDKFZIEDBR-HFSMHLIXSA-N 1 3 376.504 3.955 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000721862021 1038412983 /nfs/dbraw/zinc/41/29/83/1038412983.db2.gz NZNJFTUSYSUIRY-ZQOQTTQJSA-N 1 3 399.579 3.885 20 0 GHADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3cccc(Cl)n3)C[C@H]2CC1 ZINC001278645989 1038873420 /nfs/dbraw/zinc/87/34/20/1038873420.db2.gz OFTDSFRPZSKXEX-IYBDPMFKSA-N 1 3 376.957 3.844 20 0 GHADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3cccc(Cl)n3)C[C@H]2CC1 ZINC001278645989 1038873441 /nfs/dbraw/zinc/87/34/41/1038873441.db2.gz OFTDSFRPZSKXEX-IYBDPMFKSA-N 1 3 376.957 3.844 20 0 GHADHO CCCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252757957 1039140132 /nfs/dbraw/zinc/14/01/32/1039140132.db2.gz JUHSBSVQNUXKGG-OAQYLSRUSA-N 1 3 376.585 3.920 20 0 GHADHO CCCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252757957 1039140144 /nfs/dbraw/zinc/14/01/44/1039140144.db2.gz JUHSBSVQNUXKGG-OAQYLSRUSA-N 1 3 376.585 3.920 20 0 GHADHO CCOc1ccc([C@@H]2CCCN2C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252928727 1039265330 /nfs/dbraw/zinc/26/53/30/1039265330.db2.gz BEFZGRRXIPLZGL-ZEQRLZLVSA-N 1 3 380.532 3.859 20 0 GHADHO CCOc1ccc([C@@H]2CCCN2C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252928727 1039265348 /nfs/dbraw/zinc/26/53/48/1039265348.db2.gz BEFZGRRXIPLZGL-ZEQRLZLVSA-N 1 3 380.532 3.859 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C[C@@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352030 1039564005 /nfs/dbraw/zinc/56/40/05/1039564005.db2.gz UDIQZGGVELMLHQ-RTWAWAEBSA-N 1 3 390.474 3.968 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C[C@@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352030 1039564020 /nfs/dbraw/zinc/56/40/20/1039564020.db2.gz UDIQZGGVELMLHQ-RTWAWAEBSA-N 1 3 390.474 3.968 20 0 GHADHO O[C@H](CN1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1)c1ccc(F)c(F)c1 ZINC001253356976 1039568504 /nfs/dbraw/zinc/56/85/04/1039568504.db2.gz PMJQWJGBBLFZKQ-HXUWFJFHSA-N 1 3 376.447 3.579 20 0 GHADHO O[C@H](CN1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1)c1ccc(F)c(F)c1 ZINC001253356976 1039568515 /nfs/dbraw/zinc/56/85/15/1039568515.db2.gz PMJQWJGBBLFZKQ-HXUWFJFHSA-N 1 3 376.447 3.579 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001233739662 1039581402 /nfs/dbraw/zinc/58/14/02/1039581402.db2.gz JTQNGTSGLOMFDQ-PTUXOGIPSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001233739662 1039581416 /nfs/dbraw/zinc/58/14/16/1039581416.db2.gz JTQNGTSGLOMFDQ-PTUXOGIPSA-N 1 3 398.595 3.603 20 0 GHADHO CN(c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1)c1ccccc1F ZINC001234240278 1039935289 /nfs/dbraw/zinc/93/52/89/1039935289.db2.gz ASWWBPBCDHLBFF-UHFFFAOYSA-N 1 3 396.554 3.805 20 0 GHADHO OC1(C[NH+]2CCC3(CCc4ccccc43)CC2)CCN(Cc2ccccc2)CC1 ZINC001254037575 1039968973 /nfs/dbraw/zinc/96/89/73/1039968973.db2.gz XARBOZNJVMNRQS-UHFFFAOYSA-N 1 3 390.571 3.994 20 0 GHADHO OC1(C[NH2+]Cc2cccc(N3CCCCC3)c2)CCN(Cc2ccccc2)CC1 ZINC001254048339 1039974494 /nfs/dbraw/zinc/97/44/94/1039974494.db2.gz ISSPSYBUVLPCLO-UHFFFAOYSA-N 1 3 393.575 3.794 20 0 GHADHO COc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)c(OC(C)C)c1 ZINC001234705677 1040238799 /nfs/dbraw/zinc/23/87/99/1040238799.db2.gz PUWHGLZJNGFWBH-IRLDBZIGSA-N 1 3 395.547 3.831 20 0 GHADHO COc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)c(OC(C)C)c1 ZINC001234705677 1040238815 /nfs/dbraw/zinc/23/88/15/1040238815.db2.gz PUWHGLZJNGFWBH-IRLDBZIGSA-N 1 3 395.547 3.831 20 0 GHADHO C[N@@H+]1CCC[C@@H](N2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518718 1040292612 /nfs/dbraw/zinc/29/26/12/1040292612.db2.gz DKPTUPGFGVYFMA-NHCUHLMSSA-N 1 3 399.579 3.807 20 0 GHADHO C[N@H+]1CCC[C@@H](N2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518718 1040292616 /nfs/dbraw/zinc/29/26/16/1040292616.db2.gz DKPTUPGFGVYFMA-NHCUHLMSSA-N 1 3 399.579 3.807 20 0 GHADHO CC[NH+]1CCC(N(C)Cc2ccc(-n3ccnc3)c(Br)c2)CC1 ZINC001235029905 1040521524 /nfs/dbraw/zinc/52/15/24/1040521524.db2.gz LIJYXSJAEIOFPD-UHFFFAOYSA-N 1 3 377.330 3.551 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](N1CCC([NH3+])(c3ccccc3)CC1)C2 ZINC001254770158 1040531136 /nfs/dbraw/zinc/53/11/36/1040531136.db2.gz LIZOTVIMEACJNF-IBGZPJMESA-N 1 3 385.552 3.726 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CCC4(C3)CC[NH2+]CC4)c2n1 ZINC001235091631 1040580807 /nfs/dbraw/zinc/58/08/07/1040580807.db2.gz GLMRONLRQVQAMU-UHFFFAOYSA-N 1 3 390.325 3.581 20 0 GHADHO CCCN1C[C@H]2C[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001254879689 1040628304 /nfs/dbraw/zinc/62/83/04/1040628304.db2.gz PTFZWUQVBNTTBN-LFDKBHOUSA-N 1 3 391.600 3.830 20 0 GHADHO FC(F)(F)Oc1ccc2[nH]c(CN3CCCC[C@@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235155544 1040648576 /nfs/dbraw/zinc/64/85/76/1040648576.db2.gz LLZPDGZKUDFJQD-QGZVFWFLSA-N 1 3 382.430 3.816 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH+]3CCC(N4CCCCC4)CC3)C[C@@H]2C1 ZINC001254899620 1040654846 /nfs/dbraw/zinc/65/48/46/1040654846.db2.gz IZCPDTLVGWPGFJ-OPVJXMOQSA-N 1 3 377.573 3.582 20 0 GHADHO [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254939468 1040678705 /nfs/dbraw/zinc/67/87/05/1040678705.db2.gz GTQNYLCDUYUTJW-HZPDHXFCSA-N 1 3 380.454 3.799 20 0 GHADHO c1ccc([C@@]23CC[NH2+]C[C@@H]2CN(Cc2cccc(-c4cncnc4)c2)CC3)cc1 ZINC001235361542 1040846629 /nfs/dbraw/zinc/84/66/29/1040846629.db2.gz FLGZHJPOUCMEPY-RPBOFIJWSA-N 1 3 384.527 3.897 20 0 GHADHO CCOC(=O)C1CCC(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001255264421 1040933100 /nfs/dbraw/zinc/93/31/00/1040933100.db2.gz NDGKLWJYPMSWRX-UHFFFAOYSA-N 1 3 376.516 3.844 20 0 GHADHO CCOC(=O)C1CCC(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001255264421 1040933106 /nfs/dbraw/zinc/93/31/06/1040933106.db2.gz NDGKLWJYPMSWRX-UHFFFAOYSA-N 1 3 376.516 3.844 20 0 GHADHO Cc1ccccc1[C@@H]1CCCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235441457 1040939715 /nfs/dbraw/zinc/93/97/15/1040939715.db2.gz JXKSPAMHFVCVHV-QFIPXVFZSA-N 1 3 375.520 3.842 20 0 GHADHO Cc1cc(O[C@@H]2CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)ncn1 ZINC001255409622 1040997936 /nfs/dbraw/zinc/99/79/36/1040997936.db2.gz JEYGBIOMLIJOCP-FCHUYYIVSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cc(O[C@@H]2CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)ncn1 ZINC001255409622 1040997949 /nfs/dbraw/zinc/99/79/49/1040997949.db2.gz JEYGBIOMLIJOCP-FCHUYYIVSA-N 1 3 380.536 3.683 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3[C@@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659197 1041111924 /nfs/dbraw/zinc/11/19/24/1041111924.db2.gz CXVXJEUNYACOAU-KJRRRBQDSA-N 1 3 377.523 3.588 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3[C@@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659197 1041111932 /nfs/dbraw/zinc/11/19/32/1041111932.db2.gz CXVXJEUNYACOAU-KJRRRBQDSA-N 1 3 377.523 3.588 20 0 GHADHO FC(F)(F)c1cccc(C[NH2+]C2CCN(C3CCC4(CC3)OCCO4)CC2)c1 ZINC001255631083 1041181174 /nfs/dbraw/zinc/18/11/74/1041181174.db2.gz YQZHKGFFMPHOHI-UHFFFAOYSA-N 1 3 398.469 3.945 20 0 GHADHO Cn1cc(CN2CCCC23CC[NH+]([C@H]2CCC[C@@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717027 1041244394 /nfs/dbraw/zinc/24/43/94/1041244394.db2.gz PZWQWXLNAUHZMD-MSOLQXFVSA-N 1 3 384.490 3.972 20 0 GHADHO CN(CCc1ccc(Cl)cc1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235840501 1041367681 /nfs/dbraw/zinc/36/76/81/1041367681.db2.gz ODNAYKIMXOHOJX-UHFFFAOYSA-N 1 3 383.927 3.524 20 0 GHADHO CC[C@@H]([NH3+])CN1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001235868144 1041401517 /nfs/dbraw/zinc/40/15/17/1041401517.db2.gz UZNYAAUKQLRFDL-HSZRJFAPSA-N 1 3 381.564 3.538 20 0 GHADHO COc1cccc(OC)c1CN1CCC(n2ccc3cccc(C[NH3+])c32)CC1 ZINC001255927924 1041416503 /nfs/dbraw/zinc/41/65/03/1041416503.db2.gz HEXTWFMDFKJOIL-UHFFFAOYSA-N 1 3 379.504 3.954 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001255947900 1041431818 /nfs/dbraw/zinc/43/18/18/1041431818.db2.gz YOXNGHRDXRZOHT-OALUTQOASA-N 1 3 397.604 3.645 20 0 GHADHO Clc1ccccc1CN1CCC(C[NH2+]C2CCN(c3ncccn3)CC2)CC1 ZINC001256051668 1041496211 /nfs/dbraw/zinc/49/62/11/1041496211.db2.gz LGAOZFHWIQOTHS-UHFFFAOYSA-N 1 3 399.970 3.601 20 0 GHADHO Cc1cc(-c2cccc(Cl)c2)ncc1CN1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001236082353 1041525350 /nfs/dbraw/zinc/52/53/50/1041525350.db2.gz LTZRGPQPVNBULS-OAQYLSRUSA-N 1 3 384.955 3.565 20 0 GHADHO COc1ccc(CN(CCc2ccc(OC)c(OC)c2)C2CC[NH2+]CC2)cc1 ZINC001236439552 1041712174 /nfs/dbraw/zinc/71/21/74/1041712174.db2.gz HTPXWMRNTLAYBA-UHFFFAOYSA-N 1 3 384.520 3.509 20 0 GHADHO COc1ccc(C[N@H+](CCc2ccc(OC)c(OC)c2)C2CCNCC2)cc1 ZINC001236439552 1041712181 /nfs/dbraw/zinc/71/21/81/1041712181.db2.gz HTPXWMRNTLAYBA-UHFFFAOYSA-N 1 3 384.520 3.509 20 0 GHADHO COc1ccc(C[N@@H+](CCc2ccc(OC)c(OC)c2)C2CCNCC2)cc1 ZINC001236439552 1041712188 /nfs/dbraw/zinc/71/21/88/1041712188.db2.gz HTPXWMRNTLAYBA-UHFFFAOYSA-N 1 3 384.520 3.509 20 0 GHADHO CC(C)(C)CN(Cc1n[nH]c2cc(Br)ccc21)C1CC[NH2+]CC1 ZINC001236458610 1041721845 /nfs/dbraw/zinc/72/18/45/1041721845.db2.gz ZJRYJHJQMRRLFV-UHFFFAOYSA-N 1 3 379.346 3.926 20 0 GHADHO COC(=O)c1ccc(CN(Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236544912 1041757332 /nfs/dbraw/zinc/75/73/32/1041757332.db2.gz WAYPKAQPTGOPRV-QAQDUYKDSA-N 1 3 388.533 3.815 20 0 GHADHO CC(C)(C)c1cc(CN2CCC(N3CC[C@H]([NH3+])C3)CC2)cc(C(C)(C)C)c1O ZINC001236615167 1041782528 /nfs/dbraw/zinc/78/25/28/1041782528.db2.gz GGTQWXJXCCGNSZ-SFHVURJKSA-N 1 3 387.612 3.985 20 0 GHADHO Cc1ccc(CN(C2CCC2)C2CC[NH2+]CC2)cc1I ZINC001236648365 1041802218 /nfs/dbraw/zinc/80/22/18/1041802218.db2.gz QLXJMMJWSIFKDA-UHFFFAOYSA-N 1 3 384.305 3.706 20 0 GHADHO Cc1ccc(C[N@H+](C2CCC2)C2CCNCC2)cc1I ZINC001236648365 1041802225 /nfs/dbraw/zinc/80/22/25/1041802225.db2.gz QLXJMMJWSIFKDA-UHFFFAOYSA-N 1 3 384.305 3.706 20 0 GHADHO Cc1ccc(C[N@@H+](C2CCC2)C2CCNCC2)cc1I ZINC001236648365 1041802234 /nfs/dbraw/zinc/80/22/34/1041802234.db2.gz QLXJMMJWSIFKDA-UHFFFAOYSA-N 1 3 384.305 3.706 20 0 GHADHO Cc1c(I)cccc1CN(C1CCC1)C1CC[NH2+]CC1 ZINC001236649399 1041802734 /nfs/dbraw/zinc/80/27/34/1041802734.db2.gz XXHLPTWPDGGFNB-UHFFFAOYSA-N 1 3 384.305 3.706 20 0 GHADHO Cc1c(I)cccc1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236649399 1041802740 /nfs/dbraw/zinc/80/27/40/1041802740.db2.gz XXHLPTWPDGGFNB-UHFFFAOYSA-N 1 3 384.305 3.706 20 0 GHADHO Cc1c(I)cccc1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236649399 1041802744 /nfs/dbraw/zinc/80/27/44/1041802744.db2.gz XXHLPTWPDGGFNB-UHFFFAOYSA-N 1 3 384.305 3.706 20 0 GHADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC001462597262 1070402396 /nfs/dbraw/zinc/40/23/96/1070402396.db2.gz YYFGFNJHIZKVDQ-MISYRCLQSA-N 1 3 390.572 3.700 20 0 GHADHO Clc1ccc(CCC[NH+]2CC3(C2)CCN(CCn2ccnc2)C3)cc1Cl ZINC001278122240 1042282749 /nfs/dbraw/zinc/28/27/49/1042282749.db2.gz BUVNJIWTURHJKS-UHFFFAOYSA-N 1 3 393.362 3.830 20 0 GHADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(CCN(CC5CC5)C4=O)CC3)cc21 ZINC001237884292 1042409318 /nfs/dbraw/zinc/40/93/18/1042409318.db2.gz AFHXLFZWGAJRHF-UHFFFAOYSA-N 1 3 393.575 3.912 20 0 GHADHO CC(C)C1=[NH+]CCc2ccc(CN3CCC4(CCN(CC5CC5)C4=O)CC3)cc21 ZINC001237884292 1042409321 /nfs/dbraw/zinc/40/93/21/1042409321.db2.gz AFHXLFZWGAJRHF-UHFFFAOYSA-N 1 3 393.575 3.912 20 0 GHADHO Fc1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)cc(N2CCCC2)c1 ZINC001238699322 1042690153 /nfs/dbraw/zinc/69/01/53/1042690153.db2.gz OJFJPIOZNLHHDG-UHFFFAOYSA-N 1 3 389.559 3.750 20 0 GHADHO CCOc1cc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(F)cn1 ZINC001238728410 1042704618 /nfs/dbraw/zinc/70/46/18/1042704618.db2.gz NXLCSGHOTWGKKL-UHFFFAOYSA-N 1 3 398.526 3.891 20 0 GHADHO CCOc1cc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(F)cn1 ZINC001238728410 1042704619 /nfs/dbraw/zinc/70/46/19/1042704619.db2.gz NXLCSGHOTWGKKL-UHFFFAOYSA-N 1 3 398.526 3.891 20 0 GHADHO CN(C)CCN(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001239308296 1042806345 /nfs/dbraw/zinc/80/63/45/1042806345.db2.gz XATOYQWJAFJUJH-CYBMUJFWSA-N 1 3 392.853 3.506 20 0 GHADHO CN1CCN(Cc2ccc(-c3ccc4c(c3)C3(CC4)CC[NH2+]CC3)cc2)CC1 ZINC001240402856 1042926753 /nfs/dbraw/zinc/92/67/53/1042926753.db2.gz WLYMWRJTOIAMAN-UHFFFAOYSA-N 1 3 375.560 3.668 20 0 GHADHO COc1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1OCc1ccccc1 ZINC001240472796 1042933825 /nfs/dbraw/zinc/93/38/25/1042933825.db2.gz NICHSVRLDONPRK-UHFFFAOYSA-N 1 3 375.472 3.746 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462672664 1070460718 /nfs/dbraw/zinc/46/07/18/1070460718.db2.gz KTKAVDGEFGFGLV-GBESFXJTSA-N 1 3 385.552 3.694 20 0 GHADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCC[N@H+](C)C(C)C ZINC001291620228 1043360684 /nfs/dbraw/zinc/36/06/84/1043360684.db2.gz HPIFQNNPNZNWAS-IBGZPJMESA-N 1 3 390.620 3.587 20 0 GHADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001291620228 1043360696 /nfs/dbraw/zinc/36/06/96/1043360696.db2.gz HPIFQNNPNZNWAS-IBGZPJMESA-N 1 3 390.620 3.587 20 0 GHADHO C[C@@H]1C[C@@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256539663 1043486547 /nfs/dbraw/zinc/48/65/47/1043486547.db2.gz DIQUNKQJDSFUEG-QPPBQGQZSA-N 1 3 390.575 3.642 20 0 GHADHO C[C@@H]1C[C@@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256539663 1043486554 /nfs/dbraw/zinc/48/65/54/1043486554.db2.gz DIQUNKQJDSFUEG-QPPBQGQZSA-N 1 3 390.575 3.642 20 0 GHADHO C[C@@H]1C[C@@H](N2CCN(CCc3cccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256551465 1043515884 /nfs/dbraw/zinc/51/58/84/1043515884.db2.gz SANWJHNMDRHHSI-IRLDBZIGSA-N 1 3 383.605 3.961 20 0 GHADHO C[C@@H]1C[C@@H](N2CCN(CCc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256551465 1043515895 /nfs/dbraw/zinc/51/58/95/1043515895.db2.gz SANWJHNMDRHHSI-IRLDBZIGSA-N 1 3 383.605 3.961 20 0 GHADHO COCCN(C)[C@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001256568902 1043542170 /nfs/dbraw/zinc/54/21/70/1043542170.db2.gz KBUWYCSOZZFNRW-HXUWFJFHSA-N 1 3 381.992 3.812 20 0 GHADHO C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(Br)cc1F ZINC001256686967 1043622162 /nfs/dbraw/zinc/62/21/62/1043622162.db2.gz XWPUZQXLQAHRDQ-IUDNXUCKSA-N 1 3 385.321 3.882 20 0 GHADHO Fc1ccccc1[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CCOCC1 ZINC001256686627 1043622216 /nfs/dbraw/zinc/62/22/16/1043622216.db2.gz RJJSKTMFXLDBQH-AJTFCVKESA-N 1 3 376.516 3.526 20 0 GHADHO CC[C@H]1C[C@H](N2CCN(c3cc[nH+]c(C)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257146135 1043895400 /nfs/dbraw/zinc/89/54/00/1043895400.db2.gz YMAZLFWAHAOGSJ-AZUAARDMSA-N 1 3 388.556 3.690 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C3)C[C@@H]2C1 ZINC001257206435 1043936703 /nfs/dbraw/zinc/93/67/03/1043936703.db2.gz TWYQAYAKLRZSCB-WCIQWLHISA-N 1 3 379.589 3.684 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C3)C[C@@H]2C1 ZINC001257206435 1043936705 /nfs/dbraw/zinc/93/67/05/1043936705.db2.gz TWYQAYAKLRZSCB-WCIQWLHISA-N 1 3 379.589 3.684 20 0 GHADHO CC(C)[NH+]1CCC(N2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001257218058 1043940308 /nfs/dbraw/zinc/94/03/08/1043940308.db2.gz XWMPIELNUDNVBG-QHCPKHFHSA-N 1 3 389.559 3.617 20 0 GHADHO CNC(=O)N[C@H]1CC2(CCN(C3CC[NH+](C(C)C)CC3)CC2)c2ccc(C)cc21 ZINC001257215507 1043940355 /nfs/dbraw/zinc/94/03/55/1043940355.db2.gz DWNHOXXHBTYTDV-QFIPXVFZSA-N 1 3 398.595 3.575 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@H]2COc3ccc(Br)cc3C2)CC1 ZINC001258008918 1044335347 /nfs/dbraw/zinc/33/53/47/1044335347.db2.gz LMRVFCADSLCPQP-HNNXBMFYSA-N 1 3 381.358 3.710 20 0 GHADHO CC(C)C[NH+]1CCC(NC[C@H]2COc3ccc(Br)cc3C2)CC1 ZINC001258008918 1044335354 /nfs/dbraw/zinc/33/53/54/1044335354.db2.gz LMRVFCADSLCPQP-HNNXBMFYSA-N 1 3 381.358 3.710 20 0 GHADHO CC(C)CN1CCC([N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014226 1044341828 /nfs/dbraw/zinc/34/18/28/1044341828.db2.gz GEFXCGHOPPZAMX-OYDLWJJNSA-N 1 3 384.612 3.734 20 0 GHADHO CC(C)CN1CCC([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014226 1044341840 /nfs/dbraw/zinc/34/18/40/1044341840.db2.gz GEFXCGHOPPZAMX-OYDLWJJNSA-N 1 3 384.612 3.734 20 0 GHADHO CC(C)C[NH+]1CCC(N(C2CC2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258017628 1044344331 /nfs/dbraw/zinc/34/43/31/1044344331.db2.gz CIDZNJLRJAGDQZ-FQEVSTJZSA-N 1 3 379.589 3.971 20 0 GHADHO CCOC(=O)CCC[C@@H](C)[NH+]1CCC2(CCCN2Cc2c(C)noc2C)CC1 ZINC001258121048 1044408533 /nfs/dbraw/zinc/40/85/33/1044408533.db2.gz HQCNCTNHFJVJBG-QGZVFWFLSA-N 1 3 391.556 3.844 20 0 GHADHO COc1cc(C[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc(OC)c1OC ZINC001258861813 1044801841 /nfs/dbraw/zinc/80/18/41/1044801841.db2.gz KKSSLXLWIJNXDG-KRWDZBQOSA-N 1 3 390.568 3.888 20 0 GHADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC001296000636 1045217735 /nfs/dbraw/zinc/21/77/35/1045217735.db2.gz ZNUJQKZIOIMEDQ-RBUKOAKNSA-N 1 3 390.620 3.583 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001296046567 1045233414 /nfs/dbraw/zinc/23/34/14/1045233414.db2.gz UMZRXSOQPBHAEC-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001296046567 1045233423 /nfs/dbraw/zinc/23/34/23/1045233423.db2.gz UMZRXSOQPBHAEC-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO CC(C)[N@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303264744 1047328573 /nfs/dbraw/zinc/32/85/73/1047328573.db2.gz XHHWXRQZPNXDEU-UHFFFAOYSA-N 1 3 398.599 3.596 20 0 GHADHO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303264744 1047328591 /nfs/dbraw/zinc/32/85/91/1047328591.db2.gz XHHWXRQZPNXDEU-UHFFFAOYSA-N 1 3 398.599 3.596 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000390775291 1047512506 /nfs/dbraw/zinc/51/25/06/1047512506.db2.gz OBVRKWXJZCKVKJ-CEMLEFRQSA-N 1 3 399.579 3.886 20 0 GHADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1cc(C(F)(F)F)ccc1Cl)CC2 ZINC001279452393 1047814342 /nfs/dbraw/zinc/81/43/42/1047814342.db2.gz HLNNYIAQLLHXMD-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3F)C[C@H]2CC1 ZINC001279804691 1047955385 /nfs/dbraw/zinc/95/53/85/1047955385.db2.gz ZCADZRQWUWFJNA-GASCZTMLSA-N 1 3 388.358 3.838 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3F)C[C@H]2CC1 ZINC001279804691 1047955393 /nfs/dbraw/zinc/95/53/93/1047955393.db2.gz ZCADZRQWUWFJNA-GASCZTMLSA-N 1 3 388.358 3.838 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001305417688 1048038033 /nfs/dbraw/zinc/03/80/33/1048038033.db2.gz ZOWQPBRNCHMLDS-VNTMZGSJSA-N 1 3 392.636 3.687 20 0 GHADHO CC[C@H](C)[N@H+](C)CCn1c(C(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305602182 1048175785 /nfs/dbraw/zinc/17/57/85/1048175785.db2.gz ARPCBHIERBVHFX-IBGZPJMESA-N 1 3 392.636 3.690 20 0 GHADHO CC[C@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305602182 1048175791 /nfs/dbraw/zinc/17/57/91/1048175791.db2.gz ARPCBHIERBVHFX-IBGZPJMESA-N 1 3 392.636 3.690 20 0 GHADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)[C@@H]1c1ccccc1 ZINC001306178836 1048495922 /nfs/dbraw/zinc/49/59/22/1048495922.db2.gz KXDUHHIYNQTKHS-ZVDOUQERSA-N 1 3 383.561 3.694 20 0 GHADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)[C@@H]1c1ccccc1 ZINC001306178836 1048495930 /nfs/dbraw/zinc/49/59/30/1048495930.db2.gz KXDUHHIYNQTKHS-ZVDOUQERSA-N 1 3 383.561 3.694 20 0 GHADHO C[NH+](C)CCOc1ccccc1N1CCN([C@H]2CCCc3ccccc32)CC1 ZINC001307556341 1049397878 /nfs/dbraw/zinc/39/78/78/1049397878.db2.gz XXTXXTRHPZFMNB-QFIPXVFZSA-N 1 3 379.548 3.827 20 0 GHADHO CC[C@](C)([NH2+]CC(=O)N1CCCN(Cc2ccccc2C)CC1)c1ccccc1 ZINC001307633307 1049464200 /nfs/dbraw/zinc/46/42/00/1049464200.db2.gz RUQOMTATTFOIRE-VWLOTQADSA-N 1 3 393.575 3.944 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+]C1(Cc2ccccc2)CCCC1)c1ccccc1 ZINC001307669067 1049490690 /nfs/dbraw/zinc/49/06/90/1049490690.db2.gz FRHMOIMJXAGFEE-JOCHJYFZSA-N 1 3 379.548 3.551 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[NH2+]C1(Cc2ccccc2)CCCC1)c1ccccc1 ZINC001307669068 1049492506 /nfs/dbraw/zinc/49/25/06/1049492506.db2.gz FRHMOIMJXAGFEE-QFIPXVFZSA-N 1 3 379.548 3.551 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc(OC(F)(F)F)c1 ZINC001308344574 1049953905 /nfs/dbraw/zinc/95/39/05/1049953905.db2.gz PEQYLJOJGRZFOI-IBGZPJMESA-N 1 3 394.437 3.832 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc(OC(F)(F)F)c1 ZINC001308344574 1049953907 /nfs/dbraw/zinc/95/39/07/1049953907.db2.gz PEQYLJOJGRZFOI-IBGZPJMESA-N 1 3 394.437 3.832 20 0 GHADHO COC(=O)/C=C\c1ccc(CNCCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001308886349 1050140392 /nfs/dbraw/zinc/14/03/92/1050140392.db2.gz LOXZTGIFPJPYQT-KTKRTIGZSA-N 1 3 382.504 3.858 20 0 GHADHO Cn1cc(-c2ccc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)cc2)cn1 ZINC001322401845 1056677880 /nfs/dbraw/zinc/67/78/80/1056677880.db2.gz IBJUECJGLQUARD-UHFFFAOYSA-N 1 3 390.531 3.852 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039219 1057268542 /nfs/dbraw/zinc/26/85/42/1057268542.db2.gz PENLWADJFLKLRO-OXJNMPFZSA-N 1 3 375.463 3.726 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCCC3(CC[NH2+]CC3)C2)c2ccccc2)CC1 ZINC001325354221 1057317347 /nfs/dbraw/zinc/31/73/47/1057317347.db2.gz HMKZPFKRMNVTRV-JOCHJYFZSA-N 1 3 398.595 3.635 20 0 GHADHO CC(C)(C)c1nc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000849019996 1057527300 /nfs/dbraw/zinc/52/73/00/1057527300.db2.gz QTJHAXOMIGAFPZ-UHFFFAOYSA-N 1 3 399.608 3.762 20 0 GHADHO CC[NH+]1CCC(C(=O)N2CCN(CC3CCCCC3)CC2)(c2ccccc2)CC1 ZINC001442475276 1058966898 /nfs/dbraw/zinc/96/68/98/1058966898.db2.gz PNWGHVKPPXRBEY-UHFFFAOYSA-N 1 3 397.607 3.765 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001444923416 1059414012 /nfs/dbraw/zinc/41/40/12/1059414012.db2.gz IKSXUZSHQQDVTO-UHFFFAOYSA-N 1 3 379.548 3.527 20 0 GHADHO CCCN(C)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC001449261990 1060363555 /nfs/dbraw/zinc/36/35/55/1060363555.db2.gz DLOUNASFFTXEQY-YZGWKJHDSA-N 1 3 379.976 3.960 20 0 GHADHO Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001453212230 1061094393 /nfs/dbraw/zinc/09/43/93/1061094393.db2.gz RVMCDANLDKIJIB-INIZCTEOSA-N 1 3 375.582 3.828 20 0 GHADHO Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001453212230 1061094414 /nfs/dbraw/zinc/09/44/14/1061094414.db2.gz RVMCDANLDKIJIB-INIZCTEOSA-N 1 3 375.582 3.828 20 0 GHADHO Cc1cc(NC(=O)[C@@H](C(C)C)N2CCCCC2)ccc1OCC[NH+]1CCCC1 ZINC001465285387 1065526291 /nfs/dbraw/zinc/52/62/91/1065526291.db2.gz VLQHTUIPNBNOKQ-JOCHJYFZSA-N 1 3 387.568 3.919 20 0 GHADHO C[C@H]1C[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001465916578 1065921087 /nfs/dbraw/zinc/92/10/87/1065921087.db2.gz YMJIUQSOGJWGEL-UWJYYQICSA-N 1 3 376.504 3.684 20 0 GHADHO C[C@H]1C[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001465916578 1065921090 /nfs/dbraw/zinc/92/10/90/1065921090.db2.gz YMJIUQSOGJWGEL-UWJYYQICSA-N 1 3 376.504 3.684 20 0 GHADHO CC[C@@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)N1CCc2ccccc2C1 ZINC001467674902 1067412059 /nfs/dbraw/zinc/41/20/59/1067412059.db2.gz BPOSMXGSNHQQNF-MHIUNMELSA-N 1 3 398.595 3.530 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000849275372 1067784179 /nfs/dbraw/zinc/78/41/79/1067784179.db2.gz MZAVXUGSCBCRMC-ZDUSSCGKSA-N 1 3 390.569 3.560 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000849275372 1067784183 /nfs/dbraw/zinc/78/41/83/1067784183.db2.gz MZAVXUGSCBCRMC-ZDUSSCGKSA-N 1 3 390.569 3.560 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC001469319546 1068100185 /nfs/dbraw/zinc/10/01/85/1068100185.db2.gz VAOPIDVNULIFAL-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC001470025928 1068530181 /nfs/dbraw/zinc/53/01/81/1068530181.db2.gz ITACHTZRJHYMER-INIZCTEOSA-N 1 3 389.490 3.634 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC001470025928 1068530192 /nfs/dbraw/zinc/53/01/92/1068530192.db2.gz ITACHTZRJHYMER-INIZCTEOSA-N 1 3 389.490 3.634 20 0 GHADHO Cc1nccn1CCCC[N@@H+](C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460316909 1068921947 /nfs/dbraw/zinc/92/19/47/1068921947.db2.gz IVZQEPIXVAXXQM-BGYRXZFFSA-N 1 3 384.568 3.713 20 0 GHADHO Cc1nccn1CCCC[N@H+](C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460316909 1068921953 /nfs/dbraw/zinc/92/19/53/1068921953.db2.gz IVZQEPIXVAXXQM-BGYRXZFFSA-N 1 3 384.568 3.713 20 0 GHADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001470854731 1072773096 /nfs/dbraw/zinc/77/30/96/1072773096.db2.gz NDBMTNOCFOPSKJ-FYYLOGMGSA-N 1 3 398.595 3.699 20 0 GHADHO CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001470854731 1072773107 /nfs/dbraw/zinc/77/31/07/1072773107.db2.gz NDBMTNOCFOPSKJ-FYYLOGMGSA-N 1 3 398.595 3.699 20 0 GHADHO C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC001471226253 1072973885 /nfs/dbraw/zinc/97/38/85/1072973885.db2.gz AOJTZTBKSQNFMW-VXNXHJTFSA-N 1 3 391.559 3.503 20 0 GHADHO C[N@H+]1C[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC001471226253 1072973889 /nfs/dbraw/zinc/97/38/89/1072973889.db2.gz AOJTZTBKSQNFMW-VXNXHJTFSA-N 1 3 391.559 3.503 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC001478956615 1079037866 /nfs/dbraw/zinc/03/78/66/1079037866.db2.gz CYFAGESLPVJCAL-IBGZPJMESA-N 1 3 394.563 3.698 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC001478956615 1079037872 /nfs/dbraw/zinc/03/78/72/1079037872.db2.gz CYFAGESLPVJCAL-IBGZPJMESA-N 1 3 394.563 3.698 20 0 GHADHO C[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)N(C)Cc1ccccc1 ZINC001472509810 1073522475 /nfs/dbraw/zinc/52/24/75/1073522475.db2.gz YWKXSYVSJJQUKQ-CVDCTZTESA-N 1 3 379.548 3.746 20 0 GHADHO C[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)N(C)Cc1ccccc1 ZINC001472509810 1073522483 /nfs/dbraw/zinc/52/24/83/1073522483.db2.gz YWKXSYVSJJQUKQ-CVDCTZTESA-N 1 3 379.548 3.746 20 0 GHADHO C[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)N(C)Cc1ccccc1 ZINC001472509809 1073522601 /nfs/dbraw/zinc/52/26/01/1073522601.db2.gz YWKXSYVSJJQUKQ-AUSIDOKSSA-N 1 3 379.548 3.746 20 0 GHADHO C[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)N(C)Cc1ccccc1 ZINC001472509809 1073522615 /nfs/dbraw/zinc/52/26/15/1073522615.db2.gz YWKXSYVSJJQUKQ-AUSIDOKSSA-N 1 3 379.548 3.746 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669913 1074076360 /nfs/dbraw/zinc/07/63/60/1074076360.db2.gz DRIHMWGZSBVGKD-NHCUHLMSSA-N 1 3 375.557 3.723 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669913 1074076365 /nfs/dbraw/zinc/07/63/65/1074076365.db2.gz DRIHMWGZSBVGKD-NHCUHLMSSA-N 1 3 375.557 3.723 20 0 GHADHO COc1ncc(Br)cc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC001474036291 1074243531 /nfs/dbraw/zinc/24/35/31/1074243531.db2.gz ZMZKSGBCWPJUTP-UHFFFAOYSA-N 1 3 382.346 3.739 20 0 GHADHO C[NH+](C)C1CCN(CCNCc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC001474039244 1074244840 /nfs/dbraw/zinc/24/48/40/1074244840.db2.gz AHBBOZFIHHUGCP-UHFFFAOYSA-N 1 3 379.976 3.777 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001474067593 1074252414 /nfs/dbraw/zinc/25/24/14/1074252414.db2.gz AOKIKGMLUNKUTG-DLBZAZTESA-N 1 3 376.850 3.826 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001474355463 1074360046 /nfs/dbraw/zinc/36/00/46/1074360046.db2.gz JYXWADMYLYDCAT-UPVQGACJSA-N 1 3 395.595 3.929 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001474355463 1074360054 /nfs/dbraw/zinc/36/00/54/1074360054.db2.gz JYXWADMYLYDCAT-UPVQGACJSA-N 1 3 395.595 3.929 20 0 GHADHO C[C@H]1CN(c2ccccc2CN2CCC(C[NH+]3CCCCCC3)CC2)CCO1 ZINC001474356515 1074360617 /nfs/dbraw/zinc/36/06/17/1074360617.db2.gz JEVLVADCMYLJFC-NRFANRHFSA-N 1 3 385.596 4.000 20 0 GHADHO CCN1CCN(c2cccc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC001474461765 1074416734 /nfs/dbraw/zinc/41/67/34/1074416734.db2.gz USOOWFWLFQLXAF-HSZRJFAPSA-N 1 3 378.564 3.905 20 0 GHADHO CCN1CCN(c2cccc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC001474461765 1074416740 /nfs/dbraw/zinc/41/67/40/1074416740.db2.gz USOOWFWLFQLXAF-HSZRJFAPSA-N 1 3 378.564 3.905 20 0 GHADHO Cc1ccc([C@@H](C)CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001474515692 1074443897 /nfs/dbraw/zinc/44/38/97/1074443897.db2.gz YKBJYVQXCMLULH-WIOPSUGQSA-N 1 3 377.576 3.991 20 0 GHADHO Cc1ccc([C@@H](C)CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001474515692 1074443901 /nfs/dbraw/zinc/44/39/01/1074443901.db2.gz YKBJYVQXCMLULH-WIOPSUGQSA-N 1 3 377.576 3.991 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3cc(C)cc(Br)c3)CC2)CC1 ZINC001474586483 1074472438 /nfs/dbraw/zinc/47/24/38/1074472438.db2.gz RAFFUZXSRUJASQ-UHFFFAOYSA-N 1 3 394.401 3.750 20 0 GHADHO Cc1nc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)sc1-c1ccccc1 ZINC001475940642 1075053765 /nfs/dbraw/zinc/05/37/65/1075053765.db2.gz SXJXHWLHWYATNB-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO Cc1nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc1-c1ccccc1 ZINC001475940642 1075053768 /nfs/dbraw/zinc/05/37/68/1075053768.db2.gz SXJXHWLHWYATNB-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO C[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001546208491 1075069337 /nfs/dbraw/zinc/06/93/37/1075069337.db2.gz PQGZXONOGLYSBJ-GHTZIAJQSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001546208491 1075069339 /nfs/dbraw/zinc/06/93/39/1075069339.db2.gz PQGZXONOGLYSBJ-GHTZIAJQSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000820704549 606915202 /nfs/dbraw/zinc/91/52/02/606915202.db2.gz OPGZHQCYCACYHK-ZWKOTPCHSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000820704549 606915206 /nfs/dbraw/zinc/91/52/06/606915206.db2.gz OPGZHQCYCACYHK-ZWKOTPCHSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000820704549 606915208 /nfs/dbraw/zinc/91/52/08/606915208.db2.gz OPGZHQCYCACYHK-ZWKOTPCHSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000820704549 606915210 /nfs/dbraw/zinc/91/52/10/606915210.db2.gz OPGZHQCYCACYHK-ZWKOTPCHSA-N 1 3 382.556 3.904 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414393247 837679785 /nfs/dbraw/zinc/67/97/85/837679785.db2.gz NLQPELAZFJDYQR-VGOFRKELSA-N 1 3 388.531 3.546 20 0 GHADHO C[C@H]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CCN1Cc1ccccc1 ZINC000275592552 837680381 /nfs/dbraw/zinc/68/03/81/837680381.db2.gz FUNHSGICDKNPIP-FQEVSTJZSA-N 1 3 394.563 3.919 20 0 GHADHO Cc1cccc(NC(=O)[C@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821432 834689121 /nfs/dbraw/zinc/68/91/21/834689121.db2.gz FFHVJMJEASDTFB-IBGZPJMESA-N 1 3 380.536 3.956 20 0 GHADHO CCCCOc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000650722657 834690926 /nfs/dbraw/zinc/69/09/26/834690926.db2.gz YSLMYXGLSZEKOP-ZVDOUQERSA-N 1 3 376.541 3.735 20 0 GHADHO Clc1ccc2c(c1)nccc2NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000139357500 834736173 /nfs/dbraw/zinc/73/61/73/834736173.db2.gz SZWWRRAJGIJNLK-UHFFFAOYSA-N 1 3 381.911 3.907 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655749880 837812045 /nfs/dbraw/zinc/81/20/45/837812045.db2.gz JJDXUKQSUUNONK-NRFANRHFSA-N 1 3 389.609 3.599 20 0 GHADHO CN(Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000510068765 834831590 /nfs/dbraw/zinc/83/15/90/834831590.db2.gz CQOSGJNDUCWMDF-IRLDBZIGSA-N 1 3 392.609 3.897 20 0 GHADHO O=C(NC1CC1)c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000685443011 835014029 /nfs/dbraw/zinc/01/40/29/835014029.db2.gz HJBYGPCJIQMHJE-VWLOTQADSA-N 1 3 389.543 3.677 20 0 GHADHO O=C(NC1CC1)c1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000685443011 835014038 /nfs/dbraw/zinc/01/40/38/835014038.db2.gz HJBYGPCJIQMHJE-VWLOTQADSA-N 1 3 389.543 3.677 20 0 GHADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000685528456 835111157 /nfs/dbraw/zinc/11/11/57/835111157.db2.gz CBWCWWBSPMVEIS-GOSISDBHSA-N 1 3 392.613 3.520 20 0 GHADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000685528456 835111163 /nfs/dbraw/zinc/11/11/63/835111163.db2.gz CBWCWWBSPMVEIS-GOSISDBHSA-N 1 3 392.613 3.520 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]([C@H]4CCCC4(C)C)C3)CC2)CC1 ZINC000655160288 835316398 /nfs/dbraw/zinc/31/63/98/835316398.db2.gz OQKZLGLNTRJWGC-IFMALSPDSA-N 1 3 389.628 3.858 20 0 GHADHO COc1cc2ccc([C@H](C)[NH2+]CCN3CCN(C)C(C)(C)C3)cc2cc1OC ZINC000658003933 835368825 /nfs/dbraw/zinc/36/88/25/835368825.db2.gz WAIPCERZQBCMMB-KRWDZBQOSA-N 1 3 385.552 3.534 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141749 835452233 /nfs/dbraw/zinc/45/22/33/835452233.db2.gz UKYQAUQOGXOQBC-FPOVZHCZSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141749 835452236 /nfs/dbraw/zinc/45/22/36/835452236.db2.gz UKYQAUQOGXOQBC-FPOVZHCZSA-N 1 3 386.923 3.910 20 0 GHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658139479 835465703 /nfs/dbraw/zinc/46/57/03/835465703.db2.gz LUAXWGRDXXUNBK-GMAHTHKFSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658139479 835465705 /nfs/dbraw/zinc/46/57/05/835465705.db2.gz LUAXWGRDXXUNBK-GMAHTHKFSA-N 1 3 380.532 3.874 20 0 GHADHO O[C@H](CNC1CC[NH+](C2CCC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000584346644 835899872 /nfs/dbraw/zinc/89/98/72/835899872.db2.gz UZOINCHFNMQUKG-HXUWFJFHSA-N 1 3 377.532 3.762 20 0 GHADHO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)cn2)n1 ZINC000548483933 844148473 /nfs/dbraw/zinc/14/84/73/844148473.db2.gz FGMSTGSAGCIAGC-OFNKIYASSA-N 1 3 389.547 3.884 20 0 GHADHO CC[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000413791191 836339530 /nfs/dbraw/zinc/33/95/30/836339530.db2.gz LEFDGRDDGPWMHC-FPVZDTGUSA-N 1 3 377.960 3.710 20 0 GHADHO CC[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000413791191 836339541 /nfs/dbraw/zinc/33/95/41/836339541.db2.gz LEFDGRDDGPWMHC-FPVZDTGUSA-N 1 3 377.960 3.710 20 0 GHADHO CCCOc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1OC ZINC000093735114 844193248 /nfs/dbraw/zinc/19/32/48/844193248.db2.gz BWICGQWMKIMRAA-UHFFFAOYSA-N 1 3 376.541 3.561 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000151005897 844221939 /nfs/dbraw/zinc/22/19/39/844221939.db2.gz IEWXXGBFLYWKOE-KRWDZBQOSA-N 1 3 379.976 3.961 20 0 GHADHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1OC(F)F ZINC000414309005 837028288 /nfs/dbraw/zinc/02/82/88/837028288.db2.gz RGFRKIRNRAFAQT-KRWDZBQOSA-N 1 3 390.474 3.966 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1OC(F)F ZINC000414309005 837028296 /nfs/dbraw/zinc/02/82/96/837028296.db2.gz RGFRKIRNRAFAQT-KRWDZBQOSA-N 1 3 390.474 3.966 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(OC(F)F)c1 ZINC000414311759 837044469 /nfs/dbraw/zinc/04/44/69/837044469.db2.gz VGIOUJNIZQPOBH-QGZVFWFLSA-N 1 3 390.474 3.966 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1 ZINC000659031176 837315858 /nfs/dbraw/zinc/31/58/58/837315858.db2.gz KUVXCGKIGDLZID-JOCHJYFZSA-N 1 3 396.535 3.511 20 0 GHADHO CCOC1CC(CN2CCCC3(CCC[N@H+](CC4CC(OCC)C4)C3)C2)C1 ZINC000377723358 837837032 /nfs/dbraw/zinc/83/70/32/837837032.db2.gz LAQJZCFDGUKUER-UHFFFAOYSA-N 1 3 378.601 3.795 20 0 GHADHO CCOC1CC(CN2CCCC3(CCC[N@@H+](CC4CC(OCC)C4)C3)C2)C1 ZINC000377723358 837837039 /nfs/dbraw/zinc/83/70/39/837837039.db2.gz LAQJZCFDGUKUER-UHFFFAOYSA-N 1 3 378.601 3.795 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000051236033 837941624 /nfs/dbraw/zinc/94/16/24/837941624.db2.gz PZVNRAVQZBCKPP-UHFFFAOYSA-N 1 3 385.339 3.674 20 0 GHADHO Cc1ccccc1NC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177503231 837985936 /nfs/dbraw/zinc/98/59/36/837985936.db2.gz KMJJENNPVFIIJF-WOJBJXKFSA-N 1 3 387.568 3.535 20 0 GHADHO C[C@H]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000415955385 838316684 /nfs/dbraw/zinc/31/66/84/838316684.db2.gz MFDZXBVLIITULL-KRWDZBQOSA-N 1 3 396.510 3.600 20 0 GHADHO CN1CC[C@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000415973082 838331117 /nfs/dbraw/zinc/33/11/17/838331117.db2.gz PZYYYVFIVZWQAM-ZWKOTPCHSA-N 1 3 392.425 3.731 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1)C(C)C ZINC000659368642 838333416 /nfs/dbraw/zinc/33/34/16/838333416.db2.gz MKHPWBDMSLWRFT-QFIPXVFZSA-N 1 3 381.520 3.830 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1)C(C)C ZINC000659368642 838333427 /nfs/dbraw/zinc/33/34/27/838333427.db2.gz MKHPWBDMSLWRFT-QFIPXVFZSA-N 1 3 381.520 3.830 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)N2CCCC2)cc1 ZINC000659444462 838396189 /nfs/dbraw/zinc/39/61/89/838396189.db2.gz AUJSSXCQYKMGNI-PKTZIBPZSA-N 1 3 398.595 3.553 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)c(C)c2)CC1 ZINC000416125220 838591237 /nfs/dbraw/zinc/59/12/37/838591237.db2.gz PFHRLMYXAGIRTG-QHCPKHFHSA-N 1 3 394.563 3.768 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000312143764 838944041 /nfs/dbraw/zinc/94/40/41/838944041.db2.gz WRQZXDCGTSQYKS-WTGUMLROSA-N 1 3 379.589 3.876 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000312143761 838944209 /nfs/dbraw/zinc/94/42/09/838944209.db2.gz WRQZXDCGTSQYKS-IYWMVGAKSA-N 1 3 379.589 3.876 20 0 GHADHO FC(F)(F)c1ccn(-c2ccc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000415059075 839130177 /nfs/dbraw/zinc/13/01/77/839130177.db2.gz WNGCSGOGUQUSCC-AEFFLSMTSA-N 1 3 378.442 3.855 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000460349091 839211096 /nfs/dbraw/zinc/21/10/96/839211096.db2.gz QRNCCFWRBDEDAI-QZTJIDSGSA-N 1 3 399.966 3.702 20 0 GHADHO COc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OCCC(C)C ZINC000415119430 839232352 /nfs/dbraw/zinc/23/23/52/839232352.db2.gz FIVYOZHHTIGBGE-IRLDBZIGSA-N 1 3 390.568 3.838 20 0 GHADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000471598330 839862407 /nfs/dbraw/zinc/86/24/07/839862407.db2.gz VUEIVUFPQJSLBG-OALUTQOASA-N 1 3 385.552 3.696 20 0 GHADHO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000580705300 840029358 /nfs/dbraw/zinc/02/93/58/840029358.db2.gz SPQAEGHUUKLJTP-OFNKIYASSA-N 1 3 394.559 3.842 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1cccc(OC)c1 ZINC000416928358 840287402 /nfs/dbraw/zinc/28/74/02/840287402.db2.gz UTRLJPSZKOIZHE-VGOFRKELSA-N 1 3 398.551 3.597 20 0 GHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000500410053 840404126 /nfs/dbraw/zinc/40/41/26/840404126.db2.gz OHJBYONTADUAEU-NFBKMPQASA-N 1 3 399.579 3.603 20 0 GHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000500410053 840404135 /nfs/dbraw/zinc/40/41/35/840404135.db2.gz OHJBYONTADUAEU-NFBKMPQASA-N 1 3 399.579 3.603 20 0 GHADHO CCC1(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCN(Cc2ccccc2)CC1 ZINC000511808668 840828024 /nfs/dbraw/zinc/82/80/24/840828024.db2.gz PIMHJFYLFQUDNH-RTWAWAEBSA-N 1 3 392.609 3.624 20 0 GHADHO O=C(CC[NH+]1CCC(NCc2ccccc2)CC1)N1CCCc2ccccc21 ZINC000660675045 841089142 /nfs/dbraw/zinc/08/91/42/841089142.db2.gz FVRBICWSBZJJIO-UHFFFAOYSA-N 1 3 377.532 3.610 20 0 GHADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000126487268 841151329 /nfs/dbraw/zinc/15/13/29/841151329.db2.gz PZBLFGRUWNDPPV-QFIPXVFZSA-N 1 3 395.551 3.662 20 0 GHADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000126487268 841151338 /nfs/dbraw/zinc/15/13/38/841151338.db2.gz PZBLFGRUWNDPPV-QFIPXVFZSA-N 1 3 395.551 3.662 20 0 GHADHO CN(Cc1ccc2ccccc2c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759494 844615409 /nfs/dbraw/zinc/61/54/09/844615409.db2.gz ZQOTULKEMPXYJJ-UHFFFAOYSA-N 1 3 394.563 3.540 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000660338896 841451037 /nfs/dbraw/zinc/45/10/37/841451037.db2.gz MOOSPVXSVYLDFA-UYAOXDASSA-N 1 3 392.613 3.552 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000660338896 841451041 /nfs/dbraw/zinc/45/10/41/841451041.db2.gz MOOSPVXSVYLDFA-UYAOXDASSA-N 1 3 392.613 3.552 20 0 GHADHO COc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc(C(F)(F)F)c1 ZINC000623563949 861207694 /nfs/dbraw/zinc/20/76/94/861207694.db2.gz ODWFLJSZDJCHEC-IBGZPJMESA-N 1 3 394.437 3.570 20 0 GHADHO COc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc(C(F)(F)F)c1 ZINC000623563949 861207703 /nfs/dbraw/zinc/20/77/03/861207703.db2.gz ODWFLJSZDJCHEC-IBGZPJMESA-N 1 3 394.437 3.570 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000418194890 841635880 /nfs/dbraw/zinc/63/58/80/841635880.db2.gz GBTSITTYSVEYDL-VGSWGCGISA-N 1 3 398.551 3.596 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)CC2)CC1 ZINC000581616353 841790053 /nfs/dbraw/zinc/79/00/53/841790053.db2.gz JYRUZHSDNXOMJR-IBGZPJMESA-N 1 3 397.485 3.603 20 0 GHADHO CCCOc1ccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000512182335 842804258 /nfs/dbraw/zinc/80/42/58/842804258.db2.gz RNCTZOLFBPNISZ-OALUTQOASA-N 1 3 390.568 3.805 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNC(=O)c3cc4c(s3)CCNC4)cc2)CC1 ZINC000662375087 843174867 /nfs/dbraw/zinc/17/48/67/843174867.db2.gz REWMPNBIWZKJNU-UHFFFAOYSA-N 1 3 383.561 3.556 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466837 843664778 /nfs/dbraw/zinc/66/47/78/843664778.db2.gz ALEATDDTZJDNDK-NVXWUHKLSA-N 1 3 393.959 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466837 843664781 /nfs/dbraw/zinc/66/47/81/843664781.db2.gz ALEATDDTZJDNDK-NVXWUHKLSA-N 1 3 393.959 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466837 843664783 /nfs/dbraw/zinc/66/47/83/843664783.db2.gz ALEATDDTZJDNDK-NVXWUHKLSA-N 1 3 393.959 3.777 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469190 843667773 /nfs/dbraw/zinc/66/77/73/843667773.db2.gz OXYMHBJKCQZYDJ-HKUYNNGSSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469190 843667778 /nfs/dbraw/zinc/66/77/78/843667778.db2.gz OXYMHBJKCQZYDJ-HKUYNNGSSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469190 843667782 /nfs/dbraw/zinc/66/77/82/843667782.db2.gz OXYMHBJKCQZYDJ-HKUYNNGSSA-N 1 3 391.987 3.789 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000433197831 843818395 /nfs/dbraw/zinc/81/83/95/843818395.db2.gz UMWCCHCAIDALBZ-JOCHJYFZSA-N 1 3 392.591 3.835 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237479314 843946306 /nfs/dbraw/zinc/94/63/06/843946306.db2.gz VZYWUTMEIILHGY-LAUBAEHRSA-N 1 3 383.561 3.818 20 0 GHADHO C[C@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512704107 845099233 /nfs/dbraw/zinc/09/92/33/845099233.db2.gz WVZWDJRZMXITKN-FPOVZHCZSA-N 1 3 392.632 3.793 20 0 GHADHO C[C@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512704107 845099241 /nfs/dbraw/zinc/09/92/41/845099241.db2.gz WVZWDJRZMXITKN-FPOVZHCZSA-N 1 3 392.632 3.793 20 0 GHADHO C[C@H](C(=O)Nc1cccc(F)c1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391555 861561371 /nfs/dbraw/zinc/56/13/71/861561371.db2.gz ZDDMLQABHGJYCC-QGZVFWFLSA-N 1 3 384.499 3.786 20 0 GHADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC1 ZINC000513416727 845412880 /nfs/dbraw/zinc/41/28/80/845412880.db2.gz WFSCFQBTOGUOON-JOCHJYFZSA-N 1 3 389.547 3.625 20 0 GHADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC1 ZINC000513416727 845412907 /nfs/dbraw/zinc/41/29/07/845412907.db2.gz WFSCFQBTOGUOON-JOCHJYFZSA-N 1 3 389.547 3.625 20 0 GHADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000513416729 845413020 /nfs/dbraw/zinc/41/30/20/845413020.db2.gz WFSCFQBTOGUOON-QFIPXVFZSA-N 1 3 389.547 3.625 20 0 GHADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000513416729 845413027 /nfs/dbraw/zinc/41/30/27/845413027.db2.gz WFSCFQBTOGUOON-QFIPXVFZSA-N 1 3 389.547 3.625 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000249299165 845532957 /nfs/dbraw/zinc/53/29/57/845532957.db2.gz RTTIXLFHHUPFGB-BJKOFHAPSA-N 1 3 387.612 3.771 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000249299165 845532968 /nfs/dbraw/zinc/53/29/68/845532968.db2.gz RTTIXLFHHUPFGB-BJKOFHAPSA-N 1 3 387.612 3.771 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433948975 845648404 /nfs/dbraw/zinc/64/84/04/845648404.db2.gz HYDDUMXDSRIKCN-HSZRJFAPSA-N 1 3 398.595 3.557 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433948975 845648405 /nfs/dbraw/zinc/64/84/05/845648405.db2.gz HYDDUMXDSRIKCN-HSZRJFAPSA-N 1 3 398.595 3.557 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCCc4sccc43)c2)C1 ZINC000156937812 845763965 /nfs/dbraw/zinc/76/39/65/845763965.db2.gz XLLGXBHNGRYJFX-UYAOXDASSA-N 1 3 383.561 3.613 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCCc4sccc43)c2)C1 ZINC000156937812 845763972 /nfs/dbraw/zinc/76/39/72/845763972.db2.gz XLLGXBHNGRYJFX-UYAOXDASSA-N 1 3 383.561 3.613 20 0 GHADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000179510356 861610146 /nfs/dbraw/zinc/61/01/46/861610146.db2.gz SWPIDIFPSRVYOS-AWEZNQCLSA-N 1 3 378.314 3.635 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000072092408 846408135 /nfs/dbraw/zinc/40/81/35/846408135.db2.gz SARZMWFXSUBNHF-QHCPKHFHSA-N 1 3 379.548 3.761 20 0 GHADHO c1cc(OCC[NH+]2CCCC2)ccc1CNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657357473 846499245 /nfs/dbraw/zinc/49/92/45/846499245.db2.gz ORPHAVRUGCILHJ-XMMPIXPASA-N 1 3 396.531 3.619 20 0 GHADHO c1cc(OCC[NH+]2CCCC2)ccc1CNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657357472 846499563 /nfs/dbraw/zinc/49/95/63/846499563.db2.gz ORPHAVRUGCILHJ-DEOSSOPVSA-N 1 3 396.531 3.619 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000501011910 846539998 /nfs/dbraw/zinc/53/99/98/846539998.db2.gz SVFRCXCIEXURNC-LJQANCHMSA-N 1 3 383.502 3.911 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000501011910 846540009 /nfs/dbraw/zinc/54/00/09/846540009.db2.gz SVFRCXCIEXURNC-LJQANCHMSA-N 1 3 383.502 3.911 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@H](COc2ccccc2F)C(C)(C)C)CC1 ZINC000501038924 846585010 /nfs/dbraw/zinc/58/50/10/846585010.db2.gz ZLZIEAUNBLAKCC-OAQYLSRUSA-N 1 3 379.564 3.625 20 0 GHADHO CC(C)c1ccccc1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053963 846604132 /nfs/dbraw/zinc/60/41/32/846604132.db2.gz PCGSUYDLMAQJQR-UHFFFAOYSA-N 1 3 380.536 3.992 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000481559849 861719681 /nfs/dbraw/zinc/71/96/81/861719681.db2.gz HBKBHFKDBFGSDK-LAUBAEHRSA-N 1 3 388.531 3.546 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000481559849 861719696 /nfs/dbraw/zinc/71/96/96/861719696.db2.gz HBKBHFKDBFGSDK-LAUBAEHRSA-N 1 3 388.531 3.546 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000481559849 861719700 /nfs/dbraw/zinc/71/97/00/861719700.db2.gz HBKBHFKDBFGSDK-LAUBAEHRSA-N 1 3 388.531 3.546 20 0 GHADHO Cc1ncsc1-c1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000657400802 846953153 /nfs/dbraw/zinc/95/31/53/846953153.db2.gz OGELLUHXJNJIPF-RTWAWAEBSA-N 1 3 385.577 3.976 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272293597 847039784 /nfs/dbraw/zinc/03/97/84/847039784.db2.gz FQMMWDJCDFTKLX-WAOWUJCRSA-N 1 3 377.532 3.767 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272293597 847039795 /nfs/dbraw/zinc/03/97/95/847039795.db2.gz FQMMWDJCDFTKLX-WAOWUJCRSA-N 1 3 377.532 3.767 20 0 GHADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000501663272 847083742 /nfs/dbraw/zinc/08/37/42/847083742.db2.gz AUSQKLSTLHGSRZ-SFTDATJTSA-N 1 3 397.567 3.744 20 0 GHADHO C[C@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1cccc(-n2cnnn2)c1 ZINC000125051496 847138494 /nfs/dbraw/zinc/13/84/94/847138494.db2.gz QRMKHHJNJPPKKA-IBGZPJMESA-N 1 3 390.535 3.889 20 0 GHADHO CCN1CCN(c2ccccc2N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000179776121 861771947 /nfs/dbraw/zinc/77/19/47/861771947.db2.gz LHWYFTHMHSGHBS-HXUWFJFHSA-N 1 3 396.579 3.942 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000237103447 847328553 /nfs/dbraw/zinc/32/85/53/847328553.db2.gz JYYBGDMZCGRUAB-UHFFFAOYSA-N 1 3 380.536 3.579 20 0 GHADHO Brc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422703667 847775361 /nfs/dbraw/zinc/77/53/61/847775361.db2.gz IHOCCLLIZTYLFN-CIRFHOKZSA-N 1 3 378.358 3.538 20 0 GHADHO C[C@@H](CCCC[NH3+])N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422798786 847827651 /nfs/dbraw/zinc/82/76/51/847827651.db2.gz SVUWCJSWKCOXAW-MGPUTAFESA-N 1 3 394.968 3.940 20 0 GHADHO CCCC(=O)Nc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422876349 847863767 /nfs/dbraw/zinc/86/37/67/847863767.db2.gz GFYYIBYLCZBYTM-NFBKMPQASA-N 1 3 379.504 3.771 20 0 GHADHO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)cc1 ZINC000422881482 847867733 /nfs/dbraw/zinc/86/77/33/847867733.db2.gz NVEAKWZCEUXNIZ-YADHBBJMSA-N 1 3 381.520 3.762 20 0 GHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2Nc1cccc(CN2CCSCC2)c1 ZINC000422957894 847915801 /nfs/dbraw/zinc/91/58/01/847915801.db2.gz VVQQTXSPGAAPPJ-GGAORHGYSA-N 1 3 395.572 3.903 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN1Cc1ccccc1 ZINC000657613258 848326824 /nfs/dbraw/zinc/32/68/24/848326824.db2.gz JSHNLMRFDPHSFD-YKSBVNFPSA-N 1 3 378.564 3.546 20 0 GHADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423130190 849752130 /nfs/dbraw/zinc/75/21/30/849752130.db2.gz MVIXDMYDYGNWIS-ZIPUMODLSA-N 1 3 388.939 3.940 20 0 GHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(I)cc1 ZINC000423362972 849885819 /nfs/dbraw/zinc/88/58/19/849885819.db2.gz UIOYRKAQEILWJM-LBPRGKRZSA-N 1 3 378.257 3.745 20 0 GHADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(SCC(F)F)cc1 ZINC000423403663 849909679 /nfs/dbraw/zinc/90/96/79/849909679.db2.gz ZHGYHQAFTCOCJN-IUODEOHRSA-N 1 3 397.457 3.531 20 0 GHADHO CC(=O)NCCc1ccc([C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000423478722 849940986 /nfs/dbraw/zinc/94/09/86/849940986.db2.gz UMBDJVKEQMIZOD-OZWPHOJSSA-N 1 3 397.538 3.548 20 0 GHADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749968 849972652 /nfs/dbraw/zinc/97/26/52/849972652.db2.gz QHJBIQYIOURINU-CABCVRRESA-N 1 3 386.367 3.964 20 0 GHADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749968 849972660 /nfs/dbraw/zinc/97/26/60/849972660.db2.gz QHJBIQYIOURINU-CABCVRRESA-N 1 3 386.367 3.964 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000600473392 862086947 /nfs/dbraw/zinc/08/69/47/862086947.db2.gz DWCQBHCAMPLXPG-OAQYLSRUSA-N 1 3 389.559 3.810 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743182 850225247 /nfs/dbraw/zinc/22/52/47/850225247.db2.gz UHUIBKHHBNVZAP-DHIUTWEWSA-N 1 3 396.531 3.671 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743182 850225252 /nfs/dbraw/zinc/22/52/52/850225252.db2.gz UHUIBKHHBNVZAP-DHIUTWEWSA-N 1 3 396.531 3.671 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743185 850225286 /nfs/dbraw/zinc/22/52/86/850225286.db2.gz UHUIBKHHBNVZAP-XZOQPEGZSA-N 1 3 396.531 3.671 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743185 850225295 /nfs/dbraw/zinc/22/52/95/850225295.db2.gz UHUIBKHHBNVZAP-XZOQPEGZSA-N 1 3 396.531 3.671 20 0 GHADHO C[C@H]1CC2(CN1CC(=O)Nc1ccccc1Cc1ccccc1)CC[NH2+]CC2 ZINC000424302038 850371374 /nfs/dbraw/zinc/37/13/74/850371374.db2.gz YUESZZBTWQJQTQ-IBGZPJMESA-N 1 3 377.532 3.680 20 0 GHADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC000424426154 850460711 /nfs/dbraw/zinc/46/07/11/850460711.db2.gz LUHHWXMKXACUPM-OAQYLSRUSA-N 1 3 384.524 3.665 20 0 GHADHO C[NH2+]CC1CCN(Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000435395902 850479726 /nfs/dbraw/zinc/47/97/26/850479726.db2.gz VWNFSCMCLDRVIT-UHFFFAOYSA-N 1 3 384.520 3.714 20 0 GHADHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc(Br)c1OC(F)F ZINC000414812156 850681723 /nfs/dbraw/zinc/68/17/23/850681723.db2.gz WXULFZRVAMNRAT-WCQYABFASA-N 1 3 393.272 3.666 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCN1Cc1ccccc1 ZINC000487782209 850886816 /nfs/dbraw/zinc/88/68/16/850886816.db2.gz LIGRDNNNQIOEHI-XXBNENTESA-N 1 3 398.595 3.603 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000440187036 850895475 /nfs/dbraw/zinc/89/54/75/850895475.db2.gz CBZYZNUGSKYRGT-KWVXMBPFSA-N 1 3 390.616 3.544 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000440187036 850895487 /nfs/dbraw/zinc/89/54/87/850895487.db2.gz CBZYZNUGSKYRGT-KWVXMBPFSA-N 1 3 390.616 3.544 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccsc1 ZINC000487862985 850940661 /nfs/dbraw/zinc/94/06/61/850940661.db2.gz VEWPXBVKJIIQJG-PXNSSMCTSA-N 1 3 392.613 3.647 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccsc1 ZINC000487862985 850940667 /nfs/dbraw/zinc/94/06/67/850940667.db2.gz VEWPXBVKJIIQJG-PXNSSMCTSA-N 1 3 392.613 3.647 20 0 GHADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000515475645 851074532 /nfs/dbraw/zinc/07/45/32/851074532.db2.gz CEXARHSNNKIWOB-FCHUYYIVSA-N 1 3 383.536 3.748 20 0 GHADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000514005643 851135641 /nfs/dbraw/zinc/13/56/41/851135641.db2.gz OGSAZFWUPKCXEL-UHFFFAOYSA-N 1 3 382.346 3.582 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000514139309 851304786 /nfs/dbraw/zinc/30/47/86/851304786.db2.gz YSPGIVWSDZCPTG-IFMALSPDSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000514214400 851395929 /nfs/dbraw/zinc/39/59/29/851395929.db2.gz MYMMQPGMNDRKNP-FPOVZHCZSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000514214400 851395940 /nfs/dbraw/zinc/39/59/40/851395940.db2.gz MYMMQPGMNDRKNP-FPOVZHCZSA-N 1 3 386.584 3.633 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000101604336 851724074 /nfs/dbraw/zinc/72/40/74/851724074.db2.gz MPHCEQWMXFDTAG-UHFFFAOYSA-N 1 3 394.563 3.921 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000101604336 851724078 /nfs/dbraw/zinc/72/40/78/851724078.db2.gz MPHCEQWMXFDTAG-UHFFFAOYSA-N 1 3 394.563 3.921 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000489185179 852099156 /nfs/dbraw/zinc/09/91/56/852099156.db2.gz NUNZKNNXSJFWQY-CVDCTZTESA-N 1 3 394.563 3.601 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000489185179 852099159 /nfs/dbraw/zinc/09/91/59/852099159.db2.gz NUNZKNNXSJFWQY-CVDCTZTESA-N 1 3 394.563 3.601 20 0 GHADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000438549989 852561512 /nfs/dbraw/zinc/56/15/12/852561512.db2.gz HHHZTHLHRVPWHC-HSZRJFAPSA-N 1 3 383.580 3.561 20 0 GHADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000438549989 852561526 /nfs/dbraw/zinc/56/15/26/852561526.db2.gz HHHZTHLHRVPWHC-HSZRJFAPSA-N 1 3 383.580 3.561 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414904866 853137887 /nfs/dbraw/zinc/13/78/87/853137887.db2.gz MIDMYTQYGXFMGS-VXGBXAGGSA-N 1 3 377.838 3.808 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C[C@@H](C)O1 ZINC000427540473 853200058 /nfs/dbraw/zinc/20/00/58/853200058.db2.gz MSNOVPXDHZWYNP-RKVPGOIHSA-N 1 3 385.474 3.957 20 0 GHADHO COc1ccc([C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C2CC2)cn1 ZINC000623845150 862445095 /nfs/dbraw/zinc/44/50/95/862445095.db2.gz WTOCLDJRXPMPSM-QHCPKHFHSA-N 1 3 381.520 3.806 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425912001 853577147 /nfs/dbraw/zinc/57/71/47/853577147.db2.gz CWPQFDBXZTULLD-QFIPXVFZSA-N 1 3 386.971 3.636 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000458890267 854467234 /nfs/dbraw/zinc/46/72/34/854467234.db2.gz JXRXIDDTQSFDLY-AZUAARDMSA-N 1 3 392.613 3.527 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000458890267 854467243 /nfs/dbraw/zinc/46/72/43/854467243.db2.gz JXRXIDDTQSFDLY-AZUAARDMSA-N 1 3 392.613 3.527 20 0 GHADHO CSc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000458890271 854467737 /nfs/dbraw/zinc/46/77/37/854467737.db2.gz JXRXIDDTQSFDLY-QUCCMNQESA-N 1 3 392.613 3.527 20 0 GHADHO CSc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000458890271 854467740 /nfs/dbraw/zinc/46/77/40/854467740.db2.gz JXRXIDDTQSFDLY-QUCCMNQESA-N 1 3 392.613 3.527 20 0 GHADHO O[C@@H](CN1CC[C@H](C[NH+]2CCCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000441462506 855016873 /nfs/dbraw/zinc/01/68/73/855016873.db2.gz IQUWYBBBPAAISO-RTWAWAEBSA-N 1 3 391.559 3.963 20 0 GHADHO O[C@H](Cn1c2ccccc2c2ccccc21)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000441462506 855016880 /nfs/dbraw/zinc/01/68/80/855016880.db2.gz IQUWYBBBPAAISO-RTWAWAEBSA-N 1 3 391.559 3.963 20 0 GHADHO O[C@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000441462506 855016885 /nfs/dbraw/zinc/01/68/85/855016885.db2.gz IQUWYBBBPAAISO-RTWAWAEBSA-N 1 3 391.559 3.963 20 0 GHADHO COc1ccc([C@@H]2C[C@H](N3CCC([NH3+])(c4ccccc4OC)CC3)CCO2)cc1 ZINC001168616722 855057029 /nfs/dbraw/zinc/05/70/29/855057029.db2.gz OCHBSLFCGLVUCL-XXBNENTESA-N 1 3 396.531 3.874 20 0 GHADHO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000590778132 855579379 /nfs/dbraw/zinc/57/93/79/855579379.db2.gz GALUTXXWANSDEA-MTPWMDRRSA-N 1 3 382.573 3.957 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1F ZINC000180977522 862700005 /nfs/dbraw/zinc/70/00/05/862700005.db2.gz CVLXZBDXPLFOJY-QGZVFWFLSA-N 1 3 399.510 3.511 20 0 GHADHO CCSc1ccccc1[C@@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180995675 862709992 /nfs/dbraw/zinc/70/99/92/862709992.db2.gz FITRHRCBXWAQGE-QGZVFWFLSA-N 1 3 385.577 3.941 20 0 GHADHO CC[NH+](CC)[C@H](C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000591101381 855775193 /nfs/dbraw/zinc/77/51/93/855775193.db2.gz MZVLDOUPTMGKFQ-IRLDBZIGSA-N 1 3 383.536 3.924 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000765889271 855909208 /nfs/dbraw/zinc/90/92/08/855909208.db2.gz YKYIEWBJWNYVBN-RQJJNDFQSA-N 1 3 398.595 3.603 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000674031104 862751649 /nfs/dbraw/zinc/75/16/49/862751649.db2.gz QFWNMVVWBIBHFE-HSZRJFAPSA-N 1 3 398.595 3.920 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000465826726 856153476 /nfs/dbraw/zinc/15/34/76/856153476.db2.gz QJGLMAWRHCGZNA-FGZHOGPDSA-N 1 3 386.584 3.648 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000465826726 856153479 /nfs/dbraw/zinc/15/34/79/856153479.db2.gz QJGLMAWRHCGZNA-FGZHOGPDSA-N 1 3 386.584 3.648 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2)C[C@H](C)N1Cc1ccccc1 ZINC001168008233 856263257 /nfs/dbraw/zinc/26/32/57/856263257.db2.gz DFOBAOIETHVDHJ-JHDGKUDLSA-N 1 3 379.548 3.676 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000060368405 856282291 /nfs/dbraw/zinc/28/22/91/856282291.db2.gz RXTKCNQZZBCPCH-HDICACEKSA-N 1 3 380.960 3.930 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000485464997 856608793 /nfs/dbraw/zinc/60/87/93/856608793.db2.gz MVJGLMHETMQTGX-IBGZPJMESA-N 1 3 390.597 3.545 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1(N)CCCC1 ZINC000665246563 856792419 /nfs/dbraw/zinc/79/24/19/856792419.db2.gz IWTZOHVDFYXOLH-NSHDSACASA-N 1 3 377.838 3.937 20 0 GHADHO COC(=O)c1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000592492330 856898465 /nfs/dbraw/zinc/89/84/65/856898465.db2.gz YMTQNGZNWOMJSU-RTBURBONSA-N 1 3 399.560 3.808 20 0 GHADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000665255749 857069577 /nfs/dbraw/zinc/06/95/77/857069577.db2.gz AHLDIOYRYPNJMM-CQLNOVPUSA-N 1 3 390.531 3.986 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000181414582 862868823 /nfs/dbraw/zinc/86/88/23/862868823.db2.gz LFUYCEICXPVSLX-KYNGSXCRSA-N 1 3 381.358 3.868 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](O)COCc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012218 857371578 /nfs/dbraw/zinc/37/15/78/857371578.db2.gz YCHOXMZGSXDHBU-WNXIRNOKSA-N 1 3 382.548 3.595 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](O)COCc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012218 857371595 /nfs/dbraw/zinc/37/15/95/857371595.db2.gz YCHOXMZGSXDHBU-WNXIRNOKSA-N 1 3 382.548 3.595 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)N(C)C)cc1 ZINC000520901823 857389397 /nfs/dbraw/zinc/38/93/97/857389397.db2.gz IMIMDUDOHDALKC-FGZHOGPDSA-N 1 3 382.552 3.508 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000669483514 857478551 /nfs/dbraw/zinc/47/85/51/857478551.db2.gz ABKKHBSRXXXQGX-GCJKJVERSA-N 1 3 380.536 3.733 20 0 GHADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483908 857501198 /nfs/dbraw/zinc/50/11/98/857501198.db2.gz SCOUGZJYGPLPIV-VXKWHMMOSA-N 1 3 398.595 3.633 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000486225186 857553099 /nfs/dbraw/zinc/55/30/99/857553099.db2.gz BQGOWEDTFORRML-UNMCSNQZSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000486225186 857553107 /nfs/dbraw/zinc/55/31/07/857553107.db2.gz BQGOWEDTFORRML-UNMCSNQZSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3cc(Br)ccc32)C[C@H](C)O1 ZINC000675783388 857611390 /nfs/dbraw/zinc/61/13/90/857611390.db2.gz HEABVZZQZJJCMN-ZRGWGRIASA-N 1 3 381.358 3.915 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(SC)ccc3C)CC2)CC1 ZINC000574464015 857903119 /nfs/dbraw/zinc/90/31/19/857903119.db2.gz XWANFFLFCFLMFW-UHFFFAOYSA-N 1 3 375.582 3.852 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000594276202 858022379 /nfs/dbraw/zinc/02/23/79/858022379.db2.gz SDLDRMHJQRIZFJ-FGZHOGPDSA-N 1 3 386.584 3.512 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521602263 858148129 /nfs/dbraw/zinc/14/81/29/858148129.db2.gz XEXSLBRAFBPVJT-SVFBPWRDSA-N 1 3 389.559 3.522 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521602263 858148134 /nfs/dbraw/zinc/14/81/34/858148134.db2.gz XEXSLBRAFBPVJT-SVFBPWRDSA-N 1 3 389.559 3.522 20 0 GHADHO CN(C)C[C@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccc(Cl)cc1 ZINC000521622561 858164978 /nfs/dbraw/zinc/16/49/78/858164978.db2.gz YTUOBWDSJZHOSN-FQEVSTJZSA-N 1 3 398.938 3.676 20 0 GHADHO C[C@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2cccc(Br)c21 ZINC000442879442 858201587 /nfs/dbraw/zinc/20/15/87/858201587.db2.gz VZEPYVLGGQIYRD-YOEHRIQHSA-N 1 3 380.374 3.613 20 0 GHADHO CN1CC[NH+](CC2CCN(Cc3ccc(-c4c(F)cccc4F)o3)CC2)CC1 ZINC000521687896 858246938 /nfs/dbraw/zinc/24/69/38/858246938.db2.gz XVOPQZIFDQBQNJ-UHFFFAOYSA-N 1 3 389.490 3.684 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142758 858298095 /nfs/dbraw/zinc/29/80/95/858298095.db2.gz YURRUGAUTHUQQF-SESVDKBCSA-N 1 3 398.551 3.625 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142758 858298101 /nfs/dbraw/zinc/29/81/01/858298101.db2.gz YURRUGAUTHUQQF-SESVDKBCSA-N 1 3 398.551 3.625 20 0 GHADHO COC(=O)c1cccc(-c2nc(CN3CCC[C@@H](C)[C@H]3CCC[NH3+])cs2)c1 ZINC000595907715 858715187 /nfs/dbraw/zinc/71/51/87/858715187.db2.gz DXLJBYZMUBPMMX-DNVCBOLYSA-N 1 3 387.549 3.936 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466292453 859008498 /nfs/dbraw/zinc/00/84/98/859008498.db2.gz ANXQKTVIPPYQIO-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466292453 859008506 /nfs/dbraw/zinc/00/85/06/859008506.db2.gz ANXQKTVIPPYQIO-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](NC[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185747400 859124365 /nfs/dbraw/zinc/12/43/65/859124365.db2.gz UJEPUHBBCSXACN-PJXYCGMHSA-N 1 3 386.580 3.684 20 0 GHADHO C[C@H](NC[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185747400 859124371 /nfs/dbraw/zinc/12/43/71/859124371.db2.gz UJEPUHBBCSXACN-PJXYCGMHSA-N 1 3 386.580 3.684 20 0 GHADHO C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000185747400 859124378 /nfs/dbraw/zinc/12/43/78/859124378.db2.gz UJEPUHBBCSXACN-PJXYCGMHSA-N 1 3 386.580 3.684 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613307 859494010 /nfs/dbraw/zinc/49/40/10/859494010.db2.gz XQQBVXNVJXTIGU-YKSBVNFPSA-N 1 3 378.564 3.719 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000764716189 859579834 /nfs/dbraw/zinc/57/98/34/859579834.db2.gz UZTRHRDNTQFWHM-CVDCTZTESA-N 1 3 377.532 3.814 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000764716189 859579843 /nfs/dbraw/zinc/57/98/43/859579843.db2.gz UZTRHRDNTQFWHM-CVDCTZTESA-N 1 3 377.532 3.814 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C[C@H]1C ZINC000483761007 859595461 /nfs/dbraw/zinc/59/54/61/859595461.db2.gz PZWCNGXZQUHNNT-BAGYTPMASA-N 1 3 386.584 3.646 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C[C@H]1C ZINC000483761007 859595473 /nfs/dbraw/zinc/59/54/73/859595473.db2.gz PZWCNGXZQUHNNT-BAGYTPMASA-N 1 3 386.584 3.646 20 0 GHADHO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856561008 881448733 /nfs/dbraw/zinc/44/87/33/881448733.db2.gz LHEPVLGQDSBSCB-QHCPKHFHSA-N 1 3 396.535 3.534 20 0 GHADHO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856561008 881449127 /nfs/dbraw/zinc/44/91/27/881449127.db2.gz LHEPVLGQDSBSCB-QHCPKHFHSA-N 1 3 396.535 3.534 20 0 GHADHO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000543429998 859689880 /nfs/dbraw/zinc/68/98/80/859689880.db2.gz WRRVOAJARZIXAX-SVFBPWRDSA-N 1 3 396.531 3.800 20 0 GHADHO Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)o1 ZINC000115611418 860057890 /nfs/dbraw/zinc/05/78/90/860057890.db2.gz PXEBMQPXJNHULZ-UHFFFAOYSA-N 1 3 394.494 3.831 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718662 860286732 /nfs/dbraw/zinc/28/67/32/860286732.db2.gz IIFJFJFKWSBWRV-IZZBFERCSA-N 1 3 398.551 3.844 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718662 860286740 /nfs/dbraw/zinc/28/67/40/860286740.db2.gz IIFJFJFKWSBWRV-IZZBFERCSA-N 1 3 398.551 3.844 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698911 860418843 /nfs/dbraw/zinc/41/88/43/860418843.db2.gz VEQJFFJWYWQIMV-SPEDKVCISA-N 1 3 377.532 3.909 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698911 860418851 /nfs/dbraw/zinc/41/88/51/860418851.db2.gz VEQJFFJWYWQIMV-SPEDKVCISA-N 1 3 377.532 3.909 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)Nc3cccc(C[NH+](C)C)c3)c(C)c2)CC1 ZINC000125686980 860750475 /nfs/dbraw/zinc/75/04/75/860750475.db2.gz JDISOGOZDNDAKW-UHFFFAOYSA-N 1 3 395.551 3.843 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)C2)ccn1 ZINC000856604868 881582301 /nfs/dbraw/zinc/58/23/01/881582301.db2.gz SRRRTHWXTYDXCP-JTHBVZDNSA-N 1 3 388.600 3.638 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)C2)ccn1 ZINC000856604868 881582322 /nfs/dbraw/zinc/58/23/22/881582322.db2.gz SRRRTHWXTYDXCP-JTHBVZDNSA-N 1 3 388.600 3.638 20 0 GHADHO c1[nH]nc2cccc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CC34CCOCC4)c12 ZINC000623532961 861145165 /nfs/dbraw/zinc/14/51/65/861145165.db2.gz NRQUZAGKZNCEMA-NRFANRHFSA-N 1 3 390.531 3.581 20 0 GHADHO CC(C)N(CC[NH+](C)C)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000158532833 863069342 /nfs/dbraw/zinc/06/93/42/863069342.db2.gz FEQFWAMRUFDJLZ-UHFFFAOYSA-N 1 3 394.991 3.534 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CSCCc2ccccc21 ZINC000182230845 863157486 /nfs/dbraw/zinc/15/74/86/863157486.db2.gz YWHNPGCDXSZKKU-GGAORHGYSA-N 1 3 382.573 3.764 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CSCCc2ccccc21 ZINC000182230845 863157498 /nfs/dbraw/zinc/15/74/98/863157498.db2.gz YWHNPGCDXSZKKU-GGAORHGYSA-N 1 3 382.573 3.764 20 0 GHADHO C[C@@H]1CC(N2CCC(NC(=O)C3CCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168050960 863508797 /nfs/dbraw/zinc/50/87/97/863508797.db2.gz DUQJYFQJRXGTHF-RTBURBONSA-N 1 3 383.580 3.809 20 0 GHADHO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522830918 863510388 /nfs/dbraw/zinc/51/03/88/863510388.db2.gz NLQCLSARTRNUFG-QFIPXVFZSA-N 1 3 392.547 3.918 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC000158654364 863901818 /nfs/dbraw/zinc/90/18/18/863901818.db2.gz NEVDTVRRIGXRSZ-IBGZPJMESA-N 1 3 380.602 3.695 20 0 GHADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000480136691 864101082 /nfs/dbraw/zinc/10/10/82/864101082.db2.gz IDMJWPHHWVSYPJ-KRWDZBQOSA-N 1 3 389.565 3.751 20 0 GHADHO CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c2ccccc21 ZINC000621751516 864398585 /nfs/dbraw/zinc/39/85/85/864398585.db2.gz IGJFNTRQOGWJJO-FYYLOGMGSA-N 1 3 377.532 3.639 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C(F)F)C3CCCCC3)CC2)CC1 ZINC000623045993 865967557 /nfs/dbraw/zinc/96/75/57/865967557.db2.gz GGHXMZYGSNQMLE-IBGZPJMESA-N 1 3 385.543 3.513 20 0 GHADHO c1c(C[NH2+]CCCN2CCCCC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000072786097 866034727 /nfs/dbraw/zinc/03/47/27/866034727.db2.gz PZEAAVRUKCYLCW-UHFFFAOYSA-N 1 3 375.520 3.900 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCCCCC[NH+](C)C ZINC000741081749 866226158 /nfs/dbraw/zinc/22/61/58/866226158.db2.gz ZEMACKVEGLBVNX-NRFANRHFSA-N 1 3 388.600 3.805 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cc(C)sc3C)CC2)CC1 ZINC000552967483 866539286 /nfs/dbraw/zinc/53/92/86/866539286.db2.gz TYXCDDQERWIRFS-INIZCTEOSA-N 1 3 377.598 3.738 20 0 GHADHO CC[C@H]([NH2+]CCCN1CCCCC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000444610016 866945694 /nfs/dbraw/zinc/94/56/94/866945694.db2.gz NVRRBWTXNWXYMC-NRFANRHFSA-N 1 3 387.568 3.605 20 0 GHADHO FC(F)(F)C[C@H]1CCN(CCOCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444699396 867083940 /nfs/dbraw/zinc/08/39/40/867083940.db2.gz UBXQTDKYDVVRQX-OKILXGFUSA-N 1 3 376.385 3.552 20 0 GHADHO FC(F)(F)C[C@H]1CCN(CCOCC[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444699396 867083955 /nfs/dbraw/zinc/08/39/55/867083955.db2.gz UBXQTDKYDVVRQX-OKILXGFUSA-N 1 3 376.385 3.552 20 0 GHADHO FC(F)(F)C[C@H]1CC[N@@H+](CCOCCN2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444699396 867083966 /nfs/dbraw/zinc/08/39/66/867083966.db2.gz UBXQTDKYDVVRQX-OKILXGFUSA-N 1 3 376.385 3.552 20 0 GHADHO FC(F)(F)C[C@H]1CC[N@H+](CCOCCN2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444699396 867083976 /nfs/dbraw/zinc/08/39/76/867083976.db2.gz UBXQTDKYDVVRQX-OKILXGFUSA-N 1 3 376.385 3.552 20 0 GHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455922491 867249807 /nfs/dbraw/zinc/24/98/07/867249807.db2.gz MBSRSVVQVGSEAL-QFIPXVFZSA-N 1 3 398.526 3.970 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2sc(-c3ccccc3F)nc2C)CC1 ZINC000154238738 867315526 /nfs/dbraw/zinc/31/55/26/867315526.db2.gz SKXFDISBZRRKIO-INIZCTEOSA-N 1 3 390.572 3.936 20 0 GHADHO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000479451730 867781893 /nfs/dbraw/zinc/78/18/93/867781893.db2.gz XUZBOFGZGQZTCS-FXAWDEMLSA-N 1 3 381.520 3.826 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000523784373 867958921 /nfs/dbraw/zinc/95/89/21/867958921.db2.gz SUXLHDAPPRLYRL-MOPGFXCFSA-N 1 3 392.613 3.504 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000523784373 867958937 /nfs/dbraw/zinc/95/89/37/867958937.db2.gz SUXLHDAPPRLYRL-MOPGFXCFSA-N 1 3 392.613 3.504 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000155672349 868019804 /nfs/dbraw/zinc/01/98/04/868019804.db2.gz HSALBOVPBPZFQD-PBHICJAKSA-N 1 3 398.414 3.602 20 0 GHADHO C[C@H]1[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479652232 868308210 /nfs/dbraw/zinc/30/82/10/868308210.db2.gz YBAPBHFJOBMQNT-RZUBCFFCSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H]1[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479652232 868308230 /nfs/dbraw/zinc/30/82/30/868308230.db2.gz YBAPBHFJOBMQNT-RZUBCFFCSA-N 1 3 386.584 3.603 20 0 GHADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000744878363 869150264 /nfs/dbraw/zinc/15/02/64/869150264.db2.gz VFOCQLYCZXMFFB-JOCHJYFZSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000539495803 869246862 /nfs/dbraw/zinc/24/68/62/869246862.db2.gz FHIHGJKFDVOTQL-LJQANCHMSA-N 1 3 395.547 3.627 20 0 GHADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@@H]21 ZINC000539900490 869989671 /nfs/dbraw/zinc/98/96/71/869989671.db2.gz VLSJMWIQDJIOSX-WMZOPIPTSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@@H]21 ZINC000539900490 869989673 /nfs/dbraw/zinc/98/96/73/869989673.db2.gz VLSJMWIQDJIOSX-WMZOPIPTSA-N 1 3 378.442 3.807 20 0 GHADHO Cc1cc(C)cc(-c2ccc(C[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000462750914 870017897 /nfs/dbraw/zinc/01/78/97/870017897.db2.gz RXRYBVWRCWPWDC-JOCHJYFZSA-N 1 3 379.548 3.647 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](CC(C)C)C3CCCC3)cc2)CC1 ZINC000746152322 870080891 /nfs/dbraw/zinc/08/08/91/870080891.db2.gz ARMYMVZTTGGOTH-UHFFFAOYSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](CC(C)C)C3CCCC3)cc2)CC1 ZINC000746152322 870080902 /nfs/dbraw/zinc/08/09/02/870080902.db2.gz ARMYMVZTTGGOTH-UHFFFAOYSA-N 1 3 386.584 3.668 20 0 GHADHO C[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248548632 870484693 /nfs/dbraw/zinc/48/46/93/870484693.db2.gz FPRJZPBGGTWPEI-AVCGJXAMSA-N 1 3 382.548 3.822 20 0 GHADHO C[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248548632 870484716 /nfs/dbraw/zinc/48/47/16/870484716.db2.gz FPRJZPBGGTWPEI-AVCGJXAMSA-N 1 3 382.548 3.822 20 0 GHADHO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)o1 ZINC000538723922 870519223 /nfs/dbraw/zinc/51/92/23/870519223.db2.gz GWJJZERGUBFVDD-PGRDOPGGSA-N 1 3 385.527 3.852 20 0 GHADHO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)o1 ZINC000538723922 870519234 /nfs/dbraw/zinc/51/92/34/870519234.db2.gz GWJJZERGUBFVDD-PGRDOPGGSA-N 1 3 385.527 3.852 20 0 GHADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463118165 870955075 /nfs/dbraw/zinc/95/50/75/870955075.db2.gz WUZPYUQFGKODID-GHTZIAJQSA-N 1 3 383.511 3.507 20 0 GHADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463118165 870955082 /nfs/dbraw/zinc/95/50/82/870955082.db2.gz WUZPYUQFGKODID-GHTZIAJQSA-N 1 3 383.511 3.507 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001170438754 882463851 /nfs/dbraw/zinc/46/38/51/882463851.db2.gz USKHSXSWBZCPOC-NZQKXSOJSA-N 1 3 388.552 3.559 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001170438754 882463857 /nfs/dbraw/zinc/46/38/57/882463857.db2.gz USKHSXSWBZCPOC-NZQKXSOJSA-N 1 3 388.552 3.559 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(CCCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131731 871222479 /nfs/dbraw/zinc/22/24/79/871222479.db2.gz YIYKWFPMZULUGB-WEMPKCCASA-N 1 3 377.573 3.867 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(CCCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131731 871222485 /nfs/dbraw/zinc/22/24/85/871222485.db2.gz YIYKWFPMZULUGB-WEMPKCCASA-N 1 3 377.573 3.867 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(CC(=O)OCc3ccccc3)cc1)C2 ZINC001169107852 871232507 /nfs/dbraw/zinc/23/25/07/871232507.db2.gz LJCGWLQWWBDRHA-WBDAEOGXSA-N 1 3 378.516 3.687 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1)N(C)C ZINC000539319863 871682657 /nfs/dbraw/zinc/68/26/57/871682657.db2.gz JSPRRVGKIYJIBJ-YADHBBJMSA-N 1 3 389.584 3.991 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1)N(C)C ZINC000539319863 871682662 /nfs/dbraw/zinc/68/26/62/871682662.db2.gz JSPRRVGKIYJIBJ-YADHBBJMSA-N 1 3 389.584 3.991 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000462164618 871722743 /nfs/dbraw/zinc/72/27/43/871722743.db2.gz NTNNQOZGEVKHJU-DVECYGJZSA-N 1 3 391.559 3.921 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000462164618 871722752 /nfs/dbraw/zinc/72/27/52/871722752.db2.gz NTNNQOZGEVKHJU-DVECYGJZSA-N 1 3 391.559 3.921 20 0 GHADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821220 871849001 /nfs/dbraw/zinc/84/90/01/871849001.db2.gz SESQYASLSZBVAQ-HSALFYBXSA-N 1 3 386.584 3.513 20 0 GHADHO C[NH+](C)CCOCCN[C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000447598884 871912620 /nfs/dbraw/zinc/91/26/20/871912620.db2.gz WGNXUPJQHPIPEK-MRXNPFEDSA-N 1 3 375.738 3.721 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000552044049 871925585 /nfs/dbraw/zinc/92/55/85/871925585.db2.gz NHIKZQTWYCCHBN-ZJZGAYNASA-N 1 3 386.580 3.710 20 0 GHADHO [NH3+]C1(c2ccc(C(F)(F)F)cc2)CCN([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926168 872040927 /nfs/dbraw/zinc/04/09/27/872040927.db2.gz WPMKCTGUCUBRTA-KRWDZBQOSA-N 1 3 384.442 3.641 20 0 GHADHO C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110263 882615718 /nfs/dbraw/zinc/61/57/18/882615718.db2.gz VOPOJYJAMULPIB-FQEVSTJZSA-N 1 3 376.504 3.733 20 0 GHADHO C[N@@H+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110263 882615731 /nfs/dbraw/zinc/61/57/31/882615731.db2.gz VOPOJYJAMULPIB-FQEVSTJZSA-N 1 3 376.504 3.733 20 0 GHADHO c1cc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)n(-c2ccccc2)n1 ZINC000447933061 872567251 /nfs/dbraw/zinc/56/72/51/872567251.db2.gz UZNBSQQVDVXADE-UHFFFAOYSA-N 1 3 389.547 3.564 20 0 GHADHO CN(C)Cc1ccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)cc1F ZINC000552577929 872845183 /nfs/dbraw/zinc/84/51/83/872845183.db2.gz KYXIWNKIKKVUDJ-UHFFFAOYSA-N 1 3 387.518 3.823 20 0 GHADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000152849419 872912696 /nfs/dbraw/zinc/91/26/96/872912696.db2.gz VVHMCRXRIRDTAS-CGTJXYLNSA-N 1 3 385.474 3.545 20 0 GHADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000152849419 872912706 /nfs/dbraw/zinc/91/27/06/872912706.db2.gz VVHMCRXRIRDTAS-CGTJXYLNSA-N 1 3 385.474 3.545 20 0 GHADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)CCCO2 ZINC000768092700 873060844 /nfs/dbraw/zinc/06/08/44/873060844.db2.gz FVSSUYXLONKQBO-DEOSSOPVSA-N 1 3 393.575 4.000 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)ccc1OC ZINC000768287661 873211277 /nfs/dbraw/zinc/21/12/77/873211277.db2.gz VJLYXWNOLZMCRX-INIZCTEOSA-N 1 3 388.581 3.733 20 0 GHADHO CCN(Cc1cn(-c2ccncc2)nc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541537666 873790274 /nfs/dbraw/zinc/79/02/74/873790274.db2.gz ZPBDYJHVLPFINJ-QFIPXVFZSA-N 1 3 389.547 3.920 20 0 GHADHO CCN(Cc1cn(-c2ccncc2)nc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541537666 873790290 /nfs/dbraw/zinc/79/02/90/873790290.db2.gz ZPBDYJHVLPFINJ-QFIPXVFZSA-N 1 3 389.547 3.920 20 0 GHADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550882711 882762315 /nfs/dbraw/zinc/76/23/15/882762315.db2.gz RPBSTDWMQMEIMH-VABKMULXSA-N 1 3 386.580 3.710 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C[C@H](C)O1 ZINC000541537062 873827700 /nfs/dbraw/zinc/82/77/00/873827700.db2.gz GQALNTPULKWQRI-HDICACEKSA-N 1 3 388.581 3.645 20 0 GHADHO COc1cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc2ccccc21 ZINC000449082711 874434667 /nfs/dbraw/zinc/43/46/67/874434667.db2.gz PIDOTQJLYVMWDQ-UHFFFAOYSA-N 1 3 389.543 3.886 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000449100320 874471211 /nfs/dbraw/zinc/47/12/11/874471211.db2.gz BNJIJHDSJBRPLO-RDPSFJRHSA-N 1 3 393.575 3.891 20 0 GHADHO CCOC(=O)c1cc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)[nH]c1C ZINC000449107744 874482191 /nfs/dbraw/zinc/48/21/91/874482191.db2.gz REMNFSRPYPKEKL-MRXNPFEDSA-N 1 3 375.538 3.563 20 0 GHADHO CCOC(=O)c1cc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[nH]c1C ZINC000449107744 874482196 /nfs/dbraw/zinc/48/21/96/874482196.db2.gz REMNFSRPYPKEKL-MRXNPFEDSA-N 1 3 375.538 3.563 20 0 GHADHO COc1ccccc1N1CC[C@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449191107 874566517 /nfs/dbraw/zinc/56/65/17/874566517.db2.gz PBTIPFLLJZNUFS-OFNKIYASSA-N 1 3 393.575 3.959 20 0 GHADHO COc1cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc2ccccc21 ZINC000449235419 874602274 /nfs/dbraw/zinc/60/22/74/874602274.db2.gz GMNYAMHAZVWTAO-UHFFFAOYSA-N 1 3 381.564 3.698 20 0 GHADHO CSCC1CCC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000449224830 874615689 /nfs/dbraw/zinc/61/56/89/874615689.db2.gz MZVLGQJWOSNKRI-UHFFFAOYSA-N 1 3 389.609 3.524 20 0 GHADHO CN(CCC(=O)NCc1ccccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843356 874619664 /nfs/dbraw/zinc/61/96/64/874619664.db2.gz TZSZXPSXBDFNNA-HXUWFJFHSA-N 1 3 399.966 3.800 20 0 GHADHO CN(CCC(=O)NCc1ccccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843356 874619669 /nfs/dbraw/zinc/61/96/69/874619669.db2.gz TZSZXPSXBDFNNA-HXUWFJFHSA-N 1 3 399.966 3.800 20 0 GHADHO COc1ccc(COCCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000449247247 874652220 /nfs/dbraw/zinc/65/22/20/874652220.db2.gz FMXCQZBPMRWLNF-HXUWFJFHSA-N 1 3 382.548 3.897 20 0 GHADHO CNC(=O)C[C@@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449299743 874686873 /nfs/dbraw/zinc/68/68/73/874686873.db2.gz MVDOJBRILGKEAR-WMZHIEFXSA-N 1 3 379.548 3.549 20 0 GHADHO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1)C1=CCN(C)CC1 ZINC000528997186 875419103 /nfs/dbraw/zinc/41/91/03/875419103.db2.gz WNDBRIWGYWDQDK-VEXUSMLFSA-N 1 3 395.591 3.691 20 0 GHADHO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)C1=CCN(C)CC1 ZINC000528997186 875419108 /nfs/dbraw/zinc/41/91/08/875419108.db2.gz WNDBRIWGYWDQDK-VEXUSMLFSA-N 1 3 395.591 3.691 20 0 GHADHO CC(C)[C@@H](Cc1ccccc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000172754460 875901875 /nfs/dbraw/zinc/90/18/75/875901875.db2.gz GPNDDOLWFOZPDM-JOCHJYFZSA-N 1 3 385.596 3.568 20 0 GHADHO C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000465423830 882998721 /nfs/dbraw/zinc/99/87/21/882998721.db2.gz SEFZTCALTSNHTF-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO C[NH+]1CCC(CNC(=O)Nc2ccc(Cl)cc2F)(N2CCCCC2)CC1 ZINC000174393417 877003524 /nfs/dbraw/zinc/00/35/24/877003524.db2.gz HPFGKMNJBKASAX-UHFFFAOYSA-N 1 3 382.911 3.551 20 0 GHADHO Cc1cc2oc(=O)cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2cc1C(C)C ZINC000530239330 877349787 /nfs/dbraw/zinc/34/97/87/877349787.db2.gz FEUGGRLIZMZECR-HXUWFJFHSA-N 1 3 398.547 3.815 20 0 GHADHO CC(C)[N@H+](C)CC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000530335919 877569252 /nfs/dbraw/zinc/56/92/52/877569252.db2.gz PBMFCRGBKVHWQF-NRFANRHFSA-N 1 3 393.522 3.508 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000530335919 877569265 /nfs/dbraw/zinc/56/92/65/877569265.db2.gz PBMFCRGBKVHWQF-NRFANRHFSA-N 1 3 393.522 3.508 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176013978 878037185 /nfs/dbraw/zinc/03/71/85/878037185.db2.gz YXYFNMFNDHLBLJ-UHFFFAOYSA-N 1 3 378.605 3.547 20 0 GHADHO Clc1ccc2c(n1)[C@H]([NH2+]CCCCN1CCN(Cc3ccccc3)CC1)CC2 ZINC000788544433 878139606 /nfs/dbraw/zinc/13/96/06/878139606.db2.gz DKMGXEZLAZKRFX-OAQYLSRUSA-N 1 3 398.982 3.910 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2CCc4ccccc4C2)C3)cc1 ZINC000245657347 878299998 /nfs/dbraw/zinc/29/99/98/878299998.db2.gz DWRJBKJTQNKBNR-QEIWAGNOSA-N 1 3 375.560 3.830 20 0 GHADHO C[NH+]1CCN(c2ccc(CN[C@@H](c3ccccc3)c3ccc(F)cc3)cn2)CC1 ZINC000177204607 878598841 /nfs/dbraw/zinc/59/88/41/878598841.db2.gz MGAIXWUAYZKEDW-DEOSSOPVSA-N 1 3 390.506 3.852 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C[C@@H](C)O1 ZINC000530940116 878777269 /nfs/dbraw/zinc/77/72/69/878777269.db2.gz STIFHSYGFILVDO-IAGOWNOFSA-N 1 3 382.495 3.999 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C[C@H](C)O1 ZINC000530940117 878778336 /nfs/dbraw/zinc/77/83/36/878778336.db2.gz STIFHSYGFILVDO-IRXDYDNUSA-N 1 3 382.495 3.999 20 0 GHADHO COCCC[C@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000177984964 878936490 /nfs/dbraw/zinc/93/64/90/878936490.db2.gz QZWYLTUNIFKYHM-NRFANRHFSA-N 1 3 381.564 3.914 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000178437232 879117557 /nfs/dbraw/zinc/11/75/57/879117557.db2.gz GTILMYHFFVIGHA-GOSISDBHSA-N 1 3 386.584 3.856 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000246351710 879445731 /nfs/dbraw/zinc/44/57/31/879445731.db2.gz HSNZFJTXIXMWQD-RJGXRXQPSA-N 1 3 384.564 3.747 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246374733 879473927 /nfs/dbraw/zinc/47/39/27/879473927.db2.gz MDQGJNBLIWLKGF-KCZVDYSFSA-N 1 3 386.584 3.585 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246374733 879473931 /nfs/dbraw/zinc/47/39/31/879473931.db2.gz MDQGJNBLIWLKGF-KCZVDYSFSA-N 1 3 386.584 3.585 20 0 GHADHO C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000494000023 879804610 /nfs/dbraw/zinc/80/46/10/879804610.db2.gz NWZWAQMBZONCLL-WMZHIEFXSA-N 1 3 377.532 3.675 20 0 GHADHO C[C@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140150 879838930 /nfs/dbraw/zinc/83/89/30/879838930.db2.gz XSBVHFDJMGIHRX-IVGWJTKZSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140150 879838950 /nfs/dbraw/zinc/83/89/50/879838950.db2.gz XSBVHFDJMGIHRX-IVGWJTKZSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c2c(F)cccc2Cl)CCO1 ZINC000246982156 879870634 /nfs/dbraw/zinc/87/06/34/879870634.db2.gz JTQVFMMHSYZXAC-SQOWSMRPSA-N 1 3 397.966 3.559 20 0 GHADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183152701 880063196 /nfs/dbraw/zinc/06/31/96/880063196.db2.gz OWJPOCCFZWJGNQ-FDFHNCONSA-N 1 3 395.547 3.598 20 0 GHADHO CC[C@@H](CN[C@@H](C)CC(=O)Nc1cccc(Br)c1)[NH+]1CCCC1 ZINC000531684894 880317643 /nfs/dbraw/zinc/31/76/43/880317643.db2.gz FJBYPTYENXBIQR-YOEHRIQHSA-N 1 3 382.346 3.630 20 0 GHADHO C[C@H](NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000184750606 880373604 /nfs/dbraw/zinc/37/36/04/880373604.db2.gz GEODHGKCLBBAIM-AQNXPRMDSA-N 1 3 379.548 3.610 20 0 GHADHO COCCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453084294 880441508 /nfs/dbraw/zinc/44/15/08/880441508.db2.gz DJHQSDMMSAKAPG-WXFUMESZSA-N 1 3 385.596 3.520 20 0 GHADHO CCN1CCN(c2ccc(N[C@H](C)c3cccc(OCC[NH+](C)C)c3)cc2)CC1 ZINC000776805111 880446903 /nfs/dbraw/zinc/44/69/03/880446903.db2.gz KFXBHFHSGUFLJN-HXUWFJFHSA-N 1 3 396.579 3.942 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453107267 880474865 /nfs/dbraw/zinc/47/48/65/880474865.db2.gz ICRZAMGIIDPWBL-VXNXHJTFSA-N 1 3 399.623 3.909 20 0 GHADHO CC[C@H](CN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000531941264 880799479 /nfs/dbraw/zinc/79/94/79/880799479.db2.gz YEJQWWZYVRCDJP-GOEBONIOSA-N 1 3 387.446 3.766 20 0 GHADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000531964835 880828572 /nfs/dbraw/zinc/82/85/72/880828572.db2.gz VVHMCRXRIRDTAS-NXHRZFHOSA-N 1 3 385.474 3.545 20 0 GHADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000531964835 880828591 /nfs/dbraw/zinc/82/85/91/880828591.db2.gz VVHMCRXRIRDTAS-NXHRZFHOSA-N 1 3 385.474 3.545 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429529837 880968095 /nfs/dbraw/zinc/96/80/95/880968095.db2.gz SOQUTQHWDRWDLG-QHCPKHFHSA-N 1 3 397.538 3.642 20 0 GHADHO c1ncn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCCN4Cc4ccccc4)C3)cc2)n1 ZINC000537694590 883205705 /nfs/dbraw/zinc/20/57/05/883205705.db2.gz OCESKACOIWVAEY-LADGPHEKSA-N 1 3 387.531 3.754 20 0 GHADHO c1ncn(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCCN4Cc4ccccc4)C3)cc2)n1 ZINC000537694590 883205721 /nfs/dbraw/zinc/20/57/21/883205721.db2.gz OCESKACOIWVAEY-LADGPHEKSA-N 1 3 387.531 3.754 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000476881427 883324039 /nfs/dbraw/zinc/32/40/39/883324039.db2.gz NIUSXXFWOHMLPF-UHFFFAOYSA-N 1 3 386.584 3.690 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000173393982 883396708 /nfs/dbraw/zinc/39/67/08/883396708.db2.gz SPJUQYPVCIKDBW-QGZVFWFLSA-N 1 3 384.520 3.511 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455512 912710973 /nfs/dbraw/zinc/71/09/73/912710973.db2.gz NZHFUKOYQZDVSH-PBHICJAKSA-N 1 3 378.442 3.797 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000477012493 883553777 /nfs/dbraw/zinc/55/37/77/883553777.db2.gz SJJLTSZODHNPSW-NQIIRXRSSA-N 1 3 398.551 3.804 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000551270087 883579779 /nfs/dbraw/zinc/57/97/79/883579779.db2.gz KSHNCTBIJDYNPI-JOCHJYFZSA-N 1 3 384.520 3.516 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000551270087 883579791 /nfs/dbraw/zinc/57/97/91/883579791.db2.gz KSHNCTBIJDYNPI-JOCHJYFZSA-N 1 3 384.520 3.516 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccco1 ZINC000806931905 885097940 /nfs/dbraw/zinc/09/79/40/885097940.db2.gz SPGSAPQNSBLKOL-DCCYDQLOSA-N 1 3 390.572 3.805 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cccc4nsnc43)c3ccccc23)CC1 ZINC001170527871 885565820 /nfs/dbraw/zinc/56/58/20/885565820.db2.gz FNHCMVPWYGWJHI-UHFFFAOYSA-N 1 3 377.517 3.601 20 0 GHADHO COC(OC)c1ccccc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170528990 885582306 /nfs/dbraw/zinc/58/23/06/885582306.db2.gz YZDUDIXXOATJLS-UHFFFAOYSA-N 1 3 393.531 3.888 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506341 885840074 /nfs/dbraw/zinc/84/00/74/885840074.db2.gz MBOQOMKICUXYNJ-RBUKOAKNSA-N 1 3 378.520 3.906 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506341 885840090 /nfs/dbraw/zinc/84/00/90/885840090.db2.gz MBOQOMKICUXYNJ-RBUKOAKNSA-N 1 3 378.520 3.906 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506339 885841131 /nfs/dbraw/zinc/84/11/31/885841131.db2.gz MBOQOMKICUXYNJ-OALUTQOASA-N 1 3 378.520 3.906 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506339 885841145 /nfs/dbraw/zinc/84/11/45/885841145.db2.gz MBOQOMKICUXYNJ-OALUTQOASA-N 1 3 378.520 3.906 20 0 GHADHO CC(C)[C@H](c1ccccc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112747090 886272446 /nfs/dbraw/zinc/27/24/46/886272446.db2.gz MBCWQGUCOLUPPH-JOCHJYFZSA-N 1 3 386.584 3.584 20 0 GHADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000556868716 886416368 /nfs/dbraw/zinc/41/63/68/886416368.db2.gz BJDNKTXMHPKLON-JXALWOEJSA-N 1 3 397.563 3.853 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2COc3ccccc3[C@H]2O)ccc1OC ZINC000808729753 886746253 /nfs/dbraw/zinc/74/62/53/886746253.db2.gz OTJMALWAKOBYTQ-LERMDLETSA-N 1 3 384.520 3.682 20 0 GHADHO CC(C)CN1CCC([NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000809604847 887575644 /nfs/dbraw/zinc/57/56/44/887575644.db2.gz QZUJJINEYUMRPG-UHFFFAOYSA-N 1 3 387.568 3.745 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2cnc(C3OCCO3)s2)C[N@@H+]1Cc1ccccc1 ZINC000809629574 887630189 /nfs/dbraw/zinc/63/01/89/887630189.db2.gz VENNJZYAMVSMJU-SJLPKXTDSA-N 1 3 387.549 3.579 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629574 887630195 /nfs/dbraw/zinc/63/01/95/887630195.db2.gz VENNJZYAMVSMJU-SJLPKXTDSA-N 1 3 387.549 3.579 20 0 GHADHO CC(C)C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759468 887782741 /nfs/dbraw/zinc/78/27/41/887782741.db2.gz FIXWBPMRAZUKBG-QFIPXVFZSA-N 1 3 386.584 3.632 20 0 GHADHO O=C(c1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1)N1CCCC1 ZINC000865405299 888325349 /nfs/dbraw/zinc/32/53/49/888325349.db2.gz FTIHYMHQMWRLNW-UHFFFAOYSA-N 1 3 377.532 3.808 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000810650037 888746504 /nfs/dbraw/zinc/74/65/04/888746504.db2.gz YXVFGVBYKKYSOR-KKLQWCBXSA-N 1 3 389.559 3.616 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000810650037 888746507 /nfs/dbraw/zinc/74/65/07/888746507.db2.gz YXVFGVBYKKYSOR-KKLQWCBXSA-N 1 3 389.559 3.616 20 0 GHADHO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(CN4C[C@@H](C)O[C@H](C)C4)CC3)cc2)n1 ZINC000532956292 889419110 /nfs/dbraw/zinc/41/91/10/889419110.db2.gz MQNIUWZAIYATFQ-NHCUHLMSSA-N 1 3 396.579 3.810 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1 ZINC000123858783 889426030 /nfs/dbraw/zinc/42/60/30/889426030.db2.gz PGXYDHIQWJKJAL-UHFFFAOYSA-N 1 3 380.319 3.575 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000532988660 889471802 /nfs/dbraw/zinc/47/18/02/889471802.db2.gz SIZZFOLRAQBDGT-WMLDXEAASA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000532988660 889471816 /nfs/dbraw/zinc/47/18/16/889471816.db2.gz SIZZFOLRAQBDGT-WMLDXEAASA-N 1 3 382.346 3.582 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000125954039 890284502 /nfs/dbraw/zinc/28/45/02/890284502.db2.gz LXNMDFJQESTDGB-JKSUJKDBSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000125954039 890284509 /nfs/dbraw/zinc/28/45/09/890284509.db2.gz LXNMDFJQESTDGB-JKSUJKDBSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000125954039 890284524 /nfs/dbraw/zinc/28/45/24/890284524.db2.gz LXNMDFJQESTDGB-JKSUJKDBSA-N 1 3 396.373 3.876 20 0 GHADHO c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCCC2 ZINC000126710521 890658339 /nfs/dbraw/zinc/65/83/39/890658339.db2.gz VEBKRJFYOLNPHA-FDDCHVKYSA-N 1 3 384.564 3.870 20 0 GHADHO CC(C)[NH+]1CCC(N[C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872046860 891130869 /nfs/dbraw/zinc/13/08/69/891130869.db2.gz NGJGMQMMTOGKAZ-VQIMIIECSA-N 1 3 381.358 3.989 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655763314 891242023 /nfs/dbraw/zinc/24/20/23/891242023.db2.gz NBBSTZRABRKQIT-DHIUTWEWSA-N 1 3 385.596 3.520 20 0 GHADHO CCCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873242854 891545348 /nfs/dbraw/zinc/54/53/48/891545348.db2.gz GSTRMDVBVLAUIH-QGZVFWFLSA-N 1 3 379.508 3.756 20 0 GHADHO CCC(CC)(CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)[NH2+][C@H](C)c1ccccc1 ZINC000497685501 892192728 /nfs/dbraw/zinc/19/27/28/892192728.db2.gz FNPOEYPNPUAKDZ-GIVPXCGWSA-N 1 3 386.584 3.632 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)c1ccccc1 ZINC000825796205 892639597 /nfs/dbraw/zinc/63/95/97/892639597.db2.gz ZMLWZGXFCUWWCC-MOPGFXCFSA-N 1 3 388.943 3.633 20 0 GHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000162545901 892673372 /nfs/dbraw/zinc/67/33/72/892673372.db2.gz LUXMSWDAUHQVMD-INIZCTEOSA-N 1 3 381.520 3.708 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000476013035 893152522 /nfs/dbraw/zinc/15/25/22/893152522.db2.gz SVIUAIOMRKVDBZ-UHFFFAOYSA-N 1 3 392.632 3.937 20 0 GHADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696469 893330015 /nfs/dbraw/zinc/33/00/15/893330015.db2.gz HYQXEFSXUWHHMQ-ZEQRLZLVSA-N 1 3 398.639 3.785 20 0 GHADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696469 893330031 /nfs/dbraw/zinc/33/00/31/893330031.db2.gz HYQXEFSXUWHHMQ-ZEQRLZLVSA-N 1 3 398.639 3.785 20 0 GHADHO CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000170702363 893393915 /nfs/dbraw/zinc/39/39/15/893393915.db2.gz OFDSMHBCNDKYSP-NRFANRHFSA-N 1 3 395.547 3.615 20 0 GHADHO CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000170702363 893393933 /nfs/dbraw/zinc/39/39/33/893393933.db2.gz OFDSMHBCNDKYSP-NRFANRHFSA-N 1 3 395.547 3.615 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877033858 893449213 /nfs/dbraw/zinc/44/92/13/893449213.db2.gz PRCOHPPGMKPQBI-WDJPJFJCSA-N 1 3 396.531 3.695 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877033858 893449224 /nfs/dbraw/zinc/44/92/24/893449224.db2.gz PRCOHPPGMKPQBI-WDJPJFJCSA-N 1 3 396.531 3.695 20 0 GHADHO Cc1ncc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439150 893725817 /nfs/dbraw/zinc/72/58/17/893725817.db2.gz FTOPRXHEOGXKPF-LPHOPBHVSA-N 1 3 380.458 3.920 20 0 GHADHO Cc1ncc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439150 893725832 /nfs/dbraw/zinc/72/58/32/893725832.db2.gz FTOPRXHEOGXKPF-LPHOPBHVSA-N 1 3 380.458 3.920 20 0 GHADHO C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746303 893786093 /nfs/dbraw/zinc/78/60/93/893786093.db2.gz LORLRLMSJRKHTD-BMRADRMJSA-N 1 3 381.486 3.821 20 0 GHADHO COc1ccc(-c2ccccc2)cc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877747173 893787684 /nfs/dbraw/zinc/78/76/84/893787684.db2.gz BOHOGEFBKFANGJ-UHFFFAOYSA-N 1 3 379.548 3.574 20 0 GHADHO Cc1c([C@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)nnn1-c1ccccc1 ZINC000536818756 893884884 /nfs/dbraw/zinc/88/48/84/893884884.db2.gz ADYMTBJHTZXPLY-KRWDZBQOSA-N 1 3 376.508 3.538 20 0 GHADHO CC(C)n1ncc2cc(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)c(Cl)nc21 ZINC000126818453 893919356 /nfs/dbraw/zinc/91/93/56/893919356.db2.gz NSPKAGMLFVUOIH-HZPDHXFCSA-N 1 3 393.963 3.645 20 0 GHADHO CCN(Cc1c(F)cccc1F)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000563715328 894098353 /nfs/dbraw/zinc/09/83/53/894098353.db2.gz IQFMKHHYCWTRTE-UHFFFAOYSA-N 1 3 393.522 3.510 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(CCC(C)C)CC3)CC2)CC1 ZINC000563821684 894228357 /nfs/dbraw/zinc/22/83/57/894228357.db2.gz AHYVYDKPIQZOES-UHFFFAOYSA-N 1 3 377.617 3.858 20 0 GHADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1c2ccccc2CCc2ccccc21 ZINC000563957779 894372438 /nfs/dbraw/zinc/37/24/38/894372438.db2.gz SKIYSLATAIDQFB-VXKWHMMOSA-N 1 3 389.543 3.771 20 0 GHADHO CCc1ccc(CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C2CC2)cc1 ZINC000563973064 894389008 /nfs/dbraw/zinc/38/90/08/894389008.db2.gz ZFPULXPWLOTXDJ-UHFFFAOYSA-N 1 3 397.607 3.936 20 0 GHADHO CN(C)[C@@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccsc1 ZINC000537166591 894476501 /nfs/dbraw/zinc/47/65/01/894476501.db2.gz RFCAEZYERMVTLA-PMACEKPBSA-N 1 3 385.577 3.929 20 0 GHADHO CN(C)[C@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1cccs1 ZINC000537167125 894476540 /nfs/dbraw/zinc/47/65/40/894476540.db2.gz RZWDHSLDBSIXOC-RTBURBONSA-N 1 3 385.577 3.929 20 0 GHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000564586294 895100461 /nfs/dbraw/zinc/10/04/61/895100461.db2.gz QTOMWEBBOJTZER-GOSISDBHSA-N 1 3 389.559 3.932 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000543763027 913954032 /nfs/dbraw/zinc/95/40/32/913954032.db2.gz XBOUQTOBDJPMIN-NNXSRULWSA-N 1 3 394.538 3.690 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000543763027 913954042 /nfs/dbraw/zinc/95/40/42/913954042.db2.gz XBOUQTOBDJPMIN-NNXSRULWSA-N 1 3 394.538 3.690 20 0 GHADHO Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000543763027 913954051 /nfs/dbraw/zinc/95/40/51/913954051.db2.gz XBOUQTOBDJPMIN-NNXSRULWSA-N 1 3 394.538 3.690 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)CC2)CC1 ZINC000565193260 895452265 /nfs/dbraw/zinc/45/22/65/895452265.db2.gz XLCRKGHHEVHECJ-GMAHTHKFSA-N 1 3 397.607 3.710 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3N(C)C(C)C)CC2)CC1 ZINC000565216160 895466433 /nfs/dbraw/zinc/46/64/33/895466433.db2.gz WLBUJDFRWOIIPC-UHFFFAOYSA-N 1 3 386.584 3.666 20 0 GHADHO CCCN1C[C@H](C[NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1=O ZINC000817589403 895757035 /nfs/dbraw/zinc/75/70/35/895757035.db2.gz NIMWKMFXTCTIJR-MOPGFXCFSA-N 1 3 387.568 3.590 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(F)c3C(C)(F)F)CC2)CC1 ZINC000880732927 895845294 /nfs/dbraw/zinc/84/52/94/895845294.db2.gz XAHBDVYQOQFCLJ-UHFFFAOYSA-N 1 3 398.473 3.618 20 0 GHADHO CN(CCN(C)C1CC[NH+](C)CC1)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000565767879 895863618 /nfs/dbraw/zinc/86/36/18/895863618.db2.gz YDSAVJLTQBBGHQ-UHFFFAOYSA-N 1 3 398.378 3.727 20 0 GHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000817892921 895952703 /nfs/dbraw/zinc/95/27/03/895952703.db2.gz WWFNGYFZTBMAEP-YBVWCTEOSA-N 1 3 393.487 3.550 20 0 GHADHO c1ccc(C[N@@H+]2CCCO[C@@H](CNC3(c4ccccc4)CCOCC3)C2)cc1 ZINC000565907310 895971540 /nfs/dbraw/zinc/97/15/40/895971540.db2.gz FTHFURNKOZGPDH-QHCPKHFHSA-N 1 3 380.532 3.573 20 0 GHADHO c1ccc(C[N@H+]2CCCO[C@@H](CNC3(c4ccccc4)CCOCC3)C2)cc1 ZINC000565907310 895971547 /nfs/dbraw/zinc/97/15/47/895971547.db2.gz FTHFURNKOZGPDH-QHCPKHFHSA-N 1 3 380.532 3.573 20 0 GHADHO [NH3+]CCc1ccc(CN[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)cc1 ZINC000817949266 895974896 /nfs/dbraw/zinc/97/48/96/895974896.db2.gz PKLFASRTMOUAGQ-VQTJNVASSA-N 1 3 389.337 3.960 20 0 GHADHO COCCOCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000566388284 896281669 /nfs/dbraw/zinc/28/16/69/896281669.db2.gz LAKKWKGSXSTITG-GBXCKJPGSA-N 1 3 382.548 3.992 20 0 GHADHO COCCOCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000566388284 896281680 /nfs/dbraw/zinc/28/16/80/896281680.db2.gz LAKKWKGSXSTITG-GBXCKJPGSA-N 1 3 382.548 3.992 20 0 GHADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1Br ZINC000818953365 896290641 /nfs/dbraw/zinc/29/06/41/896290641.db2.gz KINQSSFDPFUYLP-FQEVSTJZSA-N 1 3 389.337 3.868 20 0 GHADHO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000778554427 896565795 /nfs/dbraw/zinc/56/57/95/896565795.db2.gz YEVQXJWOLUIVCZ-NKKJXINNSA-N 1 3 391.559 3.678 20 0 GHADHO Cc1cccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000819330088 896572163 /nfs/dbraw/zinc/57/21/63/896572163.db2.gz YQJZSAHMZIGMSI-NHYNNZIHSA-N 1 3 394.559 3.910 20 0 GHADHO Cc1cccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000819330088 896572179 /nfs/dbraw/zinc/57/21/79/896572179.db2.gz YQJZSAHMZIGMSI-NHYNNZIHSA-N 1 3 394.559 3.910 20 0 GHADHO Cc1ccccc1[C@@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333094 896577542 /nfs/dbraw/zinc/57/75/42/896577542.db2.gz GDNUAECTCZBPQW-UPVQGACJSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccccc1[C@@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333094 896577555 /nfs/dbraw/zinc/57/75/55/896577555.db2.gz GDNUAECTCZBPQW-UPVQGACJSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccccc1[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000819333094 896577563 /nfs/dbraw/zinc/57/75/63/896577563.db2.gz GDNUAECTCZBPQW-UPVQGACJSA-N 1 3 394.559 3.547 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3ccsc3)CC2)CC1 ZINC000566923508 896700546 /nfs/dbraw/zinc/70/05/46/896700546.db2.gz INJZPYBRDPVXJZ-FQEVSTJZSA-N 1 3 375.582 3.608 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cn2ccc(Br)cc2n1 ZINC000567033217 896816042 /nfs/dbraw/zinc/81/60/42/896816042.db2.gz QIKICVUQNOIUQA-HNNXBMFYSA-N 1 3 379.346 3.841 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cn2ccc(Br)cc2n1 ZINC000567033217 896816056 /nfs/dbraw/zinc/81/60/56/896816056.db2.gz QIKICVUQNOIUQA-HNNXBMFYSA-N 1 3 379.346 3.841 20 0 GHADHO OC1(CCNCc2cnc(C3CCC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000883343056 897509407 /nfs/dbraw/zinc/50/94/07/897509407.db2.gz YKRYBSUKFLGJNQ-UHFFFAOYSA-N 1 3 385.577 3.917 20 0 GHADHO CCC1([NH3+])CCN(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)CC1 ZINC000883569483 897720540 /nfs/dbraw/zinc/72/05/40/897720540.db2.gz ZJFRNCGPKIAGBG-UHFFFAOYSA-N 1 3 394.947 3.548 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000568980509 898255878 /nfs/dbraw/zinc/25/58/78/898255878.db2.gz ZHSQMLNYIRHHJK-OAQYLSRUSA-N 1 3 380.536 3.556 20 0 GHADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c2ccccc21 ZINC000569349566 898566305 /nfs/dbraw/zinc/56/63/05/898566305.db2.gz OCSGBKGMGRBYJE-VHKYSDTDSA-N 1 3 380.442 3.878 20 0 GHADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(NC2=NCCC2)cc1 ZINC001136643852 898706543 /nfs/dbraw/zinc/70/65/43/898706543.db2.gz YXXFDSBAMURMNH-HXUWFJFHSA-N 1 3 390.531 3.585 20 0 GHADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(NC2=NCCC2)cc1 ZINC001136643852 898706552 /nfs/dbraw/zinc/70/65/52/898706552.db2.gz YXXFDSBAMURMNH-HXUWFJFHSA-N 1 3 390.531 3.585 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000824383938 899575932 /nfs/dbraw/zinc/57/59/32/899575932.db2.gz WNOHEVMEUMSUNC-RTBURBONSA-N 1 3 385.552 3.551 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccc(C(F)(F)F)c(Cl)c3)CC2)CC1 ZINC001143812766 900579414 /nfs/dbraw/zinc/57/94/14/900579414.db2.gz YQGMDQDFUKWPTK-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)(CC(C)C)CC3)CC2)CC1 ZINC000573933604 900704677 /nfs/dbraw/zinc/70/46/77/900704677.db2.gz ISWSPCBOXZJNCK-UHFFFAOYSA-N 1 3 377.617 3.858 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCCC4)[C@@H]3C(C)C)CC2)CC1 ZINC000573933634 900704865 /nfs/dbraw/zinc/70/48/65/900704865.db2.gz IYROAFNURVYHHO-NRFANRHFSA-N 1 3 375.601 3.610 20 0 GHADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000575233801 901170964 /nfs/dbraw/zinc/17/09/64/901170964.db2.gz CDACKJVCDTVNFH-UTKZUKDTSA-N 1 3 375.532 3.541 20 0 GHADHO OC1(c2cccnc2)CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886592029 901182011 /nfs/dbraw/zinc/18/20/11/901182011.db2.gz IRZJNVBYESKWIV-FWBPICPKSA-N 1 3 391.559 3.855 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)Cc2ccccc21 ZINC000844710250 901186092 /nfs/dbraw/zinc/18/60/92/901186092.db2.gz PFCFDQJTWXEJQK-HXUWFJFHSA-N 1 3 385.552 3.817 20 0 GHADHO c1ccc(COc2ccccc2CN2CCC(OCC[NH+]3CCCC3)CC2)nc1 ZINC000093735031 901561625 /nfs/dbraw/zinc/56/16/25/901561625.db2.gz DZIGPTWEEUTSJW-UHFFFAOYSA-N 1 3 395.547 3.737 20 0 GHADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893132 902338816 /nfs/dbraw/zinc/33/88/16/902338816.db2.gz WLDFKBWLSWMMNG-DSITVLBTSA-N 1 3 393.575 3.793 20 0 GHADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893132 902338825 /nfs/dbraw/zinc/33/88/25/902338825.db2.gz WLDFKBWLSWMMNG-DSITVLBTSA-N 1 3 393.575 3.793 20 0 GHADHO CCN(CC1(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)COC1)[C@@H]1CCOC(C)(C)C1 ZINC000577545709 902872791 /nfs/dbraw/zinc/87/27/91/902872791.db2.gz BIWQITBBWPJBQL-WOJBJXKFSA-N 1 3 396.616 3.562 20 0 GHADHO CCN(CC1(C[N@@H+](CC)[C@@H]2CCOC(C)(C)C2)COC1)[C@@H]1CCOC(C)(C)C1 ZINC000577545709 902872805 /nfs/dbraw/zinc/87/28/05/902872805.db2.gz BIWQITBBWPJBQL-WOJBJXKFSA-N 1 3 396.616 3.562 20 0 GHADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)Cc1ccccc1 ZINC001146747952 903600130 /nfs/dbraw/zinc/60/01/30/903600130.db2.gz FSPXNLGRKAZNQR-XUZZJYLKSA-N 1 3 393.575 3.578 20 0 GHADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)Cc1ccccc1 ZINC001146747952 903600133 /nfs/dbraw/zinc/60/01/33/903600133.db2.gz FSPXNLGRKAZNQR-XUZZJYLKSA-N 1 3 393.575 3.578 20 0 GHADHO COc1ccc([C@@H](NCC2(O)CC[NH+](C)CC2)c2ccc(Cl)cc2)cc1C ZINC000779068862 903806014 /nfs/dbraw/zinc/80/60/14/903806014.db2.gz CPRHFPHDZKNOPU-NRFANRHFSA-N 1 3 388.939 3.793 20 0 GHADHO C/C(=C/c1ccccc1OC(F)F)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000578687905 904053143 /nfs/dbraw/zinc/05/31/43/904053143.db2.gz XCXVEZAPRCHTEN-ICFOKQHNSA-N 1 3 381.511 3.649 20 0 GHADHO C/C(=C/c1ccccc1OC(F)F)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000578687905 904053158 /nfs/dbraw/zinc/05/31/58/904053158.db2.gz XCXVEZAPRCHTEN-ICFOKQHNSA-N 1 3 381.511 3.649 20 0 GHADHO Fc1cc2c(c(F)c1F)C[C@H]([NH2+]CC1CCN(Cc3cccnc3)CC1)CC2 ZINC001171522444 904801067 /nfs/dbraw/zinc/80/10/67/904801067.db2.gz WJXAUNNHCKKGKR-GOSISDBHSA-N 1 3 389.465 3.858 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(Cc3ccccc3)C(C)C)CC2)CC1 ZINC001171556746 904827497 /nfs/dbraw/zinc/82/74/97/904827497.db2.gz IGNZIAHOUCGRRQ-RUZDIDTESA-N 1 3 399.623 3.956 20 0 GHADHO COC(=O)c1cccc(C[NH2+]C2CCN([C@H]3CCc4c(C)cccc4C3)CC2)c1 ZINC001171579566 904848300 /nfs/dbraw/zinc/84/83/00/904848300.db2.gz QDETVUPFLVYXDK-QHCPKHFHSA-N 1 3 392.543 3.893 20 0 GHADHO C[NH+]1C(C)(C)CC(N[C@@H]2C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1(C)C ZINC001171630652 904851419 /nfs/dbraw/zinc/85/14/19/904851419.db2.gz RCUXKJVNRYEKRT-KBAYOESNSA-N 1 3 377.573 3.649 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@@H]2C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1(C)C ZINC001171630652 904851429 /nfs/dbraw/zinc/85/14/29/904851429.db2.gz RCUXKJVNRYEKRT-KBAYOESNSA-N 1 3 377.573 3.649 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)CC1(C)C ZINC001171637724 904926474 /nfs/dbraw/zinc/92/64/74/904926474.db2.gz NHXQXSJLFNGNHG-UHFFFAOYSA-N 1 3 398.595 3.690 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876437 905080417 /nfs/dbraw/zinc/08/04/17/905080417.db2.gz BLTJTRVJTFVMQO-REWPJTCUSA-N 1 3 379.548 3.778 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876437 905080438 /nfs/dbraw/zinc/08/04/38/905080438.db2.gz BLTJTRVJTFVMQO-REWPJTCUSA-N 1 3 379.548 3.778 20 0 GHADHO COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001172075621 905284074 /nfs/dbraw/zinc/28/40/74/905284074.db2.gz CMULHXBSBZOOIW-WKCHPHFGSA-N 1 3 379.504 3.544 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)C2 ZINC001172104276 905352913 /nfs/dbraw/zinc/35/29/13/905352913.db2.gz BFEKVRPWEFXSNU-BJESRGMDSA-N 1 3 383.580 3.652 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]21 ZINC001172123313 905383430 /nfs/dbraw/zinc/38/34/30/905383430.db2.gz ZNDUINNQBYODKM-IOOQWTENSA-N 1 3 382.596 3.629 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]21 ZINC001172123313 905383443 /nfs/dbraw/zinc/38/34/43/905383443.db2.gz ZNDUINNQBYODKM-IOOQWTENSA-N 1 3 382.596 3.629 20 0 GHADHO CC[C@@H](C)OCC[C@H](C)[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001172342424 905507819 /nfs/dbraw/zinc/50/78/19/905507819.db2.gz YXBLLHTXJSWKEQ-LEWJYISDSA-N 1 3 389.584 3.590 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)cc1 ZINC000628456940 906144068 /nfs/dbraw/zinc/14/40/68/906144068.db2.gz MRVNTKLKSUVXOC-UHFFFAOYSA-N 1 3 398.551 3.732 20 0 GHADHO COc1cccc2c1C[C@@H]([NH+]1CCC3(CC[C@@H]3N(C)Cc3ccco3)CC1)CO2 ZINC001173154200 906241069 /nfs/dbraw/zinc/24/10/69/906241069.db2.gz LEPQULUXLGXDGU-JPYJTQIMSA-N 1 3 396.531 3.968 20 0 GHADHO COc1cccc2c1C[C@@H](N1CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154200 906241082 /nfs/dbraw/zinc/24/10/82/906241082.db2.gz LEPQULUXLGXDGU-JPYJTQIMSA-N 1 3 396.531 3.968 20 0 GHADHO COc1cccc2c1C[C@@H](N1CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154200 906241095 /nfs/dbraw/zinc/24/10/95/906241095.db2.gz LEPQULUXLGXDGU-JPYJTQIMSA-N 1 3 396.531 3.968 20 0 GHADHO CC(C)[N@H+](CCCN)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173384037 906412693 /nfs/dbraw/zinc/41/26/93/906412693.db2.gz NEXWOXFCLXAZSS-SQNIBIBYSA-N 1 3 398.588 3.514 20 0 GHADHO CC(C)[N@@H+](CCCN)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173384037 906412701 /nfs/dbraw/zinc/41/27/01/906412701.db2.gz NEXWOXFCLXAZSS-SQNIBIBYSA-N 1 3 398.588 3.514 20 0 GHADHO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000180160991 906704032 /nfs/dbraw/zinc/70/40/32/906704032.db2.gz WJHJQFQHUFFQLB-ACIOBRDBSA-N 1 3 383.580 3.524 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000365999741 921279842 /nfs/dbraw/zinc/27/98/42/921279842.db2.gz LUMOXUIGAWBODP-KNQAVFIVSA-N 1 3 379.548 3.873 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000365999741 921279848 /nfs/dbraw/zinc/27/98/48/921279848.db2.gz LUMOXUIGAWBODP-KNQAVFIVSA-N 1 3 379.548 3.873 20 0 GHADHO O=S1(=O)CCC[C@@H](NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000182331674 907182636 /nfs/dbraw/zinc/18/26/36/907182636.db2.gz FMIOGHHZIRIDCA-JOCHJYFZSA-N 1 3 398.572 3.616 20 0 GHADHO COc1ccccc1[C@@H]1CSCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC001175946365 907858576 /nfs/dbraw/zinc/85/85/76/907858576.db2.gz IVIPCGCDFSCLRW-NRFANRHFSA-N 1 3 391.625 3.591 20 0 GHADHO COc1ccccc1[C@@H]1CSCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC001175946365 907858587 /nfs/dbraw/zinc/85/85/87/907858587.db2.gz IVIPCGCDFSCLRW-NRFANRHFSA-N 1 3 391.625 3.591 20 0 GHADHO C[C@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC001177416775 908570614 /nfs/dbraw/zinc/57/06/14/908570614.db2.gz WKJYHYJSLSZZDC-HUUCEWRRSA-N 1 3 381.483 3.544 20 0 GHADHO C[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CN1CCCCC1 ZINC001177416775 908570622 /nfs/dbraw/zinc/57/06/22/908570622.db2.gz WKJYHYJSLSZZDC-HUUCEWRRSA-N 1 3 381.483 3.544 20 0 GHADHO CCn1c2ccccc2nc1[C@H]1CCCN1CCCN1CC[NH+](C(C)C)CC1 ZINC000191542454 908640421 /nfs/dbraw/zinc/64/04/21/908640421.db2.gz IDHLDEMHCYKMTQ-JOCHJYFZSA-N 1 3 383.584 3.609 20 0 GHADHO Fc1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1-n1ccnc1 ZINC000067977598 908747998 /nfs/dbraw/zinc/74/79/98/908747998.db2.gz RYNMSYQPZOCXCM-UHFFFAOYSA-N 1 3 394.494 3.776 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000245843016 909956052 /nfs/dbraw/zinc/95/60/52/909956052.db2.gz DAFPPTTXVOLZQR-NJDAHSKKSA-N 1 3 387.568 3.586 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CCN(Cc2ccccc2)C1 ZINC001180194541 910030327 /nfs/dbraw/zinc/03/03/27/910030327.db2.gz GNVRLMXHNKKKSX-BWKNWUBXSA-N 1 3 397.607 3.915 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CCN(Cc2ccccc2)C1 ZINC001180194541 910030336 /nfs/dbraw/zinc/03/03/36/910030336.db2.gz GNVRLMXHNKKKSX-BWKNWUBXSA-N 1 3 397.607 3.915 20 0 GHADHO CN(CC(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1)C1CCCC1 ZINC001180629328 910276567 /nfs/dbraw/zinc/27/65/67/910276567.db2.gz UHRMWUSEXAOUHY-UHFFFAOYSA-N 1 3 383.580 3.766 20 0 GHADHO COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1C ZINC001181697577 910948066 /nfs/dbraw/zinc/94/80/66/910948066.db2.gz KYSGUYKKMJRHRP-XMMPIXPASA-N 1 3 378.516 3.880 20 0 GHADHO COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1C ZINC001181697577 910948078 /nfs/dbraw/zinc/94/80/78/910948078.db2.gz KYSGUYKKMJRHRP-XMMPIXPASA-N 1 3 378.516 3.880 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CNCc3cnc4ccc(Cl)cn34)cc2)CC1 ZINC000283918897 911691874 /nfs/dbraw/zinc/69/18/74/911691874.db2.gz IPPNAXXEGRQGIF-UHFFFAOYSA-N 1 3 384.911 3.751 20 0 GHADHO CC(C)C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000647293721 915139070 /nfs/dbraw/zinc/13/90/70/915139070.db2.gz YFJJGRYWUXITBR-QHCPKHFHSA-N 1 3 394.563 3.784 20 0 GHADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)c1OC ZINC000647977918 915459622 /nfs/dbraw/zinc/45/96/22/915459622.db2.gz JSYOHYMEDRXVQR-HUUCEWRRSA-N 1 3 397.357 3.678 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292351173 915631580 /nfs/dbraw/zinc/63/15/80/915631580.db2.gz YFPCEMGQHICYKL-CTNGQTDRSA-N 1 3 379.548 3.604 20 0 GHADHO O=C(C(C[C@H]1CCCO1)C(F)(F)F)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000649758587 916383609 /nfs/dbraw/zinc/38/36/09/916383609.db2.gz QYRJAUKTPPAUNM-MSOLQXFVSA-N 1 3 384.442 3.863 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)cc1CN1CCCCC1 ZINC000775365675 917192066 /nfs/dbraw/zinc/19/20/66/917192066.db2.gz YHHLFOLSVRYJPM-SIKLNZKXSA-N 1 3 398.547 3.772 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1ccc(C[NH3+])cc1F ZINC000650717735 917247117 /nfs/dbraw/zinc/24/71/17/917247117.db2.gz KSFKDBVGHXMTET-GFCCVEGCSA-N 1 3 394.288 3.554 20 0 GHADHO CCCOc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OCC ZINC000650722196 917248323 /nfs/dbraw/zinc/24/83/23/917248323.db2.gz MYLRHUISWUMFOQ-SFHLNBCPSA-N 1 3 376.541 3.735 20 0 GHADHO Cc1ccc(CCCN2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1 ZINC001191891179 918282577 /nfs/dbraw/zinc/28/25/77/918282577.db2.gz DTMLUZBJUKPHSW-UHFFFAOYSA-N 1 3 381.564 3.690 20 0 GHADHO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000297428810 919325788 /nfs/dbraw/zinc/32/57/88/919325788.db2.gz ZMLONQTWYSWAJS-SELNLUPBSA-N 1 3 398.595 3.521 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]Cc3ccncc3)CC2)c1 ZINC000119502922 919636071 /nfs/dbraw/zinc/63/60/71/919636071.db2.gz SWLBDSNQNVVOPC-UHFFFAOYSA-N 1 3 392.469 3.792 20 0 GHADHO CC(=O)N1CC[C@@H](NCc2ccc(OCCC[NH+](C)C)cc2)c2ccccc2C1 ZINC000368054655 922450573 /nfs/dbraw/zinc/45/05/73/922450573.db2.gz BNSHVZCDAFXPIS-XMMPIXPASA-N 1 3 395.547 3.600 20 0 GHADHO FC(F)(F)c1csc([C@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755540 923258395 /nfs/dbraw/zinc/25/83/95/923258395.db2.gz IVUUDMUKVBLDKF-KBPBESRZSA-N 1 3 389.487 3.500 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3[nH]nc4ccccc43)C[C@H]21 ZINC001137348554 924903969 /nfs/dbraw/zinc/90/39/69/924903969.db2.gz BQQTWDLUWINHII-HCLVMJGWSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3[nH]nc4ccccc43)C[C@H]21 ZINC001137348554 924903976 /nfs/dbraw/zinc/90/39/76/924903976.db2.gz BQQTWDLUWINHII-HCLVMJGWSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3[nH]nc4ccccc43)C[C@@H]21 ZINC001137348555 924904344 /nfs/dbraw/zinc/90/43/44/924904344.db2.gz BQQTWDLUWINHII-KPDCDPCYSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3[nH]nc4ccccc43)C[C@@H]21 ZINC001137348555 924904357 /nfs/dbraw/zinc/90/43/57/924904357.db2.gz BQQTWDLUWINHII-KPDCDPCYSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ncccc13)CC2 ZINC001137399028 925377592 /nfs/dbraw/zinc/37/75/92/925377592.db2.gz ICEJUHVGEODCNW-SFHVURJKSA-N 1 3 396.560 3.880 20 0 GHADHO COc1cc(Br)c(CN2CCC3(CC2)CC[NH+](C)CC3)c(OC)c1 ZINC001137462028 925918022 /nfs/dbraw/zinc/91/80/22/925918022.db2.gz RXJAKRBCEISJMQ-UHFFFAOYSA-N 1 3 397.357 3.774 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000411312102 926296169 /nfs/dbraw/zinc/29/61/69/926296169.db2.gz YPTWDWOJCXRWDM-HUUCEWRRSA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000411312102 926296177 /nfs/dbraw/zinc/29/61/77/926296177.db2.gz YPTWDWOJCXRWDM-HUUCEWRRSA-N 1 3 382.346 3.582 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2cccc(C(F)(F)F)c2)C2CCC2)CC1 ZINC000411704922 926659018 /nfs/dbraw/zinc/65/90/18/926659018.db2.gz VGSSELXUFQGIAP-FQEVSTJZSA-N 1 3 397.485 3.737 20 0 GHADHO COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000412348156 927362893 /nfs/dbraw/zinc/36/28/93/927362893.db2.gz XSDSCONAIUFOBI-HSZRJFAPSA-N 1 3 395.547 3.714 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000469166074 929646340 /nfs/dbraw/zinc/64/63/40/929646340.db2.gz SRJVQAHUHMBXDM-CALCHBBNSA-N 1 3 377.960 3.541 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000469166074 929646346 /nfs/dbraw/zinc/64/63/46/929646346.db2.gz SRJVQAHUHMBXDM-CALCHBBNSA-N 1 3 377.960 3.541 20 0 GHADHO COC(=O)c1ccccc1OCCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469771276 930151669 /nfs/dbraw/zinc/15/16/69/930151669.db2.gz ZDFBJXHCGUORRQ-MOJGAOKDSA-N 1 3 396.531 3.598 20 0 GHADHO COC(=O)c1ccccc1OCCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469771276 930151674 /nfs/dbraw/zinc/15/16/74/930151674.db2.gz ZDFBJXHCGUORRQ-MOJGAOKDSA-N 1 3 396.531 3.598 20 0 GHADHO CN1CC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000759517890 930392038 /nfs/dbraw/zinc/39/20/38/930392038.db2.gz GIUHOKKLUJUYTQ-VXKWHMMOSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920906 931030377 /nfs/dbraw/zinc/03/03/77/931030377.db2.gz BDHZBCYIPBUTBC-DYVFJYSZSA-N 1 3 394.346 3.993 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920906 931030381 /nfs/dbraw/zinc/03/03/81/931030381.db2.gz BDHZBCYIPBUTBC-DYVFJYSZSA-N 1 3 394.346 3.993 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611631 931445001 /nfs/dbraw/zinc/44/50/01/931445001.db2.gz ZFBUMRCAVZHXHE-GUDVDZBRSA-N 1 3 382.552 3.679 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(C(C)(C)O)cc1 ZINC000924722038 931515759 /nfs/dbraw/zinc/51/57/59/931515759.db2.gz JXHNHRABHDEACS-LJQANCHMSA-N 1 3 381.564 3.512 20 0 GHADHO CN1CCC([N@@H+]2CC[C@@H](N[C@@H](c3cccc(Cl)c3)c3ccccn3)C2)CC1 ZINC000925040956 931622257 /nfs/dbraw/zinc/62/22/57/931622257.db2.gz LRWHNFTVWVCTGY-KNQAVFIVSA-N 1 3 384.955 3.583 20 0 GHADHO CN1CCC([N@H+]2CC[C@@H](N[C@@H](c3cccc(Cl)c3)c3ccccn3)C2)CC1 ZINC000925040956 931622258 /nfs/dbraw/zinc/62/22/58/931622258.db2.gz LRWHNFTVWVCTGY-KNQAVFIVSA-N 1 3 384.955 3.583 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000557805402 931697025 /nfs/dbraw/zinc/69/70/25/931697025.db2.gz DLBUJFCGKPYDDY-KBXCAEBGSA-N 1 3 387.337 3.815 20 0 GHADHO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925221585 931707456 /nfs/dbraw/zinc/70/74/56/931707456.db2.gz MNKXAIFDXFLIFN-SFHVURJKSA-N 1 3 382.548 3.722 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000925557863 931822232 /nfs/dbraw/zinc/82/22/32/931822232.db2.gz QBPGSJMMLDEIDY-POEKJWFMSA-N 1 3 397.607 3.540 20 0 GHADHO CC[NH+]1CCC(CCN[C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)CC1 ZINC000796785617 932067441 /nfs/dbraw/zinc/06/74/41/932067441.db2.gz KYNOMELJNPGIJD-INIZCTEOSA-N 1 3 376.545 3.623 20 0 GHADHO CC[NH+](CC)CC1CCN([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559049567 932396540 /nfs/dbraw/zinc/39/65/40/932396540.db2.gz RDWNUDAUCGQESP-UWJYYQICSA-N 1 3 375.532 3.541 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCOC2CCOCC2)cc1CN1CCCCC1 ZINC000927076091 932402343 /nfs/dbraw/zinc/40/23/43/932402343.db2.gz QKRGCVRXZHCYQS-GOSISDBHSA-N 1 3 376.541 3.527 20 0 GHADHO CCN(CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000798273028 932585828 /nfs/dbraw/zinc/58/58/28/932585828.db2.gz OTNXJJVDDHHDOQ-ICSRJNTNSA-N 1 3 375.557 3.886 20 0 GHADHO CCN(CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000798273028 932585836 /nfs/dbraw/zinc/58/58/36/932585836.db2.gz OTNXJJVDDHHDOQ-ICSRJNTNSA-N 1 3 375.557 3.886 20 0 GHADHO C[C@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934045 932821768 /nfs/dbraw/zinc/82/17/68/932821768.db2.gz BQJDRDNHZGEVTF-CVDCTZTESA-N 1 3 375.520 3.830 20 0 GHADHO C[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934045 932821773 /nfs/dbraw/zinc/82/17/73/932821773.db2.gz BQJDRDNHZGEVTF-CVDCTZTESA-N 1 3 375.520 3.830 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3cn4ccccc4n3)CC2)c1 ZINC000559892089 932926891 /nfs/dbraw/zinc/92/68/91/932926891.db2.gz BOKWBQYFDIYPJS-OAQYLSRUSA-N 1 3 391.563 3.896 20 0 GHADHO Cc1cccc(N2CC[NH+](CCCCN[C@H](C)c3cn4ccccc4n3)CC2)c1 ZINC000559892089 932926896 /nfs/dbraw/zinc/92/68/96/932926896.db2.gz BOKWBQYFDIYPJS-OAQYLSRUSA-N 1 3 391.563 3.896 20 0 GHADHO Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000559894659 932927632 /nfs/dbraw/zinc/92/76/32/932927632.db2.gz SSYBIIJRXJSHLV-UNMCSNQZSA-N 1 3 379.548 3.969 20 0 GHADHO CC(C)c1ccc(C2(O)CCC([NH2+]CCN3CCN(C)C(C)(C)C3)CC2)cc1 ZINC000799726670 933100844 /nfs/dbraw/zinc/10/08/44/933100844.db2.gz QXNUTAYHKHZSNY-UHFFFAOYSA-N 1 3 387.612 3.556 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C[C@@H]1C(F)(F)F ZINC001119943401 934422008 /nfs/dbraw/zinc/42/20/08/934422008.db2.gz PBJMRJMXWWDQHA-NXOAAHMSSA-N 1 3 378.479 3.607 20 0 GHADHO CCOC(=O)CC(C)(C)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000561865487 934517294 /nfs/dbraw/zinc/51/72/94/934517294.db2.gz QWAYQRDYAOZBRF-OALUTQOASA-N 1 3 382.589 3.567 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000562191151 934752379 /nfs/dbraw/zinc/75/23/79/934752379.db2.gz CKUQOGJAFWARKT-OALUTQOASA-N 1 3 385.596 3.795 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000470143123 1016736005 /nfs/dbraw/zinc/73/60/05/1016736005.db2.gz JGGQSRVWYICISZ-BPUDTRNYSA-N 1 3 380.532 3.760 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000470143123 1016736021 /nfs/dbraw/zinc/73/60/21/1016736021.db2.gz JGGQSRVWYICISZ-BPUDTRNYSA-N 1 3 380.532 3.760 20 0 GHADHO C[C@@H](COc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)Oc1ccccc1 ZINC001227165433 1032303287 /nfs/dbraw/zinc/30/32/87/1032303287.db2.gz SOXDIODDBWJAHD-IBGZPJMESA-N 1 3 399.579 3.718 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001221794400 1032537480 /nfs/dbraw/zinc/53/74/80/1032537480.db2.gz LNJDIUHWTZOKAJ-KSEOMHKRSA-N 1 3 386.584 3.603 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001221794400 1032537485 /nfs/dbraw/zinc/53/74/85/1032537485.db2.gz LNJDIUHWTZOKAJ-KSEOMHKRSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2c(ccc3ccccc23)o1 ZINC000925852002 1017162904 /nfs/dbraw/zinc/16/29/04/1017162904.db2.gz BOHMWUANKZFYQI-WBVHZDCISA-N 1 3 378.472 3.922 20 0 GHADHO CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000563389905 1018909424 /nfs/dbraw/zinc/90/94/24/1018909424.db2.gz KBXRGWVENBDUBF-QHCPKHFHSA-N 1 3 379.548 3.527 20 0 GHADHO CN(CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961798 1020785426 /nfs/dbraw/zinc/78/54/26/1020785426.db2.gz ILVFVKJOQZCKDC-UZLBHIALSA-N 1 3 397.485 3.689 20 0 GHADHO CN(CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961798 1020785435 /nfs/dbraw/zinc/78/54/35/1020785435.db2.gz ILVFVKJOQZCKDC-UZLBHIALSA-N 1 3 397.485 3.689 20 0 GHADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1cc(C)c(C)o1)CC2 ZINC001204534671 1032956094 /nfs/dbraw/zinc/95/60/94/1032956094.db2.gz XBLAXNBWQCZNSG-NRFANRHFSA-N 1 3 390.568 3.626 20 0 GHADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1cc(C)c(C)o1)CC2 ZINC001204534671 1032956099 /nfs/dbraw/zinc/95/60/99/1032956099.db2.gz XBLAXNBWQCZNSG-NRFANRHFSA-N 1 3 390.568 3.626 20 0 GHADHO c1cn(-c2ncccc2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000834508280 1021231910 /nfs/dbraw/zinc/23/19/10/1021231910.db2.gz KQEGERYHSUAFRH-RJGXRXQPSA-N 1 3 387.531 3.800 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(C)(C)c3ccccc3)CC2)CC1 ZINC000654598000 1021280546 /nfs/dbraw/zinc/28/05/46/1021280546.db2.gz MTEIEHLCJKRVDL-UHFFFAOYSA-N 1 3 385.596 3.667 20 0 GHADHO CCCN(C)[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccc(Cl)cc1 ZINC001140391673 1021550193 /nfs/dbraw/zinc/55/01/93/1021550193.db2.gz ULSHPAXBLGPIDB-LJQANCHMSA-N 1 3 377.960 3.715 20 0 GHADHO CCCCc1ncc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001141070338 1023422562 /nfs/dbraw/zinc/42/25/62/1023422562.db2.gz VGMRFMYOOIVTHN-NYVOZVTQSA-N 1 3 381.568 3.880 20 0 GHADHO CCCCc1ncc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001141070338 1023422567 /nfs/dbraw/zinc/42/25/67/1023422567.db2.gz VGMRFMYOOIVTHN-NYVOZVTQSA-N 1 3 381.568 3.880 20 0 GHADHO COc1cccc(O[C@@H]2CCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC001138772625 1025342914 /nfs/dbraw/zinc/34/29/14/1025342914.db2.gz UQUIEAIVYGEPKF-HSZRJFAPSA-N 1 3 384.520 3.679 20 0 GHADHO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN(C)CCc2ccc(C)cc2)c1C ZINC001141573333 1025618487 /nfs/dbraw/zinc/61/84/87/1025618487.db2.gz VKFNSHKKIYRZPM-UHFFFAOYSA-N 1 3 398.595 3.686 20 0 GHADHO CN1CCN(c2cccc(N[C@@H](CC3CC[NH2+]CC3)c3ccccc3F)n2)CC1 ZINC001162235437 1025684340 /nfs/dbraw/zinc/68/43/40/1025684340.db2.gz FWIVXUCBADEHOG-NRFANRHFSA-N 1 3 397.542 3.515 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC001461049814 1069361110 /nfs/dbraw/zinc/36/11/10/1069361110.db2.gz ILPUUOFHLDIRCZ-UHFFFAOYSA-N 1 3 377.576 3.861 20 0 GHADHO c1ncn(-c2ccccc2C[N@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC001139423504 1026295584 /nfs/dbraw/zinc/29/55/84/1026295584.db2.gz YWPLELVGLSNVPK-XMMPIXPASA-N 1 3 387.531 3.755 20 0 GHADHO c1ncn(-c2ccccc2C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC001139423504 1026295591 /nfs/dbraw/zinc/29/55/91/1026295591.db2.gz YWPLELVGLSNVPK-XMMPIXPASA-N 1 3 387.531 3.755 20 0 GHADHO CN1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2)CC1 ZINC001164493331 1026531058 /nfs/dbraw/zinc/53/10/58/1026531058.db2.gz RUHOCNMJYCGVOL-FTBPSBKWSA-N 1 3 390.575 3.761 20 0 GHADHO CN1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2)CC1 ZINC001164493331 1026531065 /nfs/dbraw/zinc/53/10/65/1026531065.db2.gz RUHOCNMJYCGVOL-FTBPSBKWSA-N 1 3 390.575 3.761 20 0 GHADHO COc1ccc(CN(c2ccc(CN3CCCC3)cn2)C2CCC([NH3+])CC2)cc1 ZINC001165197254 1026658646 /nfs/dbraw/zinc/65/86/46/1026658646.db2.gz FFSMVNPIRKAQHZ-UHFFFAOYSA-N 1 3 394.563 3.963 20 0 GHADHO Brc1cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2c1OCCCO2 ZINC001202987547 1026741288 /nfs/dbraw/zinc/74/12/88/1026741288.db2.gz XSILKCINYAXCRB-SJORKVTESA-N 1 3 395.341 3.717 20 0 GHADHO Brc1cc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc2c1OCCCO2 ZINC001202987547 1026741298 /nfs/dbraw/zinc/74/12/98/1026741298.db2.gz XSILKCINYAXCRB-SJORKVTESA-N 1 3 395.341 3.717 20 0 GHADHO Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC001166996690 1027187077 /nfs/dbraw/zinc/18/70/77/1027187077.db2.gz ICHOORAVFLSQFR-HXUWFJFHSA-N 1 3 394.987 3.976 20 0 GHADHO COc1ccc(Oc2cccc(C[NH+]3CCC(N4CCN(C)CC4)CC3)c2)cc1 ZINC001203817982 1027628931 /nfs/dbraw/zinc/62/89/31/1027628931.db2.gz IBBIFYDDZWWRIG-UHFFFAOYSA-N 1 3 395.547 3.699 20 0 GHADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccc(F)cc1)CC2 ZINC001203914345 1027704052 /nfs/dbraw/zinc/70/40/52/1027704052.db2.gz RMBPRHSIWMNWTC-JOCHJYFZSA-N 1 3 390.543 3.555 20 0 GHADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccc(F)cc1)CC2 ZINC001203914345 1027704066 /nfs/dbraw/zinc/70/40/66/1027704066.db2.gz RMBPRHSIWMNWTC-JOCHJYFZSA-N 1 3 390.543 3.555 20 0 GHADHO COC(=O)[C@H]1CCCN(C2CC[NH+](Cc3ccc(OC)c4ccccc34)CC2)C1 ZINC001203997691 1027795098 /nfs/dbraw/zinc/79/50/98/1027795098.db2.gz WAKMRQQJNNZULT-IBGZPJMESA-N 1 3 396.531 3.698 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccsc1 ZINC001211237199 1027852299 /nfs/dbraw/zinc/85/22/99/1027852299.db2.gz RRAPUTYYSZNCIO-WSTZPKSXSA-N 1 3 394.629 3.798 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccsc1 ZINC001211237199 1027852315 /nfs/dbraw/zinc/85/23/15/1027852315.db2.gz RRAPUTYYSZNCIO-WSTZPKSXSA-N 1 3 394.629 3.798 20 0 GHADHO NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000840862985 1027899088 /nfs/dbraw/zinc/89/90/88/1027899088.db2.gz DCQZKLMMBNPHPR-ODAXIHTASA-N 1 3 393.531 3.892 20 0 GHADHO C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000840865730 1027901817 /nfs/dbraw/zinc/90/18/17/1027901817.db2.gz VFMSEARLGKMRTR-NYVOZVTQSA-N 1 3 381.520 3.607 20 0 GHADHO CCOc1cc(CNCc2ccc(CC[NH3+])cc2)cc(Br)c1OC ZINC000841036302 1028059347 /nfs/dbraw/zinc/05/93/47/1028059347.db2.gz QFKADRJWCRESRJ-UHFFFAOYSA-N 1 3 393.325 3.647 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001461345405 1069511142 /nfs/dbraw/zinc/51/11/42/1069511142.db2.gz NASVVGGQBHQCRP-ZEQRLZLVSA-N 1 3 380.532 3.733 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC001461349152 1069512598 /nfs/dbraw/zinc/51/25/98/1069512598.db2.gz ZHDICGKCXDXZAS-SJORKVTESA-N 1 3 387.749 3.570 20 0 GHADHO Cc1cc2oc(=O)cc(CN3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)c2cc1C(C)C ZINC000842479453 1029315732 /nfs/dbraw/zinc/31/57/32/1029315732.db2.gz SXYNLWXSHKIXKT-SIKLNZKXSA-N 1 3 398.547 3.943 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1CN1CCCCC1 ZINC000842917018 1029683063 /nfs/dbraw/zinc/68/30/63/1029683063.db2.gz SJOUKLBVNNXGHD-MBSDFSHPSA-N 1 3 390.568 3.509 20 0 GHADHO FC(F)(F)Oc1cc(Br)ccc1CN1CCC2(C[NH2+]C2)CC1 ZINC001222204121 1030000676 /nfs/dbraw/zinc/00/06/76/1030000676.db2.gz SSSUOOWSMQGDMX-UHFFFAOYSA-N 1 3 379.220 3.533 20 0 GHADHO c1[nH]c2ccc(OCc3ccccc3)cc2c1CN1CCC2(CC1)C[NH2+]CCO2 ZINC001222208454 1030005622 /nfs/dbraw/zinc/00/56/22/1030005622.db2.gz LYOMRTYFRZMJCQ-UHFFFAOYSA-N 1 3 391.515 3.701 20 0 GHADHO CC(C)Oc1ccc(-c2ccc(CN3CCOCC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001222407860 1030112586 /nfs/dbraw/zinc/11/25/86/1030112586.db2.gz PFCYYMBVTJEYJR-UHFFFAOYSA-N 1 3 395.547 3.738 20 0 GHADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC001149519404 1030204905 /nfs/dbraw/zinc/20/49/05/1030204905.db2.gz QFEMRXOJHXQHSU-FGZHOGPDSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC001149519404 1030204920 /nfs/dbraw/zinc/20/49/20/1030204920.db2.gz QFEMRXOJHXQHSU-FGZHOGPDSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001218859474 1031120621 /nfs/dbraw/zinc/12/06/21/1031120621.db2.gz APNHXEIABYNBEC-KRWDZBQOSA-N 1 3 375.513 3.552 20 0 GHADHO CC[C@@]1(C(=O)Nc2cccc3c2CN(C)C[C@@H]3c2ccccc2)CCC[NH2+]C1 ZINC001219047053 1031229435 /nfs/dbraw/zinc/22/94/35/1031229435.db2.gz PAYAFRZWSROTMU-HYBUGGRVSA-N 1 3 377.532 3.982 20 0 GHADHO CCc1cc(Oc2cccc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)c2)ccc1Cl ZINC001219230483 1031315516 /nfs/dbraw/zinc/31/55/16/1031315516.db2.gz LTJDAIISZIIVFO-FQEVSTJZSA-N 1 3 387.911 3.960 20 0 GHADHO C[NH+]1C(C)(C)CC(NC(=O)[C@@H](N)Cc2ccc(-c3ccccc3)cc2)CC1(C)C ZINC001220508945 1031969420 /nfs/dbraw/zinc/96/94/20/1031969420.db2.gz DLHLAUDYKJTZNY-QFIPXVFZSA-N 1 3 393.575 3.991 20 0 GHADHO N[C@H]1CC[N@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@@H]1F ZINC001206200887 1033761134 /nfs/dbraw/zinc/76/11/34/1033761134.db2.gz UCJAMYKYKLGNGA-IRXDYDNUSA-N 1 3 383.389 3.908 20 0 GHADHO N[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@@H]1F ZINC001206200887 1033761149 /nfs/dbraw/zinc/76/11/49/1033761149.db2.gz UCJAMYKYKLGNGA-IRXDYDNUSA-N 1 3 383.389 3.908 20 0 GHADHO CN(Cc1ccc(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)nc1)C1CC1 ZINC001158454229 1034085439 /nfs/dbraw/zinc/08/54/39/1034085439.db2.gz PDPYYTKWHLLWKO-UHFFFAOYSA-N 1 3 382.527 3.916 20 0 GHADHO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@H]1CN(Cc3ccccc3)C[C@H]1C)C2 ZINC001207102368 1034093790 /nfs/dbraw/zinc/09/37/90/1034093790.db2.gz OIKMNBNQKWLKSE-ABWWWTPGSA-N 1 3 384.564 3.856 20 0 GHADHO CN1CCC(N(c2cc3nc(Cl)cnc3cc2Cl)C2CC[NH2+]CC2)CC1 ZINC001158581489 1034166797 /nfs/dbraw/zinc/16/67/97/1034166797.db2.gz UVPMUMRFVBOMPY-UHFFFAOYSA-N 1 3 394.350 3.589 20 0 GHADHO c1cc2c(ccnc2N2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)o1 ZINC001207292551 1034245891 /nfs/dbraw/zinc/24/58/91/1034245891.db2.gz UGTCQQNWHYVLLE-UHFFFAOYSA-N 1 3 390.531 3.862 20 0 GHADHO COc1cccc(CC[NH+]2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC001207427864 1034364745 /nfs/dbraw/zinc/36/47/45/1034364745.db2.gz IFPBAFJKYJUBMH-QHCPKHFHSA-N 1 3 394.559 3.993 20 0 GHADHO Cc1cc2ccncc2nc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159466702 1034607498 /nfs/dbraw/zinc/60/74/98/1034607498.db2.gz JZWBKKNDOPOGCV-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO CSCc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001159466065 1034608419 /nfs/dbraw/zinc/60/84/19/1034608419.db2.gz CNOLCMCAGXFYGI-UHFFFAOYSA-N 1 3 380.561 3.854 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc4ccc(Cl)nc4[nH]3)c3ccccc23)CC1 ZINC001159466522 1034608512 /nfs/dbraw/zinc/60/85/12/1034608512.db2.gz GSSBHNBEUIKQMT-UHFFFAOYSA-N 1 3 394.910 3.521 20 0 GHADHO Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001159539336 1034652548 /nfs/dbraw/zinc/65/25/48/1034652548.db2.gz CZQRXNMGFULBCL-UHFFFAOYSA-N 1 3 394.563 3.759 20 0 GHADHO CCOC[C@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cn(CC3CCCC3)nc21 ZINC001208106908 1034739171 /nfs/dbraw/zinc/73/91/71/1034739171.db2.gz IUIYFKDWEIXIHZ-OAQYLSRUSA-N 1 3 388.600 3.741 20 0 GHADHO CC1=C[C@H](C)[C@H](C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CC1 ZINC001208175964 1034775606 /nfs/dbraw/zinc/77/56/06/1034775606.db2.gz OOBNPWWRWJCTGE-GMAHTHKFSA-N 1 3 383.580 3.988 20 0 GHADHO Cc1sc2ccccc2c1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001231643699 1034801745 /nfs/dbraw/zinc/80/17/45/1034801745.db2.gz OGZVDXHLMHNAJL-UHFFFAOYSA-N 1 3 395.572 3.534 20 0 GHADHO Cc1sc2ccccc2c1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001231643699 1034801754 /nfs/dbraw/zinc/80/17/54/1034801754.db2.gz OGZVDXHLMHNAJL-UHFFFAOYSA-N 1 3 395.572 3.534 20 0 GHADHO CCOc1ccc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001231654241 1034812159 /nfs/dbraw/zinc/81/21/59/1034812159.db2.gz SEJMWGBSCILFAT-JOCHJYFZSA-N 1 3 395.547 3.736 20 0 GHADHO CCOc1ccc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001231654241 1034812164 /nfs/dbraw/zinc/81/21/64/1034812164.db2.gz SEJMWGBSCILFAT-JOCHJYFZSA-N 1 3 395.547 3.736 20 0 GHADHO CCCOc1ncccc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001231860303 1034949083 /nfs/dbraw/zinc/94/90/83/1034949083.db2.gz BZQIIUHBGBBKCM-FQEVSTJZSA-N 1 3 399.535 3.719 20 0 GHADHO CCCOc1ncccc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001231860303 1034949087 /nfs/dbraw/zinc/94/90/87/1034949087.db2.gz BZQIIUHBGBBKCM-FQEVSTJZSA-N 1 3 399.535 3.719 20 0 GHADHO Cc1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(C)n1 ZINC001231997353 1035032156 /nfs/dbraw/zinc/03/21/56/1035032156.db2.gz AVDYCFUTZVGMHN-QHCPKHFHSA-N 1 3 379.548 3.954 20 0 GHADHO Cc1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(C)n1 ZINC001231997353 1035032162 /nfs/dbraw/zinc/03/21/62/1035032162.db2.gz AVDYCFUTZVGMHN-QHCPKHFHSA-N 1 3 379.548 3.954 20 0 GHADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CCCCN1C1CCCC1 ZINC001160737979 1035049371 /nfs/dbraw/zinc/04/93/71/1035049371.db2.gz APWADAPUJDGFHD-YADHBBJMSA-N 1 3 375.601 3.944 20 0 GHADHO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCCCN1C1CCCC1 ZINC001160737979 1035049375 /nfs/dbraw/zinc/04/93/75/1035049375.db2.gz APWADAPUJDGFHD-YADHBBJMSA-N 1 3 375.601 3.944 20 0 GHADHO Clc1ccccc1CCC[N@@H+]1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001208872508 1035069964 /nfs/dbraw/zinc/06/99/64/1035069964.db2.gz OHVPBSPHUBMHCH-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO Clc1ccccc1CCC[N@H+]1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001208872508 1035069973 /nfs/dbraw/zinc/06/99/73/1035069973.db2.gz OHVPBSPHUBMHCH-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccc(C)nc1C)CC2 ZINC001232082032 1035083259 /nfs/dbraw/zinc/08/32/59/1035083259.db2.gz LQAFGTDJKKDFNV-HSZRJFAPSA-N 1 3 394.563 3.597 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccc(C)nc1C)CC2 ZINC001232082032 1035083265 /nfs/dbraw/zinc/08/32/65/1035083265.db2.gz LQAFGTDJKKDFNV-HSZRJFAPSA-N 1 3 394.563 3.597 20 0 GHADHO CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1NC1=CCN(C)CC1 ZINC001208909877 1035085309 /nfs/dbraw/zinc/08/53/09/1035085309.db2.gz ILDVNHYBTIAPFV-UHFFFAOYSA-N 1 3 389.540 3.605 20 0 GHADHO O=C(c1ccccc1)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208945568 1035115684 /nfs/dbraw/zinc/11/56/84/1035115684.db2.gz RCCWXUJVKSBKJW-HSZRJFAPSA-N 1 3 391.559 3.747 20 0 GHADHO O=C(c1ccccc1)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208945568 1035115688 /nfs/dbraw/zinc/11/56/88/1035115688.db2.gz RCCWXUJVKSBKJW-HSZRJFAPSA-N 1 3 391.559 3.747 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232146681 1035125517 /nfs/dbraw/zinc/12/55/17/1035125517.db2.gz YCENBRGJUYRNKM-MRXNPFEDSA-N 1 3 379.520 3.576 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232146681 1035125521 /nfs/dbraw/zinc/12/55/21/1035125521.db2.gz YCENBRGJUYRNKM-MRXNPFEDSA-N 1 3 379.520 3.576 20 0 GHADHO C[C@H]1C[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958610 1035129014 /nfs/dbraw/zinc/12/90/14/1035129014.db2.gz PWOUNHGPPJWQCG-FPOVZHCZSA-N 1 3 387.568 3.840 20 0 GHADHO C[C@H]1C[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958610 1035129017 /nfs/dbraw/zinc/12/90/17/1035129017.db2.gz PWOUNHGPPJWQCG-FPOVZHCZSA-N 1 3 387.568 3.840 20 0 GHADHO Cc1nc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)cc(N(C)C)n1 ZINC001161577230 1035262836 /nfs/dbraw/zinc/26/28/36/1035262836.db2.gz IHSXKDQQVSJWPD-UHFFFAOYSA-N 1 3 393.457 3.603 20 0 GHADHO c1cncc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(N4CCCC4)nc2)CC3)c1 ZINC001209624987 1035335257 /nfs/dbraw/zinc/33/52/57/1035335257.db2.gz UEPIRVJXIGMMMA-UHFFFAOYSA-N 1 3 391.563 3.565 20 0 GHADHO c1cncc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(N4CCCC4)nc2)CC3)c1 ZINC001209624987 1035335259 /nfs/dbraw/zinc/33/52/59/1035335259.db2.gz UEPIRVJXIGMMMA-UHFFFAOYSA-N 1 3 391.563 3.565 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc3ccccc32)CC1 ZINC001246010938 1037131919 /nfs/dbraw/zinc/13/19/19/1037131919.db2.gz OFGOALNQJJTIBZ-FCHUYYIVSA-N 1 3 382.454 3.628 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001246054753 1037169031 /nfs/dbraw/zinc/16/90/31/1037169031.db2.gz POWLQKNABSQJFY-SLFFLAALSA-N 1 3 378.438 3.773 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001246054753 1037169043 /nfs/dbraw/zinc/16/90/43/1037169043.db2.gz POWLQKNABSQJFY-SLFFLAALSA-N 1 3 378.438 3.773 20 0 GHADHO O[C@@H](COc1cccc2[nH]c3ccccc3c21)CN(C1CCC1)C1CC[NH2+]CC1 ZINC001246072416 1037188660 /nfs/dbraw/zinc/18/86/60/1037188660.db2.gz ZNYMMTXBOSMCGI-LJQANCHMSA-N 1 3 393.531 3.667 20 0 GHADHO O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+](C1CCC1)C1CCNCC1 ZINC001246072416 1037188669 /nfs/dbraw/zinc/18/86/69/1037188669.db2.gz ZNYMMTXBOSMCGI-LJQANCHMSA-N 1 3 393.531 3.667 20 0 GHADHO O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C1CCC1)C1CCNCC1 ZINC001246072416 1037188683 /nfs/dbraw/zinc/18/86/83/1037188683.db2.gz ZNYMMTXBOSMCGI-LJQANCHMSA-N 1 3 393.531 3.667 20 0 GHADHO Fc1cc(Br)c(F)c(CN[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1F ZINC001246080204 1037189019 /nfs/dbraw/zinc/18/90/19/1037189019.db2.gz FVCQMDDLOKNOEF-MGPLVRAMSA-N 1 3 377.248 3.878 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N[C@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246270587 1037266668 /nfs/dbraw/zinc/26/66/68/1037266668.db2.gz MMPBFOLYEFTZFI-ULQDDVLXSA-N 1 3 398.332 3.515 20 0 GHADHO Fc1ccc(C2([NH2+][C@H]3Cc4ccc(Br)cc4C3)CCNCC2)cc1 ZINC001246335907 1037299243 /nfs/dbraw/zinc/29/92/43/1037299243.db2.gz KDTJYSWJWAANCD-IBGZPJMESA-N 1 3 389.312 3.924 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356935 1037315487 /nfs/dbraw/zinc/31/54/87/1037315487.db2.gz XGPCSNQKPCGDMJ-QZTJIDSGSA-N 1 3 383.502 3.969 20 0 GHADHO COc1cccc(CN2CC[C@H](N[C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361963 1037321700 /nfs/dbraw/zinc/32/17/00/1037321700.db2.gz PPONRKLZUBANGS-HFMPRLQTSA-N 1 3 397.538 3.800 20 0 GHADHO COc1cccc(CN2CC[C@H](N[C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361961 1037323359 /nfs/dbraw/zinc/32/33/59/1037323359.db2.gz PPONRKLZUBANGS-DPLHUUCSSA-N 1 3 397.538 3.800 20 0 GHADHO COc1ccc(C2([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c4C3)CCNCC2)cc1 ZINC001246381053 1037340881 /nfs/dbraw/zinc/34/08/81/1037340881.db2.gz NQAQSPVTZJTQDV-MRXNPFEDSA-N 1 3 390.449 3.838 20 0 GHADHO COC(=O)CC1CCC([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)CC1 ZINC001246392847 1037351682 /nfs/dbraw/zinc/35/16/82/1037351682.db2.gz PDZMDFFKTUIMCD-UHFFFAOYSA-N 1 3 378.944 3.716 20 0 GHADHO COC(=O)C1(C)CCC([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)CC1 ZINC001246428108 1037386387 /nfs/dbraw/zinc/38/63/87/1037386387.db2.gz HZORBXBMVYGCPK-UHFFFAOYSA-N 1 3 378.944 3.716 20 0 GHADHO CCCC[C@@H]1C[C@@H](NC[C@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246508108 1037447282 /nfs/dbraw/zinc/44/72/82/1037447282.db2.gz CZRFQSJMDNNLIX-QGTPRVQTSA-N 1 3 381.358 3.901 20 0 GHADHO CCCC[C@@H]1C[C@@H](NC[C@@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246508107 1037448254 /nfs/dbraw/zinc/44/82/54/1037448254.db2.gz CZRFQSJMDNNLIX-OLMNPRSZSA-N 1 3 381.358 3.901 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+]3CCC[C@@]34CCCNC4)CC[C@H]2C1 ZINC001246610649 1037504185 /nfs/dbraw/zinc/50/41/85/1037504185.db2.gz QXFYDUPLVIRBIR-GRSYGWAWSA-N 1 3 381.564 3.535 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCC[C@@]34CCCNC4)CC[C@H]2C1 ZINC001246610649 1037504215 /nfs/dbraw/zinc/50/42/15/1037504215.db2.gz QXFYDUPLVIRBIR-GRSYGWAWSA-N 1 3 381.564 3.535 20 0 GHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)N1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246635544 1037520891 /nfs/dbraw/zinc/52/08/91/1037520891.db2.gz CKIUZDDRKVWJAY-CJNGLKHVSA-N 1 3 378.385 3.837 20 0 GHADHO CC[C@H]1[N@@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724645 1037575190 /nfs/dbraw/zinc/57/51/90/1037575190.db2.gz WDYLTUNNVKCPDV-GJPOJAMWSA-N 1 3 375.601 3.799 20 0 GHADHO CC[C@H]1[N@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724645 1037575194 /nfs/dbraw/zinc/57/51/94/1037575194.db2.gz WDYLTUNNVKCPDV-GJPOJAMWSA-N 1 3 375.601 3.799 20 0 GHADHO CC[C@@H]1C[C@H](N2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246755237 1037596125 /nfs/dbraw/zinc/59/61/25/1037596125.db2.gz HYVUSDMMGVETEJ-OEMYIYORSA-N 1 3 375.582 3.795 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246803761 1037637957 /nfs/dbraw/zinc/63/79/57/1037637957.db2.gz CYMWXIQUNUCBJF-QRVBRYPASA-N 1 3 380.374 3.706 20 0 GHADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246836333 1037665276 /nfs/dbraw/zinc/66/52/76/1037665276.db2.gz XHQHNXRMJPIXKI-UEQSERJNSA-N 1 3 381.539 3.552 20 0 GHADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C3C[C@@H](CC)[NH2+][C@H](CC)C3)C1)C2 ZINC001246882136 1037697670 /nfs/dbraw/zinc/69/76/70/1037697670.db2.gz WVRSKXGGFMXIKY-DBYOASNMSA-N 1 3 384.564 3.891 20 0 GHADHO O=C(c1ccc(Cl)cc1Cl)N1CCN([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246892032 1037707879 /nfs/dbraw/zinc/70/78/79/1037707879.db2.gz OTZJQSQODSPDMK-OXJNMPFZSA-N 1 3 396.362 3.674 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)[C@@H]2CCc3c(C)cccc3C2)c1 ZINC001246954025 1037763563 /nfs/dbraw/zinc/76/35/63/1037763563.db2.gz GBZVHMPDJRTSJO-HSZRJFAPSA-N 1 3 392.543 3.893 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)[C@@H]2CCc3c(C)cccc3C2)c1 ZINC001246954025 1037763580 /nfs/dbraw/zinc/76/35/80/1037763580.db2.gz GBZVHMPDJRTSJO-HSZRJFAPSA-N 1 3 392.543 3.893 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246958760 1037775656 /nfs/dbraw/zinc/77/56/56/1037775656.db2.gz GTPKSCHJKOVKQJ-DYESRHJHSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246958760 1037775675 /nfs/dbraw/zinc/77/56/75/1037775675.db2.gz GTPKSCHJKOVKQJ-DYESRHJHSA-N 1 3 376.516 3.810 20 0 GHADHO Cc1cccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1OCc1ccccc1 ZINC001232400842 1038185187 /nfs/dbraw/zinc/18/51/87/1038185187.db2.gz ZUPMEKQQPQIXGQ-BJKOFHAPSA-N 1 3 393.575 3.784 20 0 GHADHO Cc1cccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1OCc1ccccc1 ZINC001232400842 1038185190 /nfs/dbraw/zinc/18/51/90/1038185190.db2.gz ZUPMEKQQPQIXGQ-BJKOFHAPSA-N 1 3 393.575 3.784 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4ncoc4c3)C[C@H]21 ZINC001232942487 1038722504 /nfs/dbraw/zinc/72/25/04/1038722504.db2.gz ZXJKHEKSMZHBQH-CZTZKLFOSA-N 1 3 376.504 3.955 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4ncoc4c3)C[C@H]21 ZINC001232942487 1038722515 /nfs/dbraw/zinc/72/25/15/1038722515.db2.gz ZXJKHEKSMZHBQH-CZTZKLFOSA-N 1 3 376.504 3.955 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124725 1038910681 /nfs/dbraw/zinc/91/06/81/1038910681.db2.gz OMLKRPLGXLKIFF-NIJIEXERSA-N 1 3 393.510 3.830 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124725 1038910683 /nfs/dbraw/zinc/91/06/83/1038910683.db2.gz OMLKRPLGXLKIFF-NIJIEXERSA-N 1 3 393.510 3.830 20 0 GHADHO COc1cccc(CN2CCC(C[NH+](C)C)CC2)c1NC(=O)OC(C)(C)C ZINC001233128358 1038912821 /nfs/dbraw/zinc/91/28/21/1038912821.db2.gz IQXOYQVKQHXTAR-UHFFFAOYSA-N 1 3 377.529 3.816 20 0 GHADHO COC(=O)/C=C/c1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001233299814 1039092689 /nfs/dbraw/zinc/09/26/89/1039092689.db2.gz PBGJWAWEHITSFD-VAWYXSNFSA-N 1 3 390.527 3.971 20 0 GHADHO COc1cccc([C@@H]2CCCN(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933167 1039271175 /nfs/dbraw/zinc/27/11/75/1039271175.db2.gz DYNRMCNVQRFMSZ-ISKFKSNPSA-N 1 3 380.532 3.512 20 0 GHADHO COc1cccc([C@@H]2CCCN(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933167 1039271186 /nfs/dbraw/zinc/27/11/86/1039271186.db2.gz DYNRMCNVQRFMSZ-ISKFKSNPSA-N 1 3 380.532 3.512 20 0 GHADHO COc1ccccc1[C@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254029084 1039963462 /nfs/dbraw/zinc/96/34/62/1039963462.db2.gz AOONKGSTEYNJPT-NRFANRHFSA-N 1 3 380.532 3.512 20 0 GHADHO COc1ccccc1[C@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254029084 1039963464 /nfs/dbraw/zinc/96/34/64/1039963464.db2.gz AOONKGSTEYNJPT-NRFANRHFSA-N 1 3 380.532 3.512 20 0 GHADHO Cc1ccccc1O[C@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035925 1039967381 /nfs/dbraw/zinc/96/73/81/1039967381.db2.gz DDYHWFNFKXQTBI-QHCPKHFHSA-N 1 3 394.559 3.865 20 0 GHADHO Cc1ccccc1O[C@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035925 1039967388 /nfs/dbraw/zinc/96/73/88/1039967388.db2.gz DDYHWFNFKXQTBI-QHCPKHFHSA-N 1 3 394.559 3.865 20 0 GHADHO OC1(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CCN(Cc2ccccc2)CC1 ZINC001254035761 1039967542 /nfs/dbraw/zinc/96/75/42/1039967542.db2.gz BGYUZLKVVYCXBK-TZRRMPRUSA-N 1 3 398.591 3.541 20 0 GHADHO OC1(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CCN(Cc2ccccc2)CC1 ZINC001254035761 1039967548 /nfs/dbraw/zinc/96/75/48/1039967548.db2.gz BGYUZLKVVYCXBK-TZRRMPRUSA-N 1 3 398.591 3.541 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CC[N@@H+]3C3CCCCCC3)C2)cc1 ZINC001254392683 1040207197 /nfs/dbraw/zinc/20/71/97/1040207197.db2.gz VHXYKOUIKHUSIB-JTHBVZDNSA-N 1 3 398.595 3.666 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CC[N@H+]3C3CCCCCC3)C2)cc1 ZINC001254392683 1040207203 /nfs/dbraw/zinc/20/72/03/1040207203.db2.gz VHXYKOUIKHUSIB-JTHBVZDNSA-N 1 3 398.595 3.666 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001254765312 1040526259 /nfs/dbraw/zinc/52/62/59/1040526259.db2.gz SIDHGYFLSYTNNB-SFHVURJKSA-N 1 3 377.573 3.773 20 0 GHADHO COC(=O)c1ccc(COc2ccccc2CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001235105506 1040593581 /nfs/dbraw/zinc/59/35/81/1040593581.db2.gz FWOOWHBGTVDPBY-UHFFFAOYSA-N 1 3 394.515 3.628 20 0 GHADHO Fc1ccccc1CN1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001255108189 1040788607 /nfs/dbraw/zinc/78/86/07/1040788607.db2.gz LGKIYJUFOIUHBR-QHCPKHFHSA-N 1 3 381.539 3.902 20 0 GHADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(Cc1ccc(F)cc1Cl)C2 ZINC001235323437 1040792496 /nfs/dbraw/zinc/79/24/96/1040792496.db2.gz FIKDEOVZALMSAI-GHTZIAJQSA-N 1 3 394.918 3.624 20 0 GHADHO COc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150932 1040870627 /nfs/dbraw/zinc/87/06/27/1040870627.db2.gz QCEDPETZIBBEBR-CLAROIROSA-N 1 3 393.531 3.739 20 0 GHADHO COc1cccnc1O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150932 1040870636 /nfs/dbraw/zinc/87/06/36/1040870636.db2.gz QCEDPETZIBBEBR-CLAROIROSA-N 1 3 393.531 3.739 20 0 GHADHO c1ccc([C@@]23CC[NH2+]C[C@H]2CN(Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372336 1040880128 /nfs/dbraw/zinc/88/01/28/1040880128.db2.gz TYQCOUIVVISRLS-ZCYQVOJMSA-N 1 3 384.527 3.897 20 0 GHADHO c1ccc([C@@]23CCNC[C@H]2C[N@H+](Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372336 1040880145 /nfs/dbraw/zinc/88/01/45/1040880145.db2.gz TYQCOUIVVISRLS-ZCYQVOJMSA-N 1 3 384.527 3.897 20 0 GHADHO c1ccc([C@@]23CCNC[C@H]2C[N@@H+](Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372336 1040880154 /nfs/dbraw/zinc/88/01/54/1040880154.db2.gz TYQCOUIVVISRLS-ZCYQVOJMSA-N 1 3 384.527 3.897 20 0 GHADHO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C(F)(F)F)c1OC ZINC001235429601 1040930807 /nfs/dbraw/zinc/93/08/07/1040930807.db2.gz USPKPPRFBKIDNG-GJZGRUSLSA-N 1 3 386.458 3.934 20 0 GHADHO Cc1ccc(I)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235432870 1040933110 /nfs/dbraw/zinc/93/31/10/1040933110.db2.gz WSZOSOWINGPWNG-CVEARBPZSA-N 1 3 398.332 3.811 20 0 GHADHO Cc1c(I)cccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432854 1040933866 /nfs/dbraw/zinc/93/38/66/1040933866.db2.gz WSVXBWSTTOGUIT-DOTOQJQBSA-N 1 3 398.332 3.811 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H](N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001255349597 1040955761 /nfs/dbraw/zinc/95/57/61/1040955761.db2.gz LJCWEBYVGNWECZ-PKOBYXMFSA-N 1 3 378.944 3.798 20 0 GHADHO O=C(c1ccsc1)N1CCC2(CCN(CCC[NH2+]C3CCCCC3)C2)CC1 ZINC001235539436 1040980730 /nfs/dbraw/zinc/98/07/30/1040980730.db2.gz YTBVHKPCHYOERS-UHFFFAOYSA-N 1 3 389.609 3.989 20 0 GHADHO Cc1cccc(CN2CC[C@]3(CCN(CCC[NH2+]C4CCCCC4)C3)C2=O)c1 ZINC001235568673 1040991886 /nfs/dbraw/zinc/99/18/86/1040991886.db2.gz GOGFBZHLLHAKBX-DEOSSOPVSA-N 1 3 383.580 3.732 20 0 GHADHO O=C(NC1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1)N1CCCCC1 ZINC001255410246 1040999722 /nfs/dbraw/zinc/99/97/22/1040999722.db2.gz SESUZPXINFADSR-HSZRJFAPSA-N 1 3 398.595 3.701 20 0 GHADHO O=C(NC1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1)N1CCCCC1 ZINC001255410246 1040999725 /nfs/dbraw/zinc/99/97/25/1040999725.db2.gz SESUZPXINFADSR-HSZRJFAPSA-N 1 3 398.595 3.701 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001255918803 1041403182 /nfs/dbraw/zinc/40/31/82/1041403182.db2.gz XGGUEYQKCVGKIQ-OAQYLSRUSA-N 1 3 399.579 3.984 20 0 GHADHO Cn1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c2cc(Br)ccc21 ZINC001235884076 1041410754 /nfs/dbraw/zinc/41/07/54/1041410754.db2.gz SJBJUOHUXZFWTR-GOSISDBHSA-N 1 3 376.342 3.905 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001255939333 1041427976 /nfs/dbraw/zinc/42/79/76/1041427976.db2.gz BSRFTDWXVGLHEV-VNTMZGSJSA-N 1 3 381.605 3.980 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001255961947 1041442660 /nfs/dbraw/zinc/44/26/60/1041442660.db2.gz RAVGOHPHQBROBI-MDNUFGMLSA-N 1 3 389.584 3.590 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001255961947 1041442665 /nfs/dbraw/zinc/44/26/65/1041442665.db2.gz RAVGOHPHQBROBI-MDNUFGMLSA-N 1 3 389.584 3.590 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+]CCc2sccc2Br)CC1 ZINC001462543830 1070346818 /nfs/dbraw/zinc/34/68/18/1070346818.db2.gz TYGSDHXWGBYQDQ-UHFFFAOYSA-N 1 3 387.387 3.676 20 0 GHADHO Cc1cc(OC2CC[NH2+]CC2)nc(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236004072 1041494720 /nfs/dbraw/zinc/49/47/20/1041494720.db2.gz JTMODFBOMKRAOG-UHFFFAOYSA-N 1 3 384.499 3.708 20 0 GHADHO Cc1cc(CN2CCC[C@H](N3CC(C[NH3+])C3)C2)ccc1Oc1ccc(F)cc1 ZINC001236082757 1041526018 /nfs/dbraw/zinc/52/60/18/1041526018.db2.gz NHTMQUQVLYAOTR-NRFANRHFSA-N 1 3 383.511 3.781 20 0 GHADHO FC(F)(F)c1ccccc1-c1ccc(CN2CCC(N3CC[NH2+]CC3)CC2)o1 ZINC001236128525 1041556523 /nfs/dbraw/zinc/55/65/23/1041556523.db2.gz LFBKYUXBWORSMI-UHFFFAOYSA-N 1 3 393.453 3.835 20 0 GHADHO CC(C)c1cc(Br)ccc1CN1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001236622463 1041788669 /nfs/dbraw/zinc/78/86/69/1041788669.db2.gz OGKZNLZDGYWDCZ-SFHVURJKSA-N 1 3 380.374 3.570 20 0 GHADHO CC(C)c1ccc(CN2CCC([N@@H+]3CC[C@@H](N)C3)CC2)c(Br)c1 ZINC001236624099 1041789911 /nfs/dbraw/zinc/78/99/11/1041789911.db2.gz YUBPNEKGTFINFS-QGZVFWFLSA-N 1 3 380.374 3.570 20 0 GHADHO CC(C)c1ccc(CN2CCC([N@H+]3CC[C@@H](N)C3)CC2)c(Br)c1 ZINC001236624099 1041789915 /nfs/dbraw/zinc/78/99/15/1041789915.db2.gz YUBPNEKGTFINFS-QGZVFWFLSA-N 1 3 380.374 3.570 20 0 GHADHO COc1ccccc1CN(Cc1cnc2cccc(C)n12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700618 1041840813 /nfs/dbraw/zinc/84/08/13/1041840813.db2.gz MVQHBBBSLHZQDY-MXVIHJGJSA-N 1 3 378.520 3.923 20 0 GHADHO NC(=O)c1cccc(CN2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)c1 ZINC001237693884 1042328799 /nfs/dbraw/zinc/32/87/99/1042328799.db2.gz HUZIBYRRVOUXMF-UHFFFAOYSA-N 1 3 383.561 3.725 20 0 GHADHO NC(=O)c1cccc(CN2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001237698774 1042330801 /nfs/dbraw/zinc/33/08/01/1042330801.db2.gz ZQECNFXNOLWJHS-UHFFFAOYSA-N 1 3 377.532 3.664 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccc(-c4ccc(Cl)cn4)cc3)CC2)CC1 ZINC001238686484 1042684274 /nfs/dbraw/zinc/68/42/74/1042684274.db2.gz BGZDLDFKPPWKAY-UHFFFAOYSA-N 1 3 398.982 3.861 20 0 GHADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1c(Cl)cc(Cl)cc1Cl ZINC001239216327 1042788034 /nfs/dbraw/zinc/78/80/34/1042788034.db2.gz NUXMUTOREROULA-LLVKDONJSA-N 1 3 391.730 3.643 20 0 GHADHO C[C@@H]1C[C@@H](NCCc2nc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001256523369 1043450705 /nfs/dbraw/zinc/45/07/05/1043450705.db2.gz OMXVKBUHSSQUAO-NQIIRXRSSA-N 1 3 376.504 3.922 20 0 GHADHO C[C@@H]1C[C@@H](NCCc2nc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001256523369 1043450709 /nfs/dbraw/zinc/45/07/09/1043450709.db2.gz OMXVKBUHSSQUAO-NQIIRXRSSA-N 1 3 376.504 3.922 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CCN1Cc1ccccc1 ZINC001256534622 1043470281 /nfs/dbraw/zinc/47/02/81/1043470281.db2.gz SWASBYKXYSDYTL-CTNGQTDRSA-N 1 3 395.547 3.782 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256535011 1043473078 /nfs/dbraw/zinc/47/30/78/1043473078.db2.gz WFVABARANKPKPP-AUSIDOKSSA-N 1 3 380.532 3.935 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256535011 1043473094 /nfs/dbraw/zinc/47/30/94/1043473094.db2.gz WFVABARANKPKPP-AUSIDOKSSA-N 1 3 380.532 3.935 20 0 GHADHO CCN(CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613562 1043576725 /nfs/dbraw/zinc/57/67/25/1043576725.db2.gz PKPOPFDEEPSTLS-UHFFFAOYSA-N 1 3 375.557 3.840 20 0 GHADHO FC(F)(F)c1ccc([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)nc1 ZINC001256685871 1043620879 /nfs/dbraw/zinc/62/08/79/1043620879.db2.gz IIIJUGACWHNLGZ-FAFZWHIHSA-N 1 3 383.458 3.785 20 0 GHADHO Fc1ccccc1[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CCOCC1 ZINC001256686628 1043622451 /nfs/dbraw/zinc/62/24/51/1043622451.db2.gz RJJSKTMFXLDBQH-OBFZPWGMSA-N 1 3 376.516 3.526 20 0 GHADHO CCOc1cc2c(cc1OCC)CN(C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001256864992 1043709018 /nfs/dbraw/zinc/70/90/18/1043709018.db2.gz PIPCLIQNHCVVBO-UHFFFAOYSA-N 1 3 381.520 3.906 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001257039616 1043814905 /nfs/dbraw/zinc/81/49/05/1043814905.db2.gz LKTVTVXFIBPXDY-HKUYNNGSSA-N 1 3 378.944 3.873 20 0 GHADHO COCCN(C)[C@H](CNC1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC001258012148 1044337929 /nfs/dbraw/zinc/33/79/29/1044337929.db2.gz TYEQOBYDMTWHAA-OAQYLSRUSA-N 1 3 381.992 3.669 20 0 GHADHO CCOC(=O)CC1(N)CC[NH+]([C@H](C)CC(C)(C)SCc2ccco2)CC1 ZINC001258304172 1044499382 /nfs/dbraw/zinc/49/93/82/1044499382.db2.gz GASKFNNNXNNFPX-MRXNPFEDSA-N 1 3 382.570 3.817 20 0 GHADHO C[C@H](CC(C)(C)SCc1ccco1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001258315018 1044504928 /nfs/dbraw/zinc/50/49/28/1044504928.db2.gz ZRAWYHIIADGOFV-LJQANCHMSA-N 1 3 379.614 3.783 20 0 GHADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)C[C@@H]3CCCCN3Cc3ccccc3)C[N@@H+]2C1 ZINC001303171507 1047302834 /nfs/dbraw/zinc/30/28/34/1047302834.db2.gz VTUKUBGEKNNRON-ADHNFCLRSA-N 1 3 383.580 3.620 20 0 GHADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)C[C@@H]3CCCCN3Cc3ccccc3)C[N@H+]2C1 ZINC001303171507 1047302849 /nfs/dbraw/zinc/30/28/49/1047302849.db2.gz VTUKUBGEKNNRON-ADHNFCLRSA-N 1 3 383.580 3.620 20 0 GHADHO CC(C)Oc1ccc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)cc1Cl ZINC001279313441 1047764565 /nfs/dbraw/zinc/76/45/65/1047764565.db2.gz ONINXKLDOGELQO-UHFFFAOYSA-N 1 3 379.976 3.587 20 0 GHADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3c(F)cc(Cl)cc3Cl)C[C@H]2CC1 ZINC001279404737 1047795532 /nfs/dbraw/zinc/79/55/32/1047795532.db2.gz BBXIBTZTBABUIX-GASCZTMLSA-N 1 3 388.358 3.838 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3c(F)cc(Cl)cc3Cl)C[C@H]2CC1 ZINC001279404737 1047795536 /nfs/dbraw/zinc/79/55/36/1047795536.db2.gz BBXIBTZTBABUIX-GASCZTMLSA-N 1 3 388.358 3.838 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC001306840491 1048922669 /nfs/dbraw/zinc/92/26/69/1048922669.db2.gz DBIVLPAXVYWMMI-YFXJRYMSSA-N 1 3 397.563 3.850 20 0 GHADHO COC(=O)c1cccc(OCCN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001307659622 1049484377 /nfs/dbraw/zinc/48/43/77/1049484377.db2.gz UHSUWILZKGZMFP-MOJGAOKDSA-N 1 3 396.531 3.598 20 0 GHADHO COC(=O)c1cccc(OCCN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001307659622 1049484383 /nfs/dbraw/zinc/48/43/83/1049484383.db2.gz UHSUWILZKGZMFP-MOJGAOKDSA-N 1 3 396.531 3.598 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001307670799 1049492077 /nfs/dbraw/zinc/49/20/77/1049492077.db2.gz UDTLZNYBTQAYEV-INDMIFKZSA-N 1 3 379.589 3.922 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]12CN(CCC[NH+]3CCCCC3)C[C@@H]1CCCC2 ZINC001308172136 1049899618 /nfs/dbraw/zinc/89/96/18/1049899618.db2.gz CMZHTOWCPJVOSY-UGKGYDQZSA-N 1 3 379.589 3.879 20 0 GHADHO Cc1cc(C2OCCO2)c(C)cc1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC001308198030 1049909649 /nfs/dbraw/zinc/90/96/49/1049909649.db2.gz XEKPAYYZVZZFKZ-UHFFFAOYSA-N 1 3 380.532 3.887 20 0 GHADHO Cc1cc(C2OCCO2)c(C)cc1CNCCC[N@H+]1CCc2ccccc2C1 ZINC001308198030 1049909652 /nfs/dbraw/zinc/90/96/52/1049909652.db2.gz XEKPAYYZVZZFKZ-UHFFFAOYSA-N 1 3 380.532 3.887 20 0 GHADHO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001308281123 1049935870 /nfs/dbraw/zinc/93/58/70/1049935870.db2.gz IUPFJWFKVXCKEC-KDURUIRLSA-N 1 3 384.568 3.777 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)CCN(Cc2ccccc2)C1 ZINC001308565837 1050011763 /nfs/dbraw/zinc/01/17/63/1050011763.db2.gz UHCXPKWBBAGUMF-ILBGXUMGSA-N 1 3 399.623 3.579 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CC[C@H](CN3CCOCC3)C2)CCN(Cc2ccccc2)C1 ZINC001308565837 1050011767 /nfs/dbraw/zinc/01/17/67/1050011767.db2.gz UHCXPKWBBAGUMF-ILBGXUMGSA-N 1 3 399.623 3.579 20 0 GHADHO c1ccc(C(CN2CC[C@@H]3OCCC[C@@H]3C2)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019096 1051633093 /nfs/dbraw/zinc/63/30/93/1051633093.db2.gz LELQTTMOSFSCHA-SDZTWWDVSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc(C(CN2CC[C@@H]3OCCC[C@@H]3C2)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019096 1051633105 /nfs/dbraw/zinc/63/31/05/1051633105.db2.gz LELQTTMOSFSCHA-SDZTWWDVSA-N 1 3 398.591 3.772 20 0 GHADHO CC(C)n1ncc2cc(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c(Cl)nc21 ZINC001335581559 1052134652 /nfs/dbraw/zinc/13/46/52/1052134652.db2.gz FDLWNMROBMUQBC-YXJHDRRASA-N 1 3 375.948 3.828 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001311565941 1052249053 /nfs/dbraw/zinc/24/90/53/1052249053.db2.gz HEQBCJQBLDDRJL-LJQANCHMSA-N 1 3 392.613 3.575 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001311711578 1052348830 /nfs/dbraw/zinc/34/88/30/1052348830.db2.gz CRKAEKRSIJPRLX-SYYKKAFVSA-N 1 3 384.568 3.528 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001311711578 1052348835 /nfs/dbraw/zinc/34/88/35/1052348835.db2.gz CRKAEKRSIJPRLX-SYYKKAFVSA-N 1 3 384.568 3.528 20 0 GHADHO CC(C)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1Cl ZINC001311978956 1052511162 /nfs/dbraw/zinc/51/11/62/1052511162.db2.gz ZOHKPSVMWPIBFR-QFBILLFUSA-N 1 3 382.980 3.608 20 0 GHADHO CC(C)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1Cl ZINC001311978956 1052511167 /nfs/dbraw/zinc/51/11/67/1052511167.db2.gz ZOHKPSVMWPIBFR-QFBILLFUSA-N 1 3 382.980 3.608 20 0 GHADHO C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)N(C)Cc1ccccc1 ZINC001311986498 1052514775 /nfs/dbraw/zinc/51/47/75/1052514775.db2.gz LACKEMLKUGCNIH-DENIHFKCSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)N(C)Cc1ccccc1 ZINC001311986498 1052514782 /nfs/dbraw/zinc/51/47/82/1052514782.db2.gz LACKEMLKUGCNIH-DENIHFKCSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC001312995757 1052929494 /nfs/dbraw/zinc/92/94/94/1052929494.db2.gz ZRTSERJCPVUDEG-AVRDEDQJSA-N 1 3 399.583 3.677 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC001312995757 1052929496 /nfs/dbraw/zinc/92/94/96/1052929496.db2.gz ZRTSERJCPVUDEG-AVRDEDQJSA-N 1 3 399.583 3.677 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC001313186816 1052980728 /nfs/dbraw/zinc/98/07/28/1052980728.db2.gz PNYBZAKRXRFJNX-QFIPXVFZSA-N 1 3 398.595 3.619 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccc4c(c3)CCC(C)(C)O4)c2)CC1 ZINC001322650596 1056784734 /nfs/dbraw/zinc/78/47/34/1056784734.db2.gz OOTUVFZCBOCFJD-UHFFFAOYSA-N 1 3 393.575 3.827 20 0 GHADHO CC(C)N(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000848237462 1056929015 /nfs/dbraw/zinc/92/90/15/1056929015.db2.gz CUGRUDSSXIPIJN-XMMPIXPASA-N 1 3 393.575 3.916 20 0 GHADHO CC(C)c1ccccc1CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000848537017 1057158425 /nfs/dbraw/zinc/15/84/25/1057158425.db2.gz ZZLRGRGAUGEMGE-JOCHJYFZSA-N 1 3 379.548 3.797 20 0 GHADHO CC(C)c1ccccc1CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000848537017 1057158429 /nfs/dbraw/zinc/15/84/29/1057158429.db2.gz ZZLRGRGAUGEMGE-JOCHJYFZSA-N 1 3 379.548 3.797 20 0 GHADHO CC(C)Oc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849061725 1057572658 /nfs/dbraw/zinc/57/26/58/1057572658.db2.gz DIYOCSQOKFZZMA-UHFFFAOYSA-N 1 3 380.536 3.752 20 0 GHADHO [NH2+]=C(NCc1ccccc1OCC1CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849090080 1057589708 /nfs/dbraw/zinc/58/97/08/1057589708.db2.gz RAMHCVLBFURSRP-UHFFFAOYSA-N 1 3 392.547 3.754 20 0 GHADHO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC001440633706 1058551922 /nfs/dbraw/zinc/55/19/22/1058551922.db2.gz BJKGJBHORSLABL-NHCUHLMSSA-N 1 3 385.596 3.710 20 0 GHADHO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC001440633706 1058551940 /nfs/dbraw/zinc/55/19/40/1058551940.db2.gz BJKGJBHORSLABL-NHCUHLMSSA-N 1 3 385.596 3.710 20 0 GHADHO C[N@H+](Cc1ccccc1NC(=O)c1cc2n(n1)CCC[C@H]2N)C1CCCCC1 ZINC001340774814 1060114800 /nfs/dbraw/zinc/11/48/00/1060114800.db2.gz VWFFLRXGILPRHV-GOSISDBHSA-N 1 3 381.524 3.694 20 0 GHADHO C[N@@H+](Cc1ccccc1NC(=O)c1cc2n(n1)CCC[C@H]2N)C1CCCCC1 ZINC001340774814 1060114815 /nfs/dbraw/zinc/11/48/15/1060114815.db2.gz VWFFLRXGILPRHV-GOSISDBHSA-N 1 3 381.524 3.694 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001453209075 1061092396 /nfs/dbraw/zinc/09/23/96/1061092396.db2.gz GOOQVMPHPUQNJP-WMZOPIPTSA-N 1 3 393.641 3.901 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001453209075 1061092411 /nfs/dbraw/zinc/09/24/11/1061092411.db2.gz GOOQVMPHPUQNJP-WMZOPIPTSA-N 1 3 393.641 3.901 20 0 GHADHO COc1cccc(-c2nc3ccccc3c(NCC[N@H+](C)CCCN(C)C)n2)c1 ZINC001458478957 1063835392 /nfs/dbraw/zinc/83/53/92/1063835392.db2.gz OPMJQJDUGBTEAJ-UHFFFAOYSA-N 1 3 393.535 3.601 20 0 GHADHO COc1cccc(-c2nc3ccccc3c(NCC[N@@H+](C)CCCN(C)C)n2)c1 ZINC001458478957 1063835401 /nfs/dbraw/zinc/83/54/01/1063835401.db2.gz OPMJQJDUGBTEAJ-UHFFFAOYSA-N 1 3 393.535 3.601 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCCCC[C@H]3C(C)C)cc2)CC1 ZINC001459830670 1064236317 /nfs/dbraw/zinc/23/63/17/1064236317.db2.gz MAYBAIBTIRBVQE-QFIPXVFZSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCCCC[C@H]3C(C)C)cc2)CC1 ZINC001459830670 1064236320 /nfs/dbraw/zinc/23/63/20/1064236320.db2.gz MAYBAIBTIRBVQE-QFIPXVFZSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2cccs2)s1 ZINC001464697757 1065161976 /nfs/dbraw/zinc/16/19/76/1065161976.db2.gz UMUMQZCLGYCCAH-MRXNPFEDSA-N 1 3 391.606 3.965 20 0 GHADHO CC[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001467674806 1067412218 /nfs/dbraw/zinc/41/22/18/1067412218.db2.gz BBWRIZQGHPNTLT-JTHBVZDNSA-N 1 3 398.595 3.530 20 0 GHADHO CC[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001467674806 1067412231 /nfs/dbraw/zinc/41/22/31/1067412231.db2.gz BBWRIZQGHPNTLT-JTHBVZDNSA-N 1 3 398.595 3.530 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460615143 1069033380 /nfs/dbraw/zinc/03/33/80/1069033380.db2.gz IOAPGZYPQFEFET-OFNKIYASSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460615143 1069033393 /nfs/dbraw/zinc/03/33/93/1069033393.db2.gz IOAPGZYPQFEFET-OFNKIYASSA-N 1 3 379.548 3.535 20 0 GHADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001470416915 1072540638 /nfs/dbraw/zinc/54/06/38/1072540638.db2.gz YJJZAUWSKHDOFM-YADHBBJMSA-N 1 3 388.600 3.614 20 0 GHADHO C[C@H]1[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001478766707 1078979965 /nfs/dbraw/zinc/97/99/65/1078979965.db2.gz RTNADOGNROBZOC-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001478766707 1078979966 /nfs/dbraw/zinc/97/99/66/1078979966.db2.gz RTNADOGNROBZOC-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO CCCCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001473275614 1073902603 /nfs/dbraw/zinc/90/26/03/1073902603.db2.gz JJUBZUCDBGLLID-OAQYLSRUSA-N 1 3 386.584 3.812 20 0 GHADHO CCCCC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001473275614 1073902607 /nfs/dbraw/zinc/90/26/07/1073902607.db2.gz JJUBZUCDBGLLID-OAQYLSRUSA-N 1 3 386.584 3.812 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C4CCOCC4)C3)cc2)CC1 ZINC001473935669 1074210292 /nfs/dbraw/zinc/21/02/92/1074210292.db2.gz BULDUVXFXZECCG-JWQCQUIFSA-N 1 3 399.623 3.899 20 0 GHADHO CN1CCN(c2ccc(CC[NH2+]Cc3csc(-c4cccs4)n3)cc2)CC1 ZINC001474304483 1074332241 /nfs/dbraw/zinc/33/22/41/1074332241.db2.gz TYEWJANOHPVOTE-UHFFFAOYSA-N 1 3 398.601 3.956 20 0 GHADHO Cc1ccccc1OCCN(C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001474405961 1074391810 /nfs/dbraw/zinc/39/18/10/1074391810.db2.gz LAPOAQZWWABYQA-UHFFFAOYSA-N 1 3 392.446 3.889 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585794 607808419 /nfs/dbraw/zinc/80/84/19/607808419.db2.gz UDFWTKKLXJVOCQ-HBFSDRIKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585794 607808420 /nfs/dbraw/zinc/80/84/20/607808420.db2.gz UDFWTKKLXJVOCQ-HBFSDRIKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585794 607808421 /nfs/dbraw/zinc/80/84/21/607808421.db2.gz UDFWTKKLXJVOCQ-HBFSDRIKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585794 607808422 /nfs/dbraw/zinc/80/84/22/607808422.db2.gz UDFWTKKLXJVOCQ-HBFSDRIKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824956019 609345811 /nfs/dbraw/zinc/34/58/11/609345811.db2.gz PROPVXORCHVEFZ-FAEJEUNOSA-N 1 3 386.519 3.700 20 0 GHADHO c1ccc(C[N@H+]2C[C@H]3CCCN(c4ncccc4CN4CCCC4)[C@@H]3C2)cc1 ZINC001164622280 719111190 /nfs/dbraw/zinc/11/11/90/719111190.db2.gz BPRWQZKCRXMCQY-FYYLOGMGSA-N 1 3 376.548 3.778 20 0 GHADHO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ncccc4CN4CCCC4)[C@@H]3C2)cc1 ZINC001164622280 719111192 /nfs/dbraw/zinc/11/11/92/719111192.db2.gz BPRWQZKCRXMCQY-FYYLOGMGSA-N 1 3 376.548 3.778 20 0 GHADHO CCCOc1ccc([C@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000655691396 837671712 /nfs/dbraw/zinc/67/17/12/837671712.db2.gz AEWACGIOIIOCFJ-FXAWDEMLSA-N 1 3 376.541 3.778 20 0 GHADHO COc1ccc(Cc2nc(C)c([C@H](C)N[C@H]3CCC[C@H]([NH3+])C3)s2)cc1OC ZINC000423374978 837721993 /nfs/dbraw/zinc/72/19/93/837721993.db2.gz ILYLNBUOZCWRLK-JQFCIGGWSA-N 1 3 389.565 3.980 20 0 GHADHO C[NH+](C)CCc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000579694643 834393851 /nfs/dbraw/zinc/39/38/51/834393851.db2.gz IVSKAZQZTFDZFD-UHFFFAOYSA-N 1 3 397.588 3.634 20 0 GHADHO Cc1cccc(NC(=O)[C@@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821431 834689344 /nfs/dbraw/zinc/68/93/44/834689344.db2.gz FFHVJMJEASDTFB-LJQANCHMSA-N 1 3 380.536 3.956 20 0 GHADHO C[C@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000246486674 834904211 /nfs/dbraw/zinc/90/42/11/834904211.db2.gz OZKIIQQMYXOAOP-CEXWTWQISA-N 1 3 377.598 3.663 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccc(C)cc4)C3)CC2)CC1 ZINC000654997488 834936344 /nfs/dbraw/zinc/93/63/44/834936344.db2.gz ZBRUCIRUYXMMEJ-JOCHJYFZSA-N 1 3 383.580 3.507 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000583812128 835073016 /nfs/dbraw/zinc/07/30/16/835073016.db2.gz RLZZTGNZWRBFPI-XPNTWCBSSA-N 1 3 385.596 3.663 20 0 GHADHO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000685632470 835240345 /nfs/dbraw/zinc/24/03/45/835240345.db2.gz ZLGTWXPDNWXOBJ-FQEVSTJZSA-N 1 3 375.520 3.864 20 0 GHADHO c1ncn(-c2ccccc2C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)n1 ZINC000685632440 835240613 /nfs/dbraw/zinc/24/06/13/835240613.db2.gz SNVOYZYHKNMVGH-NRFANRHFSA-N 1 3 375.520 3.659 20 0 GHADHO COC[C@]1(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655626 835269333 /nfs/dbraw/zinc/26/93/33/835269333.db2.gz BVDKAVZWEQYBNP-OPHFCASCSA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655626 835269338 /nfs/dbraw/zinc/26/93/38/835269338.db2.gz BVDKAVZWEQYBNP-OPHFCASCSA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655626 835269343 /nfs/dbraw/zinc/26/93/43/835269343.db2.gz BVDKAVZWEQYBNP-OPHFCASCSA-N 1 3 394.559 3.601 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccc(C4CC4)cc3)CC2)CC1 ZINC000583944705 835276441 /nfs/dbraw/zinc/27/64/41/835276441.db2.gz UOFSBYKHXFNLEV-SFHVURJKSA-N 1 3 383.580 3.938 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142201 835453962 /nfs/dbraw/zinc/45/39/62/835453962.db2.gz DMBWYDZFJFSNHP-DNVCBOLYSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142201 835453964 /nfs/dbraw/zinc/45/39/64/835453964.db2.gz DMBWYDZFJFSNHP-DNVCBOLYSA-N 1 3 376.447 3.705 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1NC(C)=O ZINC000658166218 835482069 /nfs/dbraw/zinc/48/20/69/835482069.db2.gz NEDSUUHPZOATKD-KRWDZBQOSA-N 1 3 396.535 3.611 20 0 GHADHO OC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC(F)(F)CC1 ZINC000658321605 835573901 /nfs/dbraw/zinc/57/39/01/835573901.db2.gz RAGTWEUHJZCCBH-XUVXKRRUSA-N 1 3 378.507 3.817 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657836825 835808528 /nfs/dbraw/zinc/80/85/28/835808528.db2.gz PCAPWDPMWCUQLL-KBPBESRZSA-N 1 3 388.781 3.779 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180157088 836099443 /nfs/dbraw/zinc/09/94/43/836099443.db2.gz YRASGOSXZZIXIR-XALAGWIPSA-N 1 3 395.591 3.953 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180157088 836099450 /nfs/dbraw/zinc/09/94/50/836099450.db2.gz YRASGOSXZZIXIR-XALAGWIPSA-N 1 3 395.591 3.953 20 0 GHADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)CC1 ZINC000109660820 836461274 /nfs/dbraw/zinc/46/12/74/836461274.db2.gz GCIOEWYPCYYALT-PKTZIBPZSA-N 1 3 383.580 3.622 20 0 GHADHO OC1(C[NH2+][C@@H]2CSCCc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000414306415 837006290 /nfs/dbraw/zinc/00/62/90/837006290.db2.gz OETVKLHRPGGJAZ-JOCHJYFZSA-N 1 3 382.573 3.634 20 0 GHADHO CC[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(F)c1 ZINC000414339690 837216095 /nfs/dbraw/zinc/21/60/95/837216095.db2.gz LVBQOKPFROMDBQ-QFIPXVFZSA-N 1 3 383.511 3.764 20 0 GHADHO CC1CCN([C@H](CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)c2cccs2)CC1 ZINC000659262667 838026083 /nfs/dbraw/zinc/02/60/83/838026083.db2.gz KSYRNEOQUYKYDR-VQTJNVASSA-N 1 3 383.561 3.872 20 0 GHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659285341 838210678 /nfs/dbraw/zinc/21/06/78/838210678.db2.gz MKMVVGNTFRHPJH-REWPJTCUSA-N 1 3 377.532 3.592 20 0 GHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659285341 838210687 /nfs/dbraw/zinc/21/06/87/838210687.db2.gz MKMVVGNTFRHPJH-REWPJTCUSA-N 1 3 377.532 3.592 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000415910391 838255141 /nfs/dbraw/zinc/25/51/41/838255141.db2.gz VTXLCETZGUJVAU-UHFFFAOYSA-N 1 3 380.536 3.755 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)N2CCCC2)cc1 ZINC000659444687 838396529 /nfs/dbraw/zinc/39/65/29/838396529.db2.gz GVDDYXDAFMCJDF-XZOQPEGZSA-N 1 3 398.595 3.553 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000656010039 838451412 /nfs/dbraw/zinc/45/14/12/838451412.db2.gz LQUGOUHPUIPBIB-OAQYLSRUSA-N 1 3 386.584 3.559 20 0 GHADHO [NH3+]CCC[C@H](NCc1cc(Br)cc2c1OCC2)c1ccccc1 ZINC000415045258 839123189 /nfs/dbraw/zinc/12/31/89/839123189.db2.gz BHFSPGWSJLJWAN-SFHVURJKSA-N 1 3 375.310 3.954 20 0 GHADHO Cc1cc(Br)cn2c(CN[C@@H](CCC[NH3+])c3ccccc3)cnc12 ZINC000415061915 839147688 /nfs/dbraw/zinc/14/76/88/839147688.db2.gz ZDFWZKYTYGRPKW-SFHVURJKSA-N 1 3 387.325 3.975 20 0 GHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccccc3OCc3ccccc3)CC2)C1 ZINC000415117920 839229952 /nfs/dbraw/zinc/22/99/52/839229952.db2.gz CPHHPCFICKXHJD-VWNXMTODSA-N 1 3 380.532 3.984 20 0 GHADHO COc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OCCC(C)C ZINC000415134338 839250295 /nfs/dbraw/zinc/25/02/95/839250295.db2.gz WAJHDPOEKPWJBS-NFBKMPQASA-N 1 3 390.568 3.838 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)N(CCOCC[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)C1 ZINC000580425057 839546042 /nfs/dbraw/zinc/54/60/42/839546042.db2.gz DSQPYJVOVGOHQZ-WNXIRNOKSA-N 1 3 394.563 3.959 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)N(CCOCC[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)C1 ZINC000580425057 839546048 /nfs/dbraw/zinc/54/60/48/839546048.db2.gz DSQPYJVOVGOHQZ-WNXIRNOKSA-N 1 3 394.563 3.959 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCOCCN2C[C@@H](C)C[C@@H]2c2cccnc2)C1 ZINC000580425057 839546051 /nfs/dbraw/zinc/54/60/51/839546051.db2.gz DSQPYJVOVGOHQZ-WNXIRNOKSA-N 1 3 394.563 3.959 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCOCCN2C[C@@H](C)C[C@@H]2c2cccnc2)C1 ZINC000580425057 839546057 /nfs/dbraw/zinc/54/60/57/839546057.db2.gz DSQPYJVOVGOHQZ-WNXIRNOKSA-N 1 3 394.563 3.959 20 0 GHADHO Cc1nn(-c2cccc(Br)c2)cc1CN1CCC(C[NH+](C)C)CC1 ZINC000656250736 839796160 /nfs/dbraw/zinc/79/61/60/839796160.db2.gz ZYVZQXNTPKQWNC-UHFFFAOYSA-N 1 3 391.357 3.717 20 0 GHADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000471594798 839814141 /nfs/dbraw/zinc/81/41/41/839814141.db2.gz QTQFHBDOSSLSHM-SFHVURJKSA-N 1 3 397.563 3.838 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3cccc4cccnc43)CC2)cc1 ZINC000513103984 844498366 /nfs/dbraw/zinc/49/83/66/844498366.db2.gz AYXYVKIJONWLEO-UHFFFAOYSA-N 1 3 388.559 3.922 20 0 GHADHO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c(CN(C)C)c1 ZINC000164169197 840279270 /nfs/dbraw/zinc/27/92/70/840279270.db2.gz BTCWLLOCBHAINX-UHFFFAOYSA-N 1 3 395.547 3.513 20 0 GHADHO CC1(C)OCc2cc(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)ccc2O1 ZINC000186377094 840397235 /nfs/dbraw/zinc/39/72/35/840397235.db2.gz FBFAVZQQGYSUSS-OAQYLSRUSA-N 1 3 380.532 3.986 20 0 GHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001167442906 840604872 /nfs/dbraw/zinc/60/48/72/840604872.db2.gz JLDKBRZNJSQTAL-FCHUYYIVSA-N 1 3 379.633 3.852 20 0 GHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001167442906 840604876 /nfs/dbraw/zinc/60/48/76/840604876.db2.gz JLDKBRZNJSQTAL-FCHUYYIVSA-N 1 3 379.633 3.852 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417222530 840616614 /nfs/dbraw/zinc/61/66/14/840616614.db2.gz QEKZZUMEIPBJRB-BVYCBKJFSA-N 1 3 380.536 3.601 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)CC2)CC1 ZINC000581139988 840777269 /nfs/dbraw/zinc/77/72/69/840777269.db2.gz IXVMONNKIUKDQX-HSZRJFAPSA-N 1 3 383.580 3.759 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CCn3ccc4cc(Cl)ccc43)CC2)CC1 ZINC000581160574 840798295 /nfs/dbraw/zinc/79/82/95/840798295.db2.gz MAIQDNVRXFHIPY-UHFFFAOYSA-N 1 3 388.987 3.644 20 0 GHADHO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000543871004 840885187 /nfs/dbraw/zinc/88/51/87/840885187.db2.gz SQWGNLXTGLMZIL-FQEVSTJZSA-N 1 3 385.596 3.794 20 0 GHADHO Cc1ccc(COc2ccc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2)cc1 ZINC000584838981 841036877 /nfs/dbraw/zinc/03/68/77/841036877.db2.gz BOJITLGJUKKDKI-JOCHJYFZSA-N 1 3 380.532 3.761 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@@H](C)C1 ZINC000651710245 841409906 /nfs/dbraw/zinc/40/99/06/841409906.db2.gz VOFHRDDUSPTZKB-WMZHIEFXSA-N 1 3 384.568 3.716 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(OC)(C(F)(F)F)CC2)CC1 ZINC000418094615 841500047 /nfs/dbraw/zinc/50/00/47/841500047.db2.gz FAJYYMGPWNUGAV-UHFFFAOYSA-N 1 3 399.501 3.762 20 0 GHADHO C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000303432776 841995284 /nfs/dbraw/zinc/99/52/84/841995284.db2.gz CQKHBYQTXSTQJL-NRFANRHFSA-N 1 3 397.607 3.664 20 0 GHADHO C[NH2+]CCCC(=O)N1CCC(NCc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000663503487 842041801 /nfs/dbraw/zinc/04/18/01/842041801.db2.gz JNAGDCZZPJWGBL-UHFFFAOYSA-N 1 3 392.758 3.727 20 0 GHADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(C)(C)CN(C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044696 842300127 /nfs/dbraw/zinc/30/01/27/842300127.db2.gz HANNKSMHTATDKQ-MQSCRBSSSA-N 1 3 387.612 3.718 20 0 GHADHO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CC(C)(C)CN(C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044696 842300140 /nfs/dbraw/zinc/30/01/40/842300140.db2.gz HANNKSMHTATDKQ-MQSCRBSSSA-N 1 3 387.612 3.718 20 0 GHADHO CN1CCCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000623655287 861298515 /nfs/dbraw/zinc/29/85/15/861298515.db2.gz UFJVDGAVTGQJKU-LJQANCHMSA-N 1 3 375.520 3.756 20 0 GHADHO CCOc1c(Br)cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1OC ZINC000131795331 842894506 /nfs/dbraw/zinc/89/45/06/842894506.db2.gz WPGHHOVQOKHDQT-MQVJKMGUSA-N 1 3 397.357 3.961 20 0 GHADHO COc1ccc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Br)c1OC ZINC000662312896 843121872 /nfs/dbraw/zinc/12/18/72/843121872.db2.gz HJJAKLODTWUBTC-UKRRQHHQSA-N 1 3 385.346 3.806 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662382089 843179924 /nfs/dbraw/zinc/17/99/24/843179924.db2.gz MAEQIHAIEYOKMP-JOCHJYFZSA-N 1 3 391.559 3.722 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662387220 843183356 /nfs/dbraw/zinc/18/33/56/843183356.db2.gz DEXPGIQDLZJDIL-MRXNPFEDSA-N 1 3 383.561 3.698 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662387220 843183364 /nfs/dbraw/zinc/18/33/64/843183364.db2.gz DEXPGIQDLZJDIL-MRXNPFEDSA-N 1 3 383.561 3.698 20 0 GHADHO CC(C)c1cccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000663329227 843198375 /nfs/dbraw/zinc/19/83/75/843198375.db2.gz SWEMMNFTBVKNJT-UHFFFAOYSA-N 1 3 379.548 3.797 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000673681846 861400092 /nfs/dbraw/zinc/40/00/92/861400092.db2.gz OMKQMKQCACUBGP-HSZRJFAPSA-N 1 3 386.499 3.594 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000673681846 861400100 /nfs/dbraw/zinc/40/01/00/861400100.db2.gz OMKQMKQCACUBGP-HSZRJFAPSA-N 1 3 386.499 3.594 20 0 GHADHO c1ccc(CN2CC[C@@]3(CC[N@@H+](CCc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000512284745 843319457 /nfs/dbraw/zinc/31/94/57/843319457.db2.gz CTKBIZLIXOCECR-XMMPIXPASA-N 1 3 388.515 3.877 20 0 GHADHO c1ccc(CN2CC[C@@]3(CC[N@H+](CCc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000512284745 843319465 /nfs/dbraw/zinc/31/94/65/843319465.db2.gz CTKBIZLIXOCECR-XMMPIXPASA-N 1 3 388.515 3.877 20 0 GHADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000662484486 843323179 /nfs/dbraw/zinc/32/31/79/843323179.db2.gz LFNQLUDMYDCAMY-VGOFRKELSA-N 1 3 379.504 3.580 20 0 GHADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000662484486 843323191 /nfs/dbraw/zinc/32/31/91/843323191.db2.gz LFNQLUDMYDCAMY-VGOFRKELSA-N 1 3 379.504 3.580 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H](C)O1 ZINC000067121184 844784799 /nfs/dbraw/zinc/78/47/99/844784799.db2.gz YWOYCONJSFBKGO-ZIAGYGMSSA-N 1 3 376.875 3.920 20 0 GHADHO C[C@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512704108 845100555 /nfs/dbraw/zinc/10/05/55/845100555.db2.gz WVZWDJRZMXITKN-PZJWPPBQSA-N 1 3 392.632 3.793 20 0 GHADHO C[C@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512704108 845100561 /nfs/dbraw/zinc/10/05/61/845100561.db2.gz WVZWDJRZMXITKN-PZJWPPBQSA-N 1 3 392.632 3.793 20 0 GHADHO CN(C[C@@H]1CCCN1c1cccnn1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000513623954 846164046 /nfs/dbraw/zinc/16/40/46/846164046.db2.gz HOKOQDOHAHERKZ-NRFANRHFSA-N 1 3 381.568 3.535 20 0 GHADHO CN(C[C@@H]1CCCN1c1cccnn1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513623954 846164050 /nfs/dbraw/zinc/16/40/50/846164050.db2.gz HOKOQDOHAHERKZ-NRFANRHFSA-N 1 3 381.568 3.535 20 0 GHADHO CC[C@H](C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)N(C)C ZINC000513696118 846427591 /nfs/dbraw/zinc/42/75/91/846427591.db2.gz SJASVVZOLRPYBQ-HSZRJFAPSA-N 1 3 379.548 3.906 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000502821975 846515502 /nfs/dbraw/zinc/51/55/02/846515502.db2.gz AOYIJGVEWPJNMK-IFMALSPDSA-N 1 3 386.584 3.635 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000502821975 846515511 /nfs/dbraw/zinc/51/55/11/846515511.db2.gz AOYIJGVEWPJNMK-IFMALSPDSA-N 1 3 386.584 3.635 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000501030729 846548546 /nfs/dbraw/zinc/54/85/46/846548546.db2.gz GZVICRAEADFLBZ-UHFFFAOYSA-N 1 3 379.539 3.635 20 0 GHADHO COc1ccc([C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C(C)C)c(F)c1 ZINC000421842308 846632682 /nfs/dbraw/zinc/63/26/82/846632682.db2.gz NNTFZJGFFHFAKI-WMZHIEFXSA-N 1 3 386.511 3.888 20 0 GHADHO COc1ccc([C@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C(C)C)c(F)c1 ZINC000421842308 846632687 /nfs/dbraw/zinc/63/26/87/846632687.db2.gz NNTFZJGFFHFAKI-WMZHIEFXSA-N 1 3 386.511 3.888 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)C2CC2)CC1 ZINC000179689085 861708757 /nfs/dbraw/zinc/70/87/57/861708757.db2.gz FJDRSRWCRAPNRD-VWLOTQADSA-N 1 3 391.559 3.817 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCCCc4ccccc43)CC2)CC1 ZINC000582249845 846712584 /nfs/dbraw/zinc/71/25/84/846712584.db2.gz BACDMMIWODBKRA-UHFFFAOYSA-N 1 3 383.580 3.942 20 0 GHADHO C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000501384164 846893965 /nfs/dbraw/zinc/89/39/65/846893965.db2.gz BXFLPMZDGMXMET-OALUTQOASA-N 1 3 392.613 3.695 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2c(C(F)(F)F)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000657416877 847113536 /nfs/dbraw/zinc/11/35/36/847113536.db2.gz YPOOINYJBYDZBK-WBVHZDCISA-N 1 3 380.458 3.829 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2c(C(F)(F)F)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657416877 847113546 /nfs/dbraw/zinc/11/35/46/847113546.db2.gz YPOOINYJBYDZBK-WBVHZDCISA-N 1 3 380.458 3.829 20 0 GHADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000582561016 847606602 /nfs/dbraw/zinc/60/66/02/847606602.db2.gz HRMPPRWUIADGCK-HXUWFJFHSA-N 1 3 385.939 3.684 20 0 GHADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000582561015 847606739 /nfs/dbraw/zinc/60/67/39/847606739.db2.gz HRMPPRWUIADGCK-FQEVSTJZSA-N 1 3 385.939 3.684 20 0 GHADHO COC[C@H](CCC[NH3+])N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000422893129 847887390 /nfs/dbraw/zinc/88/73/90/847887390.db2.gz OXWPCIRVPCKIHW-DOMZBBRYSA-N 1 3 398.370 3.977 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000422943958 847907584 /nfs/dbraw/zinc/90/75/84/847907584.db2.gz LSLHTQTZOYGRRS-GRADPPADSA-N 1 3 393.575 3.879 20 0 GHADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056585 847955594 /nfs/dbraw/zinc/95/55/94/847955594.db2.gz YOSVUGPJFJMHDD-CWFSZBLJSA-N 1 3 379.470 3.856 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056585 847955600 /nfs/dbraw/zinc/95/56/00/847955600.db2.gz YOSVUGPJFJMHDD-CWFSZBLJSA-N 1 3 379.470 3.856 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)n1 ZINC000423071732 847963246 /nfs/dbraw/zinc/96/32/46/847963246.db2.gz ICELNYXTEWPCKS-IPMKNSEASA-N 1 3 399.560 3.997 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000423071729 847963767 /nfs/dbraw/zinc/96/37/67/847963767.db2.gz ICELNYXTEWPCKS-CEXWTWQISA-N 1 3 399.560 3.997 20 0 GHADHO c1sc(-c2ccccn2)nc1CNCC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612365 848323461 /nfs/dbraw/zinc/32/34/61/848323461.db2.gz MWTMYVBEKNNMFW-UHFFFAOYSA-N 1 3 379.533 3.602 20 0 GHADHO Fc1ccc(-c2n[nH]cc2C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657612271 848324546 /nfs/dbraw/zinc/32/45/46/848324546.db2.gz LGXRRPBKUNWJMA-UHFFFAOYSA-N 1 3 379.483 3.613 20 0 GHADHO c1nc(-c2ccncc2)sc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613951 848341671 /nfs/dbraw/zinc/34/16/71/848341671.db2.gz YJXWDTZUDBMUKG-UHFFFAOYSA-N 1 3 379.533 3.602 20 0 GHADHO C[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000604184043 861905806 /nfs/dbraw/zinc/90/58/06/861905806.db2.gz FGJAWBHDFSKCAR-IRLDBZIGSA-N 1 3 386.584 3.633 20 0 GHADHO CC1CCN([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)c2cccs2)CC1 ZINC000582893747 848648714 /nfs/dbraw/zinc/64/87/14/848648714.db2.gz ULMNPZJCELQIAO-LJQANCHMSA-N 1 3 384.549 3.946 20 0 GHADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604179995 861937437 /nfs/dbraw/zinc/93/74/37/861937437.db2.gz YPAKVPGHNWVBAH-URVUXULASA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604179995 861937449 /nfs/dbraw/zinc/93/74/49/861937449.db2.gz YPAKVPGHNWVBAH-URVUXULASA-N 1 3 386.584 3.633 20 0 GHADHO CN1CCCC[C@@H]1c1ccc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)nc1 ZINC001167642149 848764598 /nfs/dbraw/zinc/76/45/98/848764598.db2.gz DBUZZYVDCKOBTR-WUZYXKQASA-N 1 3 388.556 3.632 20 0 GHADHO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423111891 849758961 /nfs/dbraw/zinc/75/89/61/849758961.db2.gz RFGUKCMIGIDVJH-TUVJXNFZSA-N 1 3 392.385 3.907 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423295350 849857486 /nfs/dbraw/zinc/85/74/86/849857486.db2.gz WSACMPDUIHFBNN-MTNREXPMSA-N 1 3 386.561 3.889 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)Cc2ccc(OC)c(OC)c2C)cc1 ZINC000423332457 849869277 /nfs/dbraw/zinc/86/92/77/849869277.db2.gz NKSAPDOCEXJIIW-SSKFGXFMSA-N 1 3 398.547 3.687 20 0 GHADHO Cc1c([C@H](C)NC[C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423455870 849933214 /nfs/dbraw/zinc/93/32/14/849933214.db2.gz FSTDELFLLGERGV-JGGQBBKZSA-N 1 3 392.345 3.506 20 0 GHADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)C1 ZINC000414746936 849940304 /nfs/dbraw/zinc/94/03/04/849940304.db2.gz MIALAVIVGUNCTD-MRXNPFEDSA-N 1 3 397.485 3.647 20 0 GHADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)C1 ZINC000414746936 849940307 /nfs/dbraw/zinc/94/03/07/849940307.db2.gz MIALAVIVGUNCTD-MRXNPFEDSA-N 1 3 397.485 3.647 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423532834 849959388 /nfs/dbraw/zinc/95/93/88/849959388.db2.gz VYWBMFKVIQCACW-XMYZRKPFSA-N 1 3 375.944 3.800 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000514564309 850010792 /nfs/dbraw/zinc/01/07/92/850010792.db2.gz FCROFHGGYGRCPF-IBGZPJMESA-N 1 3 392.613 3.648 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000414804439 850604384 /nfs/dbraw/zinc/60/43/84/850604384.db2.gz DYQYQJXWLDOADS-GFCCVEGCSA-N 1 3 377.282 3.530 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccco1 ZINC000487773776 850901400 /nfs/dbraw/zinc/90/14/00/850901400.db2.gz YWDYUVIUCNPIOM-PXNSSMCTSA-N 1 3 390.572 3.663 20 0 GHADHO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000514084835 851220669 /nfs/dbraw/zinc/22/06/69/851220669.db2.gz RXARZPWIDLEOBH-LJQANCHMSA-N 1 3 375.520 3.625 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OCC ZINC000515650377 851309568 /nfs/dbraw/zinc/30/95/68/851309568.db2.gz USBDGIOSZHRDJF-KNQAVFIVSA-N 1 3 376.541 3.592 20 0 GHADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000488322090 851408447 /nfs/dbraw/zinc/40/84/47/851408447.db2.gz IYRXMCGDDBSSGJ-QFIPXVFZSA-N 1 3 388.596 3.840 20 0 GHADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1)N1CCCCC1 ZINC000436313350 851448151 /nfs/dbraw/zinc/44/81/51/851448151.db2.gz LQPUGKUJWIZODC-GNADVCDUSA-N 1 3 395.591 3.668 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccco1 ZINC000488460934 851517569 /nfs/dbraw/zinc/51/75/69/851517569.db2.gz NXOPAXZFCYTVPL-SXLOBPIMSA-N 1 3 386.540 3.619 20 0 GHADHO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000509982173 851535258 /nfs/dbraw/zinc/53/52/58/851535258.db2.gz KGDZMAODXDSXEG-UHFFFAOYSA-N 1 3 393.575 3.919 20 0 GHADHO COc1cccc(-c2csc(CNCC3(SC)CC[NH+](C)CC3)n2)c1 ZINC000894544698 851673676 /nfs/dbraw/zinc/67/36/76/851673676.db2.gz JVJGWHMSVDKUDW-UHFFFAOYSA-N 1 3 377.579 3.736 20 0 GHADHO Brc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cc2c1OCCCO2 ZINC000517549925 852108072 /nfs/dbraw/zinc/10/80/72/852108072.db2.gz CZBCPPLSUXBOHY-UHFFFAOYSA-N 1 3 395.341 3.717 20 0 GHADHO Clc1nc(N2CCOCC2)sc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC000894320116 852216802 /nfs/dbraw/zinc/21/68/02/852216802.db2.gz JBEVNKGNEROIRJ-UHFFFAOYSA-N 1 3 399.004 3.520 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCC[N@H+](C)C2CCCC2)c2cccs2)CC1 ZINC000517865910 852550532 /nfs/dbraw/zinc/55/05/32/852550532.db2.gz VYQIYVCZOUWAKM-IBGZPJMESA-N 1 3 392.613 3.695 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)c2cccs2)CC1 ZINC000517865910 852550539 /nfs/dbraw/zinc/55/05/39/852550539.db2.gz VYQIYVCZOUWAKM-IBGZPJMESA-N 1 3 392.613 3.695 20 0 GHADHO CC[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000490131681 852784705 /nfs/dbraw/zinc/78/47/05/852784705.db2.gz XOLNDZRTXWRXOU-JOCHJYFZSA-N 1 3 384.543 3.859 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167986489 853108888 /nfs/dbraw/zinc/10/88/88/853108888.db2.gz FXXNBESFRZCVMA-AUGMSIGLSA-N 1 3 389.584 3.866 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167986489 853108893 /nfs/dbraw/zinc/10/88/93/853108893.db2.gz FXXNBESFRZCVMA-AUGMSIGLSA-N 1 3 389.584 3.866 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167987013 853195680 /nfs/dbraw/zinc/19/56/80/853195680.db2.gz JEWMSKIMMZAJLI-FYKRDEHLSA-N 1 3 389.584 3.723 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167987013 853195682 /nfs/dbraw/zinc/19/56/82/853195682.db2.gz JEWMSKIMMZAJLI-FYKRDEHLSA-N 1 3 389.584 3.723 20 0 GHADHO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490963906 853374412 /nfs/dbraw/zinc/37/44/12/853374412.db2.gz IMQURMMCRLIKJU-OFVILXPXSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490963906 853374421 /nfs/dbraw/zinc/37/44/21/853374421.db2.gz IMQURMMCRLIKJU-OFVILXPXSA-N 1 3 393.575 3.723 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000491002036 853398607 /nfs/dbraw/zinc/39/86/07/853398607.db2.gz AHOMWJVVAREHCL-NTKDMRAZSA-N 1 3 399.554 3.787 20 0 GHADHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766046129 862467158 /nfs/dbraw/zinc/46/71/58/862467158.db2.gz WVDMFQYYVJOTDA-XJKSGUPXSA-N 1 3 376.513 3.700 20 0 GHADHO c1ccc(OC[C@@]23CCC[C@@H]2C[N@@H+](C2C[C@H]4CC[C@@H](C2)N4CC2CC2)C3)nc1 ZINC001167988436 853540503 /nfs/dbraw/zinc/54/05/03/853540503.db2.gz KPRZGTWQMIHWLM-UVINLSLCSA-N 1 3 381.564 3.968 20 0 GHADHO c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+](C2C[C@H]4CC[C@@H](C2)N4CC2CC2)C3)nc1 ZINC001167988436 853540507 /nfs/dbraw/zinc/54/05/07/853540507.db2.gz KPRZGTWQMIHWLM-UVINLSLCSA-N 1 3 381.564 3.968 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000518629064 853564606 /nfs/dbraw/zinc/56/46/06/853564606.db2.gz ZQFCEJVEYNEJLM-WOJBJXKFSA-N 1 3 392.613 3.791 20 0 GHADHO C[NH+](C)CC[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(C)(C)C ZINC000604807200 862518944 /nfs/dbraw/zinc/51/89/44/862518944.db2.gz BEDQZUJPABYZED-AEFFLSMTSA-N 1 3 380.602 3.551 20 0 GHADHO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000572047557 854344472 /nfs/dbraw/zinc/34/44/72/854344472.db2.gz MOYIHLOULHWWKU-OYDLWJJNSA-N 1 3 391.559 3.596 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000124098676 854477361 /nfs/dbraw/zinc/47/73/61/854477361.db2.gz JZNNQPYBAFPTKD-UHFFFAOYSA-N 1 3 380.536 3.579 20 0 GHADHO CC(C)N1CCN(Cc2ccc(N[C@H]3CCCC[C@@H]3[NH+](C)C)c(F)c2)CC1 ZINC001168602532 854648036 /nfs/dbraw/zinc/64/80/36/854648036.db2.gz RNSYGBWIRFKBKD-VXKWHMMOSA-N 1 3 376.564 3.636 20 0 GHADHO CCCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(OCCC)c1 ZINC000572522566 854860260 /nfs/dbraw/zinc/86/02/60/854860260.db2.gz FJFRVPLIJPXKAO-IRLDBZIGSA-N 1 3 376.541 3.592 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccccc3SC)CC2)CC1 ZINC000572779064 854985512 /nfs/dbraw/zinc/98/55/12/854985512.db2.gz AAORGXXPBLIMRB-UHFFFAOYSA-N 1 3 389.609 3.563 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000482016039 862631042 /nfs/dbraw/zinc/63/10/42/862631042.db2.gz MRFUOGZOYOFXRZ-QFBILLFUSA-N 1 3 395.975 3.704 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000482016039 862631050 /nfs/dbraw/zinc/63/10/50/862631050.db2.gz MRFUOGZOYOFXRZ-QFBILLFUSA-N 1 3 395.975 3.704 20 0 GHADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(N2CCCC2)n1 ZINC000572846900 855041350 /nfs/dbraw/zinc/04/13/50/855041350.db2.gz LKKNTXGDYZSHJR-NZQKXSOJSA-N 1 3 378.564 3.990 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000590147015 855297994 /nfs/dbraw/zinc/29/79/94/855297994.db2.gz CUKPFCFJSSBFSZ-IFMALSPDSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000590147015 855297999 /nfs/dbraw/zinc/29/79/99/855297999.db2.gz CUKPFCFJSSBFSZ-IFMALSPDSA-N 1 3 386.584 3.777 20 0 GHADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000590151378 855299364 /nfs/dbraw/zinc/29/93/64/855299364.db2.gz ZXOCRDJMORFUFX-IBGZPJMESA-N 1 3 392.613 3.647 20 0 GHADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000590151378 855299365 /nfs/dbraw/zinc/29/93/65/855299365.db2.gz ZXOCRDJMORFUFX-IBGZPJMESA-N 1 3 392.613 3.647 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000180975013 862696934 /nfs/dbraw/zinc/69/69/34/862696934.db2.gz NOKGEUKZXIBGGT-LJQANCHMSA-N 1 3 391.559 3.852 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000482108170 862710146 /nfs/dbraw/zinc/71/01/46/862710146.db2.gz YNWZYUPKCBDRFK-HNAYVOBHSA-N 1 3 388.474 3.941 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)N2CCCC2)cc1 ZINC000465820657 856127527 /nfs/dbraw/zinc/12/75/27/856127527.db2.gz WVYWVYSOALTFET-VJBWXMMDSA-N 1 3 398.595 3.789 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)N2CCCC2)cc1 ZINC000465820657 856127533 /nfs/dbraw/zinc/12/75/33/856127533.db2.gz WVYWVYSOALTFET-VJBWXMMDSA-N 1 3 398.595 3.789 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905121678 856168553 /nfs/dbraw/zinc/16/85/53/856168553.db2.gz FDIVFHLPCVBEES-AVRDEDQJSA-N 1 3 393.531 3.723 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000485219424 856230911 /nfs/dbraw/zinc/23/09/11/856230911.db2.gz ONQRHWVYXHBJAH-XQUALCHDSA-N 1 3 390.575 3.941 20 0 GHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(C(=O)OC(C)(C)C)CCOCC3)CC2)C1 ZINC000592395734 856803939 /nfs/dbraw/zinc/80/39/39/856803939.db2.gz YUOOWXYDPXVDMZ-AZUAARDMSA-N 1 3 394.600 3.758 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000427888020 856846619 /nfs/dbraw/zinc/84/66/19/856846619.db2.gz CIKVEPLQKAECMQ-YFNKSVMNSA-N 1 3 387.612 3.768 20 0 GHADHO CCOc1ccc([C@@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OCC ZINC000675881492 857659158 /nfs/dbraw/zinc/65/91/58/857659158.db2.gz MEQSXSZIDMYZDO-XLIONFOSSA-N 1 3 376.541 3.778 20 0 GHADHO COc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000486363595 857676915 /nfs/dbraw/zinc/67/69/15/857676915.db2.gz ZVZUSZRSUXAQQF-XLIONFOSSA-N 1 3 384.520 3.713 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)N(C)C)cc1 ZINC000065469839 857801813 /nfs/dbraw/zinc/80/18/13/857801813.db2.gz YFOKJSZOYPWXDI-QHCPKHFHSA-N 1 3 394.563 3.693 20 0 GHADHO Cc1cc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568530 857871272 /nfs/dbraw/zinc/87/12/72/857871272.db2.gz SLFJGAXURMTENX-SIKLNZKXSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1cc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568530 857871281 /nfs/dbraw/zinc/87/12/81/857871281.db2.gz SLFJGAXURMTENX-SIKLNZKXSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568530 857871287 /nfs/dbraw/zinc/87/12/87/857871287.db2.gz SLFJGAXURMTENX-SIKLNZKXSA-N 1 3 375.520 3.576 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000672967080 857953564 /nfs/dbraw/zinc/95/35/64/857953564.db2.gz SAOCRYGBBJPCKR-HSZRJFAPSA-N 1 3 394.563 3.602 20 0 GHADHO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168371407 857977752 /nfs/dbraw/zinc/97/77/52/857977752.db2.gz KXLCDHVMTOLDNB-UHFFFAOYSA-N 1 3 382.470 3.863 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000067452862 858032624 /nfs/dbraw/zinc/03/26/24/858032624.db2.gz HPBRBPLHBRHEOZ-HOTGVXAUSA-N 1 3 376.932 3.709 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000574750235 858157539 /nfs/dbraw/zinc/15/75/39/858157539.db2.gz LJCFIOJONDILOE-NFBKMPQASA-N 1 3 382.548 3.858 20 0 GHADHO CN1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1(C)C ZINC000442891774 858212717 /nfs/dbraw/zinc/21/27/17/858212717.db2.gz SJTHBQCPRNYEBI-GOSISDBHSA-N 1 3 380.374 3.516 20 0 GHADHO C[NH+](C)C1CCC(NCc2cc(Cl)ccc2I)CC1 ZINC000594951539 858343376 /nfs/dbraw/zinc/34/33/76/858343376.db2.gz UZJFPOVKWWFHNO-UHFFFAOYSA-N 1 3 392.712 3.907 20 0 GHADHO CC(C)(C)OC(=O)C1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000594968055 858349113 /nfs/dbraw/zinc/34/91/13/858349113.db2.gz DHHQLQRSKOKXKH-UHFFFAOYSA-N 1 3 387.568 3.784 20 0 GHADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000443077998 858352682 /nfs/dbraw/zinc/35/26/82/858352682.db2.gz VTIJXLREAOFMEH-VGOFRKELSA-N 1 3 385.939 3.606 20 0 GHADHO C[C@H](CSCCF)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000595038218 858376668 /nfs/dbraw/zinc/37/66/68/858376668.db2.gz LDPQOJSUMWRWHR-UYAOXDASSA-N 1 3 380.573 3.596 20 0 GHADHO C[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000443098768 858377238 /nfs/dbraw/zinc/37/72/38/858377238.db2.gz YPOCIQAKRMEXOP-XMSQKQJNSA-N 1 3 387.568 3.601 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H](C)O1 ZINC000067452573 858574546 /nfs/dbraw/zinc/57/45/46/858574546.db2.gz LTRUXZYRWCEDRU-HDICACEKSA-N 1 3 396.535 3.812 20 0 GHADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522175167 858716528 /nfs/dbraw/zinc/71/65/28/858716528.db2.gz NXLBUJYSWHTNJR-JOCHJYFZSA-N 1 3 398.595 3.599 20 0 GHADHO CC[N@H+](C)Cc1cccc(CN[C@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000183555907 858771705 /nfs/dbraw/zinc/77/17/05/858771705.db2.gz FOAXWPUYJUSDOE-XMMPIXPASA-N 1 3 381.564 3.610 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000183555907 858771714 /nfs/dbraw/zinc/77/17/14/858771714.db2.gz FOAXWPUYJUSDOE-XMMPIXPASA-N 1 3 381.564 3.610 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)cc1 ZINC000474082465 858839265 /nfs/dbraw/zinc/83/92/65/858839265.db2.gz OTEGPBWJDSDYHM-DSNGMDLFSA-N 1 3 399.623 3.769 20 0 GHADHO CC(C)CN(C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000522266444 858923885 /nfs/dbraw/zinc/92/38/85/858923885.db2.gz ZJKFNEYUYCHCEE-NRFANRHFSA-N 1 3 399.623 3.908 20 0 GHADHO c1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(-c2ccncc2)n1 ZINC000668189752 859058301 /nfs/dbraw/zinc/05/83/01/859058301.db2.gz NZDHYFQPDKADMD-UHFFFAOYSA-N 1 3 387.531 3.755 20 0 GHADHO Cc1cccc(CNCC2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000922234385 859112550 /nfs/dbraw/zinc/11/25/50/859112550.db2.gz KAHSSNRSIGHFJQ-UHFFFAOYSA-N 1 3 381.358 3.738 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000665363803 859135035 /nfs/dbraw/zinc/13/50/35/859135035.db2.gz CDPGGQACASAWPL-HMXCVIKNSA-N 1 3 386.584 3.554 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000665363803 859135039 /nfs/dbraw/zinc/13/50/39/859135039.db2.gz CDPGGQACASAWPL-HMXCVIKNSA-N 1 3 386.584 3.554 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000641882831 859278379 /nfs/dbraw/zinc/27/83/79/859278379.db2.gz WQICJBMUPUVAOJ-HSZRJFAPSA-N 1 3 394.563 3.693 20 0 GHADHO COCCN(C)c1ccc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000483300999 859280548 /nfs/dbraw/zinc/28/05/48/859280548.db2.gz ZDJFCTDTWNDXLD-FQEVSTJZSA-N 1 3 388.600 3.641 20 0 GHADHO COCCN(C)c1ccc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000483300999 859280558 /nfs/dbraw/zinc/28/05/58/859280558.db2.gz ZDJFCTDTWNDXLD-FQEVSTJZSA-N 1 3 388.600 3.641 20 0 GHADHO CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470751637 859337279 /nfs/dbraw/zinc/33/72/79/859337279.db2.gz OBLQDSIYDXXXBF-NRFANRHFSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CN(Cc4ccccc4)CCCO3)CC2)C1 ZINC000429443458 859382969 /nfs/dbraw/zinc/38/29/69/859382969.db2.gz CYWWSMNDEKLASP-SDUSCBPUSA-N 1 3 399.623 3.910 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3c[nH]nc3-c3cccc(Cl)c3)cc2)C1 ZINC000657594206 859452617 /nfs/dbraw/zinc/45/26/17/859452617.db2.gz GKRUUYPTXPBQCV-OAQYLSRUSA-N 1 3 396.922 3.587 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3c[nH]nc3-c3cccc(Cl)c3)cc2)C1 ZINC000657594206 859452623 /nfs/dbraw/zinc/45/26/23/859452623.db2.gz GKRUUYPTXPBQCV-OAQYLSRUSA-N 1 3 396.922 3.587 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000543418455 859658875 /nfs/dbraw/zinc/65/88/75/859658875.db2.gz VIKTYSNPRDCOJQ-QZTJIDSGSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000543418455 859658882 /nfs/dbraw/zinc/65/88/82/859658882.db2.gz VIKTYSNPRDCOJQ-QZTJIDSGSA-N 1 3 379.976 3.931 20 0 GHADHO Cc1nc2sc3c(c2c(N[C@H]2CCN(C4CC[NH+](C)CC4)C2)n1)CCCCC3 ZINC000602234416 859865208 /nfs/dbraw/zinc/86/52/08/859865208.db2.gz LJKYALAEYWHZRI-INIZCTEOSA-N 1 3 399.608 3.849 20 0 GHADHO CN(C)c1ccc(N2CCC([NH2+]C3CCN(CC4CCCC4)CC3)CC2)cc1 ZINC000765458956 859978201 /nfs/dbraw/zinc/97/82/01/859978201.db2.gz SEAMJIUUNFEYCX-UHFFFAOYSA-N 1 3 384.612 3.966 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccccc2-c2ccccc2)c1 ZINC000727471194 860107055 /nfs/dbraw/zinc/10/70/55/860107055.db2.gz MELMFRBHGWERRL-UHFFFAOYSA-N 1 3 387.527 3.935 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718661 860286582 /nfs/dbraw/zinc/28/65/82/860286582.db2.gz IIFJFJFKWSBWRV-FMWKFLBASA-N 1 3 398.551 3.844 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718661 860286593 /nfs/dbraw/zinc/28/65/93/860286593.db2.gz IIFJFJFKWSBWRV-FMWKFLBASA-N 1 3 398.551 3.844 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccccc2OCc2ccccn2)C[C@H](C)O1 ZINC000062252946 863153225 /nfs/dbraw/zinc/15/32/25/863153225.db2.gz SDKVSLOXQUGMBO-PMACEKPBSA-N 1 3 383.536 3.640 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000482562842 863315623 /nfs/dbraw/zinc/31/56/23/863315623.db2.gz DPIUUOBHFIILKB-RBBKRZOGSA-N 1 3 399.966 3.801 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000482562842 863315633 /nfs/dbraw/zinc/31/56/33/863315633.db2.gz DPIUUOBHFIILKB-RBBKRZOGSA-N 1 3 399.966 3.801 20 0 GHADHO C[C@H](CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000182656231 863318022 /nfs/dbraw/zinc/31/80/22/863318022.db2.gz CYLYNCMRWTUSIS-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCC4(CCCCC4)CC3)CC2)CC1 ZINC000189182900 881669756 /nfs/dbraw/zinc/66/97/56/881669756.db2.gz SKARHYWNJNYMAO-UHFFFAOYSA-N 1 3 390.616 3.737 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606691031 863782336 /nfs/dbraw/zinc/78/23/36/863782336.db2.gz WDXLXXKQZPDUPW-HSZRJFAPSA-N 1 3 398.595 3.874 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606691031 863782346 /nfs/dbraw/zinc/78/23/46/863782346.db2.gz WDXLXXKQZPDUPW-HSZRJFAPSA-N 1 3 398.595 3.874 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC1 ZINC000158731439 863932982 /nfs/dbraw/zinc/93/29/82/863932982.db2.gz IOKNMFYTXLJEBR-UHFFFAOYSA-N 1 3 394.991 3.678 20 0 GHADHO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Cl)c1Cl ZINC000159134878 864041718 /nfs/dbraw/zinc/04/17/18/864041718.db2.gz DJYNOYCWHVTECD-CQSZACIVSA-N 1 3 379.335 3.991 20 0 GHADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000475108958 864189114 /nfs/dbraw/zinc/18/91/14/864189114.db2.gz PKCZEVIBLPJZOK-QFIPXVFZSA-N 1 3 398.595 3.747 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H](C)C1 ZINC000480277631 864407605 /nfs/dbraw/zinc/40/76/05/864407605.db2.gz KZEPRWQHUOOKKM-AVRDEDQJSA-N 1 3 387.568 3.652 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc21 ZINC000554737844 864810652 /nfs/dbraw/zinc/81/06/52/864810652.db2.gz JRQCPXRTCOFTPL-FDDCHVKYSA-N 1 3 377.532 3.850 20 0 GHADHO COCCCOc1cccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000475344673 864819845 /nfs/dbraw/zinc/81/98/45/864819845.db2.gz YSMIKFVFDKGGLS-ZRZAMGCNSA-N 1 3 380.532 3.666 20 0 GHADHO COCCCOc1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000475344673 864819864 /nfs/dbraw/zinc/81/98/64/864819864.db2.gz YSMIKFVFDKGGLS-ZRZAMGCNSA-N 1 3 380.532 3.666 20 0 GHADHO c1cn2c(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)c(-c3ccccc3)nc2s1 ZINC000736365123 865189507 /nfs/dbraw/zinc/18/95/07/865189507.db2.gz UNXBDNPCUGLJFN-QGZVFWFLSA-N 1 3 396.560 3.653 20 0 GHADHO C/C(=C/c1ccccc1C(F)(F)F)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000501492813 865294102 /nfs/dbraw/zinc/29/41/02/865294102.db2.gz XFFOUHPENMQYAM-PEZBUJJGSA-N 1 3 397.485 3.641 20 0 GHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000480898317 865481706 /nfs/dbraw/zinc/48/17/06/865481706.db2.gz MMKVVJPXORDNNS-KOSHJBKYSA-N 1 3 381.539 3.986 20 0 GHADHO CCOC(=O)[C@H]1CC[C@@H](NCc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000555188824 865660404 /nfs/dbraw/zinc/66/04/04/865660404.db2.gz QFCDFYDJRIRRSY-FCHUYYIVSA-N 1 3 396.531 3.898 20 0 GHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000173427137 865805546 /nfs/dbraw/zinc/80/55/46/865805546.db2.gz GRGXEVRLUNQYPG-MRXNPFEDSA-N 1 3 387.474 3.641 20 0 GHADHO CCCN1CCC([NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 ZINC000133069813 881911956 /nfs/dbraw/zinc/91/19/56/881911956.db2.gz RVKNQLXWJXBSQT-HXUWFJFHSA-N 1 3 399.501 3.543 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166676 865908353 /nfs/dbraw/zinc/90/83/53/865908353.db2.gz BOUGZEJKFGXOHS-ICSRJNTNSA-N 1 3 395.572 3.626 20 0 GHADHO CSc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000481197016 865989517 /nfs/dbraw/zinc/98/95/17/865989517.db2.gz ZPDIKBPWBAVNIF-UTKZUKDTSA-N 1 3 383.561 3.847 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cc(C)sc3C)CC2)CC1 ZINC000552967484 866539540 /nfs/dbraw/zinc/53/95/40/866539540.db2.gz TYXCDDQERWIRFS-MRXNPFEDSA-N 1 3 377.598 3.738 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553143618 866873457 /nfs/dbraw/zinc/87/34/57/866873457.db2.gz QCHHXGPHKKCSJP-QPPBQGQZSA-N 1 3 391.559 3.632 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553143618 866873470 /nfs/dbraw/zinc/87/34/70/866873470.db2.gz QCHHXGPHKKCSJP-QPPBQGQZSA-N 1 3 391.559 3.632 20 0 GHADHO COc1ccc(-c2nc(CNCCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000620756982 867275481 /nfs/dbraw/zinc/27/54/81/867275481.db2.gz PPXYTNCKFUOZHI-CALCHBBNSA-N 1 3 389.565 3.798 20 0 GHADHO COc1ccc(-c2nc(CNCCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000620756982 867275496 /nfs/dbraw/zinc/27/54/96/867275496.db2.gz PPXYTNCKFUOZHI-CALCHBBNSA-N 1 3 389.565 3.798 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000154302002 867344679 /nfs/dbraw/zinc/34/46/79/867344679.db2.gz ZWDVYBZNBXUAHQ-MAUKXSAKSA-N 1 3 380.374 3.615 20 0 GHADHO CC1(C)C[C@@H](NCCC[NH+]2CCC(O)CC2)c2cc(Br)ccc21 ZINC000479358619 867604209 /nfs/dbraw/zinc/60/42/09/867604209.db2.gz JPDVSLLQDKKZOW-GOSISDBHSA-N 1 3 381.358 3.608 20 0 GHADHO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000479451735 867782080 /nfs/dbraw/zinc/78/20/80/867782080.db2.gz XUZBOFGZGQZTCS-PXNSSMCTSA-N 1 3 381.520 3.826 20 0 GHADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000155237506 867821385 /nfs/dbraw/zinc/82/13/85/867821385.db2.gz DHKUPPYICBDHAM-KRWDZBQOSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000479886393 868683490 /nfs/dbraw/zinc/68/34/90/868683490.db2.gz GXFOXAIKSLIBDB-PXDATVDWSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000479886393 868683494 /nfs/dbraw/zinc/68/34/94/868683494.db2.gz GXFOXAIKSLIBDB-PXDATVDWSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000479886393 868683499 /nfs/dbraw/zinc/68/34/99/868683499.db2.gz GXFOXAIKSLIBDB-PXDATVDWSA-N 1 3 393.575 3.519 20 0 GHADHO Cn1cc(CNC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c(-c2cccnc2)n1 ZINC000121818207 882294773 /nfs/dbraw/zinc/29/47/73/882294773.db2.gz RVYLKPRQZWCDTQ-HSZRJFAPSA-N 1 3 375.520 3.626 20 0 GHADHO Cn1cc(CNC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c(-c2cccnc2)n1 ZINC000121818207 882294784 /nfs/dbraw/zinc/29/47/84/882294784.db2.gz RVYLKPRQZWCDTQ-HSZRJFAPSA-N 1 3 375.520 3.626 20 0 GHADHO CC[N@H+](CCC1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1)CC1CC1 ZINC000540046496 870251895 /nfs/dbraw/zinc/25/18/95/870251895.db2.gz FNLILRNVCDDCDK-GOSISDBHSA-N 1 3 389.559 3.664 20 0 GHADHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1)CC1CC1 ZINC000540046496 870251913 /nfs/dbraw/zinc/25/19/13/870251913.db2.gz FNLILRNVCDDCDK-GOSISDBHSA-N 1 3 389.559 3.664 20 0 GHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000248140113 870299040 /nfs/dbraw/zinc/29/90/40/870299040.db2.gz PMYWTWSVEBVNGB-HUVFLSCGSA-N 1 3 384.612 3.926 20 0 GHADHO FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000248392868 870363571 /nfs/dbraw/zinc/36/35/71/870363571.db2.gz DKXMGSYVPHYRFY-IVAOSVALSA-N 1 3 395.513 3.761 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408632 870385939 /nfs/dbraw/zinc/38/59/39/870385939.db2.gz VSPDXQWMNLIPPO-XMGTWHOFSA-N 1 3 398.595 3.602 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408632 870385994 /nfs/dbraw/zinc/38/59/94/870385994.db2.gz VSPDXQWMNLIPPO-XMGTWHOFSA-N 1 3 398.595 3.602 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000248449967 870430068 /nfs/dbraw/zinc/43/00/68/870430068.db2.gz OWCBQJGPQCREPF-FOIQADDNSA-N 1 3 389.337 3.867 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000248449967 870430077 /nfs/dbraw/zinc/43/00/77/870430077.db2.gz OWCBQJGPQCREPF-FOIQADDNSA-N 1 3 389.337 3.867 20 0 GHADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000540148711 870604302 /nfs/dbraw/zinc/60/43/02/870604302.db2.gz AWONYPQHWDEZHW-XZOQPEGZSA-N 1 3 381.568 3.951 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000249309413 870808911 /nfs/dbraw/zinc/80/89/11/870808911.db2.gz KZTJYJJRYHDPIQ-RBUKOAKNSA-N 1 3 392.613 3.696 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000249309413 870808920 /nfs/dbraw/zinc/80/89/20/870808920.db2.gz KZTJYJJRYHDPIQ-RBUKOAKNSA-N 1 3 392.613 3.696 20 0 GHADHO CN(Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022991 870850749 /nfs/dbraw/zinc/85/07/49/870850749.db2.gz YIEUNBCNRAANBX-BJKOFHAPSA-N 1 3 391.559 3.599 20 0 GHADHO CN(Cc1ccccc1)C[C@@H](C[N@H+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022991 870850762 /nfs/dbraw/zinc/85/07/62/870850762.db2.gz YIEUNBCNRAANBX-BJKOFHAPSA-N 1 3 391.559 3.599 20 0 GHADHO CN(CCNC(=O)C1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000463105907 870896673 /nfs/dbraw/zinc/89/66/73/870896673.db2.gz MMRVOQFECVXBSE-ZEQRLZLVSA-N 1 3 391.559 3.503 20 0 GHADHO CN(CCNC(=O)C1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000463105905 870896764 /nfs/dbraw/zinc/89/67/64/870896764.db2.gz MMRVOQFECVXBSE-BJKOFHAPSA-N 1 3 391.559 3.503 20 0 GHADHO Cc1nc2ccccc2n1CCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000463116572 870953398 /nfs/dbraw/zinc/95/33/98/870953398.db2.gz CVVBLFCPODRZQZ-WWPVKYPJSA-N 1 3 384.568 3.699 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001169101254 871175656 /nfs/dbraw/zinc/17/56/56/871175656.db2.gz PWIPYXOLKXJAPX-WOZUAGRISA-N 1 3 385.552 3.563 20 0 GHADHO Brc1cccc([C@H]([NH2+]CCCN2CCCC2)C2CCOCC2)c1 ZINC000191489372 882488381 /nfs/dbraw/zinc/48/83/81/882488381.db2.gz FOGVGYZHNCIKLQ-LJQANCHMSA-N 1 3 381.358 3.992 20 0 GHADHO Brc1cccc([C@H](NCCC[NH+]2CCCC2)C2CCOCC2)c1 ZINC000191489372 882488394 /nfs/dbraw/zinc/48/83/94/882488394.db2.gz FOGVGYZHNCIKLQ-LJQANCHMSA-N 1 3 381.358 3.992 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(c3ccc(Br)cc3)CCOCC1)C2 ZINC001169114980 871235801 /nfs/dbraw/zinc/23/58/01/871235801.db2.gz FWILPPRGGVEGMU-BCDXTJNWSA-N 1 3 379.342 3.670 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(c3ccc(Br)cc3)CCOCC1)C2 ZINC001169114980 871235820 /nfs/dbraw/zinc/23/58/20/871235820.db2.gz FWILPPRGGVEGMU-BCDXTJNWSA-N 1 3 379.342 3.670 20 0 GHADHO C[C@H]1[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241641 871241194 /nfs/dbraw/zinc/24/11/94/871241194.db2.gz CWWVZCUOKAOLEC-WNXIRNOKSA-N 1 3 391.559 3.819 20 0 GHADHO C[C@H]1[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241641 871241209 /nfs/dbraw/zinc/24/12/09/871241209.db2.gz CWWVZCUOKAOLEC-WNXIRNOKSA-N 1 3 391.559 3.819 20 0 GHADHO C[NH+]1CCC(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000461971034 871386336 /nfs/dbraw/zinc/38/63/36/871386336.db2.gz GZJMTQAZQMEMGF-UHFFFAOYSA-N 1 3 398.378 3.760 20 0 GHADHO Cc1nccn1-c1ccc([C@H](C)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000122344856 882515287 /nfs/dbraw/zinc/51/52/87/882515287.db2.gz XHKQXTAQCSUSRM-SFHVURJKSA-N 1 3 378.520 3.972 20 0 GHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@H](C)O1 ZINC000092587509 871770857 /nfs/dbraw/zinc/77/08/57/871770857.db2.gz GLBSCMWQYJDTIZ-OALUTQOASA-N 1 3 396.535 3.590 20 0 GHADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@H](C)O1 ZINC000092587509 871770869 /nfs/dbraw/zinc/77/08/69/871770869.db2.gz GLBSCMWQYJDTIZ-OALUTQOASA-N 1 3 396.535 3.590 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC2CCN(C3CC3)CC2)cc1 ZINC000447562440 871867965 /nfs/dbraw/zinc/86/79/65/871867965.db2.gz CJURPSWFIRALMD-FCHUYYIVSA-N 1 3 390.593 3.544 20 0 GHADHO O=S1(=O)CC[C@H](NCCCCCCC[NH+]2CCCC2)c2cc(F)ccc21 ZINC000775627446 872101876 /nfs/dbraw/zinc/10/18/76/872101876.db2.gz MKOJDFUHQVFGCB-IBGZPJMESA-N 1 3 382.545 3.680 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000477924779 872154334 /nfs/dbraw/zinc/15/43/34/872154334.db2.gz GYPFBOLQCPXCIE-TVTNDZMWSA-N 1 3 380.523 3.749 20 0 GHADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)CN1CCCC1 ZINC000477926151 872154916 /nfs/dbraw/zinc/15/49/16/872154916.db2.gz FWWUNOFLUQFDKT-RBUKOAKNSA-N 1 3 397.563 3.696 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)ccc1OC ZINC000182483812 872445388 /nfs/dbraw/zinc/44/53/88/872445388.db2.gz PYNYIQNIIKYVML-QGZVFWFLSA-N 1 3 376.541 3.873 20 0 GHADHO CCOc1c(Cl)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)cc1OC ZINC000552392341 872556600 /nfs/dbraw/zinc/55/66/00/872556600.db2.gz PDLFLVIJHPYKQK-JWTNVVGKSA-N 1 3 396.959 3.821 20 0 GHADHO CCOc1c(Cl)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)cc1OC ZINC000552392341 872556614 /nfs/dbraw/zinc/55/66/14/872556614.db2.gz PDLFLVIJHPYKQK-JWTNVVGKSA-N 1 3 396.959 3.821 20 0 GHADHO CN(C)CC[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(C)(C)C ZINC000463900144 872819901 /nfs/dbraw/zinc/81/99/01/872819901.db2.gz ZWZMEWKUGIKOCN-ROUUACIJSA-N 1 3 397.510 3.739 20 0 GHADHO CC(C)CN(Cc1cc2c(cc1Br)OCO2)CC1CC[NH+](C)CC1 ZINC001197193423 873644343 /nfs/dbraw/zinc/64/43/43/873644343.db2.gz AMHSIGODGXSXPC-UHFFFAOYSA-N 1 3 397.357 3.978 20 0 GHADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(=O)N1CCCC1 ZINC000528012868 873884687 /nfs/dbraw/zinc/88/46/87/873884687.db2.gz BRFUIPHAWGQUTE-BHDDXSALSA-N 1 3 383.580 3.525 20 0 GHADHO Cc1cc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cnc1Cl ZINC000769527292 874134004 /nfs/dbraw/zinc/13/40/04/874134004.db2.gz PKKLYSHJPBVQRO-UHFFFAOYSA-N 1 3 378.992 3.672 20 0 GHADHO CCC(CC)[C@H](CNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000449075398 874455440 /nfs/dbraw/zinc/45/54/40/874455440.db2.gz QULZNBNKUSWWSD-UTKZUKDTSA-N 1 3 380.598 3.684 20 0 GHADHO COc1ccccc1N1CC[C@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449191108 874566311 /nfs/dbraw/zinc/56/63/11/874566311.db2.gz PBTIPFLLJZNUFS-REWPJTCUSA-N 1 3 393.575 3.959 20 0 GHADHO C[C@H]1CCN(C(=O)NCCCCCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000745781186 874800301 /nfs/dbraw/zinc/80/03/01/874800301.db2.gz YJNORLYUFNEKIQ-NRFANRHFSA-N 1 3 388.600 3.805 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCC4(C[C@H]3F)OCCO4)cc2)C1 ZINC001199265568 874882793 /nfs/dbraw/zinc/88/27/93/874882793.db2.gz BWRHSWHHFVQXTO-DUXKGJEZSA-N 1 3 376.516 3.642 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCC4(C[C@H]3F)OCCO4)cc2)C1 ZINC001199265568 874882800 /nfs/dbraw/zinc/88/28/00/874882800.db2.gz BWRHSWHHFVQXTO-DUXKGJEZSA-N 1 3 376.516 3.642 20 0 GHADHO C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000460488568 882891935 /nfs/dbraw/zinc/89/19/35/882891935.db2.gz MVCIPHKHWDNCRU-QGZVFWFLSA-N 1 3 377.960 3.510 20 0 GHADHO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNCC1CC[NH+](C)CC1 ZINC000105459195 875298924 /nfs/dbraw/zinc/29/89/24/875298924.db2.gz QWPIHZAFPNCWQK-UHFFFAOYSA-N 1 3 381.351 3.978 20 0 GHADHO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475737456 882936030 /nfs/dbraw/zinc/93/60/30/882936030.db2.gz CWZPTUGOGYVLQH-HZPDHXFCSA-N 1 3 377.960 3.507 20 0 GHADHO c1ccc(CN2CCN(CC[NH2+][C@@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC000491342936 875536142 /nfs/dbraw/zinc/53/61/42/875536142.db2.gz LNDYPJAVHRKXIR-VWLOTQADSA-N 1 3 386.543 3.578 20 0 GHADHO CC(C)=CCC[C@H](C)CCN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001201972809 875959882 /nfs/dbraw/zinc/95/98/82/875959882.db2.gz JIBLAJROJPIMPG-FQEVSTJZSA-N 1 3 376.589 3.940 20 0 GHADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(-c3ccccc3)c(Cl)c2)CC1 ZINC000529526363 876286355 /nfs/dbraw/zinc/28/63/55/876286355.db2.gz SPQVIOUZSIIPFC-UHFFFAOYSA-N 1 3 399.966 3.897 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000192787058 883017464 /nfs/dbraw/zinc/01/74/64/883017464.db2.gz YASOLSLLRWESPI-QHCPKHFHSA-N 1 3 399.554 3.952 20 0 GHADHO CC(C)c1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108421098 876466939 /nfs/dbraw/zinc/46/69/39/876466939.db2.gz PJFTUUZIZWDPEX-HSZRJFAPSA-N 1 3 379.548 3.797 20 0 GHADHO CC(C)c1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108421098 876466945 /nfs/dbraw/zinc/46/69/45/876466945.db2.gz PJFTUUZIZWDPEX-HSZRJFAPSA-N 1 3 379.548 3.797 20 0 GHADHO CC(C)(O)[C@@H]1CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000450596431 876661819 /nfs/dbraw/zinc/66/18/19/876661819.db2.gz GEXPXDCWFTXDGJ-PMACEKPBSA-N 1 3 394.987 3.811 20 0 GHADHO CC(C)(O)[C@@H]1CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000450596431 876661825 /nfs/dbraw/zinc/66/18/25/876661825.db2.gz GEXPXDCWFTXDGJ-PMACEKPBSA-N 1 3 394.987 3.811 20 0 GHADHO CC(C)n1ncc2cc(CNCC3CC[NH+](CC4CC4)CC3)c(Cl)nc21 ZINC000850420408 876901784 /nfs/dbraw/zinc/90/17/84/876901784.db2.gz OHAWCEDFINGBJJ-UHFFFAOYSA-N 1 3 375.948 3.877 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000850516380 876987261 /nfs/dbraw/zinc/98/72/61/876987261.db2.gz DERWPDPPLFREHP-SFHVURJKSA-N 1 3 394.519 3.601 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)nc1 ZINC000852017789 878035183 /nfs/dbraw/zinc/03/51/83/878035183.db2.gz FVVIUSZXTBMRGE-GOSISDBHSA-N 1 3 386.927 3.564 20 0 GHADHO C[NH+](C)Cc1ccc(-c2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000530632490 878202202 /nfs/dbraw/zinc/20/22/02/878202202.db2.gz YZAVOSRLLPBOMY-FQEVSTJZSA-N 1 3 377.492 3.573 20 0 GHADHO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000537968784 878639933 /nfs/dbraw/zinc/63/99/33/878639933.db2.gz WOAGHHJDAAOXHZ-QHCPKHFHSA-N 1 3 379.548 3.623 20 0 GHADHO Cc1ccc(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)c(CN(C)C)c1 ZINC000776654689 878988841 /nfs/dbraw/zinc/98/88/41/878988841.db2.gz REIYVWGBZGNUOV-UKTHLTGXSA-N 1 3 381.520 3.649 20 0 GHADHO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1OCC ZINC000246277690 879328250 /nfs/dbraw/zinc/32/82/50/879328250.db2.gz BEZDMHAYFHUROI-IOMROCGXSA-N 1 3 390.568 3.903 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000246344975 879434926 /nfs/dbraw/zinc/43/49/26/879434926.db2.gz FEAXZMCZLRCRFP-RBUKOAKNSA-N 1 3 392.613 3.552 20 0 GHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000246344975 879434934 /nfs/dbraw/zinc/43/49/34/879434934.db2.gz FEAXZMCZLRCRFP-RBUKOAKNSA-N 1 3 392.613 3.552 20 0 GHADHO CN1CCC(O)(C[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461431179 879842796 /nfs/dbraw/zinc/84/27/96/879842796.db2.gz ZGHIPVUOHFZTLI-UHFFFAOYSA-N 1 3 378.875 3.818 20 0 GHADHO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000285989071 912528097 /nfs/dbraw/zinc/52/80/97/912528097.db2.gz IAEWBJLXSSYPCX-WXFUMESZSA-N 1 3 383.580 3.525 20 0 GHADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3ccc(Cl)cc3Cl)CC2)C1=O ZINC001275202031 912604515 /nfs/dbraw/zinc/60/45/15/912604515.db2.gz MDOHMUVZUGVEAK-FQEVSTJZSA-N 1 3 398.378 3.760 20 0 GHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000531948408 880806631 /nfs/dbraw/zinc/80/66/31/880806631.db2.gz YEHPXNCPAFWKRF-RBBKRZOGSA-N 1 3 377.617 3.654 20 0 GHADHO COc1ccsc1CNCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000531953568 880814943 /nfs/dbraw/zinc/81/49/43/880814943.db2.gz QXNXVNBRMMLGIM-UHFFFAOYSA-N 1 3 399.482 3.817 20 0 GHADHO CCCCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OCC ZINC000532015857 880925927 /nfs/dbraw/zinc/92/59/27/880925927.db2.gz APHFHKREFVCHFS-SFTDATJTSA-N 1 3 390.568 3.732 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccc(OC)c(OC)c2)CC1 ZINC000532042288 880974414 /nfs/dbraw/zinc/97/44/14/880974414.db2.gz HETDPIMEDCVVIW-UHFFFAOYSA-N 1 3 397.563 3.568 20 0 GHADHO C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000132336425 881093614 /nfs/dbraw/zinc/09/36/14/881093614.db2.gz SSGWYJDVWVZKDI-NRFANRHFSA-N 1 3 389.559 3.618 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490917 883141693 /nfs/dbraw/zinc/14/16/93/883141693.db2.gz SIIJKKXSYZKJJU-WMZOPIPTSA-N 1 3 390.572 3.797 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccsc1 ZINC000193434745 883272525 /nfs/dbraw/zinc/27/25/25/883272525.db2.gz LWRBUAIVAIVKKT-HXUWFJFHSA-N 1 3 392.613 3.648 20 0 GHADHO Fc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)ccc1Cl ZINC001211911942 883987117 /nfs/dbraw/zinc/98/71/17/883987117.db2.gz VQVXTXUFQMHBRF-INIZCTEOSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)ccc1Cl ZINC001211911942 883987132 /nfs/dbraw/zinc/98/71/32/883987132.db2.gz VQVXTXUFQMHBRF-INIZCTEOSA-N 1 3 398.869 3.718 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000508880080 884083807 /nfs/dbraw/zinc/08/38/07/884083807.db2.gz KSTVIASZCKMNHG-KNQAVFIVSA-N 1 3 388.600 3.831 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000508880080 884083824 /nfs/dbraw/zinc/08/38/24/884083824.db2.gz KSTVIASZCKMNHG-KNQAVFIVSA-N 1 3 388.600 3.831 20 0 GHADHO O=C(OCC1CC[NH+](Cc2ccco2)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000805901811 884186860 /nfs/dbraw/zinc/18/68/60/884186860.db2.gz XPLGNRPIUOKCFQ-UHFFFAOYSA-N 1 3 396.531 3.947 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000532955396 884677365 /nfs/dbraw/zinc/67/73/65/884677365.db2.gz XRRPXFIQWHADSI-UHFFFAOYSA-N 1 3 392.547 3.976 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000532955396 884677378 /nfs/dbraw/zinc/67/73/78/884677378.db2.gz XRRPXFIQWHADSI-UHFFFAOYSA-N 1 3 392.547 3.976 20 0 GHADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000302980903 885409835 /nfs/dbraw/zinc/40/98/35/885409835.db2.gz JOYGFFMJTVTPQZ-HCXYKTFWSA-N 1 3 392.613 3.551 20 0 GHADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000302980903 885409841 /nfs/dbraw/zinc/40/98/41/885409841.db2.gz JOYGFFMJTVTPQZ-HCXYKTFWSA-N 1 3 392.613 3.551 20 0 GHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303018997 885427694 /nfs/dbraw/zinc/42/76/94/885427694.db2.gz OIAUMVFRDBENAC-DNQXCXABSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303018997 885427700 /nfs/dbraw/zinc/42/77/00/885427700.db2.gz OIAUMVFRDBENAC-DNQXCXABSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303018996 885428321 /nfs/dbraw/zinc/42/83/21/885428321.db2.gz OIAUMVFRDBENAC-BJKOFHAPSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303018996 885428329 /nfs/dbraw/zinc/42/83/29/885428329.db2.gz OIAUMVFRDBENAC-BJKOFHAPSA-N 1 3 391.559 3.852 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cnc4[nH]cc(F)c4c3)c3ccccc23)CC1 ZINC001170529183 885606909 /nfs/dbraw/zinc/60/69/09/885606909.db2.gz YECOIPXWBURHEU-UHFFFAOYSA-N 1 3 377.467 3.612 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCNc2cccc(Br)c2)[C@H](C)C1 ZINC000495420385 885747367 /nfs/dbraw/zinc/74/73/67/885747367.db2.gz HMYRUJIBDMDSHT-VQIMIIECSA-N 1 3 398.389 3.588 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCNc2cccc(Br)c2)[C@H](C)C1 ZINC000495420385 885747377 /nfs/dbraw/zinc/74/73/77/885747377.db2.gz HMYRUJIBDMDSHT-VQIMIIECSA-N 1 3 398.389 3.588 20 0 GHADHO Cc1ccc2c(c1)[C@H](NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCCO2 ZINC000132702521 887690366 /nfs/dbraw/zinc/69/03/66/887690366.db2.gz ZSKHLUBUVWHGKE-HSZRJFAPSA-N 1 3 380.532 3.955 20 0 GHADHO Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000132814803 887703710 /nfs/dbraw/zinc/70/37/10/887703710.db2.gz BLNHLEKTRDJTSH-BFUOFWGJSA-N 1 3 397.332 3.666 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccsc1 ZINC000193841999 887785291 /nfs/dbraw/zinc/78/52/91/887785291.db2.gz CDSPKPNUKLCIEE-GOSISDBHSA-N 1 3 380.602 3.693 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000054698692 888031354 /nfs/dbraw/zinc/03/13/54/888031354.db2.gz PDMGCSNKZCUFCX-UGKGYDQZSA-N 1 3 386.584 3.584 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000054698692 888031368 /nfs/dbraw/zinc/03/13/68/888031368.db2.gz PDMGCSNKZCUFCX-UGKGYDQZSA-N 1 3 386.584 3.584 20 0 GHADHO Cc1ccnc(CNCC2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000865519165 888403631 /nfs/dbraw/zinc/40/36/31/888403631.db2.gz WRBBNHHFUCXLLH-UHFFFAOYSA-N 1 3 375.314 3.554 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c5c(cccc53)CC4)CC2)CC1 ZINC000195342535 888681552 /nfs/dbraw/zinc/68/15/52/888681552.db2.gz GKGFHAMVOLGHGT-UHFFFAOYSA-N 1 3 392.547 3.619 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000454326771 888857039 /nfs/dbraw/zinc/85/70/39/888857039.db2.gz SLLCPAZVIFFLML-IBGZPJMESA-N 1 3 380.536 3.734 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000465530364 889253895 /nfs/dbraw/zinc/25/38/95/889253895.db2.gz ZGKFYCZOSCZOKZ-MJGOQNOKSA-N 1 3 380.602 3.504 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000465530364 889253906 /nfs/dbraw/zinc/25/39/06/889253906.db2.gz ZGKFYCZOSCZOKZ-MJGOQNOKSA-N 1 3 380.602 3.504 20 0 GHADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)COCc1ccccc1Cl ZINC000644513645 913326730 /nfs/dbraw/zinc/32/67/30/913326730.db2.gz HMVCXLCOCFAQDW-OAQYLSRUSA-N 1 3 388.939 3.603 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000125093777 889871885 /nfs/dbraw/zinc/87/18/85/889871885.db2.gz JXORRTSHPZYFLW-DPLHUUCSSA-N 1 3 387.612 3.939 20 0 GHADHO [NH3+]C1CCC(N(c2ccc3c(c2)COC32CNC2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170648423 890102386 /nfs/dbraw/zinc/10/23/86/890102386.db2.gz WLTIZTGZHIXNRX-JKZQUWDESA-N 1 3 389.543 3.648 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000533547968 890821036 /nfs/dbraw/zinc/82/10/36/890821036.db2.gz JPOQUTKVPTVHKR-HSALFYBXSA-N 1 3 397.563 3.694 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCSC5)C4)[C@@H]3C2)cc1 ZINC000248398719 891430574 /nfs/dbraw/zinc/43/05/74/891430574.db2.gz JGNFUCXMGFATOQ-NQQQLTFYSA-N 1 3 386.605 3.931 20 0 GHADHO CC[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(OC(F)F)cc1 ZINC000873247790 891548143 /nfs/dbraw/zinc/54/81/43/891548143.db2.gz UKSISPUXIGDXQW-IBGZPJMESA-N 1 3 387.434 3.568 20 0 GHADHO CC[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cccc(Cl)c1F ZINC000161579513 891758637 /nfs/dbraw/zinc/75/86/37/891758637.db2.gz KVYSRWXWPGOZAI-SFHVURJKSA-N 1 3 376.907 3.867 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000128716577 892322704 /nfs/dbraw/zinc/32/27/04/892322704.db2.gz NMFSITGBTAYJKV-LJQANCHMSA-N 1 3 390.572 3.540 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000128716577 892322721 /nfs/dbraw/zinc/32/27/21/892322721.db2.gz NMFSITGBTAYJKV-LJQANCHMSA-N 1 3 390.572 3.540 20 0 GHADHO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CCCN(C)C2)cc1OC ZINC000068722571 892609440 /nfs/dbraw/zinc/60/94/40/892609440.db2.gz UDLVALBRPQDGSR-CQSZACIVSA-N 1 3 385.346 3.678 20 0 GHADHO C[C@@H](Nc1cccc(CN2CCN(C)CC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508708254 892775144 /nfs/dbraw/zinc/77/51/44/892775144.db2.gz ARYLBDWTIXQMBP-QPPBQGQZSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@@H](Nc1cccc(CN2CCN(C)CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708254 892775166 /nfs/dbraw/zinc/77/51/66/892775166.db2.gz ARYLBDWTIXQMBP-QPPBQGQZSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508715731 892865443 /nfs/dbraw/zinc/86/54/43/892865443.db2.gz XMECKOVPUAWEAE-FUHWJXTLSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1cccc(C(F)(F)F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715731 892865456 /nfs/dbraw/zinc/86/54/56/892865456.db2.gz XMECKOVPUAWEAE-FUHWJXTLSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1cccc(C(F)(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715731 892865474 /nfs/dbraw/zinc/86/54/74/892865474.db2.gz XMECKOVPUAWEAE-FUHWJXTLSA-N 1 3 393.453 3.979 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(OC(C)(C)C)c3)CC2)CC1 ZINC000934050568 893358612 /nfs/dbraw/zinc/35/86/12/893358612.db2.gz UOWOUCGHFAXHCH-UHFFFAOYSA-N 1 3 388.556 3.544 20 0 GHADHO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000877055132 893459701 /nfs/dbraw/zinc/45/97/01/893459701.db2.gz NLAVDIIOOGSGLJ-SFHVURJKSA-N 1 3 389.540 3.624 20 0 GHADHO C[NH+](C)CCOc1cc(CNCc2cc3nc(Cl)ccc3s2)ccn1 ZINC000877163739 893516582 /nfs/dbraw/zinc/51/65/82/893516582.db2.gz UDUQDYUGPWRJAH-UHFFFAOYSA-N 1 3 376.913 3.575 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCC[C@H](c4ccccc4)O3)CC2)CC1 ZINC000878323393 894194445 /nfs/dbraw/zinc/19/44/45/894194445.db2.gz WUFNKAGKYSMKDJ-DNQXCXABSA-N 1 3 385.596 3.787 20 0 GHADHO COc1ccccc1-c1nc(CN2CCC(CCC[NH+]3CCOCC3)CC2)co1 ZINC000878389511 894251507 /nfs/dbraw/zinc/25/15/07/894251507.db2.gz KHUOXDCQHDFWRF-UHFFFAOYSA-N 1 3 399.535 3.675 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001135296574 894334203 /nfs/dbraw/zinc/33/42/03/894334203.db2.gz YAMYFUBBRKOREO-RTBURBONSA-N 1 3 377.598 3.758 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001135296574 894334220 /nfs/dbraw/zinc/33/42/20/894334220.db2.gz YAMYFUBBRKOREO-RTBURBONSA-N 1 3 377.598 3.758 20 0 GHADHO C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000645493390 913932978 /nfs/dbraw/zinc/93/29/78/913932978.db2.gz ZLKVNDJBJQZFMZ-NFBKMPQASA-N 1 3 386.580 3.710 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000565058766 895373615 /nfs/dbraw/zinc/37/36/15/895373615.db2.gz ZYKNHKMSGSIYBA-GOSISDBHSA-N 1 3 388.943 3.869 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3cc4ccccc4nc3Cl)CC2)CC1 ZINC000817287954 895440825 /nfs/dbraw/zinc/44/08/25/895440825.db2.gz REMUQGHBZJBXKE-UHFFFAOYSA-N 1 3 386.971 3.880 20 0 GHADHO CC(C)(O)[C@@H]1CCN(Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](C(C)(C)O)C3)c2)C1 ZINC000880148657 895541962 /nfs/dbraw/zinc/54/19/62/895541962.db2.gz IWQKWLGSZQELHC-KDURUIRLSA-N 1 3 394.987 3.526 20 0 GHADHO CC(C)(O)[C@@H]1CCN(Cc2cc(Cl)cc(C[N@H+]3CC[C@H](C(C)(C)O)C3)c2)C1 ZINC000880148657 895541967 /nfs/dbraw/zinc/54/19/67/895541967.db2.gz IWQKWLGSZQELHC-KDURUIRLSA-N 1 3 394.987 3.526 20 0 GHADHO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(CN3CC[C@H](C(C)(C)O)C3)c2)C1 ZINC000880148657 895541974 /nfs/dbraw/zinc/54/19/74/895541974.db2.gz IWQKWLGSZQELHC-KDURUIRLSA-N 1 3 394.987 3.526 20 0 GHADHO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(CN3CC[C@H](C(C)(C)O)C3)c2)C1 ZINC000880148657 895541978 /nfs/dbraw/zinc/54/19/78/895541978.db2.gz IWQKWLGSZQELHC-KDURUIRLSA-N 1 3 394.987 3.526 20 0 GHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000565940131 895996200 /nfs/dbraw/zinc/99/62/00/895996200.db2.gz MIRVHMSZEBACAJ-FGZHOGPDSA-N 1 3 396.579 3.888 20 0 GHADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000289091810 914032095 /nfs/dbraw/zinc/03/20/95/914032095.db2.gz BNOIGFTUFXMUFD-OAQYLSRUSA-N 1 3 384.495 3.568 20 0 GHADHO [NH3+]CCC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000566210946 896174063 /nfs/dbraw/zinc/17/40/63/896174063.db2.gz AJOBVRMNUFMLDA-IRLDBZIGSA-N 1 3 383.511 3.634 20 0 GHADHO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245034 896196614 /nfs/dbraw/zinc/19/66/14/896196614.db2.gz XXJMJELXAJSMNA-IPJJNNNSSA-N 1 3 381.495 3.827 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819282960 896525754 /nfs/dbraw/zinc/52/57/54/896525754.db2.gz DWFQSKHDYZFWHN-LADGPHEKSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819282960 896525763 /nfs/dbraw/zinc/52/57/63/896525763.db2.gz DWFQSKHDYZFWHN-LADGPHEKSA-N 1 3 382.548 3.545 20 0 GHADHO c1ccc(CN2CCCC[C@@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000567034084 896817908 /nfs/dbraw/zinc/81/79/08/896817908.db2.gz PLDGOCFFAPYSQP-QHCPKHFHSA-N 1 3 392.591 3.938 20 0 GHADHO Cc1ccccc1C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccco1 ZINC000820808074 897536146 /nfs/dbraw/zinc/53/61/46/897536146.db2.gz XNHPZQHMUSFHEP-JOCHJYFZSA-N 1 3 390.531 3.808 20 0 GHADHO C[C@H](N[C@H](Cn1ccnc1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000883386158 897548966 /nfs/dbraw/zinc/54/89/66/897548966.db2.gz APEVOOYBFCHHCF-WMZHIEFXSA-N 1 3 378.520 3.916 20 0 GHADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CC3(CCOCC3)Oc3ccccc32)cc1 ZINC000883395387 897557942 /nfs/dbraw/zinc/55/79/42/897557942.db2.gz SKOMHEJLGCZJAG-JOCHJYFZSA-N 1 3 396.531 3.790 20 0 GHADHO C[C@H]1C[NH+](CCCCNCc2c(F)cccc2OC(F)(F)F)C[C@H](C)O1 ZINC000568125481 897615694 /nfs/dbraw/zinc/61/56/94/897615694.db2.gz CEOPRXDMFAKHKU-KBPBESRZSA-N 1 3 378.410 3.703 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]C[C@H]3CCC=CO3)CC2)c1 ZINC000774962550 914226937 /nfs/dbraw/zinc/22/69/37/914226937.db2.gz MKPVWGSCJLCNMC-HXUWFJFHSA-N 1 3 397.485 3.890 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC000289696304 914302066 /nfs/dbraw/zinc/30/20/66/914302066.db2.gz HCULREUVKWRPRH-UHFFFAOYSA-N 1 3 388.531 3.562 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000570153624 899161696 /nfs/dbraw/zinc/16/16/96/899161696.db2.gz NGFFWGOFNNCQND-XIKOKIGWSA-N 1 3 375.314 3.808 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000570165731 899169148 /nfs/dbraw/zinc/16/91/48/899169148.db2.gz AGEIQBWVODSHSP-WMZHIEFXSA-N 1 3 391.559 3.622 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000823676395 899203513 /nfs/dbraw/zinc/20/35/13/899203513.db2.gz ANZQHPHEISAMTJ-LJQANCHMSA-N 1 3 389.547 3.761 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000823795685 899265417 /nfs/dbraw/zinc/26/54/17/899265417.db2.gz SWFPVWMZYFHTLO-GHTZIAJQSA-N 1 3 387.568 3.681 20 0 GHADHO O=C(C1CC1)N1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000572787575 900276887 /nfs/dbraw/zinc/27/68/87/900276887.db2.gz AOWMELSYEQUVNJ-OEMFJLHTSA-N 1 3 395.591 3.668 20 0 GHADHO CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000573813318 900644140 /nfs/dbraw/zinc/64/41/40/900644140.db2.gz NZRDTFYSXYZKCB-MJGOQNOKSA-N 1 3 385.552 3.851 20 0 GHADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329388 900702560 /nfs/dbraw/zinc/70/25/60/900702560.db2.gz NHOVUYGUKRNSKW-FOIQADDNSA-N 1 3 380.504 3.822 20 0 GHADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329388 900702571 /nfs/dbraw/zinc/70/25/71/900702571.db2.gz NHOVUYGUKRNSKW-FOIQADDNSA-N 1 3 380.504 3.822 20 0 GHADHO CC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 ZINC000886522370 901118541 /nfs/dbraw/zinc/11/85/41/901118541.db2.gz HUIUMLDIMMNAQY-XWGVYQGASA-N 1 3 377.532 3.830 20 0 GHADHO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000575882999 901425410 /nfs/dbraw/zinc/42/54/10/901425410.db2.gz FSQRALIEKFJFTC-KEJFTWOCSA-N 1 3 395.591 3.810 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000576647052 902156978 /nfs/dbraw/zinc/15/69/78/902156978.db2.gz OSCQTKGETPYEKC-INIZCTEOSA-N 1 3 393.522 3.681 20 0 GHADHO Cc1cc(Br)cc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000775031819 914633808 /nfs/dbraw/zinc/63/38/08/914633808.db2.gz UDBVERARLOLTHL-OALUTQOASA-N 1 3 381.358 3.615 20 0 GHADHO N=C(N)Nc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)cc1 ZINC001148649962 904136784 /nfs/dbraw/zinc/13/67/84/904136784.db2.gz BKOZBYWCZQFOEI-OAQYLSRUSA-N 1 3 391.519 3.587 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CNC4)cc2)C1 ZINC000578978158 904273824 /nfs/dbraw/zinc/27/38/24/904273824.db2.gz LIZQYPMWLXHMQC-QGZVFWFLSA-N 1 3 378.520 3.843 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CNC4)cc2)C1 ZINC000578978158 904273828 /nfs/dbraw/zinc/27/38/28/904273828.db2.gz LIZQYPMWLXHMQC-QGZVFWFLSA-N 1 3 378.520 3.843 20 0 GHADHO COC(=O)c1cccc(C[NH2+]C2CCN([C@@H]3CCc4c(C)cccc4C3)CC2)c1 ZINC001171579565 904848550 /nfs/dbraw/zinc/84/85/50/904848550.db2.gz QDETVUPFLVYXDK-HSZRJFAPSA-N 1 3 392.543 3.893 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171632221 904853479 /nfs/dbraw/zinc/85/34/79/904853479.db2.gz XGJPQVHGVCNUOS-INIZCTEOSA-N 1 3 379.589 3.827 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171632221 904853493 /nfs/dbraw/zinc/85/34/93/904853493.db2.gz XGJPQVHGVCNUOS-INIZCTEOSA-N 1 3 379.589 3.827 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876435 905079527 /nfs/dbraw/zinc/07/95/27/905079527.db2.gz BLTJTRVJTFVMQO-NZQKXSOJSA-N 1 3 379.548 3.778 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876435 905079546 /nfs/dbraw/zinc/07/95/46/905079546.db2.gz BLTJTRVJTFVMQO-NZQKXSOJSA-N 1 3 379.548 3.778 20 0 GHADHO C[C@@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001171934594 905190518 /nfs/dbraw/zinc/19/05/18/905190518.db2.gz ORPYCXTXJDWCAJ-HRRASNIPSA-N 1 3 385.596 3.709 20 0 GHADHO COc1ccc(C[C@H](CO)N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977362 905222859 /nfs/dbraw/zinc/22/28/59/905222859.db2.gz AYGQCCMKZZMFMS-FCHUYYIVSA-N 1 3 382.548 3.631 20 0 GHADHO COc1ccc(C[C@H](CO)N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977362 905222875 /nfs/dbraw/zinc/22/28/75/905222875.db2.gz AYGQCCMKZZMFMS-FCHUYYIVSA-N 1 3 382.548 3.631 20 0 GHADHO O=C1NCCC2(CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)O1 ZINC001172083246 905295512 /nfs/dbraw/zinc/29/55/12/905295512.db2.gz OZEWDZMAPWTGAO-AERCQKQUSA-N 1 3 383.536 3.537 20 0 GHADHO O=C1NCCC2(CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)O1 ZINC001172083246 905295529 /nfs/dbraw/zinc/29/55/29/905295529.db2.gz OZEWDZMAPWTGAO-AERCQKQUSA-N 1 3 383.536 3.537 20 0 GHADHO CCN(C(C)=O)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172088739 905305144 /nfs/dbraw/zinc/30/51/44/905305144.db2.gz NYXYUCSXLXODQT-BKFWDETESA-N 1 3 383.580 3.905 20 0 GHADHO CCN(C(C)=O)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172088739 905305159 /nfs/dbraw/zinc/30/51/59/905305159.db2.gz NYXYUCSXLXODQT-BKFWDETESA-N 1 3 383.580 3.905 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)c(OC3CCOCC3)c(F)c1)C2 ZINC001172115580 905368398 /nfs/dbraw/zinc/36/83/98/905368398.db2.gz SONVDXXKOSULBL-OSYLJGHBSA-N 1 3 380.479 3.628 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@H]21 ZINC001172123314 905383665 /nfs/dbraw/zinc/38/36/65/905383665.db2.gz ZNDUINNQBYODKM-POTYRQCXSA-N 1 3 382.596 3.629 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@H]21 ZINC001172123314 905383702 /nfs/dbraw/zinc/38/37/02/905383702.db2.gz ZNDUINNQBYODKM-POTYRQCXSA-N 1 3 382.596 3.629 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172609956 905668690 /nfs/dbraw/zinc/66/86/90/905668690.db2.gz SKRXASKDRMVWQV-SJLPKXTDSA-N 1 3 398.469 3.773 20 0 GHADHO CN1C(C)(C)CC([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1(C)C ZINC001172811736 905844730 /nfs/dbraw/zinc/84/47/30/905844730.db2.gz CYLMIOFWMJDNRB-ZNXRZULTSA-N 1 3 377.573 3.934 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CCc3ncsc3C1)CC2 ZINC001173133775 906215399 /nfs/dbraw/zinc/21/53/99/906215399.db2.gz FCRAEAHBUOCBKZ-UXHICEINSA-N 1 3 397.588 3.756 20 0 GHADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180998064 906892557 /nfs/dbraw/zinc/89/25/57/906892557.db2.gz YNZOYKNATDLVJB-OAHLLOKOSA-N 1 3 388.581 3.717 20 0 GHADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183185959 907345277 /nfs/dbraw/zinc/34/52/77/907345277.db2.gz UQTYRWQQPZOAPC-BZUAXINKSA-N 1 3 378.948 3.695 20 0 GHADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183185959 907345298 /nfs/dbraw/zinc/34/52/98/907345298.db2.gz UQTYRWQQPZOAPC-BZUAXINKSA-N 1 3 378.948 3.695 20 0 GHADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185959 907345316 /nfs/dbraw/zinc/34/53/16/907345316.db2.gz UQTYRWQQPZOAPC-BZUAXINKSA-N 1 3 378.948 3.695 20 0 GHADHO OC1(CCNC2CC[NH+](C3CCCCC3)CC2)CCN(c2ccccc2)CC1 ZINC000631219301 907636419 /nfs/dbraw/zinc/63/64/19/907636419.db2.gz VGXZOHCXCMXACU-UHFFFAOYSA-N 1 3 385.596 3.795 20 0 GHADHO CCCN1CCc2c(N)sc(Nc3ccc(OCCC[NH+](C)C)nc3)c2C1 ZINC001176355197 908069746 /nfs/dbraw/zinc/06/97/46/908069746.db2.gz NVERTIBFXZIELY-UHFFFAOYSA-N 1 3 389.569 3.568 20 0 GHADHO CS(=O)(=O)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000192791105 908825046 /nfs/dbraw/zinc/82/50/46/908825046.db2.gz WNIGEULRWKPCPN-NOTZXAQLSA-N 1 3 398.572 3.516 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001178728644 909223285 /nfs/dbraw/zinc/22/32/85/909223285.db2.gz KHDMXCPLSKVVBA-AGILITTLSA-N 1 3 391.559 3.708 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001178728644 909223300 /nfs/dbraw/zinc/22/33/00/909223300.db2.gz KHDMXCPLSKVVBA-AGILITTLSA-N 1 3 391.559 3.708 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000245843021 909956415 /nfs/dbraw/zinc/95/64/15/909956415.db2.gz DAFPPTTXVOLZQR-QHAWAJNXSA-N 1 3 387.568 3.586 20 0 GHADHO CS(=O)(=O)Nc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638375000 910135693 /nfs/dbraw/zinc/13/56/93/910135693.db2.gz UJOCMJXOJYLOOE-UNMCSNQZSA-N 1 3 399.560 3.516 20 0 GHADHO CS(=O)(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638375000 910135702 /nfs/dbraw/zinc/13/57/02/910135702.db2.gz UJOCMJXOJYLOOE-UNMCSNQZSA-N 1 3 399.560 3.516 20 0 GHADHO COc1cc2cccnc2c(N(C(=O)CN(C)C2CCCC2)[C@H](C)CCC[NH3+])c1 ZINC001180630116 910277072 /nfs/dbraw/zinc/27/70/72/910277072.db2.gz KASZGIGGOJEXED-QGZVFWFLSA-N 1 3 398.551 3.578 20 0 GHADHO CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000270306844 910510796 /nfs/dbraw/zinc/51/07/96/910510796.db2.gz DEDMSNLUFLWVOT-UHFFFAOYSA-N 1 3 380.458 3.578 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001181471600 910784067 /nfs/dbraw/zinc/78/40/67/910784067.db2.gz ISBOOPAPIKTDFS-IYWMVGAKSA-N 1 3 379.589 3.875 20 0 GHADHO CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000646947389 914944644 /nfs/dbraw/zinc/94/46/44/914944644.db2.gz YTADPAODSXGCQC-KMDXXIMOSA-N 1 3 391.559 3.503 20 0 GHADHO CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000646947389 914944655 /nfs/dbraw/zinc/94/46/55/914944655.db2.gz YTADPAODSXGCQC-KMDXXIMOSA-N 1 3 391.559 3.503 20 0 GHADHO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Br)c1OC ZINC000647977919 915459956 /nfs/dbraw/zinc/45/99/56/915459956.db2.gz JSYOHYMEDRXVQR-LSDHHAIUSA-N 1 3 397.357 3.678 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377965 915643044 /nfs/dbraw/zinc/64/30/44/915643044.db2.gz ZOWBOSVZKVQCHC-SFYKDHMMSA-N 1 3 379.548 3.950 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377965 915643053 /nfs/dbraw/zinc/64/30/53/915643053.db2.gz ZOWBOSVZKVQCHC-SFYKDHMMSA-N 1 3 379.548 3.950 20 0 GHADHO CC(C)N(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649065366 916009741 /nfs/dbraw/zinc/00/97/41/916009741.db2.gz XXKGHBJEUMKWKJ-HSZRJFAPSA-N 1 3 379.548 3.873 20 0 GHADHO CC(C)N(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649065366 916009757 /nfs/dbraw/zinc/00/97/57/916009757.db2.gz XXKGHBJEUMKWKJ-HSZRJFAPSA-N 1 3 379.548 3.873 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)CCCCC4)CC2)CC1 ZINC000650424307 916974685 /nfs/dbraw/zinc/97/46/85/916974685.db2.gz WZPTWIOHPAVSJC-UHFFFAOYSA-N 1 3 384.568 3.636 20 0 GHADHO CCOC[C@@H]1CCN(Cc2cc(C[N@@H+]3CC[C@@H](COCC)C3)ccc2F)C1 ZINC000294865708 917019655 /nfs/dbraw/zinc/01/96/55/917019655.db2.gz DIUIIJRXKMRQIH-WOJBJXKFSA-N 1 3 378.532 3.543 20 0 GHADHO CCOC[C@@H]1CCN(Cc2cc(C[N@H+]3CC[C@@H](COCC)C3)ccc2F)C1 ZINC000294865708 917019669 /nfs/dbraw/zinc/01/96/69/917019669.db2.gz DIUIIJRXKMRQIH-WOJBJXKFSA-N 1 3 378.532 3.543 20 0 GHADHO CSc1cc(Br)ccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708153 917244075 /nfs/dbraw/zinc/24/40/75/917244075.db2.gz UKEAWGRGHNEOJR-IAOVAPTHSA-N 1 3 399.398 3.889 20 0 GHADHO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1 ZINC000775379536 917309017 /nfs/dbraw/zinc/30/90/17/917309017.db2.gz RTJKJDRDBFWFDO-KRWDZBQOSA-N 1 3 389.540 3.563 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1CN1CCCCC1 ZINC000775392971 917378103 /nfs/dbraw/zinc/37/81/03/917378103.db2.gz JBATYVVILKZXFC-AUSIDOKSSA-N 1 3 382.548 3.935 20 0 GHADHO CC1CC[NH+](CCC[C@H](NCCN2CCCC2=O)c2ccc(F)cc2)CC1 ZINC000652294155 917866425 /nfs/dbraw/zinc/86/64/25/917866425.db2.gz RPHWBPVAIXOFTE-NRFANRHFSA-N 1 3 375.532 3.591 20 0 GHADHO CN(CCCC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000653685734 918418349 /nfs/dbraw/zinc/41/83/49/918418349.db2.gz BPZUEKBEAOJQRQ-UHFFFAOYSA-N 1 3 396.963 3.619 20 0 GHADHO c1ccc(C(OCC[N@@H+]2CCNCCC23CCOCC3)c2ccccc2)cc1 ZINC000903815736 923310531 /nfs/dbraw/zinc/31/05/31/923310531.db2.gz RMZNJZNSGWZVAM-UHFFFAOYSA-N 1 3 380.532 3.637 20 0 GHADHO c1ccc(C(OCC[N@H+]2CCNCCC23CCOCC3)c2ccccc2)cc1 ZINC000903815736 923310545 /nfs/dbraw/zinc/31/05/45/923310545.db2.gz RMZNJZNSGWZVAM-UHFFFAOYSA-N 1 3 380.532 3.637 20 0 GHADHO COc1cc(Cl)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000677150806 924260567 /nfs/dbraw/zinc/26/05/67/924260567.db2.gz SYOMBNFZQDUXBS-KBPBESRZSA-N 1 3 375.340 3.981 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000678125446 924619157 /nfs/dbraw/zinc/61/91/57/924619157.db2.gz VMLMEIUXKWBYLT-NRFANRHFSA-N 1 3 382.504 3.735 20 0 GHADHO Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCCN(Cc4ccccc4)C3)c(C)n2n1 ZINC000678542049 924817746 /nfs/dbraw/zinc/81/77/46/924817746.db2.gz MNMZAOMQEQGMMA-GHTZIAJQSA-N 1 3 377.536 3.909 20 0 GHADHO CC[NH+]1CCC(NC(=O)CNC2(c3ccc(Cl)cc3)CCCCC2)CC1 ZINC000411354301 926326277 /nfs/dbraw/zinc/32/62/77/926326277.db2.gz MWXDSFJZNPGIHA-UHFFFAOYSA-N 1 3 377.960 3.690 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)CC1 ZINC000411478494 926444605 /nfs/dbraw/zinc/44/46/05/926444605.db2.gz KNTVEWMHMOMXOT-JJXUHFIVSA-N 1 3 377.960 3.616 20 0 GHADHO CSc1ccccc1NC(=O)CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518828 926485691 /nfs/dbraw/zinc/48/56/91/926485691.db2.gz QKSVRFDCYCQZQP-IAGOWNOFSA-N 1 3 375.582 3.980 20 0 GHADHO CSc1ccccc1NC(=O)CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518828 926485693 /nfs/dbraw/zinc/48/56/93/926485693.db2.gz QKSVRFDCYCQZQP-IAGOWNOFSA-N 1 3 375.582 3.980 20 0 GHADHO CN(CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411723725 926692497 /nfs/dbraw/zinc/69/24/97/926692497.db2.gz XPEXIURKAOZBMX-QNLWVQNGSA-N 1 3 397.588 3.901 20 0 GHADHO CN(CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411723725 926692500 /nfs/dbraw/zinc/69/25/00/926692500.db2.gz XPEXIURKAOZBMX-QNLWVQNGSA-N 1 3 397.588 3.901 20 0 GHADHO CC[C@@H](N[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000411894300 926888060 /nfs/dbraw/zinc/88/80/60/926888060.db2.gz QFFOZDBQGQRTEY-WMZHIEFXSA-N 1 3 379.548 3.897 20 0 GHADHO CN1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H]1c1ccccc1 ZINC000412223103 927224816 /nfs/dbraw/zinc/22/48/16/927224816.db2.gz TUOWWZYUFYYLOI-PKTZIBPZSA-N 1 3 377.532 3.848 20 0 GHADHO Cc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC000413203944 928318529 /nfs/dbraw/zinc/31/85/29/928318529.db2.gz NCUMJOFUFGTCHD-UHFFFAOYSA-N 1 3 394.563 3.506 20 0 GHADHO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000753547763 929406414 /nfs/dbraw/zinc/40/64/14/929406414.db2.gz VRLSSJIQAQIKAP-OXJNMPFZSA-N 1 3 399.539 3.701 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469440743 929890017 /nfs/dbraw/zinc/89/00/17/929890017.db2.gz MNKJLJQSFOHVLJ-FGZHOGPDSA-N 1 3 388.600 3.516 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469440743 929890019 /nfs/dbraw/zinc/89/00/19/929890019.db2.gz MNKJLJQSFOHVLJ-FGZHOGPDSA-N 1 3 388.600 3.516 20 0 GHADHO O=C(NC[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000469874165 930226789 /nfs/dbraw/zinc/22/67/89/930226789.db2.gz VGNRVHAIRLYYQG-WZONZLPQSA-N 1 3 395.522 3.573 20 0 GHADHO C[C@H]1C[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000781337793 930801593 /nfs/dbraw/zinc/80/15/93/930801593.db2.gz LMBUJGZUSDJZPI-YJBOKZPZSA-N 1 3 387.515 3.756 20 0 GHADHO C[C@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000781337793 930801598 /nfs/dbraw/zinc/80/15/98/930801598.db2.gz LMBUJGZUSDJZPI-YJBOKZPZSA-N 1 3 387.515 3.756 20 0 GHADHO CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000781424753 930840296 /nfs/dbraw/zinc/84/02/96/930840296.db2.gz YOXUEYPDJAPBEI-MDNUFGMLSA-N 1 3 399.579 3.886 20 0 GHADHO CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470892462 931006360 /nfs/dbraw/zinc/00/63/60/931006360.db2.gz RZTUVMVQVCBTHB-SFTDATJTSA-N 1 3 388.600 3.659 20 0 GHADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470898018 931011531 /nfs/dbraw/zinc/01/15/31/931011531.db2.gz PUVYMIZBOBRRBH-VWPQPMDRSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470898018 931011536 /nfs/dbraw/zinc/01/15/36/931011536.db2.gz PUVYMIZBOBRRBH-VWPQPMDRSA-N 1 3 386.584 3.555 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000924948532 931592638 /nfs/dbraw/zinc/59/26/38/931592638.db2.gz DPNPGNWUGMLUIT-ZJSXRUAMSA-N 1 3 380.580 3.651 20 0 GHADHO Cc1nc(CN2CCC(C[NH2+]C3CCN(CCC(C)C)CC3)CC2)oc1C ZINC000925039020 931621413 /nfs/dbraw/zinc/62/14/13/931621413.db2.gz NDNNQSDXIYDSFJ-UHFFFAOYSA-N 1 3 376.589 3.604 20 0 GHADHO CN(CCCN(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)Cc1ccco1 ZINC000557761694 931664697 /nfs/dbraw/zinc/66/46/97/931664697.db2.gz NQLHYWYZJSUXHE-UHFFFAOYSA-N 1 3 398.551 3.539 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)ccc1OC ZINC000784050705 931767109 /nfs/dbraw/zinc/76/71/09/931767109.db2.gz HBVCBZMMKUHPND-SFHVURJKSA-N 1 3 399.583 3.888 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000925557864 931822149 /nfs/dbraw/zinc/82/21/49/931822149.db2.gz QBPGSJMMLDEIDY-WNMCAHLPSA-N 1 3 397.607 3.540 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000926590780 932239082 /nfs/dbraw/zinc/23/90/82/932239082.db2.gz FCUOYPWPLPKBNV-LJQANCHMSA-N 1 3 382.548 3.592 20 0 GHADHO Cc1cccc([C@H](NCC2CC[NH+](C3CCOCC3)CC2)c2ccccn2)c1 ZINC000926679611 932270319 /nfs/dbraw/zinc/27/03/19/932270319.db2.gz YLRUBHFYLVTFIN-DEOSSOPVSA-N 1 3 379.548 3.960 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348943 932607267 /nfs/dbraw/zinc/60/72/67/932607267.db2.gz JKDOPXPBTPXJIF-VWNXMTODSA-N 1 3 394.563 3.501 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348943 932607275 /nfs/dbraw/zinc/60/72/75/932607275.db2.gz JKDOPXPBTPXJIF-VWNXMTODSA-N 1 3 394.563 3.501 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2cccc(CN3CCCC3=O)c2)C[C@H]1c1ccccc1 ZINC000559741436 932829906 /nfs/dbraw/zinc/82/99/06/932829906.db2.gz MEQJIUBGTJOBMQ-GOTSBHOMSA-N 1 3 377.532 3.734 20 0 GHADHO C[N@H+]1CC[C@H](NCc2cccc(CN3CCCC3=O)c2)C[C@H]1c1ccccc1 ZINC000559741436 932829909 /nfs/dbraw/zinc/82/99/09/932829909.db2.gz MEQJIUBGTJOBMQ-GOTSBHOMSA-N 1 3 377.532 3.734 20 0 GHADHO C[N@@H+]1CCCC12CCN(CC1CCN(C(=O)OCc3ccccc3)CC1)CC2 ZINC000799151526 932889625 /nfs/dbraw/zinc/88/96/25/932889625.db2.gz ZMHKMXFYMMYHEE-UHFFFAOYSA-N 1 3 385.552 3.595 20 0 GHADHO C[N@H+]1CCCC12CCN(CC1CCN(C(=O)OCc3ccccc3)CC1)CC2 ZINC000799151526 932889631 /nfs/dbraw/zinc/88/96/31/932889631.db2.gz ZMHKMXFYMMYHEE-UHFFFAOYSA-N 1 3 385.552 3.595 20 0 GHADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799177118 932898019 /nfs/dbraw/zinc/89/80/19/932898019.db2.gz LRJXRIZTQDMSBJ-JOCHJYFZSA-N 1 3 399.579 3.557 20 0 GHADHO CN1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000559849956 932910084 /nfs/dbraw/zinc/91/00/84/932910084.db2.gz XIFWWECGHRBEEW-GOTSBHOMSA-N 1 3 377.532 3.848 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC2)CC1 ZINC000930129644 933846440 /nfs/dbraw/zinc/84/64/40/933846440.db2.gz AIYFCYBVIXNHPK-NHCUHLMSSA-N 1 3 377.523 3.526 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000828457369 935635331 /nfs/dbraw/zinc/63/53/31/935635331.db2.gz PTIXCKXBOULIBX-IBGZPJMESA-N 1 3 388.943 3.544 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000532204666 1014559725 /nfs/dbraw/zinc/55/97/25/1014559725.db2.gz NGPPUKDAPURCGZ-AWEZNQCLSA-N 1 3 379.932 3.672 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070704 1032265736 /nfs/dbraw/zinc/26/57/36/1032265736.db2.gz ALYYWGYXAPEITG-QZTJIDSGSA-N 1 3 392.613 3.693 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070704 1032265744 /nfs/dbraw/zinc/26/57/44/1032265744.db2.gz ALYYWGYXAPEITG-QZTJIDSGSA-N 1 3 392.613 3.693 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H]1CCc2ccccc21 ZINC001227159315 1032299431 /nfs/dbraw/zinc/29/94/31/1032299431.db2.gz DSKVHYMUJJCDHB-QHCPKHFHSA-N 1 3 381.564 3.938 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H](c1cccnc1)C1CC1 ZINC001227163615 1032302140 /nfs/dbraw/zinc/30/21/40/1032302140.db2.gz DTBJCMFHBUPIRC-HSZRJFAPSA-N 1 3 396.579 3.797 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001227865379 1032655584 /nfs/dbraw/zinc/65/55/84/1032655584.db2.gz ZGYCJAWPLCQCPC-UHFFFAOYSA-N 1 3 388.600 3.648 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCC[C@H]2CC(=O)OC(C)(C)C)cc1 ZINC001204271617 1032714930 /nfs/dbraw/zinc/71/49/30/1032714930.db2.gz PIRQFUGFHAFGHU-IBGZPJMESA-N 1 3 376.541 3.713 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCC(NC(=O)CC(C)(C)C)CC2)cc1 ZINC001204271334 1032715028 /nfs/dbraw/zinc/71/50/28/1032715028.db2.gz IYGFYAPFWOUTIF-UHFFFAOYSA-N 1 3 389.584 3.534 20 0 GHADHO CCN(CCN(C)C(=O)OC(C)(C)C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204271369 1032715535 /nfs/dbraw/zinc/71/55/35/1032715535.db2.gz KKJSZONXHALEBU-UHFFFAOYSA-N 1 3 393.572 3.706 20 0 GHADHO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000562772765 1018625123 /nfs/dbraw/zinc/62/51/23/1018625123.db2.gz ZYHIMTLODPDBPB-IBGZPJMESA-N 1 3 378.520 3.714 20 0 GHADHO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000562772765 1018625128 /nfs/dbraw/zinc/62/51/28/1018625128.db2.gz ZYHIMTLODPDBPB-IBGZPJMESA-N 1 3 378.520 3.714 20 0 GHADHO CN(CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961796 1020785193 /nfs/dbraw/zinc/78/51/93/1020785193.db2.gz ILVFVKJOQZCKDC-OXQOHEQNSA-N 1 3 397.485 3.689 20 0 GHADHO CN(CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961796 1020785197 /nfs/dbraw/zinc/78/51/97/1020785197.db2.gz ILVFVKJOQZCKDC-OXQOHEQNSA-N 1 3 397.485 3.689 20 0 GHADHO c1cn(-c2ncccc2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000834508282 1021231769 /nfs/dbraw/zinc/23/17/69/1021231769.db2.gz KQEGERYHSUAFRH-VABKMULXSA-N 1 3 387.531 3.800 20 0 GHADHO COC(=O)Cc1ccccc1C[NH+]1CCC(N(C)Cc2ccc(F)cc2)CC1 ZINC001140653785 1022168881 /nfs/dbraw/zinc/16/88/81/1022168881.db2.gz FCGBYGQPHIJJNX-UHFFFAOYSA-N 1 3 384.495 3.638 20 0 GHADHO [NH3+]Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1 ZINC000830603103 1024013972 /nfs/dbraw/zinc/01/39/72/1024013972.db2.gz HCUZCBMTWMTSHI-UHFFFAOYSA-N 1 3 377.532 3.806 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000831436802 1024562798 /nfs/dbraw/zinc/56/27/98/1024562798.db2.gz LYDUDYIBYQCOPR-LJQANCHMSA-N 1 3 392.975 3.548 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138578568 1025058824 /nfs/dbraw/zinc/05/88/24/1025058824.db2.gz HDCOYZJHDBTJNG-NRFANRHFSA-N 1 3 396.579 3.963 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138578568 1025058827 /nfs/dbraw/zinc/05/88/27/1025058827.db2.gz HDCOYZJHDBTJNG-NRFANRHFSA-N 1 3 396.579 3.963 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138769797 1025338831 /nfs/dbraw/zinc/33/88/31/1025338831.db2.gz IAMYSWSBQIYEOD-LJQANCHMSA-N 1 3 391.556 3.506 20 0 GHADHO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN(C)CCc2cccc(C)c2)c1C ZINC001141573390 1025617406 /nfs/dbraw/zinc/61/74/06/1025617406.db2.gz XBFKKUVQCGOZMC-UHFFFAOYSA-N 1 3 398.595 3.686 20 0 GHADHO CC(C)(C)[C@H](CN1CCOCC1)Nc1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001162879284 1025950307 /nfs/dbraw/zinc/95/03/07/1025950307.db2.gz CWRUCWWCWXMTOG-FQEVSTJZSA-N 1 3 382.552 3.994 20 0 GHADHO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1nc(N2CCCC2)cc2ccccc21 ZINC001162879284 1025950321 /nfs/dbraw/zinc/95/03/21/1025950321.db2.gz CWRUCWWCWXMTOG-FQEVSTJZSA-N 1 3 382.552 3.994 20 0 GHADHO CC(C)[NH+]1CCN(Cc2ccc(N[C@@H]3CNCc4ccsc43)c(F)c2)CC1 ZINC001163239926 1026101168 /nfs/dbraw/zinc/10/11/68/1026101168.db2.gz SXCRTFXQKYSXLK-HXUWFJFHSA-N 1 3 388.556 3.670 20 0 GHADHO COC(=O)c1cc(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cn1C ZINC001139374032 1026246239 /nfs/dbraw/zinc/24/62/39/1026246239.db2.gz XKTWOHTWSJIJFU-UHFFFAOYSA-N 1 3 395.547 3.690 20 0 GHADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163896877 1026353049 /nfs/dbraw/zinc/35/30/49/1026353049.db2.gz GOPBZYCLAJBMSB-UHFFFAOYSA-N 1 3 385.899 3.581 20 0 GHADHO CC(=O)[C@H]1CCC[N@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139512664 1026365771 /nfs/dbraw/zinc/36/57/71/1026365771.db2.gz DUMIZNIYBRNVKO-QHCPKHFHSA-N 1 3 391.559 3.810 20 0 GHADHO CC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139512664 1026365776 /nfs/dbraw/zinc/36/57/76/1026365776.db2.gz DUMIZNIYBRNVKO-QHCPKHFHSA-N 1 3 391.559 3.810 20 0 GHADHO CN(C)C1(CNc2ccc(NC(=O)CCc3ccccc3)cc2)CC[NH+](C)CC1 ZINC001164212875 1026454293 /nfs/dbraw/zinc/45/42/93/1026454293.db2.gz IGHDBOGYROSHQI-UHFFFAOYSA-N 1 3 394.563 3.696 20 0 GHADHO CN(CCN1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1)C(=O)OC(C)(C)C ZINC001202990533 1026779898 /nfs/dbraw/zinc/77/98/98/1026779898.db2.gz DLNXTWHYKGKDRX-LJQANCHMSA-N 1 3 391.556 3.823 20 0 GHADHO CN(CCN1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1)C(=O)OC(C)(C)C ZINC001202990533 1026779910 /nfs/dbraw/zinc/77/99/10/1026779910.db2.gz DLNXTWHYKGKDRX-LJQANCHMSA-N 1 3 391.556 3.823 20 0 GHADHO CN(CC[NH+]1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1)C(=O)OC(C)(C)C ZINC001202990533 1026779923 /nfs/dbraw/zinc/77/99/23/1026779923.db2.gz DLNXTWHYKGKDRX-LJQANCHMSA-N 1 3 391.556 3.823 20 0 GHADHO c1c([C@H]2CNCCO2)cn2c1cccc2NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166911646 1027150764 /nfs/dbraw/zinc/15/07/64/1027150764.db2.gz WZGQGKXTNKTSDB-XZOQPEGZSA-N 1 3 390.531 3.849 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cc(F)ccc2OC)CC1 ZINC001203672321 1027521646 /nfs/dbraw/zinc/52/16/46/1027521646.db2.gz HDADGPFFRIMHMC-UHFFFAOYSA-N 1 3 385.527 3.699 20 0 GHADHO C[NH+](C)CCOCc1ncn2c1CN(Cc1cccc3ccccc31)CCC2 ZINC001203982190 1027779221 /nfs/dbraw/zinc/77/92/21/1027779221.db2.gz OGFPOCSSKNKXNS-UHFFFAOYSA-N 1 3 378.520 3.520 20 0 GHADHO CCCN1CCC([NH2+]C[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000840948815 1027979719 /nfs/dbraw/zinc/97/97/19/1027979719.db2.gz ZYQPPEYECIWMDM-NRFANRHFSA-N 1 3 387.568 3.985 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684153 1029490067 /nfs/dbraw/zinc/49/00/67/1029490067.db2.gz XZCRFXIIQYLUMG-NFBKMPQASA-N 1 3 396.531 3.524 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684153 1029490086 /nfs/dbraw/zinc/49/00/86/1029490086.db2.gz XZCRFXIIQYLUMG-NFBKMPQASA-N 1 3 396.531 3.524 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3nonc31)CC2 ZINC001203130105 1029815095 /nfs/dbraw/zinc/81/50/95/1029815095.db2.gz NKUZYCORCLXEGS-QGZVFWFLSA-N 1 3 398.532 3.540 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cc3cccnc3[nH]1)CC2 ZINC001143215705 1029919236 /nfs/dbraw/zinc/91/92/36/1029919236.db2.gz BUDPVABSCFOKJN-JOCHJYFZSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cc3cccnc3[nH]1)CC2 ZINC001143215705 1029919241 /nfs/dbraw/zinc/91/92/41/1029919241.db2.gz BUDPVABSCFOKJN-JOCHJYFZSA-N 1 3 390.531 3.818 20 0 GHADHO c1[nH]nc2c1cccc2C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222590902 1030218844 /nfs/dbraw/zinc/21/88/44/1030218844.db2.gz OTRWYPGFJTZYEV-JOCHJYFZSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]nc2c1cccc2C[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222590902 1030218857 /nfs/dbraw/zinc/21/88/57/1030218857.db2.gz OTRWYPGFJTZYEV-JOCHJYFZSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]nc2c1cccc2CN1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590902 1030218870 /nfs/dbraw/zinc/21/88/70/1030218870.db2.gz OTRWYPGFJTZYEV-JOCHJYFZSA-N 1 3 390.531 3.866 20 0 GHADHO Clc1ccc(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)cc2)nn1 ZINC001222602637 1030227720 /nfs/dbraw/zinc/22/77/20/1030227720.db2.gz VYRUEDAXRDHWLO-FQEVSTJZSA-N 1 3 390.918 3.986 20 0 GHADHO Clc1ccc(-c2ccc(C[N@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)cc2)nn1 ZINC001222602637 1030227724 /nfs/dbraw/zinc/22/77/24/1030227724.db2.gz VYRUEDAXRDHWLO-FQEVSTJZSA-N 1 3 390.918 3.986 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H]6C[C@H]([NH2+]C)C6)cc54)O[C@H](CN3C1)C2 ZINC001217955604 1030686935 /nfs/dbraw/zinc/68/69/35/1030686935.db2.gz XNAYEMWZJJKSCJ-VHDSIXQDSA-N 1 3 393.531 3.678 20 0 GHADHO O=C(Nc1csc(C(F)(F)F)c1-c1ccccc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218605628 1031001998 /nfs/dbraw/zinc/00/19/98/1031001998.db2.gz UNOSZQVFHRBPLV-FZKQIMNGSA-N 1 3 395.450 3.572 20 0 GHADHO [NH3+][C@@H](CC(=O)Nc1cc([C@@H]2CCCN2)no1)C(c1ccccc1)c1ccccc1 ZINC001218709756 1031043013 /nfs/dbraw/zinc/04/30/13/1031043013.db2.gz AFJULSSOZVXPKK-OALUTQOASA-N 1 3 390.487 3.587 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001224898672 1031169113 /nfs/dbraw/zinc/16/91/13/1031169113.db2.gz KGSCCJHOXPNSOR-KSEOMHKRSA-N 1 3 386.584 3.776 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001224898672 1031169124 /nfs/dbraw/zinc/16/91/24/1031169124.db2.gz KGSCCJHOXPNSOR-KSEOMHKRSA-N 1 3 386.584 3.776 20 0 GHADHO CC[N@H+](CCCC(=O)Nc1cccc2c1CNC2)[C@H](C)Cc1ccc(O)cc1 ZINC001218993933 1031201282 /nfs/dbraw/zinc/20/12/82/1031201282.db2.gz YPZQTZOGFLCVCA-QGZVFWFLSA-N 1 3 381.520 3.667 20 0 GHADHO CC[N@@H+](CCCC(=O)Nc1cccc2c1CNC2)[C@H](C)Cc1ccc(O)cc1 ZINC001218993933 1031201293 /nfs/dbraw/zinc/20/12/93/1031201293.db2.gz YPZQTZOGFLCVCA-QGZVFWFLSA-N 1 3 381.520 3.667 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1c(Cl)cccc1C(=O)C(F)(F)F ZINC001219398412 1031395714 /nfs/dbraw/zinc/39/57/14/1031395714.db2.gz JBRXQNOTSCOXAB-ZDUSSCGKSA-N 1 3 393.837 3.519 20 0 GHADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001219706152 1031566710 /nfs/dbraw/zinc/56/67/10/1031566710.db2.gz XVFWOWUGACOUAC-OAQYLSRUSA-N 1 3 397.950 3.514 20 0 GHADHO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849302 1069790606 /nfs/dbraw/zinc/79/06/06/1069790606.db2.gz HNKDMZNDYYXRDZ-HSALFYBXSA-N 1 3 379.589 3.830 20 0 GHADHO C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CN3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849302 1069790614 /nfs/dbraw/zinc/79/06/14/1069790614.db2.gz HNKDMZNDYYXRDZ-HSALFYBXSA-N 1 3 379.589 3.830 20 0 GHADHO [NH3+][C@@H](CC(=O)N1CCN(CC2CCCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001157579597 1033669279 /nfs/dbraw/zinc/66/92/79/1033669279.db2.gz PDSCMPITHQBMLW-IBGZPJMESA-N 1 3 397.485 3.820 20 0 GHADHO CN(C)Cc1ccc(-c2noc(CC3(c4cccc(F)c4)CC[NH2+]CC3)n2)cc1 ZINC001206087099 1033714476 /nfs/dbraw/zinc/71/44/76/1033714476.db2.gz WQBSXYHSMQUHIM-UHFFFAOYSA-N 1 3 394.494 3.801 20 0 GHADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158251269 1033989098 /nfs/dbraw/zinc/98/90/98/1033989098.db2.gz ZSIXQJFQQOJQLT-BZSNNMDCSA-N 1 3 395.469 3.545 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)CC1 ZINC001206827194 1034010292 /nfs/dbraw/zinc/01/02/92/1034010292.db2.gz JGSRJKFQMCQPON-IBGZPJMESA-N 1 3 391.600 3.878 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001207092306 1034088673 /nfs/dbraw/zinc/08/86/73/1034088673.db2.gz DHSUYSNPFDYGNJ-UGKGYDQZSA-N 1 3 380.532 3.906 20 0 GHADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+](CCOCc1ccccc1)CC2 ZINC001207234164 1034200552 /nfs/dbraw/zinc/20/05/52/1034200552.db2.gz QSYSHELARHIOFU-UHFFFAOYSA-N 1 3 379.548 3.975 20 0 GHADHO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCCC[C@@H]3CCN3CCCC3)(C1)C2 ZINC001207266889 1034221574 /nfs/dbraw/zinc/22/15/74/1034221574.db2.gz PHTDWDJGHRTICS-OSFYOIPJSA-N 1 3 377.573 3.774 20 0 GHADHO CC(C)(C)OC(=O)NC12CC(C[N@H+]3CCCC[C@@H]3CCN3CCCC3)(C1)C2 ZINC001207266889 1034221587 /nfs/dbraw/zinc/22/15/87/1034221587.db2.gz PHTDWDJGHRTICS-OSFYOIPJSA-N 1 3 377.573 3.774 20 0 GHADHO CC(C)(C)OC(=O)NC12CC(CN3CCCC[C@@H]3CC[NH+]3CCCC3)(C1)C2 ZINC001207266889 1034221596 /nfs/dbraw/zinc/22/15/96/1034221596.db2.gz PHTDWDJGHRTICS-OSFYOIPJSA-N 1 3 377.573 3.774 20 0 GHADHO CCCC1(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207838446 1034616417 /nfs/dbraw/zinc/61/64/17/1034616417.db2.gz YLAPCBBBGLJJRU-GUDVDZBRSA-N 1 3 379.589 3.734 20 0 GHADHO Cc1cnc2n1CCC21CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208583323 1034940811 /nfs/dbraw/zinc/94/08/11/1034940811.db2.gz CIERWYASIUIXBV-QFIPXVFZSA-N 1 3 378.564 3.984 20 0 GHADHO Cc1cnc2n1CCC21CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208583323 1034940815 /nfs/dbraw/zinc/94/08/15/1034940815.db2.gz CIERWYASIUIXBV-QFIPXVFZSA-N 1 3 378.564 3.984 20 0 GHADHO C[C@]1(CC(=O)N(Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC001160680555 1035033648 /nfs/dbraw/zinc/03/36/48/1035033648.db2.gz UNQNZAVTGIOYJT-UKILVPOCSA-N 1 3 391.559 3.679 20 0 GHADHO CC(C)(C)OC(=O)c1ccc(CN2CCC(C[NH+]3CCSCC3)CC2)cc1 ZINC001208816919 1035037050 /nfs/dbraw/zinc/03/70/50/1035037050.db2.gz JADGIZNNQLZQMW-UHFFFAOYSA-N 1 3 390.593 3.903 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cc3ncccc3[nH]1)CC2 ZINC001232063378 1035071933 /nfs/dbraw/zinc/07/19/33/1035071933.db2.gz SPALRBCVOONUTJ-GOSISDBHSA-N 1 3 396.560 3.880 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cc3ncccc3[nH]1)CC2 ZINC001232063378 1035071945 /nfs/dbraw/zinc/07/19/45/1035071945.db2.gz SPALRBCVOONUTJ-GOSISDBHSA-N 1 3 396.560 3.880 20 0 GHADHO O=C1CCC2(CCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)N1CC1CC1 ZINC001208933663 1035098770 /nfs/dbraw/zinc/09/87/70/1035098770.db2.gz DUWDRJJUKVHKCP-QHCPKHFHSA-N 1 3 395.591 3.766 20 0 GHADHO O=C1CCC2(CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)N1CC1CC1 ZINC001208933663 1035098778 /nfs/dbraw/zinc/09/87/78/1035098778.db2.gz DUWDRJJUKVHKCP-QHCPKHFHSA-N 1 3 395.591 3.766 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](C[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208941884 1035111176 /nfs/dbraw/zinc/11/11/76/1035111176.db2.gz NNTRRNJXGKVZCW-ZJSXRUAMSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@@H+](C[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208941884 1035111177 /nfs/dbraw/zinc/11/11/77/1035111177.db2.gz NNTRRNJXGKVZCW-ZJSXRUAMSA-N 1 3 399.579 3.984 20 0 GHADHO C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160994678 1035115581 /nfs/dbraw/zinc/11/55/81/1035115581.db2.gz BQJQSZCJDDMIGF-WTIAFYNJSA-N 1 3 397.563 3.713 20 0 GHADHO COC(=O)C[C@H](C)N(Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208958086 1035129578 /nfs/dbraw/zinc/12/95/78/1035129578.db2.gz OAMXWDTWEVOABE-NZQKXSOJSA-N 1 3 380.532 3.962 20 0 GHADHO COC(=O)C[C@H](C)N(Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208958086 1035129584 /nfs/dbraw/zinc/12/95/84/1035129584.db2.gz OAMXWDTWEVOABE-NZQKXSOJSA-N 1 3 380.532 3.962 20 0 GHADHO Cc1ccc(CN(C(=O)[C@@H](N)CCCc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161401903 1035223825 /nfs/dbraw/zinc/22/38/25/1035223825.db2.gz XENADNYVQXXZAA-HJOGWXRNSA-N 1 3 393.575 3.944 20 0 GHADHO Cc1ccc(C[NH+]2C[C@H]3CN(CCCCNC(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001209364351 1035255318 /nfs/dbraw/zinc/25/53/18/1035255318.db2.gz WNNNYZQNYAMIQK-NHCUHLMSSA-N 1 3 387.568 3.664 20 0 GHADHO Cn1nc2ccccc2c1CN1C[C@H]2[C@@H](C1)CCC[C@H]2[N@H+](C)Cc1ccccn1 ZINC001209537898 1035308279 /nfs/dbraw/zinc/30/82/79/1035308279.db2.gz ZCJZOJZMIJEGGW-RZFNWQHOSA-N 1 3 389.547 3.701 20 0 GHADHO Cn1nc2ccccc2c1CN1C[C@H]2[C@@H](C1)CCC[C@H]2[N@@H+](C)Cc1ccccn1 ZINC001209537898 1035308285 /nfs/dbraw/zinc/30/82/85/1035308285.db2.gz ZCJZOJZMIJEGGW-RZFNWQHOSA-N 1 3 389.547 3.701 20 0 GHADHO CCN1CCN(c2ccc(-c3ccc([C@@]45CC[NH2+][C@H]4COCC5)cc3)cc2)CC1 ZINC001241743806 1035669811 /nfs/dbraw/zinc/66/98/11/1035669811.db2.gz QHHPAKGUOPTNHV-DQEYMECFSA-N 1 3 391.559 3.516 20 0 GHADHO Cc1ccc(OC[C@@H](O)CN[C@H](CC2CC[NH2+]CC2)c2ccccc2F)cc1 ZINC001246008465 1037129780 /nfs/dbraw/zinc/12/97/80/1037129780.db2.gz SYOUJXPEFZFTSG-WMZHIEFXSA-N 1 3 386.511 3.594 20 0 GHADHO C[C@H]1C[C@@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246380832 1037338877 /nfs/dbraw/zinc/33/88/77/1037338877.db2.gz KSFRFMSLECFCSV-SIKLNZKXSA-N 1 3 381.539 3.743 20 0 GHADHO Fc1ccc(N2CCC([NH2+]C3(Cc4ccccc4F)CCNCC3)CC2)cc1 ZINC001246381754 1037341518 /nfs/dbraw/zinc/34/15/18/1037341518.db2.gz RXAUKPKZPCAGJH-UHFFFAOYSA-N 1 3 385.502 3.888 20 0 GHADHO Fc1ccc(N2CCC(NC3(Cc4ccccc4F)CC[NH2+]CC3)CC2)cc1 ZINC001246381754 1037341535 /nfs/dbraw/zinc/34/15/35/1037341535.db2.gz RXAUKPKZPCAGJH-UHFFFAOYSA-N 1 3 385.502 3.888 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246385735 1037347118 /nfs/dbraw/zinc/34/71/18/1037347118.db2.gz DHROUHUSFLEHOE-MJGOQNOKSA-N 1 3 378.944 3.716 20 0 GHADHO CCn1c2ccccc2nc1N1CCC([NH2+][C@@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246405277 1037361417 /nfs/dbraw/zinc/36/14/17/1037361417.db2.gz KHWVNEKKLKVIBU-WIYYLYMNSA-N 1 3 383.584 3.781 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)CCN1 ZINC001246407707 1037364049 /nfs/dbraw/zinc/36/40/49/1037364049.db2.gz SNMIHUQRAGMDEB-WOJBJXKFSA-N 1 3 381.568 3.747 20 0 GHADHO CCCCC[C@@H](CCC)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246411352 1037367905 /nfs/dbraw/zinc/36/79/05/1037367905.db2.gz ORRSUFXCDXBIKJ-KXXIFBCNSA-N 1 3 384.605 3.627 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CCN1 ZINC001246416612 1037373519 /nfs/dbraw/zinc/37/35/19/1037373519.db2.gz SIBGARQPZGLTDC-YJBOKZPZSA-N 1 3 381.358 3.519 20 0 GHADHO CCC1([NH2+]C2CCC(C(=O)OC)(c3ccc(Cl)cc3)CC2)CCNCC1 ZINC001246424718 1037383553 /nfs/dbraw/zinc/38/35/53/1037383553.db2.gz SHRDLURRDNGJGG-UHFFFAOYSA-N 1 3 378.944 3.815 20 0 GHADHO CC[C@@]1(CNC2CCC(C(=O)OC)(c3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC001246457723 1037415485 /nfs/dbraw/zinc/41/54/85/1037415485.db2.gz SYCCNKNKDPZIIP-CKHPTIKVSA-N 1 3 378.944 3.815 20 0 GHADHO c1ccc(N2CCC([N@@H+]3CC[C@@]4(c5ccccc5)CCNC[C@@H]4C3)CC2)cc1 ZINC001246673093 1037539380 /nfs/dbraw/zinc/53/93/80/1037539380.db2.gz OAXZKDILSZZFAH-RCZVLFRGSA-N 1 3 375.560 3.909 20 0 GHADHO c1ccc(N2CCC([N@H+]3CC[C@@]4(c5ccccc5)CCNC[C@@H]4C3)CC2)cc1 ZINC001246673093 1037539398 /nfs/dbraw/zinc/53/93/98/1037539398.db2.gz OAXZKDILSZZFAH-RCZVLFRGSA-N 1 3 375.560 3.909 20 0 GHADHO CC(C)CN1Cc2ccccc2CC2(CCN(C3C[C@@H](C)[NH2+][C@H](C)C3)CC2)C1=O ZINC001246747438 1037588955 /nfs/dbraw/zinc/58/89/55/1037588955.db2.gz KGIGMKVKBWNFCW-WOJBJXKFSA-N 1 3 397.607 3.839 20 0 GHADHO CC(C)CN1Cc2ccccc2CC2(CC[NH+](C3C[C@@H](C)N[C@H](C)C3)CC2)C1=O ZINC001246747438 1037588982 /nfs/dbraw/zinc/58/89/82/1037588982.db2.gz KGIGMKVKBWNFCW-WOJBJXKFSA-N 1 3 397.607 3.839 20 0 GHADHO CCCC[C@H]1C[C@H]([N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CCN1 ZINC001246756924 1037599702 /nfs/dbraw/zinc/59/97/02/1037599702.db2.gz UBNJKKLAMWPKPE-MHTWAQMVSA-N 1 3 378.564 3.969 20 0 GHADHO CCCC[C@H]1C[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CCN1 ZINC001246756924 1037599708 /nfs/dbraw/zinc/59/97/08/1037599708.db2.gz UBNJKKLAMWPKPE-MHTWAQMVSA-N 1 3 378.564 3.969 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)CC[NH2+]1 ZINC001246772917 1037615110 /nfs/dbraw/zinc/61/51/10/1037615110.db2.gz BXFQSMHBWTXKFD-NMMYMHLASA-N 1 3 383.580 3.944 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246795709 1037632436 /nfs/dbraw/zinc/63/24/36/1037632436.db2.gz KBZXSPJSBKWCOQ-YOSAUDMPSA-N 1 3 381.564 3.698 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246803760 1037637279 /nfs/dbraw/zinc/63/72/79/1037637279.db2.gz CYMWXIQUNUCBJF-GUDVDZBRSA-N 1 3 380.374 3.706 20 0 GHADHO c1ccc(C[C@H]2C[C@@H](N3CCC4(CC3)OCCc3ccccc34)CC[NH2+]2)cc1 ZINC001246836231 1037666633 /nfs/dbraw/zinc/66/66/33/1037666633.db2.gz NJPGKCMVMCASGD-GOTSBHOMSA-N 1 3 376.544 3.914 20 0 GHADHO c1ccc(C[C@H]2C[C@@H]([NH+]3CCC4(CC3)OCCc3ccccc34)CCN2)cc1 ZINC001246836231 1037666635 /nfs/dbraw/zinc/66/66/35/1037666635.db2.gz NJPGKCMVMCASGD-GOTSBHOMSA-N 1 3 376.544 3.914 20 0 GHADHO O=C(c1ccc(Cl)cc1Cl)N1CCN([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246892039 1037709517 /nfs/dbraw/zinc/70/95/17/1037709517.db2.gz OTZJQSQODSPDMK-UZLBHIALSA-N 1 3 396.362 3.674 20 0 GHADHO O=C1CC[C@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936889 1037741765 /nfs/dbraw/zinc/74/17/65/1037741765.db2.gz KKSIVZWBXSEGCK-GGAORHGYSA-N 1 3 383.580 3.812 20 0 GHADHO O=C1CC[C@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936889 1037741779 /nfs/dbraw/zinc/74/17/79/1037741779.db2.gz KKSIVZWBXSEGCK-GGAORHGYSA-N 1 3 383.580 3.812 20 0 GHADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cnc(-c3ccc(Cl)cc3)s1)C2 ZINC001278472710 1037744019 /nfs/dbraw/zinc/74/40/19/1037744019.db2.gz VCVQJYBTERRKHG-QAPCUYQASA-N 1 3 390.984 3.531 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952452 1037757230 /nfs/dbraw/zinc/75/72/30/1037757230.db2.gz SSNHPJCFGUJTQU-GHTZIAJQSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952452 1037757252 /nfs/dbraw/zinc/75/72/52/1037757252.db2.gz SSNHPJCFGUJTQU-GHTZIAJQSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C1CCC([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246953428 1037760017 /nfs/dbraw/zinc/76/00/17/1037760017.db2.gz BZGBUYMKGOTDGE-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C1CCC([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246953428 1037760036 /nfs/dbraw/zinc/76/00/36/1037760036.db2.gz BZGBUYMKGOTDGE-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@H]1CCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000414 1037824788 /nfs/dbraw/zinc/82/47/88/1037824788.db2.gz MGYDGQOMPLKOJY-LDVJMBRRSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@H]1CC[N@@H+]([C@H]2CCN[C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000414 1037824813 /nfs/dbraw/zinc/82/48/13/1037824813.db2.gz MGYDGQOMPLKOJY-LDVJMBRRSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@H]1CC[N@H+]([C@H]2CCN[C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000414 1037824837 /nfs/dbraw/zinc/82/48/37/1037824837.db2.gz MGYDGQOMPLKOJY-LDVJMBRRSA-N 1 3 378.516 3.586 20 0 GHADHO COc1ccc(OC(C)C)c(CN2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001232387406 1038168315 /nfs/dbraw/zinc/16/83/15/1038168315.db2.gz IXKWMHZEVBZOOV-UHFFFAOYSA-N 1 3 390.568 3.807 20 0 GHADHO CN(C)c1ccc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(F)n1 ZINC001233115875 1038904051 /nfs/dbraw/zinc/90/40/51/1038904051.db2.gz FRPKQRBXYDMGAV-UHFFFAOYSA-N 1 3 397.542 3.558 20 0 GHADHO CN(C)c1ccc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(F)n1 ZINC001233115875 1038904055 /nfs/dbraw/zinc/90/40/55/1038904055.db2.gz FRPKQRBXYDMGAV-UHFFFAOYSA-N 1 3 397.542 3.558 20 0 GHADHO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462339818 1070183440 /nfs/dbraw/zinc/18/34/40/1070183440.db2.gz SFXSVXQERMQCDQ-JVPSVYLMSA-N 1 3 387.543 3.872 20 0 GHADHO OC1(C[NH+]2CCC(OCc3ccccc3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254037972 1039968428 /nfs/dbraw/zinc/96/84/28/1039968428.db2.gz WGMLCZQCPJDRFC-UHFFFAOYSA-N 1 3 394.559 3.695 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](N3CCC([NH3+])(c4ccccc4)CC3)C[C@@H]2C1 ZINC001254898833 1040652847 /nfs/dbraw/zinc/65/28/47/1040652847.db2.gz YKZYRBFDWRHBPX-RUYXUALKSA-N 1 3 385.552 3.582 20 0 GHADHO Brc1cccc2c(CN3CCCC[C@H]3C3CC[NH2+]CC3)[nH]nc21 ZINC001235159915 1040653227 /nfs/dbraw/zinc/65/32/27/1040653227.db2.gz YRSBZXAGRZILFQ-KRWDZBQOSA-N 1 3 377.330 3.680 20 0 GHADHO Cc1cnc(F)c(CN2CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001235330877 1040799881 /nfs/dbraw/zinc/79/98/81/1040799881.db2.gz CVGGVOMIGKDINP-SFHVURJKSA-N 1 3 389.540 3.846 20 0 GHADHO Cc1cnc(F)c(CN2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001235330877 1040799902 /nfs/dbraw/zinc/79/99/02/1040799902.db2.gz CVGGVOMIGKDINP-SFHVURJKSA-N 1 3 389.540 3.846 20 0 GHADHO O=C1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1Cc1ccccc1 ZINC001255125247 1040816922 /nfs/dbraw/zinc/81/69/22/1040816922.db2.gz UQWPSNXBQXQCHC-JLLPCOHGSA-N 1 3 389.543 3.573 20 0 GHADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255146211 1040861412 /nfs/dbraw/zinc/86/14/12/1040861412.db2.gz DMVGDQXFDWDLPK-QASJRYCWSA-N 1 3 382.548 3.846 20 0 GHADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255146211 1040861421 /nfs/dbraw/zinc/86/14/21/1040861421.db2.gz DMVGDQXFDWDLPK-QASJRYCWSA-N 1 3 382.548 3.846 20 0 GHADHO Cc1cnc(O[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)nc1 ZINC001255148831 1040863846 /nfs/dbraw/zinc/86/38/46/1040863846.db2.gz CFGDZRYULWPDKG-KAOXLYBCSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cnc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)nc1 ZINC001255148831 1040863858 /nfs/dbraw/zinc/86/38/58/1040863858.db2.gz CFGDZRYULWPDKG-KAOXLYBCSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cnc(O[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)nc1 ZINC001255148826 1040864353 /nfs/dbraw/zinc/86/43/53/1040864353.db2.gz CFGDZRYULWPDKG-BJESRGMDSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cnc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)nc1 ZINC001255148826 1040864372 /nfs/dbraw/zinc/86/43/72/1040864372.db2.gz CFGDZRYULWPDKG-BJESRGMDSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1ccnc(OC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)n1 ZINC001255149452 1040868382 /nfs/dbraw/zinc/86/83/82/1040868382.db2.gz HRTSZTCEZJLMRR-ZBYYUNFXSA-N 1 3 392.547 3.824 20 0 GHADHO COc1cccnc1O[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150925 1040870883 /nfs/dbraw/zinc/87/08/83/1040870883.db2.gz QCEDPETZIBBEBR-CBPXPLCBSA-N 1 3 393.531 3.739 20 0 GHADHO COc1cccnc1O[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150925 1040870892 /nfs/dbraw/zinc/87/08/92/1040870892.db2.gz QCEDPETZIBBEBR-CBPXPLCBSA-N 1 3 393.531 3.739 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001255196110 1040901276 /nfs/dbraw/zinc/90/12/76/1040901276.db2.gz DYKFMQUJUFBNCP-WKCHPHFGSA-N 1 3 377.573 3.773 20 0 GHADHO COc1ccccc1N(C)c1ccc(CN2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)cc1 ZINC001235398407 1040912044 /nfs/dbraw/zinc/91/20/44/1040912044.db2.gz VNRZSDSQWQQENY-UYAOXDASSA-N 1 3 383.511 3.972 20 0 GHADHO Brc1ccc2oc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433201 1040934891 /nfs/dbraw/zinc/93/48/91/1040934891.db2.gz XUTGIRHEHRRPAC-ZIAGYGMSSA-N 1 3 378.314 3.802 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC[C@H]1F ZINC001255399372 1040984532 /nfs/dbraw/zinc/98/45/32/1040984532.db2.gz QVBXPOHIXNTAEJ-GUDVDZBRSA-N 1 3 388.449 3.768 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC[C@H]1F ZINC001255399372 1040984539 /nfs/dbraw/zinc/98/45/39/1040984539.db2.gz QVBXPOHIXNTAEJ-GUDVDZBRSA-N 1 3 388.449 3.768 20 0 GHADHO CN(CC[N@H+](C)[C@H]1CCCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255399623 1040985641 /nfs/dbraw/zinc/98/56/41/1040985641.db2.gz WMDQLMXPLUPKJI-FQEVSTJZSA-N 1 3 375.557 3.840 20 0 GHADHO CN(CC[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255399623 1040985647 /nfs/dbraw/zinc/98/56/47/1040985647.db2.gz WMDQLMXPLUPKJI-FQEVSTJZSA-N 1 3 375.557 3.840 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CCOC(C)(C)C1)CC2 ZINC001255543576 1041120759 /nfs/dbraw/zinc/12/07/59/1041120759.db2.gz HBOPAOAWUAPJAI-MSOLQXFVSA-N 1 3 378.582 3.761 20 0 GHADHO Clc1ccccc1OC1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001235674481 1041132478 /nfs/dbraw/zinc/13/24/78/1041132478.db2.gz IZTKBWDBLASVLO-UHFFFAOYSA-N 1 3 385.939 3.793 20 0 GHADHO Cn1cc(CN2CCCC23CC[NH+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717033 1041244578 /nfs/dbraw/zinc/24/45/78/1041244578.db2.gz PZWQWXLNAUHZMD-ZWKOTPCHSA-N 1 3 384.490 3.972 20 0 GHADHO COc1cccc(OC)c1CN1CCC([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC001255922708 1041409887 /nfs/dbraw/zinc/40/98/87/1041409887.db2.gz PINUAXMUYIAHHK-LJQANCHMSA-N 1 3 389.584 3.522 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001255939330 1041427842 /nfs/dbraw/zinc/42/78/42/1041427842.db2.gz BSRFTDWXVGLHEV-IYWMVGAKSA-N 1 3 381.605 3.980 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255945927 1041430779 /nfs/dbraw/zinc/43/07/79/1041430779.db2.gz PQWIAXQNMRHGDN-CVEARBPZSA-N 1 3 377.520 3.589 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N1C[C@H](CF)[C@@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001255958720 1041436279 /nfs/dbraw/zinc/43/62/79/1041436279.db2.gz FFGRJXWYYNAZGG-BZSNNMDCSA-N 1 3 385.568 3.682 20 0 GHADHO COc1ccccc1Sc1ccc(CN2CCC[C@@H](N3CC(C[NH3+])C3)C2)cc1 ZINC001236079252 1041524582 /nfs/dbraw/zinc/52/45/82/1041524582.db2.gz MZMMKNSHBOVLBW-HXUWFJFHSA-N 1 3 397.588 3.701 20 0 GHADHO Cc1nnn(-c2ccc(F)cc2)c1CN(Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236232835 1041635221 /nfs/dbraw/zinc/63/52/21/1041635221.db2.gz WSZNZKAWSCKKNN-UHFFFAOYSA-N 1 3 393.510 3.987 20 0 GHADHO [NH3+]C1(Cc2ccccn2)CCN(C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001256303955 1041693290 /nfs/dbraw/zinc/69/32/90/1041693290.db2.gz DSJTYLLXQJVNEQ-UHFFFAOYSA-N 1 3 384.955 3.740 20 0 GHADHO C[C@H](Cc1ccccn1)[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001256413803 1041723295 /nfs/dbraw/zinc/72/32/95/1041723295.db2.gz BSQJJQWMFMQAOF-OFNKIYASSA-N 1 3 379.548 3.768 20 0 GHADHO CC(C)c1cc(Br)cc(CN2CCC([N@@H+]3CC[C@H](N)C3)CC2)c1 ZINC001236622062 1041787419 /nfs/dbraw/zinc/78/74/19/1041787419.db2.gz NKZVOMXCDAGCII-SFHVURJKSA-N 1 3 380.374 3.570 20 0 GHADHO CC(C)c1cc(Br)cc(CN2CCC([N@H+]3CC[C@H](N)C3)CC2)c1 ZINC001236622062 1041787422 /nfs/dbraw/zinc/78/74/22/1041787422.db2.gz NKZVOMXCDAGCII-SFHVURJKSA-N 1 3 380.374 3.570 20 0 GHADHO OCCOc1ccccc1CN1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001237200092 1042089116 /nfs/dbraw/zinc/08/91/16/1042089116.db2.gz WHYUFZXBYQIGEG-UHFFFAOYSA-N 1 3 386.561 3.607 20 0 GHADHO OCCOc1ccccc1CN1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001237200092 1042089124 /nfs/dbraw/zinc/08/91/24/1042089124.db2.gz WHYUFZXBYQIGEG-UHFFFAOYSA-N 1 3 386.561 3.607 20 0 GHADHO CCOC(=O)[C@H]1CN(Cc2ccc(-c3cccc(Cl)c3)o2)CCC12C[NH2+]C2 ZINC001237430735 1042205506 /nfs/dbraw/zinc/20/55/06/1042205506.db2.gz MSCSPOFWVPTINA-GOSISDBHSA-N 1 3 388.895 3.575 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@@H+]3C[C@@H]4C[C@H](C(=O)NC5CCC5)C[C@@H]4C3)cc21 ZINC001237877524 1042405578 /nfs/dbraw/zinc/40/55/78/1042405578.db2.gz ACJLCFZMECJVDN-MZADTFQBSA-N 1 3 393.575 3.815 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@H+]3C[C@@H]4C[C@H](C(=O)NC5CCC5)C[C@@H]4C3)cc21 ZINC001237877524 1042405579 /nfs/dbraw/zinc/40/55/79/1042405579.db2.gz ACJLCFZMECJVDN-MZADTFQBSA-N 1 3 393.575 3.815 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256535013 1043472476 /nfs/dbraw/zinc/47/24/76/1043472476.db2.gz WFVABARANKPKPP-WMZHIEFXSA-N 1 3 380.532 3.935 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256535013 1043472486 /nfs/dbraw/zinc/47/24/86/1043472486.db2.gz WFVABARANKPKPP-WMZHIEFXSA-N 1 3 380.532 3.935 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256535012 1043474225 /nfs/dbraw/zinc/47/42/25/1043474225.db2.gz WFVABARANKPKPP-CVDCTZTESA-N 1 3 380.532 3.935 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256535012 1043474244 /nfs/dbraw/zinc/47/42/44/1043474244.db2.gz WFVABARANKPKPP-CVDCTZTESA-N 1 3 380.532 3.935 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2COc3ccc(Br)cc3C2)CC1 ZINC001256569016 1043542396 /nfs/dbraw/zinc/54/23/96/1043542396.db2.gz NVWDDNLQOUCQCU-CQSZACIVSA-N 1 3 381.358 3.853 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2COc3ccc(Br)cc3C2)CC1 ZINC001256569016 1043542405 /nfs/dbraw/zinc/54/24/05/1043542405.db2.gz NVWDDNLQOUCQCU-CQSZACIVSA-N 1 3 381.358 3.853 20 0 GHADHO COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2C1CCN(Cc2ccncc2)CC1 ZINC001256579801 1043551148 /nfs/dbraw/zinc/55/11/48/1043551148.db2.gz DZCHPLYYRNJNGK-KRWDZBQOSA-N 1 3 378.520 3.772 20 0 GHADHO Brc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256678593 1043616163 /nfs/dbraw/zinc/61/61/63/1043616163.db2.gz YLEOGWATUGVXOD-TVPLGVNVSA-N 1 3 379.342 3.669 20 0 GHADHO C[C@@H](Cc1ccccc1Br)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256684937 1043620783 /nfs/dbraw/zinc/62/07/83/1043620783.db2.gz WBKYVCBJVZOWLX-ZLPCBKJTSA-N 1 3 381.358 3.613 20 0 GHADHO Fc1ccccc1[C@@H](CC1CCOCC1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687144 1043622721 /nfs/dbraw/zinc/62/27/21/1043622721.db2.gz OBYPXIHRGPHHEY-YABDQXBESA-N 1 3 390.543 3.917 20 0 GHADHO Cc1ccc(O[C@@H]2C[C@H]3CN([C@H]4CCC[N@@H+](C5CCCC5)C4)CCN3C2)cc1 ZINC001256918539 1043746304 /nfs/dbraw/zinc/74/63/04/1043746304.db2.gz PSPKGLFCLOPRBT-WPFOTENUSA-N 1 3 383.580 3.539 20 0 GHADHO Cc1ccc(O[C@@H]2C[C@H]3CN([C@H]4CCC[N@H+](C5CCCC5)C4)CCN3C2)cc1 ZINC001256918539 1043746317 /nfs/dbraw/zinc/74/63/17/1043746317.db2.gz PSPKGLFCLOPRBT-WPFOTENUSA-N 1 3 383.580 3.539 20 0 GHADHO Cc1c[nH+]ccc1N1CCN([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001257591008 1044073305 /nfs/dbraw/zinc/07/33/05/1044073305.db2.gz FBXAOIALJJZJHZ-REPLKXPHSA-N 1 3 388.556 3.689 20 0 GHADHO COc1cc(C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H](C)CN)cc(OC)c1OC ZINC001258861511 1044801168 /nfs/dbraw/zinc/80/11/68/1044801168.db2.gz GBWXTTIJJFMTFX-ROUUACIJSA-N 1 3 386.536 3.740 20 0 GHADHO COc1cc(C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H](C)CN)cc(OC)c1OC ZINC001258861511 1044801184 /nfs/dbraw/zinc/80/11/84/1044801184.db2.gz GBWXTTIJJFMTFX-ROUUACIJSA-N 1 3 386.536 3.740 20 0 GHADHO COc1cc(C[C@H](C)N[C@@H](CC[NH+](C)C)c2ccccc2)cc(OC)c1OC ZINC001258864166 1044804241 /nfs/dbraw/zinc/80/42/41/1044804241.db2.gz ZARYQTKCRVULQS-PXNSSMCTSA-N 1 3 386.536 3.926 20 0 GHADHO CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001296065638 1045240688 /nfs/dbraw/zinc/24/06/88/1045240688.db2.gz MUMLCESWRGMAGQ-FYYLOGMGSA-N 1 3 383.580 3.764 20 0 GHADHO CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001296065638 1045240702 /nfs/dbraw/zinc/24/07/02/1045240702.db2.gz MUMLCESWRGMAGQ-FYYLOGMGSA-N 1 3 383.580 3.764 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483778135 1045329277 /nfs/dbraw/zinc/32/92/77/1045329277.db2.gz UVWXJOXUOWDBSY-HSZRJFAPSA-N 1 3 398.595 3.747 20 0 GHADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)C[C@@H]3CCCCN3Cc3ccccc3)C[N@@H+]2C1 ZINC001303171509 1047302393 /nfs/dbraw/zinc/30/23/93/1047302393.db2.gz VTUKUBGEKNNRON-LGKPFJOYSA-N 1 3 383.580 3.620 20 0 GHADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)C[C@@H]3CCCCN3Cc3ccccc3)C[N@H+]2C1 ZINC001303171509 1047302403 /nfs/dbraw/zinc/30/24/03/1047302403.db2.gz VTUKUBGEKNNRON-LGKPFJOYSA-N 1 3 383.580 3.620 20 0 GHADHO CS[C@@H](C)CC[NH+]1CCC2(CN(Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC001279485833 1047822027 /nfs/dbraw/zinc/82/20/27/1047822027.db2.gz JQMNPKZACKFSOI-KRWDZBQOSA-N 1 3 375.582 3.684 20 0 GHADHO Cc1cc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc(C)c1I ZINC001280184391 1048121343 /nfs/dbraw/zinc/12/13/43/1048121343.db2.gz GTGXMVCPZZJMAS-CALCHBBNSA-N 1 3 398.332 3.682 20 0 GHADHO Cc1cc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc(C)c1I ZINC001280184391 1048121350 /nfs/dbraw/zinc/12/13/50/1048121350.db2.gz GTGXMVCPZZJMAS-CALCHBBNSA-N 1 3 398.332 3.682 20 0 GHADHO CCCC(=O)NC[C@@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001307445748 1049281567 /nfs/dbraw/zinc/28/15/67/1049281567.db2.gz IDVNGWUQLMGFNU-DEOSSOPVSA-N 1 3 399.623 3.960 20 0 GHADHO CCCC(=O)NC[C@@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001307445748 1049281576 /nfs/dbraw/zinc/28/15/76/1049281576.db2.gz IDVNGWUQLMGFNU-DEOSSOPVSA-N 1 3 399.623 3.960 20 0 GHADHO CN(C)c1ccc(F)cc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC001308207147 1049912487 /nfs/dbraw/zinc/91/24/87/1049912487.db2.gz CXBDAORUQZOTSR-UHFFFAOYSA-N 1 3 398.570 3.579 20 0 GHADHO CN1CCC(O)(C[NH2+]Cc2ccccc2Oc2ccc(F)c(Cl)c2)CC1 ZINC001308282485 1049936486 /nfs/dbraw/zinc/93/64/86/1049936486.db2.gz PUSQKHJHOFXZSG-UHFFFAOYSA-N 1 3 378.875 3.818 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC001308384751 1049963680 /nfs/dbraw/zinc/96/36/80/1049963680.db2.gz WLKYQCACDRJYFV-DEOSSOPVSA-N 1 3 381.564 3.659 20 0 GHADHO CC(C)(C)[C@]1(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001308693417 1050061568 /nfs/dbraw/zinc/06/15/68/1050061568.db2.gz TWXBHTBSYURXBA-SEDAZVQISA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001308693417 1050061575 /nfs/dbraw/zinc/06/15/75/1050061575.db2.gz TWXBHTBSYURXBA-SEDAZVQISA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CCN(Cc2ccccc2)C1 ZINC001308693417 1050061576 /nfs/dbraw/zinc/06/15/76/1050061576.db2.gz TWXBHTBSYURXBA-SEDAZVQISA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CCN(Cc2ccccc2)C1 ZINC001308693417 1050061584 /nfs/dbraw/zinc/06/15/84/1050061584.db2.gz TWXBHTBSYURXBA-SEDAZVQISA-N 1 3 383.580 3.511 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001332097944 1051458431 /nfs/dbraw/zinc/45/84/31/1051458431.db2.gz VUYJRLBSZYMWJH-UHFFFAOYSA-N 1 3 385.552 3.934 20 0 GHADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC001311571302 1052254222 /nfs/dbraw/zinc/25/42/22/1052254222.db2.gz KHKOWALOZUXLKR-OALUTQOASA-N 1 3 392.613 3.647 20 0 GHADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC001311571302 1052254225 /nfs/dbraw/zinc/25/42/25/1052254225.db2.gz KHKOWALOZUXLKR-OALUTQOASA-N 1 3 392.613 3.647 20 0 GHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC001311956295 1052500550 /nfs/dbraw/zinc/50/05/50/1052500550.db2.gz ULVUCDRDAUPWOA-LJQANCHMSA-N 1 3 392.588 3.644 20 0 GHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC001311956295 1052500554 /nfs/dbraw/zinc/50/05/54/1052500554.db2.gz ULVUCDRDAUPWOA-LJQANCHMSA-N 1 3 392.588 3.644 20 0 GHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC001311956294 1052501039 /nfs/dbraw/zinc/50/10/39/1052501039.db2.gz ULVUCDRDAUPWOA-IBGZPJMESA-N 1 3 392.588 3.644 20 0 GHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC001311956294 1052501048 /nfs/dbraw/zinc/50/10/48/1052501048.db2.gz ULVUCDRDAUPWOA-IBGZPJMESA-N 1 3 392.588 3.644 20 0 GHADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001312659627 1052829025 /nfs/dbraw/zinc/82/90/25/1052829025.db2.gz KOWPNNVXEYUHEB-PZJWPPBQSA-N 1 3 388.600 3.750 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)c2)CC1 ZINC001321370064 1056237240 /nfs/dbraw/zinc/23/72/40/1056237240.db2.gz JRVKMVWIQOIRFZ-LADGPHEKSA-N 1 3 378.564 3.645 20 0 GHADHO CC(C)(C)OC(=O)Nc1cccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC001200623098 1056513779 /nfs/dbraw/zinc/51/37/79/1056513779.db2.gz VPZIACHOPLRZJB-GOSISDBHSA-N 1 3 389.540 3.624 20 0 GHADHO CN(C)CCC[N@H+](C)CCNc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC001472828172 1056922560 /nfs/dbraw/zinc/92/25/60/1056922560.db2.gz CFXIXIYARAUBHY-UHFFFAOYSA-N 1 3 387.597 3.743 20 0 GHADHO CN(C)CCC[N@@H+](C)CCNc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC001472828172 1056922563 /nfs/dbraw/zinc/92/25/63/1056922563.db2.gz CFXIXIYARAUBHY-UHFFFAOYSA-N 1 3 387.597 3.743 20 0 GHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCc3ccccc3N3CCN(C)CC3)CC2)C1 ZINC001340530666 1059966142 /nfs/dbraw/zinc/96/61/42/1059966142.db2.gz YZQMERDCGJYPTN-REWPJTCUSA-N 1 3 384.612 3.571 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001453209059 1061092104 /nfs/dbraw/zinc/09/21/04/1061092104.db2.gz GOOQVMPHPUQNJP-FUHWJXTLSA-N 1 3 393.641 3.901 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001453209059 1061092115 /nfs/dbraw/zinc/09/21/15/1061092115.db2.gz GOOQVMPHPUQNJP-FUHWJXTLSA-N 1 3 393.641 3.901 20 0 GHADHO CCCCOc1ccc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001200046158 1065066965 /nfs/dbraw/zinc/06/69/65/1065066965.db2.gz JZJMAFFXYBTYJL-UHFFFAOYSA-N 1 3 381.564 3.903 20 0 GHADHO Clc1ccc2ncc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)n2c1 ZINC001200449720 1066258917 /nfs/dbraw/zinc/25/89/17/1066258917.db2.gz FMFKMECHXVEFHG-UHFFFAOYSA-N 1 3 384.911 3.752 20 0 GHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001477597830 1078483942 /nfs/dbraw/zinc/48/39/42/1078483942.db2.gz GECKENGHQQSMAA-LPHOPBHVSA-N 1 3 394.991 3.752 20 0 GHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001477597830 1078483945 /nfs/dbraw/zinc/48/39/45/1078483945.db2.gz GECKENGHQQSMAA-LPHOPBHVSA-N 1 3 394.991 3.752 20 0 GHADHO C[C@H](NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC001467297813 1067208017 /nfs/dbraw/zinc/20/80/17/1067208017.db2.gz BBSOSMPSFLXUDQ-NKKJXINNSA-N 1 3 393.575 3.749 20 0 GHADHO C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC001467297813 1067208027 /nfs/dbraw/zinc/20/80/27/1067208027.db2.gz BBSOSMPSFLXUDQ-NKKJXINNSA-N 1 3 393.575 3.749 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC001477673322 1078520072 /nfs/dbraw/zinc/52/00/72/1078520072.db2.gz DKAUJESZSGKXDZ-JTHBVZDNSA-N 1 3 398.595 3.553 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC001477673322 1078520076 /nfs/dbraw/zinc/52/00/76/1078520076.db2.gz DKAUJESZSGKXDZ-JTHBVZDNSA-N 1 3 398.595 3.553 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)CC(C)C ZINC001467951156 1067542847 /nfs/dbraw/zinc/54/28/47/1067542847.db2.gz VMTCZLXOTMSQNJ-HJNYFJLDSA-N 1 3 388.600 3.563 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)N(C)C)cc1 ZINC001477786860 1078565602 /nfs/dbraw/zinc/56/56/02/1078565602.db2.gz GTCQVRJAJNVVCI-FKBYEOEOSA-N 1 3 388.600 3.660 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)N(C)C)cc1 ZINC001468351147 1067698866 /nfs/dbraw/zinc/69/88/66/1067698866.db2.gz MTYHPSOOWGDYFT-FGZHOGPDSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)N(C)C)cc1 ZINC001468351147 1067698869 /nfs/dbraw/zinc/69/88/69/1067698869.db2.gz MTYHPSOOWGDYFT-FGZHOGPDSA-N 1 3 386.584 3.694 20 0 GHADHO [NH2+]=C(NCc1cc(C2CC2)ccc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000849113171 1067734639 /nfs/dbraw/zinc/73/46/39/1067734639.db2.gz KJQQSWFXWKPNRJ-UHFFFAOYSA-N 1 3 380.511 3.982 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001468872996 1067914468 /nfs/dbraw/zinc/91/44/68/1067914468.db2.gz KBNLXNXDDJBMIS-VSKRKVRLSA-N 1 3 384.568 3.530 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001468872996 1067914473 /nfs/dbraw/zinc/91/44/73/1067914473.db2.gz KBNLXNXDDJBMIS-VSKRKVRLSA-N 1 3 384.568 3.530 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001468978403 1067942827 /nfs/dbraw/zinc/94/28/27/1067942827.db2.gz TVOOFBFDSFYECB-HKUYNNGSSA-N 1 3 392.613 3.647 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001468978403 1067942833 /nfs/dbraw/zinc/94/28/33/1067942833.db2.gz TVOOFBFDSFYECB-HKUYNNGSSA-N 1 3 392.613 3.647 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC001470773823 1072729786 /nfs/dbraw/zinc/72/97/86/1072729786.db2.gz YXZRNUYJQKSZTR-SFHVURJKSA-N 1 3 384.568 3.646 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC001470773823 1072729793 /nfs/dbraw/zinc/72/97/93/1072729793.db2.gz YXZRNUYJQKSZTR-SFHVURJKSA-N 1 3 384.568 3.646 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1)c1ccccc1 ZINC001473111496 1073785933 /nfs/dbraw/zinc/78/59/33/1073785933.db2.gz HHODWNTYLKIZCG-PKTZIBPZSA-N 1 3 379.548 3.503 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1CCc1ccccc1)c1ccccc1 ZINC001473111496 1073785935 /nfs/dbraw/zinc/78/59/35/1073785935.db2.gz HHODWNTYLKIZCG-PKTZIBPZSA-N 1 3 379.548 3.503 20 0 GHADHO COC(=O)[C@@H]1CCCC[C@H]1CN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719501 1074106342 /nfs/dbraw/zinc/10/63/42/1074106342.db2.gz XJJTYYQJGNVABA-SGKWCMOWSA-N 1 3 384.564 3.810 20 0 GHADHO COC(=O)[C@@H]1CCCC[C@H]1CN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719501 1074106348 /nfs/dbraw/zinc/10/63/48/1074106348.db2.gz XJJTYYQJGNVABA-SGKWCMOWSA-N 1 3 384.564 3.810 20 0 GHADHO CC(C)CN(CC(=O)Nc1nc(-c2ccco2)cs1)CC1CC[NH+](C)CC1 ZINC001473738956 1074117414 /nfs/dbraw/zinc/11/74/14/1074117414.db2.gz DGJKFHHYBKINDW-UHFFFAOYSA-N 1 3 390.553 3.641 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C3CCCC3)C2)CC1 ZINC001473886710 1074191362 /nfs/dbraw/zinc/19/13/62/1074191362.db2.gz HMTSUVIDKYCIQY-XMMPIXPASA-N 1 3 397.607 3.932 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H](C3CCCC3)C2)CC1 ZINC001473886710 1074191365 /nfs/dbraw/zinc/19/13/65/1074191365.db2.gz HMTSUVIDKYCIQY-XMMPIXPASA-N 1 3 397.607 3.932 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3ccc(-n4cncn4)c(F)c3)cc2)C1 ZINC001473931529 1074208744 /nfs/dbraw/zinc/20/87/44/1074208744.db2.gz LHPFNBOKURACMQ-GOSISDBHSA-N 1 3 393.510 3.928 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc(-n4cncn4)c(F)c3)cc2)C1 ZINC001473931529 1074208751 /nfs/dbraw/zinc/20/87/51/1074208751.db2.gz LHPFNBOKURACMQ-GOSISDBHSA-N 1 3 393.510 3.928 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001474355461 1074360680 /nfs/dbraw/zinc/36/06/80/1074360680.db2.gz JYXWADMYLYDCAT-ISKFKSNPSA-N 1 3 395.595 3.929 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001474355461 1074360686 /nfs/dbraw/zinc/36/06/86/1074360686.db2.gz JYXWADMYLYDCAT-ISKFKSNPSA-N 1 3 395.595 3.929 20 0 GHADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506058 1074437806 /nfs/dbraw/zinc/43/78/06/1074437806.db2.gz ZUZANMZAFVSJHX-IRLDBZIGSA-N 1 3 399.579 3.896 20 0 GHADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506058 1074437811 /nfs/dbraw/zinc/43/78/11/1074437811.db2.gz ZUZANMZAFVSJHX-IRLDBZIGSA-N 1 3 399.579 3.896 20 0 GHADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506058 1074437816 /nfs/dbraw/zinc/43/78/16/1074437816.db2.gz ZUZANMZAFVSJHX-IRLDBZIGSA-N 1 3 399.579 3.896 20 0 GHADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506058 1074437820 /nfs/dbraw/zinc/43/78/20/1074437820.db2.gz ZUZANMZAFVSJHX-IRLDBZIGSA-N 1 3 399.579 3.896 20 0 GHADHO Cc1ccc([C@@H](C)CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001474515689 1074443396 /nfs/dbraw/zinc/44/33/96/1074443396.db2.gz YKBJYVQXCMLULH-DHLKQENFSA-N 1 3 377.576 3.991 20 0 GHADHO Cc1ccc([C@@H](C)CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001474515689 1074443401 /nfs/dbraw/zinc/44/34/01/1074443401.db2.gz YKBJYVQXCMLULH-DHLKQENFSA-N 1 3 377.576 3.991 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCc3ncc(Br)n3C2)CC1 ZINC001474748171 1074544370 /nfs/dbraw/zinc/54/43/70/1074544370.db2.gz NOLGBABWFOAFLA-HYVNUMGLSA-N 1 3 395.389 3.593 20 0 GHADHO C[C@@H](NC(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001546208492 1075069263 /nfs/dbraw/zinc/06/92/63/1075069263.db2.gz PQGZXONOGLYSBJ-NQIIRXRSSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@@H](NC(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001546208492 1075069266 /nfs/dbraw/zinc/06/92/66/1075069266.db2.gz PQGZXONOGLYSBJ-NQIIRXRSSA-N 1 3 390.531 3.931 20 0 GHADHO COc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079446 837403865 /nfs/dbraw/zinc/40/38/65/837403865.db2.gz CFQORBBIPQEWRK-GHTZIAJQSA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079446 837403871 /nfs/dbraw/zinc/40/38/71/837403871.db2.gz CFQORBBIPQEWRK-GHTZIAJQSA-N 1 3 395.547 3.552 20 0 GHADHO CC1CCN([C@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c2cccs2)CC1 ZINC000655684665 837667857 /nfs/dbraw/zinc/66/78/57/837667857.db2.gz UJLQJAJSCWKQCM-NHCUHLMSSA-N 1 3 391.625 3.754 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423381879 837725286 /nfs/dbraw/zinc/72/52/86/837725286.db2.gz ZZJQDKFBOYJISW-RAIGVLPGSA-N 1 3 377.838 3.935 20 0 GHADHO C[C@H]1C[C@@H](NCCc2nnc(-c3ccccc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000090659944 834618623 /nfs/dbraw/zinc/61/86/23/834618623.db2.gz VIAHQUPOVJDPNI-RXVVDRJESA-N 1 3 376.504 3.922 20 0 GHADHO C[C@H]1C[C@@H](NCCc2nnc(-c3ccccc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000090659944 834618629 /nfs/dbraw/zinc/61/86/29/834618629.db2.gz VIAHQUPOVJDPNI-RXVVDRJESA-N 1 3 376.504 3.922 20 0 GHADHO Cc1ccc(CN2CCSCC2)cc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655744953 837803946 /nfs/dbraw/zinc/80/39/46/837803946.db2.gz YHGLLUVQKXCJGV-NRFANRHFSA-N 1 3 389.609 3.599 20 0 GHADHO C[C@@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511286080 834994850 /nfs/dbraw/zinc/99/48/50/834994850.db2.gz LCEHQYDZHMVXIE-QHCGNWPDSA-N 1 3 390.616 3.545 20 0 GHADHO C[C@@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511286080 834994862 /nfs/dbraw/zinc/99/48/62/834994862.db2.gz LCEHQYDZHMVXIE-QHCGNWPDSA-N 1 3 390.616 3.545 20 0 GHADHO CCc1ccc(-c2ccc(CN3CCC(C[NH+]4CCN(C)CC4)CC3)o2)cc1 ZINC000583839766 835127405 /nfs/dbraw/zinc/12/74/05/835127405.db2.gz XBMUQHMUCCHZQC-UHFFFAOYSA-N 1 3 381.564 3.968 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](CCn3ccc4cc(Cl)ccc43)CC2)CC1 ZINC000685570063 835183190 /nfs/dbraw/zinc/18/31/90/835183190.db2.gz GUKRAQLVXCXVGY-UHFFFAOYSA-N 1 3 388.987 3.785 20 0 GHADHO O=c1[nH]c2ccccc2n1CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000685606104 835218251 /nfs/dbraw/zinc/21/82/51/835218251.db2.gz NJHFEXIDLBTHOP-RTWAWAEBSA-N 1 3 390.531 3.586 20 0 GHADHO O=c1[nH]c2ccccc2n1CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000685606104 835218255 /nfs/dbraw/zinc/21/82/55/835218255.db2.gz NJHFEXIDLBTHOP-RTWAWAEBSA-N 1 3 390.531 3.586 20 0 GHADHO COc1cc2ccc([C@@H](C)[NH2+]CCN3CCN(C)C(C)(C)C3)cc2cc1OC ZINC000658003935 835369040 /nfs/dbraw/zinc/36/90/40/835369040.db2.gz WAIPCERZQBCMMB-QGZVFWFLSA-N 1 3 385.552 3.534 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCCS2 ZINC000658142583 835454090 /nfs/dbraw/zinc/45/40/90/835454090.db2.gz YOYWOPNNEPNSAY-UGKGYDQZSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCS2 ZINC000658142583 835454093 /nfs/dbraw/zinc/45/40/93/835454093.db2.gz YOYWOPNNEPNSAY-UGKGYDQZSA-N 1 3 398.572 3.979 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000658164169 835480018 /nfs/dbraw/zinc/48/00/18/835480018.db2.gz CCLPIMKBRHHJTR-QGZVFWFLSA-N 1 3 378.520 3.529 20 0 GHADHO COCCc1nc(C)c([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000658165774 835481145 /nfs/dbraw/zinc/48/11/45/835481145.db2.gz LSGQWWLHDFKNJR-MRXNPFEDSA-N 1 3 388.581 3.598 20 0 GHADHO Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)CC2)nc(C)n1 ZINC000274897761 835787325 /nfs/dbraw/zinc/78/73/25/835787325.db2.gz KQDGDKKMEYSGHU-DENIHFKCSA-N 1 3 393.579 3.562 20 0 GHADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(CN(C)C)c1 ZINC000151860584 835948937 /nfs/dbraw/zinc/94/89/37/835948937.db2.gz PXUYDIABEPDULB-JOCHJYFZSA-N 1 3 395.547 3.581 20 0 GHADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(CN(C)C)c1 ZINC000151860584 835948941 /nfs/dbraw/zinc/94/89/41/835948941.db2.gz PXUYDIABEPDULB-JOCHJYFZSA-N 1 3 395.547 3.581 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000247080457 836752133 /nfs/dbraw/zinc/75/21/33/836752133.db2.gz NIEYJGXDFPGSQW-IRLDBZIGSA-N 1 3 383.511 3.764 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000247080457 836752140 /nfs/dbraw/zinc/75/21/40/836752140.db2.gz NIEYJGXDFPGSQW-IRLDBZIGSA-N 1 3 383.511 3.764 20 0 GHADHO C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000414308950 837027081 /nfs/dbraw/zinc/02/70/81/837027081.db2.gz QVWWQRWGWYECCA-OAHLLOKOSA-N 1 3 378.438 3.782 20 0 GHADHO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2c(c1)CNC2 ZINC000659021451 837272880 /nfs/dbraw/zinc/27/28/80/837272880.db2.gz DSMLRVFACGQIBQ-NRFANRHFSA-N 1 3 390.531 3.714 20 0 GHADHO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2c(c1)CNC2 ZINC000659021451 837272889 /nfs/dbraw/zinc/27/28/89/837272889.db2.gz DSMLRVFACGQIBQ-NRFANRHFSA-N 1 3 390.531 3.714 20 0 GHADHO CC1CC[NH+](C[C@H]2CCCN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000659863078 837878323 /nfs/dbraw/zinc/87/83/23/837878323.db2.gz GDZSOFYNOPOVRM-RTWAWAEBSA-N 1 3 377.617 3.715 20 0 GHADHO C[C@H](C(=O)N1CCCCCC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535677048 844283196 /nfs/dbraw/zinc/28/31/96/844283196.db2.gz RZUSCAZNLZQXCR-OAQYLSRUSA-N 1 3 383.580 3.766 20 0 GHADHO C[C@H](C(=O)N1CCCCCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535677048 844283201 /nfs/dbraw/zinc/28/32/01/844283201.db2.gz RZUSCAZNLZQXCR-OAQYLSRUSA-N 1 3 383.580 3.766 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000415938204 838290295 /nfs/dbraw/zinc/29/02/95/838290295.db2.gz ALILAIKSWVNXJN-UHFFFAOYSA-N 1 3 390.478 3.670 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000415941238 838293357 /nfs/dbraw/zinc/29/33/57/838293357.db2.gz FUNDKXOKSLIUTO-OAQYLSRUSA-N 1 3 380.536 3.924 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000580118544 838903229 /nfs/dbraw/zinc/90/32/29/838903229.db2.gz GSMDQWVGVYFFMA-WOJBJXKFSA-N 1 3 375.582 3.534 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000580118544 838903235 /nfs/dbraw/zinc/90/32/35/838903235.db2.gz GSMDQWVGVYFFMA-WOJBJXKFSA-N 1 3 375.582 3.534 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000312141159 838918181 /nfs/dbraw/zinc/91/81/81/838918181.db2.gz FKJASUFWCUNMCW-UAFMIMERSA-N 1 3 379.589 3.875 20 0 GHADHO C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)C[C@@H](C)O1 ZINC000614385826 844393506 /nfs/dbraw/zinc/39/35/06/844393506.db2.gz KDXKELASCMMFFE-QZTJIDSGSA-N 1 3 376.504 3.529 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCCC[NH2+]C1CC1 ZINC000415067740 839157115 /nfs/dbraw/zinc/15/71/15/839157115.db2.gz LIZGIIDKVTUABM-LLVKDONJSA-N 1 3 377.838 3.808 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000125738007 839649329 /nfs/dbraw/zinc/64/93/29/839649329.db2.gz BYYSQZMOLQYDNW-JKSUJKDBSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000125738007 839649340 /nfs/dbraw/zinc/64/93/40/839649340.db2.gz BYYSQZMOLQYDNW-JKSUJKDBSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000125738007 839649348 /nfs/dbraw/zinc/64/93/48/839649348.db2.gz BYYSQZMOLQYDNW-JKSUJKDBSA-N 1 3 396.373 3.876 20 0 GHADHO C[C@H](CC[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)N1CCCCC1 ZINC000471598331 839862010 /nfs/dbraw/zinc/86/20/10/839862010.db2.gz VUEIVUFPQJSLBG-RBUKOAKNSA-N 1 3 385.552 3.696 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000418499518 840333994 /nfs/dbraw/zinc/33/39/94/840333994.db2.gz YDXOBHKIKOATQO-RTBURBONSA-N 1 3 380.536 3.512 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ccsc1 ZINC000417005968 840362028 /nfs/dbraw/zinc/36/20/28/840362028.db2.gz JFVWLYGQIOSZJH-RBUKOAKNSA-N 1 3 392.613 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417012586 840367604 /nfs/dbraw/zinc/36/76/04/840367604.db2.gz XIUGNODSKFMXIH-DFQSSKMNSA-N 1 3 392.613 3.695 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000500139314 841511392 /nfs/dbraw/zinc/51/13/92/841511392.db2.gz MXVBRVKODPQKGA-JOCHJYFZSA-N 1 3 382.552 3.631 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccc(Cl)cc1 ZINC000418188321 841623640 /nfs/dbraw/zinc/62/36/40/841623640.db2.gz UCLZUZSURPCCHE-FQEVSTJZSA-N 1 3 394.991 3.754 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccccc4)C3(C)C)CC2)CC1 ZINC000581558425 841664008 /nfs/dbraw/zinc/66/40/08/841664008.db2.gz PQMZZCNDKONOML-QHCPKHFHSA-N 1 3 397.607 3.977 20 0 GHADHO CC(C)Cc1ccc([C@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000581565513 841682149 /nfs/dbraw/zinc/68/21/49/841682149.db2.gz SPFJTNNDTLGQRD-DEOSSOPVSA-N 1 3 383.580 3.669 20 0 GHADHO CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2ccc(N(C)C(C)C)nc2)cc1 ZINC000656790037 841924621 /nfs/dbraw/zinc/92/46/21/841924621.db2.gz GSKWCXONUGZDCE-VXKWHMMOSA-N 1 3 382.552 3.560 20 0 GHADHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)ccc1OC(F)F ZINC000178035459 861297059 /nfs/dbraw/zinc/29/70/59/861297059.db2.gz YSAWHNRFPOARNW-OAGGEKHMSA-N 1 3 386.483 3.837 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000178038058 861297436 /nfs/dbraw/zinc/29/74/36/861297436.db2.gz SSPXSMPLSJFFPA-RTBURBONSA-N 1 3 394.003 3.783 20 0 GHADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413106 842413860 /nfs/dbraw/zinc/41/38/60/842413860.db2.gz KGBURROUGMXPJM-BEFAXECRSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413106 842413866 /nfs/dbraw/zinc/41/38/66/842413866.db2.gz KGBURROUGMXPJM-BEFAXECRSA-N 1 3 381.358 3.917 20 0 GHADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246826641 842647802 /nfs/dbraw/zinc/64/78/02/842647802.db2.gz BKCTVKKASHSEDS-CABCVRRESA-N 1 3 387.446 3.624 20 0 GHADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246826641 842647812 /nfs/dbraw/zinc/64/78/12/842647812.db2.gz BKCTVKKASHSEDS-CABCVRRESA-N 1 3 387.446 3.624 20 0 GHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246826641 842647815 /nfs/dbraw/zinc/64/78/15/842647815.db2.gz BKCTVKKASHSEDS-CABCVRRESA-N 1 3 387.446 3.624 20 0 GHADHO CCN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000663768646 843130881 /nfs/dbraw/zinc/13/08/81/843130881.db2.gz NQYCIJPVMRBYRG-JOCHJYFZSA-N 1 3 386.584 3.687 20 0 GHADHO CCN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000663768646 843130891 /nfs/dbraw/zinc/13/08/91/843130891.db2.gz NQYCIJPVMRBYRG-JOCHJYFZSA-N 1 3 386.584 3.687 20 0 GHADHO CN(C)C(=O)c1cccc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471876837 843168337 /nfs/dbraw/zinc/16/83/37/843168337.db2.gz ZHBJSAJDQLQZPL-PKTZIBPZSA-N 1 3 379.548 3.561 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccsc1 ZINC000662383870 843182322 /nfs/dbraw/zinc/18/23/22/843182322.db2.gz HPSLHQLVBCLCQM-NQIIRXRSSA-N 1 3 385.577 3.940 20 0 GHADHO O=C(c1cccc2c1C[NH2+]C2)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000662477534 843312778 /nfs/dbraw/zinc/31/27/78/843312778.db2.gz NEJCRDLOEOEIIS-UHFFFAOYSA-N 1 3 389.543 3.951 20 0 GHADHO CCCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418770409 843618348 /nfs/dbraw/zinc/61/83/48/843618348.db2.gz OICNXBPCVNCBBK-VXKWHMMOSA-N 1 3 386.584 3.605 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)c3ccc(F)cc3F)CC2)CC1 ZINC000899647625 861440783 /nfs/dbraw/zinc/44/07/83/861440783.db2.gz WCZXODUFNYOMBI-UHFFFAOYSA-N 1 3 393.522 3.512 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(C[C@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477939 843958129 /nfs/dbraw/zinc/95/81/29/843958129.db2.gz AQPAFYZHVJIMCT-JYFHCDHNSA-N 1 3 389.587 3.684 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C[C@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477939 843958135 /nfs/dbraw/zinc/95/81/35/843958135.db2.gz AQPAFYZHVJIMCT-JYFHCDHNSA-N 1 3 389.587 3.684 20 0 GHADHO CN(CCNC(=O)C1CC[NH+]([C@H]2C=CCCCCC2)CC1)Cc1ccccc1 ZINC000549866436 844732905 /nfs/dbraw/zinc/73/29/05/844732905.db2.gz VZUMCLXJYXISRG-QHCPKHFHSA-N 1 3 383.580 3.836 20 0 GHADHO O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512647357 844890609 /nfs/dbraw/zinc/89/06/09/844890609.db2.gz HPFWUNBWXXKUKP-XPWALMASSA-N 1 3 383.580 3.669 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)N1CCCCCC1 ZINC000512666131 844959441 /nfs/dbraw/zinc/95/94/41/844959441.db2.gz IZNJOYWLMDZGKV-YTFSRNRJSA-N 1 3 383.580 3.669 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)NCc1ccccc1 ZINC000512668287 844972583 /nfs/dbraw/zinc/97/25/83/844972583.db2.gz UISQLGWLMRJEOA-TZRRMPRUSA-N 1 3 391.559 3.583 20 0 GHADHO Cc1c([C@@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)nnn1-c1ccc(F)cc1 ZINC000179469268 861592634 /nfs/dbraw/zinc/59/26/34/861592634.db2.gz QZQHIGCBFAMWOH-MRXNPFEDSA-N 1 3 394.498 3.677 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373264 845657017 /nfs/dbraw/zinc/65/70/17/845657017.db2.gz OPFCBRHPDFQBPP-XLIONFOSSA-N 1 3 389.337 3.594 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373264 845657023 /nfs/dbraw/zinc/65/70/23/845657023.db2.gz OPFCBRHPDFQBPP-XLIONFOSSA-N 1 3 389.337 3.594 20 0 GHADHO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001167529343 846076418 /nfs/dbraw/zinc/07/64/18/846076418.db2.gz JEXMWKCQDQWAKY-OFNKIYASSA-N 1 3 385.596 3.773 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cc4c(cccc4C)[nH]3)cc2)CC1 ZINC000657313582 846090278 /nfs/dbraw/zinc/09/02/78/846090278.db2.gz UHYMCDZMWWZTPN-UHFFFAOYSA-N 1 3 376.548 3.904 20 0 GHADHO OCCOc1ccc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513655049 846197260 /nfs/dbraw/zinc/19/72/60/846197260.db2.gz KRZVFTXDCYGPSA-QLBJFCOMSA-N 1 3 394.559 3.838 20 0 GHADHO OCCOc1ccc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513655049 846197265 /nfs/dbraw/zinc/19/72/65/846197265.db2.gz KRZVFTXDCYGPSA-QLBJFCOMSA-N 1 3 394.559 3.838 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000673768067 861681941 /nfs/dbraw/zinc/68/19/41/861681941.db2.gz VXRNIWSILNLNQM-SFHVURJKSA-N 1 3 386.584 3.602 20 0 GHADHO CC1CC[NH+](C2CCC(NC(=O)N3CCN(C4CCCCC4)CC3)CC2)CC1 ZINC000502829792 846523815 /nfs/dbraw/zinc/52/38/15/846523815.db2.gz NUUKLZZCPREVHD-UHFFFAOYSA-N 1 3 390.616 3.689 20 0 GHADHO CCn1c(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)nc2cc(F)ccc21 ZINC000501039754 846586134 /nfs/dbraw/zinc/58/61/34/846586134.db2.gz NFBZYDNTWGDOMC-UHFFFAOYSA-N 1 3 381.499 3.939 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC(C[NH+](CC)CC)CC1)c1ccsc1 ZINC000501167765 846706758 /nfs/dbraw/zinc/70/67/58/846706758.db2.gz WFSDLIAMDKNBGS-FQEVSTJZSA-N 1 3 394.629 3.894 20 0 GHADHO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000414428487 846831299 /nfs/dbraw/zinc/83/12/99/846831299.db2.gz BHNQPRHJVIBANE-HXUWFJFHSA-N 1 3 378.495 3.932 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000604079743 861723383 /nfs/dbraw/zinc/72/33/83/861723383.db2.gz AWYIOXHPDGIRHB-QFIPXVFZSA-N 1 3 386.584 3.606 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3ccc4c(c3)oc(=O)n4C)cc2)C1 ZINC000509944771 846874297 /nfs/dbraw/zinc/87/42/97/846874297.db2.gz QOCLEFYWWBINJE-ROUUACIJSA-N 1 3 393.531 3.899 20 0 GHADHO COc1ccc([C@H](C[NH3+])CN(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000420322864 847102793 /nfs/dbraw/zinc/10/27/93/847102793.db2.gz SOFXMRUTTSEKJD-HXUWFJFHSA-N 1 3 378.520 3.692 20 0 GHADHO C[C@H](NCc1cccc(CN2CCCC2=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562524 847111118 /nfs/dbraw/zinc/11/11/18/847111118.db2.gz GYYJJWOTWNNJKM-GBXCKJPGSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H](NCc1cccc(CN2CCCC2=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562524 847111128 /nfs/dbraw/zinc/11/11/28/847111128.db2.gz GYYJJWOTWNNJKM-GBXCKJPGSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272562524 847111136 /nfs/dbraw/zinc/11/11/36/847111136.db2.gz GYYJJWOTWNNJKM-GBXCKJPGSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000501800075 847200335 /nfs/dbraw/zinc/20/03/35/847200335.db2.gz JCDAKNVVEKSLJW-OALUTQOASA-N 1 3 392.613 3.695 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000272905243 847204299 /nfs/dbraw/zinc/20/42/99/847204299.db2.gz QIWAFSHOTNHKMP-YLJYHZDGSA-N 1 3 393.597 3.687 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000272933317 847211122 /nfs/dbraw/zinc/21/11/22/847211122.db2.gz ZWSKQTYZEOEOGS-XMSQKQJNSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000272933317 847211135 /nfs/dbraw/zinc/21/11/35/847211135.db2.gz ZWSKQTYZEOEOGS-XMSQKQJNSA-N 1 3 379.504 3.643 20 0 GHADHO C[N@H+](Cc1ccccc1CNC(=O)[C@H](N)Cc1ccccc1)C1CCCCC1 ZINC000237152562 847477162 /nfs/dbraw/zinc/47/71/62/847477162.db2.gz SVVDVAIMRALAGV-HSZRJFAPSA-N 1 3 379.548 3.637 20 0 GHADHO C[N@@H+](Cc1ccccc1CNC(=O)[C@H](N)Cc1ccccc1)C1CCCCC1 ZINC000237152562 847477167 /nfs/dbraw/zinc/47/71/67/847477167.db2.gz SVVDVAIMRALAGV-HSZRJFAPSA-N 1 3 379.548 3.637 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422733143 847787670 /nfs/dbraw/zinc/78/76/70/847787670.db2.gz QPYZKGCUKCBSRU-XAUMDUMWSA-N 1 3 393.453 3.712 20 0 GHADHO c1ccc([C@H](CN2CCCC2)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800265 847828984 /nfs/dbraw/zinc/82/89/84/847828984.db2.gz AZXXTNTYQZCFQE-WPFOTENUSA-N 1 3 377.532 3.669 20 0 GHADHO Cc1cc([C@H](C)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)nn1C ZINC000502387681 847834296 /nfs/dbraw/zinc/83/42/96/847834296.db2.gz BYEWAYIULMUHKU-BJLQDIEVSA-N 1 3 384.568 3.588 20 0 GHADHO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CCOCC1 ZINC000422899107 847877905 /nfs/dbraw/zinc/87/79/05/847877905.db2.gz NUQIJCKSEFFDIJ-KRWDZBQOSA-N 1 3 383.536 3.565 20 0 GHADHO C[C@@H]1CCCCN1Cc1ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)nc1 ZINC001167945158 847904804 /nfs/dbraw/zinc/90/48/04/847904804.db2.gz UUPXLOJDDWPFLN-MJGOQNOKSA-N 1 3 390.572 3.707 20 0 GHADHO c1ccc([C@H](C[C@@H]2CCOC2)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423007912 847935259 /nfs/dbraw/zinc/93/52/59/847935259.db2.gz ZBRZIFALEGJAJF-YZZIRNTPSA-N 1 3 378.516 4.000 20 0 GHADHO c1ccc(COc2cccc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000423033246 847947758 /nfs/dbraw/zinc/94/77/58/847947758.db2.gz ZIFCVJUULXAWLI-RBZQAINGSA-N 1 3 380.532 3.555 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596181 848289943 /nfs/dbraw/zinc/28/99/43/848289943.db2.gz MAUTVPLUYNMXCB-XJKSGUPXSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596181 848289952 /nfs/dbraw/zinc/28/99/52/848289952.db2.gz MAUTVPLUYNMXCB-XJKSGUPXSA-N 1 3 395.366 3.928 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cc(Cl)cc4cccnc43)cc2)C1 ZINC000657595815 848292238 /nfs/dbraw/zinc/29/22/38/848292238.db2.gz KIJAYRHEDUCSRA-OAQYLSRUSA-N 1 3 381.907 3.745 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cc(Cl)cc4cccnc43)cc2)C1 ZINC000657595815 848292243 /nfs/dbraw/zinc/29/22/43/848292243.db2.gz KIJAYRHEDUCSRA-OAQYLSRUSA-N 1 3 381.907 3.745 20 0 GHADHO Cn1c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)nc2cc(Cl)ccc21 ZINC000657613526 848326014 /nfs/dbraw/zinc/32/60/14/848326014.db2.gz MMZOXZXEFVYXNE-UHFFFAOYSA-N 1 3 383.927 3.624 20 0 GHADHO Fc1ccccc1-c1n[nH]cc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612944 848327754 /nfs/dbraw/zinc/32/77/54/848327754.db2.gz GJTQFUIRFMMPEA-UHFFFAOYSA-N 1 3 379.483 3.613 20 0 GHADHO CC1(C)CC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000604156066 861900629 /nfs/dbraw/zinc/90/06/29/861900629.db2.gz APJDPBJPOSFEHB-FQEVSTJZSA-N 1 3 386.584 3.822 20 0 GHADHO COC(=O)C1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000192442163 861953854 /nfs/dbraw/zinc/95/38/54/861953854.db2.gz POAGORWTILPQLN-UHFFFAOYSA-N 1 3 378.944 3.873 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)N2CCCC2)cc1 ZINC000535974362 849432549 /nfs/dbraw/zinc/43/25/49/849432549.db2.gz LABPQSPLPWSPQG-GOTSBHOMSA-N 1 3 398.595 3.505 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000155338997 849506668 /nfs/dbraw/zinc/50/66/68/849506668.db2.gz FPSMMMYTIZSXQO-RTBURBONSA-N 1 3 390.597 3.545 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000423213527 849795033 /nfs/dbraw/zinc/79/50/33/849795033.db2.gz NKNGYIOWWFFENS-NEPJUHHUSA-N 1 3 377.838 3.665 20 0 GHADHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475027218 862089198 /nfs/dbraw/zinc/08/91/98/862089198.db2.gz GJGAFBQCBYTRKH-GOTSBHOMSA-N 1 3 394.563 3.595 20 0 GHADHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475027218 862089215 /nfs/dbraw/zinc/08/92/15/862089215.db2.gz GJGAFBQCBYTRKH-GOTSBHOMSA-N 1 3 394.563 3.595 20 0 GHADHO C[N@@H+]1CCCC[C@H]1CCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486818280 850139857 /nfs/dbraw/zinc/13/98/57/850139857.db2.gz BGHGWXPKXQRLQJ-ZRCGQRJVSA-N 1 3 380.536 3.965 20 0 GHADHO C[N@H+]1CCCC[C@H]1CCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486818280 850139862 /nfs/dbraw/zinc/13/98/62/850139862.db2.gz BGHGWXPKXQRLQJ-ZRCGQRJVSA-N 1 3 380.536 3.965 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000664372841 850144166 /nfs/dbraw/zinc/14/41/66/850144166.db2.gz BBOQGZXDZDYRCZ-JOCHJYFZSA-N 1 3 380.536 3.529 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000664372841 850144171 /nfs/dbraw/zinc/14/41/71/850144171.db2.gz BBOQGZXDZDYRCZ-JOCHJYFZSA-N 1 3 380.536 3.529 20 0 GHADHO Cc1ccc([C@@H](NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c2cccs2)cc1 ZINC000424283125 850353900 /nfs/dbraw/zinc/35/39/00/850353900.db2.gz ATBSEQCYPZVLRD-XMSQKQJNSA-N 1 3 397.588 3.726 20 0 GHADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C[C@@H]21 ZINC000435383802 850448252 /nfs/dbraw/zinc/44/82/52/850448252.db2.gz KCNZRDKYDMHFQP-AKIFATBCSA-N 1 3 387.531 3.553 20 0 GHADHO [NH3+]C[C@H]1CN(Cc2cccc(OCCCc3ccccc3)c2)CC12CCOCC2 ZINC000515176410 850758503 /nfs/dbraw/zinc/75/85/03/850758503.db2.gz NFAULNKPVNRJIU-QHCPKHFHSA-N 1 3 394.559 3.886 20 0 GHADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425006453 850845950 /nfs/dbraw/zinc/84/59/50/850845950.db2.gz MHNAKMQQCRFJTE-BJKOFHAPSA-N 1 3 389.543 3.629 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)CC1 ZINC000604426112 862197782 /nfs/dbraw/zinc/19/77/82/862197782.db2.gz CGCHYABJJKMMKS-UHFFFAOYSA-N 1 3 398.595 3.688 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN2C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374134 851122482 /nfs/dbraw/zinc/12/24/82/851122482.db2.gz WPGXJQFROASVRT-JOCHJYFZSA-N 1 3 377.573 3.726 20 0 GHADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1)N1CCCC1 ZINC000436295113 851430735 /nfs/dbraw/zinc/43/07/35/851430735.db2.gz RBBUTDWNGGWJCU-LYCSZFELSA-N 1 3 395.591 3.668 20 0 GHADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1)N1CCCC1 ZINC000436295115 851430951 /nfs/dbraw/zinc/43/09/51/851430951.db2.gz RBBUTDWNGGWJCU-URYYLNOGSA-N 1 3 395.591 3.668 20 0 GHADHO COCCOc1ccccc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000515929899 851954154 /nfs/dbraw/zinc/95/41/54/851954154.db2.gz NYZMHVJXYNIUJF-GGAORHGYSA-N 1 3 380.532 3.666 20 0 GHADHO COCCOc1ccccc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000515929899 851954160 /nfs/dbraw/zinc/95/41/60/851954160.db2.gz NYZMHVJXYNIUJF-GGAORHGYSA-N 1 3 380.532 3.666 20 0 GHADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CN(C)C ZINC000425944563 852000529 /nfs/dbraw/zinc/00/05/29/852000529.db2.gz XPLIKYNADIHLOZ-VXGBXAGGSA-N 1 3 379.854 3.863 20 0 GHADHO C[C@H](CN[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C[NH+](C)C ZINC000425944563 852000534 /nfs/dbraw/zinc/00/05/34/852000534.db2.gz XPLIKYNADIHLOZ-VXGBXAGGSA-N 1 3 379.854 3.863 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000536261124 852258128 /nfs/dbraw/zinc/25/81/28/852258128.db2.gz ALSRTUUCDFCGEM-PKTZIBPZSA-N 1 3 377.532 3.846 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000536261124 852258136 /nfs/dbraw/zinc/25/81/36/852258136.db2.gz ALSRTUUCDFCGEM-PKTZIBPZSA-N 1 3 377.532 3.846 20 0 GHADHO C[C@H](Nc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516268740 852366393 /nfs/dbraw/zinc/36/63/93/852366393.db2.gz QZTNJPWUUCPVKE-XUZZJYLKSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@H](Nc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268740 852366403 /nfs/dbraw/zinc/36/64/03/852366403.db2.gz QZTNJPWUUCPVKE-XUZZJYLKSA-N 1 3 392.591 3.757 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(C)([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167961371 852467001 /nfs/dbraw/zinc/46/70/01/852467001.db2.gz JGRLJGUVARSTNO-YQQQUEKLSA-N 1 3 377.573 3.771 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598791 852781330 /nfs/dbraw/zinc/78/13/30/852781330.db2.gz HYVNMHDSEDRKEM-TZRRMPRUSA-N 1 3 397.607 3.541 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)c3cccc(Cl)c3)CC2)CC1 ZINC000516660931 852831830 /nfs/dbraw/zinc/83/18/30/852831830.db2.gz HVGBBZDILSGZNZ-UHFFFAOYSA-N 1 3 391.987 3.888 20 0 GHADHO Brc1csc(CN2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506014275 852967963 /nfs/dbraw/zinc/96/79/63/852967963.db2.gz ZDDMXYQNHFFMCL-UHFFFAOYSA-N 1 3 387.387 3.835 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000516921644 853159308 /nfs/dbraw/zinc/15/93/08/853159308.db2.gz CKPFSUHLODMGSU-DEOSSOPVSA-N 1 3 396.575 3.864 20 0 GHADHO C[C@@H]1C[C@H](N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC[N@@H+]1C ZINC000426317668 853433672 /nfs/dbraw/zinc/43/36/72/853433672.db2.gz FRFJADRHQZURIL-UGTJMOTHSA-N 1 3 384.495 3.649 20 0 GHADHO C[C@@H]1C[C@H](N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000426317668 853433678 /nfs/dbraw/zinc/43/36/78/853433678.db2.gz FRFJADRHQZURIL-UGTJMOTHSA-N 1 3 384.495 3.649 20 0 GHADHO C[C@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000518543605 853480741 /nfs/dbraw/zinc/48/07/41/853480741.db2.gz OGIOCOCIJDDOPU-LEEZEASISA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000518543605 853480748 /nfs/dbraw/zinc/48/07/48/853480748.db2.gz OGIOCOCIJDDOPU-LEEZEASISA-N 1 3 398.595 3.603 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168377749 853680143 /nfs/dbraw/zinc/68/01/43/853680143.db2.gz HDWUQSOETKCWPW-UGKGYDQZSA-N 1 3 395.563 3.532 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168377749 853680148 /nfs/dbraw/zinc/68/01/48/853680148.db2.gz HDWUQSOETKCWPW-UGKGYDQZSA-N 1 3 395.563 3.532 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000571641869 853973009 /nfs/dbraw/zinc/97/30/09/853973009.db2.gz ALJZHEFRHASBIH-UZLBHIALSA-N 1 3 383.517 3.885 20 0 GHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000588642126 854323422 /nfs/dbraw/zinc/32/34/22/854323422.db2.gz YRZQTTOGMTUPJQ-QUCCMNQESA-N 1 3 389.559 3.664 20 0 GHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000588642126 854323427 /nfs/dbraw/zinc/32/34/27/854323427.db2.gz YRZQTTOGMTUPJQ-QUCCMNQESA-N 1 3 389.559 3.664 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3Nc3ccccc3)CC2)CC1 ZINC000050800685 854359322 /nfs/dbraw/zinc/35/93/22/854359322.db2.gz OUBQYILOOCYWFZ-UHFFFAOYSA-N 1 3 392.547 3.719 20 0 GHADHO CSc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000458890269 854467492 /nfs/dbraw/zinc/46/74/92/854467492.db2.gz JXRXIDDTQSFDLY-ICSRJNTNSA-N 1 3 392.613 3.527 20 0 GHADHO CSc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000458890269 854467500 /nfs/dbraw/zinc/46/75/00/854467500.db2.gz JXRXIDDTQSFDLY-ICSRJNTNSA-N 1 3 392.613 3.527 20 0 GHADHO OC1(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CCCCC1 ZINC000732916035 862588559 /nfs/dbraw/zinc/58/85/59/862588559.db2.gz NFTJYOZMGLPGQU-UHFFFAOYSA-N 1 3 393.575 3.794 20 0 GHADHO CC(C)NC(=O)c1ccccc1OC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168387808 854741553 /nfs/dbraw/zinc/74/15/53/854741553.db2.gz UYQCEAASQYEKME-UHFFFAOYSA-N 1 3 399.579 3.542 20 0 GHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000624101911 862652281 /nfs/dbraw/zinc/65/22/81/862652281.db2.gz FHGIKVNSJITDMZ-PKOBYXMFSA-N 1 3 388.543 3.576 20 0 GHADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465719488 855684802 /nfs/dbraw/zinc/68/48/02/855684802.db2.gz NLZWJANCSMPUNM-FCHUYYIVSA-N 1 3 386.584 3.585 20 0 GHADHO C[C@H](CN1CCCCC1)NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591430748 855974927 /nfs/dbraw/zinc/97/49/27/855974927.db2.gz RTYUDWJVGNGTRM-WOJBJXKFSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@H](CN1CCCCC1)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591430748 855974936 /nfs/dbraw/zinc/97/49/36/855974936.db2.gz RTYUDWJVGNGTRM-WOJBJXKFSA-N 1 3 387.568 3.544 20 0 GHADHO CSCc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000921712343 855981721 /nfs/dbraw/zinc/98/17/21/855981721.db2.gz QOCXYKKDGZQQIO-JOCHJYFZSA-N 1 3 397.588 3.537 20 0 GHADHO CSCc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000921712343 855981729 /nfs/dbraw/zinc/98/17/29/855981729.db2.gz QOCXYKKDGZQQIO-JOCHJYFZSA-N 1 3 397.588 3.537 20 0 GHADHO CN(CCOC(c1ccccc1)c1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000536452518 856090052 /nfs/dbraw/zinc/09/00/52/856090052.db2.gz CHLMIOSDUMBNEO-UHFFFAOYSA-N 1 3 395.591 3.750 20 0 GHADHO CN(CCOC(c1ccccc1)c1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000536452518 856090061 /nfs/dbraw/zinc/09/00/61/856090061.db2.gz CHLMIOSDUMBNEO-UHFFFAOYSA-N 1 3 395.591 3.750 20 0 GHADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000700809967 856196676 /nfs/dbraw/zinc/19/66/76/856196676.db2.gz XNYXLKOAWSUSDL-WTGUMLROSA-N 1 3 379.589 3.876 20 0 GHADHO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)cc1 ZINC000157556560 856451451 /nfs/dbraw/zinc/45/14/51/856451451.db2.gz JGJQTJFHSOEEAQ-UHFFFAOYSA-N 1 3 386.540 3.950 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)s1 ZINC000181409417 862866575 /nfs/dbraw/zinc/86/65/75/862866575.db2.gz IXNMDXMIJKYECO-CFVMTHIKSA-N 1 3 387.387 3.929 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000077512665 857569877 /nfs/dbraw/zinc/56/98/77/857569877.db2.gz UZOIPNUFODWWHH-LJQANCHMSA-N 1 3 380.536 3.877 20 0 GHADHO C[C@@H](N[C@H](Cc1nccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000675921653 857666158 /nfs/dbraw/zinc/66/61/58/857666158.db2.gz MQERUKZGCRMRMR-AUSIDOKSSA-N 1 3 392.547 3.995 20 0 GHADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000190994420 857785739 /nfs/dbraw/zinc/78/57/39/857785739.db2.gz IVDKOCUOVNQPDG-UHFFFAOYSA-N 1 3 393.453 3.595 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)N(C)C)cc1 ZINC000065466950 857800931 /nfs/dbraw/zinc/80/09/31/857800931.db2.gz JKBZOQAPKPXCMT-QHCPKHFHSA-N 1 3 394.563 3.693 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCN1Cc1ccccc1 ZINC000466025128 857880464 /nfs/dbraw/zinc/88/04/64/857880464.db2.gz GFEKUJACAZTITJ-TZIWHRDSSA-N 1 3 388.600 3.659 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)c2cccs2)CC1 ZINC000668644762 857920876 /nfs/dbraw/zinc/92/08/76/857920876.db2.gz VFJIGRHVWCFPAN-HXUWFJFHSA-N 1 3 398.576 3.624 20 0 GHADHO CCCCOc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000442892509 858213768 /nfs/dbraw/zinc/21/37/68/858213768.db2.gz VHIGOOPRFHYLKI-SFHVURJKSA-N 1 3 377.573 3.551 20 0 GHADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000443064451 858332582 /nfs/dbraw/zinc/33/25/82/858332582.db2.gz YGHPRUCLHAKOEX-JTSKRJEESA-N 1 3 385.939 3.606 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000595065279 858368075 /nfs/dbraw/zinc/36/80/75/858368075.db2.gz CJQBSDJOFBZUJI-QHCPKHFHSA-N 1 3 393.531 3.747 20 0 GHADHO C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(C)Cc1ccccc1 ZINC000522076287 858596443 /nfs/dbraw/zinc/59/64/43/858596443.db2.gz JNBIUKYGGVVLED-HXUWFJFHSA-N 1 3 394.563 3.602 20 0 GHADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000183352646 858725782 /nfs/dbraw/zinc/72/57/82/858725782.db2.gz LLGPBSCCISGTSD-RUZDIDTESA-N 1 3 395.591 3.998 20 0 GHADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccccc1C[N@H+](C)C(C)C ZINC000183352646 858725790 /nfs/dbraw/zinc/72/57/90/858725790.db2.gz LLGPBSCCISGTSD-RUZDIDTESA-N 1 3 395.591 3.998 20 0 GHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000183555886 858771412 /nfs/dbraw/zinc/77/14/12/858771412.db2.gz FOAXWPUYJUSDOE-DEOSSOPVSA-N 1 3 381.564 3.610 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000183555886 858771417 /nfs/dbraw/zinc/77/14/17/858771417.db2.gz FOAXWPUYJUSDOE-DEOSSOPVSA-N 1 3 381.564 3.610 20 0 GHADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000429688630 859008508 /nfs/dbraw/zinc/00/85/08/859008508.db2.gz CPOXMLXUOVEZII-JWQCQUIFSA-N 1 3 399.623 3.866 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000116536275 859021195 /nfs/dbraw/zinc/02/11/95/859021195.db2.gz ZKEHFYCEVJCHNX-HXUWFJFHSA-N 1 3 394.563 3.643 20 0 GHADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccc(F)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023416 859097226 /nfs/dbraw/zinc/09/72/26/859097226.db2.gz WGLPJZGFUODAHF-OPMZPASUSA-N 1 3 383.511 3.587 20 0 GHADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccc(F)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023416 859097232 /nfs/dbraw/zinc/09/72/32/859097232.db2.gz WGLPJZGFUODAHF-OPMZPASUSA-N 1 3 383.511 3.587 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@H]2CCC[C@H]21 ZINC000671743458 859448404 /nfs/dbraw/zinc/44/84/04/859448404.db2.gz NKKVFGAGRUNXMA-FGTMMUONSA-N 1 3 378.442 3.854 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@H]2CCC[C@H]21 ZINC000671743458 859448409 /nfs/dbraw/zinc/44/84/09/859448409.db2.gz NKKVFGAGRUNXMA-FGTMMUONSA-N 1 3 378.442 3.854 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000543394042 859542836 /nfs/dbraw/zinc/54/28/36/859542836.db2.gz MZBVSGKOBMZABE-HZPDHXFCSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000543394042 859542843 /nfs/dbraw/zinc/54/28/43/859542843.db2.gz MZBVSGKOBMZABE-HZPDHXFCSA-N 1 3 381.948 3.920 20 0 GHADHO C[C@@H]1CC(NC[C@@H]2CN(c3ccccc3)CCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168029526 859559333 /nfs/dbraw/zinc/55/93/33/859559333.db2.gz SWGHOTUNEROIFW-DNRQZRRGSA-N 1 3 393.575 3.923 20 0 GHADHO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000483955929 859711092 /nfs/dbraw/zinc/71/10/92/859711092.db2.gz FIIHTDLQISZSTN-SFTDATJTSA-N 1 3 396.579 3.892 20 0 GHADHO CCc1oc2ccccc2c1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000123875112 860126136 /nfs/dbraw/zinc/12/61/36/860126136.db2.gz XCGIAWJXYYZQLQ-UHFFFAOYSA-N 1 3 379.504 3.576 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000568605541 860234160 /nfs/dbraw/zinc/23/41/60/860234160.db2.gz QVHHEXAALQRIJG-CTNGQTDRSA-N 1 3 388.943 3.552 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000532269943 881641380 /nfs/dbraw/zinc/64/13/80/881641380.db2.gz IJQKNKRTLKBKFG-RBUKOAKNSA-N 1 3 397.346 3.737 20 0 GHADHO C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000482618042 863388878 /nfs/dbraw/zinc/38/88/78/863388878.db2.gz FPLFWLDODREZFJ-FQEVSTJZSA-N 1 3 397.607 3.853 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000606622011 863740738 /nfs/dbraw/zinc/74/07/38/863740738.db2.gz OJXLCVQOELUBMK-JOCHJYFZSA-N 1 3 386.584 3.512 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000606622011 863740739 /nfs/dbraw/zinc/74/07/39/863740739.db2.gz OJXLCVQOELUBMK-JOCHJYFZSA-N 1 3 386.584 3.512 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000606704173 863769782 /nfs/dbraw/zinc/76/97/82/863769782.db2.gz QLGSVPVIUHWUAV-PKTZIBPZSA-N 1 3 398.595 3.557 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000606704173 863769790 /nfs/dbraw/zinc/76/97/90/863769790.db2.gz QLGSVPVIUHWUAV-PKTZIBPZSA-N 1 3 398.595 3.557 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606690726 863782143 /nfs/dbraw/zinc/78/21/43/863782143.db2.gz KMEYPDRURCRUMS-DHIUTWEWSA-N 1 3 398.595 3.874 20 0 GHADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1Oc1ccccc1 ZINC000480327243 864504383 /nfs/dbraw/zinc/50/43/83/864504383.db2.gz LMGVCVKKFSNDFV-SMIHKQSGSA-N 1 3 380.532 3.866 20 0 GHADHO CCCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000164484580 864617321 /nfs/dbraw/zinc/61/73/21/864617321.db2.gz NCBHMGGFGKVDNJ-HNNXBMFYSA-N 1 3 381.948 3.920 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@@H](C)C1 ZINC000480471973 864715491 /nfs/dbraw/zinc/71/54/91/864715491.db2.gz QPTIMKKQSISPSJ-YADARESESA-N 1 3 398.595 3.775 20 0 GHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000480617623 864975139 /nfs/dbraw/zinc/97/51/39/864975139.db2.gz YTYHGTMVIQJEGZ-AUSIDOKSSA-N 1 3 395.547 3.914 20 0 GHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000480617623 864975148 /nfs/dbraw/zinc/97/51/48/864975148.db2.gz YTYHGTMVIQJEGZ-AUSIDOKSSA-N 1 3 395.547 3.914 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001170423339 881834722 /nfs/dbraw/zinc/83/47/22/881834722.db2.gz DDSUNSNGWAYXOM-HXUWFJFHSA-N 1 3 381.520 3.633 20 0 GHADHO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CCC2 ZINC000480914009 865498179 /nfs/dbraw/zinc/49/81/79/865498179.db2.gz UDJOZUCYRLSRJO-DEOSSOPVSA-N 1 3 379.548 3.610 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187414 865952975 /nfs/dbraw/zinc/95/29/75/865952975.db2.gz JIUUBVNPWUFVNB-MBSDFSHPSA-N 1 3 377.532 3.614 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)N2CCCC2)cc1 ZINC000667829799 865959834 /nfs/dbraw/zinc/95/98/34/865959834.db2.gz IOBKNXQHRPKDMC-OAQYLSRUSA-N 1 3 396.510 3.738 20 0 GHADHO CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475544728 866253118 /nfs/dbraw/zinc/25/31/18/866253118.db2.gz WIOQJEMKEYUQEN-QHCPKHFHSA-N 1 3 377.532 3.629 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179108240 866590271 /nfs/dbraw/zinc/59/02/71/866590271.db2.gz AWKHDVQUMBBXMW-IBGZPJMESA-N 1 3 386.971 3.984 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000523203070 866854480 /nfs/dbraw/zinc/85/44/80/866854480.db2.gz JMLJDXHEUQHCPU-DYXWJJEUSA-N 1 3 386.584 3.632 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000523203070 866854493 /nfs/dbraw/zinc/85/44/93/866854493.db2.gz JMLJDXHEUQHCPU-DYXWJJEUSA-N 1 3 386.584 3.632 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001170428874 882046982 /nfs/dbraw/zinc/04/69/82/882046982.db2.gz PHJGOBXMFSNCRJ-FQEVSTJZSA-N 1 3 396.531 3.781 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000154302104 867345268 /nfs/dbraw/zinc/34/52/68/867345268.db2.gz ZWDVYBZNBXUAHQ-YJBOKZPZSA-N 1 3 380.374 3.615 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(c4ccccc4)CC3(C)C)CC2)CC1 ZINC000621039567 868576783 /nfs/dbraw/zinc/57/67/83/868576783.db2.gz SKYBCOYGSVUVBG-XMMPIXPASA-N 1 3 383.580 3.624 20 0 GHADHO c1cn(-c2ccccc2)c(CNCCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000190792672 882272567 /nfs/dbraw/zinc/27/25/67/882272567.db2.gz DFCAHCSDFHFPGQ-UHFFFAOYSA-N 1 3 389.547 3.564 20 0 GHADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000524878509 869709565 /nfs/dbraw/zinc/70/95/65/869709565.db2.gz GRDBHOZRDYANBQ-HBMCJLEFSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000524878509 869709571 /nfs/dbraw/zinc/70/95/71/869709571.db2.gz GRDBHOZRDYANBQ-HBMCJLEFSA-N 1 3 386.584 3.555 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462745231 870012414 /nfs/dbraw/zinc/01/24/14/870012414.db2.gz OTTGGIDGKWPKAO-QFIPXVFZSA-N 1 3 388.600 3.518 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462745231 870012430 /nfs/dbraw/zinc/01/24/30/870012430.db2.gz OTTGGIDGKWPKAO-QFIPXVFZSA-N 1 3 388.600 3.518 20 0 GHADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043229 870291726 /nfs/dbraw/zinc/29/17/26/870291726.db2.gz SBRWQNRADNEVIJ-DXIQSLLYSA-N 1 3 386.584 3.703 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248462749 870440865 /nfs/dbraw/zinc/44/08/65/870440865.db2.gz YMBPVGNTGDTJPY-VXKWHMMOSA-N 1 3 396.531 3.655 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248462749 870440895 /nfs/dbraw/zinc/44/08/95/870440895.db2.gz YMBPVGNTGDTJPY-VXKWHMMOSA-N 1 3 396.531 3.655 20 0 GHADHO CC[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Br)cc1Cl ZINC000446831330 870508198 /nfs/dbraw/zinc/50/81/98/870508198.db2.gz CXEYAPZMSGTCOT-HNNXBMFYSA-N 1 3 375.738 3.600 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc(Br)cs1 ZINC000248738694 870616249 /nfs/dbraw/zinc/61/62/49/870616249.db2.gz PHMJVXKSTSWADU-APHBMKBZSA-N 1 3 387.387 3.929 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000540159231 870620941 /nfs/dbraw/zinc/62/09/41/870620941.db2.gz XDQNNYTVYQVRKW-FDDCHVKYSA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000540159231 870620951 /nfs/dbraw/zinc/62/09/51/870620951.db2.gz XDQNNYTVYQVRKW-FDDCHVKYSA-N 1 3 384.520 3.583 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000540156086 870642862 /nfs/dbraw/zinc/64/28/62/870642862.db2.gz FOJJYNJSBTUVGQ-LPHOPBHVSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000540156086 870642871 /nfs/dbraw/zinc/64/28/71/870642871.db2.gz FOJJYNJSBTUVGQ-LPHOPBHVSA-N 1 3 393.453 3.979 20 0 GHADHO COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000766461821 870784181 /nfs/dbraw/zinc/78/41/81/870784181.db2.gz UMMHEZVFYXORBJ-HXUWFJFHSA-N 1 3 384.520 3.680 20 0 GHADHO C[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000463072283 870831107 /nfs/dbraw/zinc/83/11/07/870831107.db2.gz DOTHWODFBBIUDM-IBGZPJMESA-N 1 3 375.576 3.933 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC001193648666 871215467 /nfs/dbraw/zinc/21/54/67/871215467.db2.gz HSNUSUXUHLANCW-GHTZIAJQSA-N 1 3 390.568 3.869 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CCCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169129579 871219315 /nfs/dbraw/zinc/21/93/15/871219315.db2.gz JTDGFUQXYHGHSO-REPLKXPHSA-N 1 3 377.573 3.867 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CCCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169129579 871219327 /nfs/dbraw/zinc/21/93/27/871219327.db2.gz JTDGFUQXYHGHSO-REPLKXPHSA-N 1 3 377.573 3.867 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000091375067 871278260 /nfs/dbraw/zinc/27/82/60/871278260.db2.gz UBUPEGYRALJZFL-HSZRJFAPSA-N 1 3 377.532 3.753 20 0 GHADHO C[C@H](NCC1(N2CCCCC2)CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000091729759 871329768 /nfs/dbraw/zinc/32/97/68/871329768.db2.gz UVBUHBWVLLQZRL-KRWDZBQOSA-N 1 3 376.614 3.623 20 0 GHADHO Cc1cc2cccnc2c(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000092147329 871478784 /nfs/dbraw/zinc/47/87/84/871478784.db2.gz LEJQPUBWKJADEC-UHFFFAOYSA-N 1 3 395.551 3.615 20 0 GHADHO Cc1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc(C)c1I ZINC001205653374 871502278 /nfs/dbraw/zinc/50/22/78/871502278.db2.gz UARACJNHMAWKOK-LRDDRELGSA-N 1 3 386.321 3.715 20 0 GHADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3cn4ccccc4n3)cc2)C[C@H]1C ZINC000539228008 871542772 /nfs/dbraw/zinc/54/27/72/871542772.db2.gz VFFCZFHGMPVZPQ-BGYRXZFFSA-N 1 3 392.547 3.633 20 0 GHADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3cn4ccccc4n3)cc2)C[C@H]1C ZINC000539228008 871542790 /nfs/dbraw/zinc/54/27/90/871542790.db2.gz VFFCZFHGMPVZPQ-BGYRXZFFSA-N 1 3 392.547 3.633 20 0 GHADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001169689677 871759056 /nfs/dbraw/zinc/75/90/56/871759056.db2.gz HVUJGLIQDDWBCJ-IFMALSPDSA-N 1 3 376.504 3.840 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCN1CCc3sccc3C1)c1ccccc1O2 ZINC000539375832 871817930 /nfs/dbraw/zinc/81/79/30/871817930.db2.gz LQBQXGQYVICMHO-FQEVSTJZSA-N 1 3 397.588 3.684 20 0 GHADHO CN(CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000539394414 871847792 /nfs/dbraw/zinc/84/77/92/871847792.db2.gz QRMGWOKCNYKCJY-JOCHJYFZSA-N 1 3 397.538 3.835 20 0 GHADHO C[C@@H](C(=O)N(C)C1CCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821540 871850070 /nfs/dbraw/zinc/85/00/70/871850070.db2.gz WXRATFZFUIOGIV-IBGZPJMESA-N 1 3 386.584 3.800 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC001169781727 871873037 /nfs/dbraw/zinc/87/30/37/871873037.db2.gz URYSQHOCKVOYIU-PMACEKPBSA-N 1 3 397.607 3.939 20 0 GHADHO CN1CCN(CC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1(C)C ZINC000552064141 871966610 /nfs/dbraw/zinc/96/66/10/871966610.db2.gz YVCHUBJYBJACTP-SFHVURJKSA-N 1 3 385.474 3.652 20 0 GHADHO Clc1ccc(CN2CCC(C[NH2+][C@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169923834 872038219 /nfs/dbraw/zinc/03/82/19/872038219.db2.gz JNJLFUCXXCFMIH-FQEVSTJZSA-N 1 3 378.944 3.827 20 0 GHADHO C[N@@H+]1CCC[C@H]1CCN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002826 872098123 /nfs/dbraw/zinc/09/81/23/872098123.db2.gz UKVUHWAQUCSNEL-KMDXXIMOSA-N 1 3 381.539 3.868 20 0 GHADHO C[N@H+]1CCC[C@H]1CCN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002826 872098142 /nfs/dbraw/zinc/09/81/42/872098142.db2.gz UKVUHWAQUCSNEL-KMDXXIMOSA-N 1 3 381.539 3.868 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H](CO)Cc3ccc(F)c(F)c3)CC2)C1 ZINC000477924607 872155376 /nfs/dbraw/zinc/15/53/76/872155376.db2.gz GAUDSYCKPPTCLD-YVWKXTFCSA-N 1 3 380.523 3.749 20 0 GHADHO CCCCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000115675703 882587187 /nfs/dbraw/zinc/58/71/87/882587187.db2.gz MXEAASNQFMJLDA-FQEVSTJZSA-N 1 3 380.621 3.839 20 0 GHADHO O=C(CNC1CC(c2ccc(C(F)(F)F)cc2)C1)NCC[NH+]1CCCCCC1 ZINC000552278569 872378883 /nfs/dbraw/zinc/37/88/83/872378883.db2.gz FLFWJSHBFUXOQC-UHFFFAOYSA-N 1 3 397.485 3.533 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]1NC[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196457697 873141163 /nfs/dbraw/zinc/14/11/63/873141163.db2.gz DXJKBYRZIYVLLN-ZRBLBEILSA-N 1 3 380.532 3.834 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]1NC[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196457697 873141170 /nfs/dbraw/zinc/14/11/70/873141170.db2.gz DXJKBYRZIYVLLN-ZRBLBEILSA-N 1 3 380.532 3.834 20 0 GHADHO C[C@@H](CCc1cccc(F)c1)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000541228346 873160600 /nfs/dbraw/zinc/16/06/00/873160600.db2.gz IUKZRQKSNJJZQV-NRFANRHFSA-N 1 3 383.555 3.896 20 0 GHADHO C[C@@H](CCc1cccc(F)c1)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000541228346 873160610 /nfs/dbraw/zinc/16/06/10/873160610.db2.gz IUKZRQKSNJJZQV-NRFANRHFSA-N 1 3 383.555 3.896 20 0 GHADHO Cc1cccc(CN2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1F ZINC000449026508 874364095 /nfs/dbraw/zinc/36/40/95/874364095.db2.gz FYNRLOOTILVINP-UHFFFAOYSA-N 1 3 397.538 3.594 20 0 GHADHO Cc1cccc(CN2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1F ZINC000449026508 874364110 /nfs/dbraw/zinc/36/41/10/874364110.db2.gz FYNRLOOTILVINP-UHFFFAOYSA-N 1 3 397.538 3.594 20 0 GHADHO C[C@@H](CNC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122333 874504575 /nfs/dbraw/zinc/50/45/75/874504575.db2.gz KYHVQINRPFOJST-RXVVDRJESA-N 1 3 392.609 3.828 20 0 GHADHO C[C@@H](CNC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122333 874504584 /nfs/dbraw/zinc/50/45/84/874504584.db2.gz KYHVQINRPFOJST-RXVVDRJESA-N 1 3 392.609 3.828 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2cccc(N3CCC3=O)c2)CC1 ZINC000449302730 874691249 /nfs/dbraw/zinc/69/12/49/874691249.db2.gz KOSLQUDLKOQMQF-LJQANCHMSA-N 1 3 377.532 3.609 20 0 GHADHO CCCN1CCN(c2ccccc2CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001199329046 874928898 /nfs/dbraw/zinc/92/88/98/874928898.db2.gz MAIJKMCNUGQZBC-SZPZYZBQSA-N 1 3 386.628 3.676 20 0 GHADHO CCCN1CCN(c2ccccc2CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001199329046 874928905 /nfs/dbraw/zinc/92/89/05/874928905.db2.gz MAIJKMCNUGQZBC-SZPZYZBQSA-N 1 3 386.628 3.676 20 0 GHADHO CC(C)(C)OC(=O)N(CC[NH2+]C1CCN(CC2CC2)CC1)Cc1ccccc1 ZINC001168353342 882881123 /nfs/dbraw/zinc/88/11/23/882881123.db2.gz LIGZVIWYGPAJMY-UHFFFAOYSA-N 1 3 387.568 3.888 20 0 GHADHO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000449679745 875229934 /nfs/dbraw/zinc/22/99/34/875229934.db2.gz FHWVVFXLSMCYQX-MRXNPFEDSA-N 1 3 397.401 3.761 20 0 GHADHO Cc1c(Br)cccc1C[C@@H](CO)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000449679745 875229943 /nfs/dbraw/zinc/22/99/43/875229943.db2.gz FHWVVFXLSMCYQX-MRXNPFEDSA-N 1 3 397.401 3.761 20 0 GHADHO COCCOc1ccc(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001200990627 875450329 /nfs/dbraw/zinc/45/03/29/875450329.db2.gz YRLFYNXQOCJYRY-WOJBJXKFSA-N 1 3 382.548 3.958 20 0 GHADHO Cn1c2ccccc2cc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1=O ZINC001202219077 876062707 /nfs/dbraw/zinc/06/27/07/876062707.db2.gz CTZPYGZDRJCLAU-XMMPIXPASA-N 1 3 375.516 3.540 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179555723 883008922 /nfs/dbraw/zinc/00/89/22/883008922.db2.gz KFUIAAQEGWOAIQ-UHFFFAOYSA-N 1 3 392.503 3.536 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)CC1 ZINC000192789961 883018487 /nfs/dbraw/zinc/01/84/87/883018487.db2.gz MNVCPNMIJAYWOV-SFHVURJKSA-N 1 3 377.548 3.681 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433836 876918108 /nfs/dbraw/zinc/91/81/08/876918108.db2.gz RQGCQBUYRCSAMF-APWZRJJASA-N 1 3 397.485 3.732 20 0 GHADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786783393 876935077 /nfs/dbraw/zinc/93/50/77/876935077.db2.gz SSYCPVQRMCJNND-GOSISDBHSA-N 1 3 378.520 3.663 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000786907286 877020757 /nfs/dbraw/zinc/02/07/57/877020757.db2.gz VSKZEKOWNMTDJV-NNMXDRDESA-N 1 3 392.547 3.777 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000786907286 877020768 /nfs/dbraw/zinc/02/07/68/877020768.db2.gz VSKZEKOWNMTDJV-NNMXDRDESA-N 1 3 392.547 3.777 20 0 GHADHO Brc1ccccc1CN1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666995062 877423990 /nfs/dbraw/zinc/42/39/90/877423990.db2.gz BOHARTGMWXEXGC-SFHVURJKSA-N 1 3 392.385 3.678 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccsc1 ZINC000175602615 877789953 /nfs/dbraw/zinc/78/99/53/877789953.db2.gz MFNWBNFZNRBWHW-FQEVSTJZSA-N 1 3 392.613 3.837 20 0 GHADHO C[N@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000530548094 878035282 /nfs/dbraw/zinc/03/52/82/878035282.db2.gz JUSHMTFVIQEJCL-XPWALMASSA-N 1 3 380.617 3.655 20 0 GHADHO C[N@@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000530548094 878035302 /nfs/dbraw/zinc/03/53/02/878035302.db2.gz JUSHMTFVIQEJCL-XPWALMASSA-N 1 3 380.617 3.655 20 0 GHADHO CN(C[C@H](O)C1CCCCC1)[C@@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC000530548094 878035322 /nfs/dbraw/zinc/03/53/22/878035322.db2.gz JUSHMTFVIQEJCL-XPWALMASSA-N 1 3 380.617 3.655 20 0 GHADHO CN(C[C@H](O)C1CCCCC1)[C@@H]1CCC[N@@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC000530548094 878035338 /nfs/dbraw/zinc/03/53/38/878035338.db2.gz JUSHMTFVIQEJCL-XPWALMASSA-N 1 3 380.617 3.655 20 0 GHADHO CC[N@H+](CCCC(=O)Nc1cnccc1N(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183148968 912308471 /nfs/dbraw/zinc/30/84/71/912308471.db2.gz MXZHVMRXVTVGBH-SFHVURJKSA-N 1 3 398.551 3.828 20 0 GHADHO CC[N@@H+](CCCC(=O)Nc1cnccc1N(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183148968 912308489 /nfs/dbraw/zinc/30/84/89/912308489.db2.gz MXZHVMRXVTVGBH-SFHVURJKSA-N 1 3 398.551 3.828 20 0 GHADHO CC(C)[NH+](CCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C(C)C ZINC000176398496 878248138 /nfs/dbraw/zinc/24/81/38/878248138.db2.gz SYBKAYLRYZTUBK-UHFFFAOYSA-N 1 3 388.600 3.801 20 0 GHADHO CN1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000245682619 878367373 /nfs/dbraw/zinc/36/73/73/878367373.db2.gz VQFQKJFXHLRQTD-DHIUTWEWSA-N 1 3 392.547 3.527 20 0 GHADHO Cc1c([C@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)nnn1-c1ccc(C)cc1 ZINC000537935190 878546471 /nfs/dbraw/zinc/54/64/71/878546471.db2.gz ZFRJDENZICZKHD-SFHVURJKSA-N 1 3 390.535 3.846 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000667041659 878546683 /nfs/dbraw/zinc/54/66/83/878546683.db2.gz APRLJJFIMXSAFO-XWFZLUIHSA-N 1 3 376.541 3.591 20 0 GHADHO O[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(F)cc1F ZINC000853120017 878827388 /nfs/dbraw/zinc/82/73/88/878827388.db2.gz DSRSQSRQZAFLLS-GCJKJVERSA-N 1 3 386.486 3.890 20 0 GHADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000139006040 879155863 /nfs/dbraw/zinc/15/58/63/879155863.db2.gz PPGAMCCHVHJEAO-GOSISDBHSA-N 1 3 387.568 3.577 20 0 GHADHO CC1(C)CN(C[C@@H]2CN(C3CC3)C(=O)O2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045494 879472293 /nfs/dbraw/zinc/47/22/93/879472293.db2.gz ZHIRSAQXWFAUIF-YADHBBJMSA-N 1 3 397.563 3.592 20 0 GHADHO COc1ccccc1-c1ccnc(C2CC[NH+](CC[C@H]3CCCN3C)CC2)n1 ZINC000854095653 879524124 /nfs/dbraw/zinc/52/41/24/879524124.db2.gz CIQSMBGJOPGLDT-LJQANCHMSA-N 1 3 380.536 3.816 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)[C@H](C)C1 ZINC000246489095 879614554 /nfs/dbraw/zinc/61/45/54/879614554.db2.gz RLOYLQARMMUYQB-BAGYTPMASA-N 1 3 386.584 3.504 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)[C@H](C)C1 ZINC000246489095 879614558 /nfs/dbraw/zinc/61/45/58/879614558.db2.gz RLOYLQARMMUYQB-BAGYTPMASA-N 1 3 386.584 3.504 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000729595197 879757299 /nfs/dbraw/zinc/75/72/99/879757299.db2.gz ZBYJEEGMHVZHMV-HSZRJFAPSA-N 1 3 394.563 3.554 20 0 GHADHO Cc1nc2ccc(CNCc3ccc(C[NH+]4CCC(O)CC4)cc3)cc2s1 ZINC000494019496 879830662 /nfs/dbraw/zinc/83/06/62/879830662.db2.gz UMUTYONJJWJZNL-UHFFFAOYSA-N 1 3 381.545 3.851 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182729044 880018274 /nfs/dbraw/zinc/01/82/74/880018274.db2.gz VSPDXQWMNLIPPO-SEIRJHJZSA-N 1 3 398.595 3.602 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182729044 880018292 /nfs/dbraw/zinc/01/82/92/880018292.db2.gz VSPDXQWMNLIPPO-SEIRJHJZSA-N 1 3 398.595 3.602 20 0 GHADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183156794 880064583 /nfs/dbraw/zinc/06/45/83/880064583.db2.gz UIKQBMWXFJUJDQ-OEMFJLHTSA-N 1 3 380.580 3.860 20 0 GHADHO C[C@@H](c1ccncc1)[NH+]1CCC(NCc2cncc(Br)c2)CC1 ZINC000183750726 880144875 /nfs/dbraw/zinc/14/48/75/880144875.db2.gz JBHQXGSOBLCDEO-AWEZNQCLSA-N 1 3 375.314 3.554 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc(-c2ccccc2)nn1C ZINC000453060978 880415616 /nfs/dbraw/zinc/41/56/16/880415616.db2.gz KMPVXNMMMRAEJI-GOSISDBHSA-N 1 3 378.520 3.878 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119436 912576684 /nfs/dbraw/zinc/57/66/84/912576684.db2.gz NZZMMDOURXYXLF-UWVAXJGDSA-N 1 3 379.504 3.579 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119436 912576691 /nfs/dbraw/zinc/57/66/91/912576691.db2.gz NZZMMDOURXYXLF-UWVAXJGDSA-N 1 3 379.504 3.579 20 0 GHADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000776865038 880912130 /nfs/dbraw/zinc/91/21/30/880912130.db2.gz NIIXQECWPBXSDM-XODKDNOYSA-N 1 3 379.589 3.876 20 0 GHADHO c1ncn(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCCN4Cc4ccccc4)C3)cc2)n1 ZINC000537694591 883206459 /nfs/dbraw/zinc/20/64/59/883206459.db2.gz OCESKACOIWVAEY-UPVQGACJSA-N 1 3 387.531 3.754 20 0 GHADHO c1ncn(-c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCCN4Cc4ccccc4)C3)cc2)n1 ZINC000537694591 883206475 /nfs/dbraw/zinc/20/64/75/883206475.db2.gz OCESKACOIWVAEY-UPVQGACJSA-N 1 3 387.531 3.754 20 0 GHADHO Fc1cc(Cl)cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211910310 883232939 /nfs/dbraw/zinc/23/29/39/883232939.db2.gz BBNZMTGVPZGKHC-SFHVURJKSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1cc(Cl)cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211910310 883232955 /nfs/dbraw/zinc/23/29/55/883232955.db2.gz BBNZMTGVPZGKHC-SFHVURJKSA-N 1 3 398.869 3.718 20 0 GHADHO Cc1nnc([C@H](C)NCC[Si](C)(C)CC[NH2+][C@@H](C)c2nnc(C)s2)s1 ZINC000859253125 883694748 /nfs/dbraw/zinc/69/47/48/883694748.db2.gz RBSCAMLSNQCFQV-RYUDHWBXSA-N 1 3 398.678 3.716 20 0 GHADHO FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000806157527 884413771 /nfs/dbraw/zinc/41/37/71/884413771.db2.gz GVHRSXCOLSPHGE-OBKDMQGPSA-N 1 3 382.470 3.987 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@@H]3CCCc4sccc43)cc2)CC1 ZINC000666254671 884453796 /nfs/dbraw/zinc/45/37/96/884453796.db2.gz UZMAYJKSRGOJOH-HXUWFJFHSA-N 1 3 383.561 3.613 20 0 GHADHO C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000495072093 884483379 /nfs/dbraw/zinc/48/33/79/884483379.db2.gz ZXAJDTOHXRUZMT-LADGPHEKSA-N 1 3 399.623 3.769 20 0 GHADHO CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(F)cc1 ZINC000455868725 884601133 /nfs/dbraw/zinc/60/11/33/884601133.db2.gz WAMKIAWCSKRYBM-LEWJYISDSA-N 1 3 384.499 3.799 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)[C@@H](C)C1 ZINC000249463834 912846757 /nfs/dbraw/zinc/84/67/57/912846757.db2.gz RQVOOWSFPSEKTK-RXVVDRJESA-N 1 3 386.536 3.636 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000498616963 885078573 /nfs/dbraw/zinc/07/85/73/885078573.db2.gz NPCYZMCMRCCEQP-OAQYLSRUSA-N 1 3 390.547 3.525 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)CC1 ZINC000556496741 885149361 /nfs/dbraw/zinc/14/93/61/885149361.db2.gz DNSYVLLUWDNKEZ-LOSJGSFVSA-N 1 3 399.623 3.721 20 0 GHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000171131264 885743915 /nfs/dbraw/zinc/74/39/15/885743915.db2.gz MPOJFXDTHZTKLU-SFHVURJKSA-N 1 3 397.519 3.825 20 0 GHADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000556868718 886416297 /nfs/dbraw/zinc/41/62/97/886416297.db2.gz BJDNKTXMHPKLON-ROKPMTFOSA-N 1 3 397.563 3.853 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869857 886423682 /nfs/dbraw/zinc/42/36/82/886423682.db2.gz KJGANFLIBQJUCJ-GOTSBHOMSA-N 1 3 379.548 3.933 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869857 886423696 /nfs/dbraw/zinc/42/36/96/886423696.db2.gz KJGANFLIBQJUCJ-GOTSBHOMSA-N 1 3 379.548 3.933 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3cc4ccccc4s3)c2)C1 ZINC000132277280 886771109 /nfs/dbraw/zinc/77/11/09/886771109.db2.gz RMJZSGQPTCWXLR-FQEVSTJZSA-N 1 3 393.556 3.888 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3cc4ccccc4s3)c2)C1 ZINC000132277280 886771126 /nfs/dbraw/zinc/77/11/26/886771126.db2.gz RMJZSGQPTCWXLR-FQEVSTJZSA-N 1 3 393.556 3.888 20 0 GHADHO Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000132815019 887703558 /nfs/dbraw/zinc/70/35/58/887703558.db2.gz BLNHLEKTRDJTSH-YJYMSZOUSA-N 1 3 397.332 3.666 20 0 GHADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404348 913190818 /nfs/dbraw/zinc/19/08/18/913190818.db2.gz GODPDJLVQPXRGY-YFVAEKQCSA-N 1 3 391.987 3.787 20 0 GHADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404348 913190825 /nfs/dbraw/zinc/19/08/25/913190825.db2.gz GODPDJLVQPXRGY-YFVAEKQCSA-N 1 3 391.987 3.787 20 0 GHADHO C[C@@H](C(=O)NCCNC(c1ccccc1)c1ccccc1)[NH+]1CCCCCC1 ZINC001184436722 913201546 /nfs/dbraw/zinc/20/15/46/913201546.db2.gz OKRUOAGQSYTSPK-FQEVSTJZSA-N 1 3 379.548 3.746 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cnc2c(F)cccc2c1 ZINC000865525245 888409098 /nfs/dbraw/zinc/40/90/98/888409098.db2.gz VBKVFIDBMTVBAM-NRFANRHFSA-N 1 3 379.479 3.620 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cnc2c(F)cccc2c1 ZINC000865525245 888409107 /nfs/dbraw/zinc/40/91/07/888409107.db2.gz VBKVFIDBMTVBAM-NRFANRHFSA-N 1 3 379.479 3.620 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000810426824 888493192 /nfs/dbraw/zinc/49/31/92/888493192.db2.gz YAVRXEFGEVUSEY-QMHWCDLVSA-N 1 3 389.559 3.710 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000810426824 888493203 /nfs/dbraw/zinc/49/32/03/888493203.db2.gz YAVRXEFGEVUSEY-QMHWCDLVSA-N 1 3 389.559 3.710 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000810650041 888746948 /nfs/dbraw/zinc/74/69/48/888746948.db2.gz YXVFGVBYKKYSOR-QMHWCDLVSA-N 1 3 389.559 3.616 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000810650041 888746955 /nfs/dbraw/zinc/74/69/55/888746955.db2.gz YXVFGVBYKKYSOR-QMHWCDLVSA-N 1 3 389.559 3.616 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000465535444 889309942 /nfs/dbraw/zinc/30/99/42/889309942.db2.gz YCNVTQREOQFYAI-OALUTQOASA-N 1 3 380.602 3.647 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000465535444 889309953 /nfs/dbraw/zinc/30/99/53/889309953.db2.gz YCNVTQREOQFYAI-OALUTQOASA-N 1 3 380.602 3.647 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H](C)O1 ZINC000062252809 889336478 /nfs/dbraw/zinc/33/64/78/889336478.db2.gz FPIOHOXRMYEADR-IRXDYDNUSA-N 1 3 376.932 3.505 20 0 GHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C[C@@H](C)c1ccccc1 ZINC000532941678 889343628 /nfs/dbraw/zinc/34/36/28/889343628.db2.gz HHLDUCZRTATACL-NHCUHLMSSA-N 1 3 393.575 3.891 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868187694 889344044 /nfs/dbraw/zinc/34/40/44/889344044.db2.gz KLOCRFKUDKHLCS-FCHUYYIVSA-N 1 3 378.520 3.549 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245735028 889561944 /nfs/dbraw/zinc/56/19/44/889561944.db2.gz QSCYNZHRTUJXHF-BURNTYAHSA-N 1 3 380.511 3.585 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245735028 889561958 /nfs/dbraw/zinc/56/19/58/889561958.db2.gz QSCYNZHRTUJXHF-BURNTYAHSA-N 1 3 380.511 3.585 20 0 GHADHO C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)CN1CCCCC1 ZINC000125566488 890038214 /nfs/dbraw/zinc/03/82/14/890038214.db2.gz UTWDJVXAKBQTRW-KRWDZBQOSA-N 1 3 377.960 3.656 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]CC3=CCCOC3)CC2)c1 ZINC000126450603 890540827 /nfs/dbraw/zinc/54/08/27/890540827.db2.gz ROIFPFQKYUIUDU-UHFFFAOYSA-N 1 3 397.485 3.544 20 0 GHADHO C[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000533696645 891200803 /nfs/dbraw/zinc/20/08/03/891200803.db2.gz FYYVLOIPORLFDM-RDPSFJRHSA-N 1 3 397.607 3.520 20 0 GHADHO C[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000533696646 891200949 /nfs/dbraw/zinc/20/09/49/891200949.db2.gz FYYVLOIPORLFDM-YKSBVNFPSA-N 1 3 397.607 3.520 20 0 GHADHO C[N@@H+]1CCC[C@@H](CN[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325421 891487615 /nfs/dbraw/zinc/48/76/15/891487615.db2.gz DKZFTTYBZIFYRK-ICSRJNTNSA-N 1 3 375.557 3.964 20 0 GHADHO C[N@H+]1CCC[C@@H](CN[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325421 891487621 /nfs/dbraw/zinc/48/76/21/891487621.db2.gz DKZFTTYBZIFYRK-ICSRJNTNSA-N 1 3 375.557 3.964 20 0 GHADHO [NH3+]C[C@@H]1CN(CCOc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000393311555 891542936 /nfs/dbraw/zinc/54/29/36/891542936.db2.gz JVBSRTDRNGZISU-APWZRJJASA-N 1 3 375.310 3.502 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000128661171 892234616 /nfs/dbraw/zinc/23/46/16/892234616.db2.gz IZTRTKGQMCHKMQ-YJBOKZPZSA-N 1 3 381.948 3.776 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)N(C)C)cc1 ZINC000611675548 892322346 /nfs/dbraw/zinc/32/23/46/892322346.db2.gz NNWFDISCPDGQJO-QHCPKHFHSA-N 1 3 396.579 3.625 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H]1CCN(C)C1 ZINC000645154166 913713071 /nfs/dbraw/zinc/71/30/71/913713071.db2.gz VFXAKKXPCNFYTR-KNQAVFIVSA-N 1 3 386.584 3.687 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H]1CCN(C)C1 ZINC000645154166 913713079 /nfs/dbraw/zinc/71/30/79/913713079.db2.gz VFXAKKXPCNFYTR-KNQAVFIVSA-N 1 3 386.584 3.687 20 0 GHADHO C[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508722371 892976521 /nfs/dbraw/zinc/97/65/21/892976521.db2.gz XLPYRLIEADOOSZ-SJLPKXTDSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1ncccc1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722371 892976538 /nfs/dbraw/zinc/97/65/38/892976538.db2.gz XLPYRLIEADOOSZ-SJLPKXTDSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1ncccc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722371 892976548 /nfs/dbraw/zinc/97/65/48/892976548.db2.gz XLPYRLIEADOOSZ-SJLPKXTDSA-N 1 3 393.453 3.979 20 0 GHADHO CC[NH2+]CC1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000563155367 893413471 /nfs/dbraw/zinc/41/34/71/893413471.db2.gz YGFGYDKRNVDJEC-UHFFFAOYSA-N 1 3 389.341 3.728 20 0 GHADHO C[C@@H]1CN(c2ccccc2CNCc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC000459397450 893456339 /nfs/dbraw/zinc/45/63/39/893456339.db2.gz DSDJBPMWONGDCV-HXUWFJFHSA-N 1 3 397.563 3.532 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1cc2c(s1)CCC2 ZINC000536860107 893955513 /nfs/dbraw/zinc/95/55/13/893955513.db2.gz YRKSKMBVJDGBPY-KRWDZBQOSA-N 1 3 397.588 3.913 20 0 GHADHO C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000645493393 913932688 /nfs/dbraw/zinc/93/26/88/913932688.db2.gz ZLKVNDJBJQZFMZ-REWPJTCUSA-N 1 3 386.580 3.710 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000565491710 895672723 /nfs/dbraw/zinc/67/27/23/895672723.db2.gz MRUUFRZHUTVWNU-RTWAWAEBSA-N 1 3 377.617 3.856 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1CN1CCCCC1 ZINC000817585238 895754482 /nfs/dbraw/zinc/75/44/82/895754482.db2.gz DGCAVNDOFNWMII-FHWLQOOXSA-N 1 3 387.568 3.623 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H](C)C2(OC)CCOCC2)cc1CN1CCCCC1 ZINC000817588611 895759949 /nfs/dbraw/zinc/75/99/49/895759949.db2.gz QGWXZDYOQDFUBN-OALUTQOASA-N 1 3 390.568 3.916 20 0 GHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000817898165 895953794 /nfs/dbraw/zinc/95/37/94/895953794.db2.gz FAFJRBOSVDPHFD-ODGPQVTHSA-N 1 3 394.515 3.590 20 0 GHADHO [NH3+]CCCN(CCC(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000566246604 896196227 /nfs/dbraw/zinc/19/62/27/896196227.db2.gz XGPVRBOFAPNQHP-UHFFFAOYSA-N 1 3 390.325 3.629 20 0 GHADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1ccc(Cl)cc1Cl ZINC000818984255 896304395 /nfs/dbraw/zinc/30/43/95/896304395.db2.gz BUFHGXXFPOGMMZ-SFHVURJKSA-N 1 3 383.319 3.757 20 0 GHADHO CCCCN1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000819042490 896335821 /nfs/dbraw/zinc/33/58/21/896335821.db2.gz JBOQIULRAKQVIE-SFHVURJKSA-N 1 3 387.337 3.650 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)N(C)c3ccccc3)C2)s1 ZINC000566564829 896381357 /nfs/dbraw/zinc/38/13/57/896381357.db2.gz XAJKCMYSJGCVSH-LJQANCHMSA-N 1 3 385.577 3.863 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)N(C)c3ccccc3)C2)s1 ZINC000566564829 896381372 /nfs/dbraw/zinc/38/13/72/896381372.db2.gz XAJKCMYSJGCVSH-LJQANCHMSA-N 1 3 385.577 3.863 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C[C@H](C)O1 ZINC000796278504 914097082 /nfs/dbraw/zinc/09/70/82/914097082.db2.gz BFYCOWNFZATXNT-KBPBESRZSA-N 1 3 385.339 3.620 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000796284601 914135746 /nfs/dbraw/zinc/13/57/46/914135746.db2.gz XOSKKCAORSTUNO-VCAKUFKGSA-N 1 3 397.604 3.549 20 0 GHADHO Brc1ccc(-c2cnc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000567504973 897209057 /nfs/dbraw/zinc/20/90/57/897209057.db2.gz IDAVQTJFZHKVHM-CVEARBPZSA-N 1 3 390.325 3.926 20 0 GHADHO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000567581715 897270001 /nfs/dbraw/zinc/27/00/01/897270001.db2.gz NCNCHTDTTYVXKH-KSNOWIBYSA-N 1 3 394.559 3.536 20 0 GHADHO COC[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCCOC1 ZINC000883187688 897350062 /nfs/dbraw/zinc/35/00/62/897350062.db2.gz UAUFTEVUBXEDRV-CTNGQTDRSA-N 1 3 380.960 3.583 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@@H]3CCc4c3cccc4Cl)cc2)CC1 ZINC000568604752 897975238 /nfs/dbraw/zinc/97/52/38/897975238.db2.gz GTFZLCSSOQUYNU-JOCHJYFZSA-N 1 3 397.950 3.814 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CC(F)F)c3ccccc3)CC2)CC1 ZINC000568778187 898095185 /nfs/dbraw/zinc/09/51/85/898095185.db2.gz CPXLYWJLQNVDRG-HXUWFJFHSA-N 1 3 393.522 3.695 20 0 GHADHO C[C@@H]1C[C@H](CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476914 899050629 /nfs/dbraw/zinc/05/06/29/899050629.db2.gz CZDSRPRZOHAFMF-RLLQIKCJSA-N 1 3 379.589 3.686 20 0 GHADHO C[C@@H]1C[C@H](CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476914 899050644 /nfs/dbraw/zinc/05/06/44/899050644.db2.gz CZDSRPRZOHAFMF-RLLQIKCJSA-N 1 3 379.589 3.686 20 0 GHADHO CCc1noc(C2CCC([NH2+]C[C@@H]3CNCC[C@@H]3c3ccc(F)cc3)CC2)n1 ZINC000570498702 899345956 /nfs/dbraw/zinc/34/59/56/899345956.db2.gz YXDAVMNYWUBNIO-CAOKTKFFSA-N 1 3 386.515 3.780 20 0 GHADHO Clc1cccc2c1CC[C@H]([N@H+]1CCc3ncc(CN4CCCC4)n3CC1)C2 ZINC001171041509 899352657 /nfs/dbraw/zinc/35/26/57/899352657.db2.gz ACLKGIKNOWNNCY-SFHVURJKSA-N 1 3 384.955 3.548 20 0 GHADHO Clc1cccc2c1CC[C@H]([N@@H+]1CCc3ncc(CN4CCCC4)n3CC1)C2 ZINC001171041509 899352671 /nfs/dbraw/zinc/35/26/71/899352671.db2.gz ACLKGIKNOWNNCY-SFHVURJKSA-N 1 3 384.955 3.548 20 0 GHADHO C[C@@H]1CCCCN1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000571109636 899743112 /nfs/dbraw/zinc/74/31/12/899743112.db2.gz JYPZNGZPQBDRJP-UIFIKXQLSA-N 1 3 378.582 3.506 20 0 GHADHO C[NH+]1CCC(CN2CCN([C@H]3CCc4cc(Cl)cc(Cl)c4C3)CC2)CC1 ZINC001171088479 900179265 /nfs/dbraw/zinc/17/92/65/900179265.db2.gz VLTONBXNRPYUTF-IBGZPJMESA-N 1 3 396.406 3.810 20 0 GHADHO Cc1nccn1-c1ccc([C@@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523754 901433349 /nfs/dbraw/zinc/43/33/49/901433349.db2.gz ZKSOOGGARFKFBE-VSDWSMLSSA-N 1 3 382.552 3.599 20 0 GHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523754 901433458 /nfs/dbraw/zinc/43/34/58/901433458.db2.gz ZKSOOGGARFKFBE-VSDWSMLSSA-N 1 3 382.552 3.599 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3OC(C)(C)C)CC2)CC1 ZINC000122050153 901720419 /nfs/dbraw/zinc/72/04/19/901720419.db2.gz LMYRLOARCYNBTL-UHFFFAOYSA-N 1 3 388.556 3.544 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000779014922 902867307 /nfs/dbraw/zinc/86/73/07/902867307.db2.gz RKENETOHJGKUPY-NVXWUHKLSA-N 1 3 388.556 3.550 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc(Cl)c(F)c1 ZINC000846814133 903234655 /nfs/dbraw/zinc/23/46/55/903234655.db2.gz NZJMXNQUNGYGLU-UHFFFAOYSA-N 1 3 382.955 3.502 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H](CNc3ccnc4ccccc43)C3(C2)CCOCC3)cc1 ZINC000578200363 903608169 /nfs/dbraw/zinc/60/81/69/903608169.db2.gz QSNHGYCRQYUHMQ-OAQYLSRUSA-N 1 3 387.527 3.997 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H](CNc3ccnc4ccccc43)C3(C2)CCOCC3)cc1 ZINC000578200363 903608177 /nfs/dbraw/zinc/60/81/77/903608177.db2.gz QSNHGYCRQYUHMQ-OAQYLSRUSA-N 1 3 387.527 3.997 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C(C)(C)c4ccccc4)CC3)CC2)CC1 ZINC000578522928 903931342 /nfs/dbraw/zinc/93/13/42/903931342.db2.gz ZYMSVIUFSSIGGT-UHFFFAOYSA-N 1 3 397.607 3.809 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3CC3CCCC3)cc2)CC1 ZINC001171631340 904853206 /nfs/dbraw/zinc/85/32/06/904853206.db2.gz KCVZSKVBCZOHFM-QHCPKHFHSA-N 1 3 398.595 3.812 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3CC3CCCC3)cc2)CC1 ZINC001171631340 904853217 /nfs/dbraw/zinc/85/32/17/904853217.db2.gz KCVZSKVBCZOHFM-QHCPKHFHSA-N 1 3 398.595 3.812 20 0 GHADHO COCCC1([NH3+])CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)CC1 ZINC001171597302 904859082 /nfs/dbraw/zinc/85/90/82/904859082.db2.gz RLEYPDZZGLJKQF-ROUUACIJSA-N 1 3 397.604 3.630 20 0 GHADHO CN1CC2(C1)CC[NH+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1)CC2 ZINC001171613148 904876883 /nfs/dbraw/zinc/87/68/83/904876883.db2.gz MUZQFQIDLLLVQF-ROUUACIJSA-N 1 3 379.589 3.828 20 0 GHADHO C[C@@H]1CN(Cc2ccc(C[N@H+](C)Cc3cccc4c3OCCO4)cc2)C[C@H](C)O1 ZINC001171635882 904924061 /nfs/dbraw/zinc/92/40/61/904924061.db2.gz HYBZWNTVCXZNCG-KDURUIRLSA-N 1 3 396.531 3.699 20 0 GHADHO C[C@@H]1CN(Cc2ccc(C[N@@H+](C)Cc3cccc4c3OCCO4)cc2)C[C@H](C)O1 ZINC001171635882 904924071 /nfs/dbraw/zinc/92/40/71/904924071.db2.gz HYBZWNTVCXZNCG-KDURUIRLSA-N 1 3 396.531 3.699 20 0 GHADHO CC1(C)C[C@@H](NC[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171966596 905174588 /nfs/dbraw/zinc/17/45/88/905174588.db2.gz LSRSTMUSIMGKFJ-XZOQPEGZSA-N 1 3 382.548 3.597 20 0 GHADHO CC1(C)C[C@@H](NC[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171966596 905174597 /nfs/dbraw/zinc/17/45/97/905174597.db2.gz LSRSTMUSIMGKFJ-XZOQPEGZSA-N 1 3 382.548 3.597 20 0 GHADHO CC1(C)C[C@H](NCCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171984444 905242200 /nfs/dbraw/zinc/24/22/00/905242200.db2.gz VULWMYOYKYNJPO-JOCHJYFZSA-N 1 3 391.559 3.999 20 0 GHADHO CC1(C)C[C@H](NCCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171984444 905242214 /nfs/dbraw/zinc/24/22/14/905242214.db2.gz VULWMYOYKYNJPO-JOCHJYFZSA-N 1 3 391.559 3.999 20 0 GHADHO COc1cccc(C[C@H](CO)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172072826 905276414 /nfs/dbraw/zinc/27/64/14/905276414.db2.gz NGTZKQXHFZISEY-YCAMKHIRSA-N 1 3 394.559 3.774 20 0 GHADHO COc1cccc(C[C@H](CO)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172072826 905276430 /nfs/dbraw/zinc/27/64/30/905276430.db2.gz NGTZKQXHFZISEY-YCAMKHIRSA-N 1 3 394.559 3.774 20 0 GHADHO CCN(C(C)=O)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172088740 905305674 /nfs/dbraw/zinc/30/56/74/905305674.db2.gz NYXYUCSXLXODQT-UBRQYEGLSA-N 1 3 383.580 3.905 20 0 GHADHO CCN(C(C)=O)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172088740 905305695 /nfs/dbraw/zinc/30/56/95/905305695.db2.gz NYXYUCSXLXODQT-UBRQYEGLSA-N 1 3 383.580 3.905 20 0 GHADHO O=C(C1CCC1)N1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067755 905334881 /nfs/dbraw/zinc/33/48/81/905334881.db2.gz SDMUGJARJFYXPI-GPJHCHHRSA-N 1 3 381.564 3.563 20 0 GHADHO O=C(C1CCC1)N1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067755 905334896 /nfs/dbraw/zinc/33/48/96/905334896.db2.gz SDMUGJARJFYXPI-GPJHCHHRSA-N 1 3 381.564 3.563 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC(NC(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172115783 905367301 /nfs/dbraw/zinc/36/73/01/905367301.db2.gz ADLVZCNAKHWTIB-REPLKXPHSA-N 1 3 377.573 3.771 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174867929 905379123 /nfs/dbraw/zinc/37/91/23/905379123.db2.gz SVQYKYANLVCAAM-OAQYLSRUSA-N 1 3 380.536 3.734 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174867929 905379143 /nfs/dbraw/zinc/37/91/43/905379143.db2.gz SVQYKYANLVCAAM-OAQYLSRUSA-N 1 3 380.536 3.734 20 0 GHADHO c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@@H]4CN(Cc5ccncc5)CCO[C@@H]4C3)C2)cc1 ZINC001172560824 905622885 /nfs/dbraw/zinc/62/28/85/905622885.db2.gz LJGFXSQJXQBUEK-ZGFBMJKBSA-N 1 3 391.559 3.941 20 0 GHADHO c1ccc([C@@H]2CC[C@@H]([N@@H+]3CC[C@@H]4CN(Cc5ccncc5)CCO[C@@H]4C3)C2)cc1 ZINC001172560824 905622894 /nfs/dbraw/zinc/62/28/94/905622894.db2.gz LJGFXSQJXQBUEK-ZGFBMJKBSA-N 1 3 391.559 3.941 20 0 GHADHO Cc1cc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)ccc1Br ZINC001206204161 906526675 /nfs/dbraw/zinc/52/66/75/906526675.db2.gz GVYZPNVFCSCGIX-UHFFFAOYSA-N 1 3 381.358 3.881 20 0 GHADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001173773851 906700359 /nfs/dbraw/zinc/70/03/59/906700359.db2.gz PFMYICONOJMLIF-IRXDYDNUSA-N 1 3 381.923 3.546 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000299263438 921272986 /nfs/dbraw/zinc/27/29/86/921272986.db2.gz KKKJDKOAQLLKKR-MAUKXSAKSA-N 1 3 399.938 3.534 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000299263438 921272989 /nfs/dbraw/zinc/27/29/89/921272989.db2.gz KKKJDKOAQLLKKR-MAUKXSAKSA-N 1 3 399.938 3.534 20 0 GHADHO C[NH+]1CCC(Oc2ccc(NC3=CCN(Cc4ccccc4)CC3)nc2)CC1 ZINC001175505391 907591906 /nfs/dbraw/zinc/59/19/06/907591906.db2.gz OKUNWRYIJLNNOQ-UHFFFAOYSA-N 1 3 378.520 3.756 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc2C1 ZINC000631664114 907796060 /nfs/dbraw/zinc/79/60/60/907796060.db2.gz LXXGGSXZSNKRND-CYSDGLOUSA-N 1 3 391.559 3.838 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc2C1 ZINC000631664114 907796068 /nfs/dbraw/zinc/79/60/68/907796068.db2.gz LXXGGSXZSNKRND-CYSDGLOUSA-N 1 3 391.559 3.838 20 0 GHADHO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c2ccccc2C1 ZINC000631664114 907796074 /nfs/dbraw/zinc/79/60/74/907796074.db2.gz LXXGGSXZSNKRND-CYSDGLOUSA-N 1 3 391.559 3.838 20 0 GHADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000632950069 908165263 /nfs/dbraw/zinc/16/52/63/908165263.db2.gz YBJGHIQXJGZNKM-SFHVURJKSA-N 1 3 394.441 3.849 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCS2 ZINC000191511202 908635557 /nfs/dbraw/zinc/63/55/57/908635557.db2.gz SJBIQZAKOXIOFQ-QFIPXVFZSA-N 1 3 398.572 3.979 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001178412115 909047695 /nfs/dbraw/zinc/04/76/95/909047695.db2.gz BRXAMGGDPVRNFT-UYAOXDASSA-N 1 3 379.589 3.924 20 0 GHADHO C[C@@H](CCNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC001178463664 909066326 /nfs/dbraw/zinc/06/63/26/909066326.db2.gz SZOXLADLFMPUHV-GJZGRUSLSA-N 1 3 381.483 3.686 20 0 GHADHO C[C@H](CN(C)C(=O)OC(C)(C)C)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001179238037 909434126 /nfs/dbraw/zinc/43/41/26/909434126.db2.gz GUBHDQSKNIPSQP-GOSISDBHSA-N 1 3 377.573 3.990 20 0 GHADHO C[C@H](CN(C)C(=O)OC(C)(C)C)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001179238037 909434131 /nfs/dbraw/zinc/43/41/31/909434131.db2.gz GUBHDQSKNIPSQP-GOSISDBHSA-N 1 3 377.573 3.990 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC000638380250 910137255 /nfs/dbraw/zinc/13/72/55/910137255.db2.gz AAFYJMQTBCHSEC-LZQZEXGQSA-N 1 3 380.374 3.516 20 0 GHADHO CCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CCN(Cc2ccccc2)CC1 ZINC001180680808 910302149 /nfs/dbraw/zinc/30/21/49/910302149.db2.gz BGVGFOPYRQIWHO-GMAHTHKFSA-N 1 3 383.580 3.907 20 0 GHADHO CCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CCN(Cc2ccccc2)CC1 ZINC001180680808 910302169 /nfs/dbraw/zinc/30/21/69/910302169.db2.gz BGVGFOPYRQIWHO-GMAHTHKFSA-N 1 3 383.580 3.907 20 0 GHADHO CC(C)c1ccc(CN2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC001181945996 911096441 /nfs/dbraw/zinc/09/64/41/911096441.db2.gz QSTPSHVGSXMHRZ-UHFFFAOYSA-N 1 3 375.520 3.709 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC000283194031 911407844 /nfs/dbraw/zinc/40/78/44/911407844.db2.gz FWTBIKMINMJWSQ-UHFFFAOYSA-N 1 3 384.543 3.812 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC000283194031 911407852 /nfs/dbraw/zinc/40/78/52/911407852.db2.gz FWTBIKMINMJWSQ-UHFFFAOYSA-N 1 3 384.543 3.812 20 0 GHADHO COc1ccc(C[NH+]2CCC(CN[C@H](C)c3cc4n(n3)CCCC4)CC2)cc1 ZINC000647286312 915136270 /nfs/dbraw/zinc/13/62/70/915136270.db2.gz KNPZUHWDKCZVSG-GOSISDBHSA-N 1 3 382.552 3.791 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000648483494 915714850 /nfs/dbraw/zinc/71/48/50/915714850.db2.gz DQIVUECPTHIJIE-XXBNENTESA-N 1 3 383.580 3.605 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1CN1CCCCC1 ZINC000775369874 917229022 /nfs/dbraw/zinc/22/90/22/917229022.db2.gz BCDMCEQZLZGPLR-VGOFRKELSA-N 1 3 394.563 3.988 20 0 GHADHO CCCOc1c(Cl)cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650705547 917242220 /nfs/dbraw/zinc/24/22/20/917242220.db2.gz LCSILVHJHRYOMM-LNLFQRSKSA-N 1 3 396.959 3.856 20 0 GHADHO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CNCc2ccccc21 ZINC000653253053 918201801 /nfs/dbraw/zinc/20/18/01/918201801.db2.gz FOQWHBLHYHXFTD-NRFANRHFSA-N 1 3 381.545 3.700 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCc3cccc(Cl)c3)CC2)CC1 ZINC000654645835 919270306 /nfs/dbraw/zinc/27/03/06/919270306.db2.gz IJFBZKPQCRGMQQ-UHFFFAOYSA-N 1 3 391.987 3.585 20 0 GHADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297419714 919318413 /nfs/dbraw/zinc/31/84/13/919318413.db2.gz YXPLFNWWDDGOHE-PKTZIBPZSA-N 1 3 398.595 3.523 20 0 GHADHO CC(=O)OCc1cccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000903107426 922778767 /nfs/dbraw/zinc/77/87/67/922778767.db2.gz UHQIRISYAFJUIT-GOSISDBHSA-N 1 3 396.531 3.557 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)CC1 ZINC000368632584 922784424 /nfs/dbraw/zinc/78/44/24/922784424.db2.gz NZHXIYILUORZIG-UHFFFAOYSA-N 1 3 375.523 3.846 20 0 GHADHO CC(=O)OCc1cccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000903147514 922807862 /nfs/dbraw/zinc/80/78/62/922807862.db2.gz JZASHIFMAGKIEQ-HOYKHHGWSA-N 1 3 396.531 3.557 20 0 GHADHO CC(=O)OCc1cccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000903147514 922807880 /nfs/dbraw/zinc/80/78/80/922807880.db2.gz JZASHIFMAGKIEQ-HOYKHHGWSA-N 1 3 396.531 3.557 20 0 GHADHO Cc1c(C[C@H](CN)C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)cnn1C ZINC000903919266 923399570 /nfs/dbraw/zinc/39/95/70/923399570.db2.gz CDRHUPDXCJAQQQ-UYAOXDASSA-N 1 3 376.548 3.656 20 0 GHADHO C[C@@H]1C[C@@H](N(C)Cc2ccccc2-n2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000678259977 924692723 /nfs/dbraw/zinc/69/27/23/924692723.db2.gz OKYPHCZFRWZWLG-KNQAVFIVSA-N 1 3 375.520 3.752 20 0 GHADHO C[C@@H]1C[C@@H](N(C)Cc2ccccc2-n2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000678259977 924692729 /nfs/dbraw/zinc/69/27/29/924692729.db2.gz OKYPHCZFRWZWLG-KNQAVFIVSA-N 1 3 375.520 3.752 20 0 GHADHO C[C@H](NCCC(=O)NCc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519330 926484402 /nfs/dbraw/zinc/48/44/02/926484402.db2.gz RVOZFPGMOHZKTR-WMZOPIPTSA-N 1 3 377.960 3.589 20 0 GHADHO C[C@H](NCCC(=O)NCc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519330 926484404 /nfs/dbraw/zinc/48/44/04/926484404.db2.gz RVOZFPGMOHZKTR-WMZOPIPTSA-N 1 3 377.960 3.589 20 0 GHADHO C[C@@H](Cn1cc(Br)cn1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000469235162 929719500 /nfs/dbraw/zinc/71/95/00/929719500.db2.gz JYRAEEJLYIZVDB-INIZCTEOSA-N 1 3 391.357 3.810 20 0 GHADHO CCc1cccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1 ZINC000469723026 930111307 /nfs/dbraw/zinc/11/13/07/930111307.db2.gz LKPSKCJFUPIPJQ-UHFFFAOYSA-N 1 3 393.575 3.709 20 0 GHADHO C[C@H]1C[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000781337788 930801172 /nfs/dbraw/zinc/80/11/72/930801172.db2.gz LMBUJGZUSDJZPI-MAUKXSAKSA-N 1 3 387.515 3.756 20 0 GHADHO C[C@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000781337788 930801174 /nfs/dbraw/zinc/80/11/74/930801174.db2.gz LMBUJGZUSDJZPI-MAUKXSAKSA-N 1 3 387.515 3.756 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920908 931030519 /nfs/dbraw/zinc/03/05/19/931030519.db2.gz BDHZBCYIPBUTBC-SUMWQHHRSA-N 1 3 394.346 3.993 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920908 931030524 /nfs/dbraw/zinc/03/05/24/931030524.db2.gz BDHZBCYIPBUTBC-SUMWQHHRSA-N 1 3 394.346 3.993 20 0 GHADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000925857230 931923980 /nfs/dbraw/zinc/92/39/80/931923980.db2.gz UNNWLMUMZIIANB-VQIMIIECSA-N 1 3 398.478 3.954 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000558316556 931938375 /nfs/dbraw/zinc/93/83/75/931938375.db2.gz LLXJFMUAUKAURU-UNMCSNQZSA-N 1 3 388.600 3.517 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000558316556 931938379 /nfs/dbraw/zinc/93/83/79/931938379.db2.gz LLXJFMUAUKAURU-UNMCSNQZSA-N 1 3 388.600 3.517 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000926590776 932239342 /nfs/dbraw/zinc/23/93/42/932239342.db2.gz FCUOYPWPLPKBNV-IBGZPJMESA-N 1 3 382.548 3.592 20 0 GHADHO O=c1ccc([C@@H]2OCC[C@H]2NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH]1 ZINC000926769745 932298519 /nfs/dbraw/zinc/29/85/19/932298519.db2.gz KJODKOWVRINJPL-MTBCEAFUSA-N 1 3 393.531 3.793 20 0 GHADHO O=c1ccc([C@@H]2OCC[C@H]2NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH]1 ZINC000926769745 932298528 /nfs/dbraw/zinc/29/85/28/932298528.db2.gz KJODKOWVRINJPL-MTBCEAFUSA-N 1 3 393.531 3.793 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936086 932824555 /nfs/dbraw/zinc/82/45/55/932824555.db2.gz XJHFNESKWLOOQX-RPBOFIJWSA-N 1 3 391.559 3.982 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936086 932824571 /nfs/dbraw/zinc/82/45/71/932824571.db2.gz XJHFNESKWLOOQX-RPBOFIJWSA-N 1 3 391.559 3.982 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3cn4ccccc4n3)CC2)c1 ZINC000559892072 932926530 /nfs/dbraw/zinc/92/65/30/932926530.db2.gz BOKWBQYFDIYPJS-NRFANRHFSA-N 1 3 391.563 3.896 20 0 GHADHO Cc1cccc(N2CC[NH+](CCCCN[C@@H](C)c3cn4ccccc4n3)CC2)c1 ZINC000559892072 932926536 /nfs/dbraw/zinc/92/65/36/932926536.db2.gz BOKWBQYFDIYPJS-NRFANRHFSA-N 1 3 391.563 3.896 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3[C@@H](C)c3ccccc3)CC2)CC1 ZINC000928387513 932960482 /nfs/dbraw/zinc/96/04/82/932960482.db2.gz WBZZKGMOGXWDDM-RDPSFJRHSA-N 1 3 397.607 3.977 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1(C)C ZINC000799726308 933100868 /nfs/dbraw/zinc/10/08/68/933100868.db2.gz NBCHLNBROKEMMB-SFHVURJKSA-N 1 3 383.552 3.994 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531004 933315831 /nfs/dbraw/zinc/31/58/31/933315831.db2.gz VYJGSRFODIGAHU-HTZUNMPGSA-N 1 3 385.533 3.813 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531004 933315841 /nfs/dbraw/zinc/31/58/41/933315841.db2.gz VYJGSRFODIGAHU-HTZUNMPGSA-N 1 3 385.533 3.813 20 0 GHADHO c1ccc([C@@H]2CCN(Cc3cncc(C[N@@H+]4CC[C@@H](c5ccccn5)C4)c3)C2)nc1 ZINC000829448754 935810709 /nfs/dbraw/zinc/81/07/09/935810709.db2.gz DENLNXJRPMCMLR-DHIUTWEWSA-N 1 3 399.542 3.851 20 0 GHADHO c1ccc([C@@H]2CCN(Cc3cncc(C[N@H+]4CC[C@@H](c5ccccn5)C4)c3)C2)nc1 ZINC000829448754 935810713 /nfs/dbraw/zinc/81/07/13/935810713.db2.gz DENLNXJRPMCMLR-DHIUTWEWSA-N 1 3 399.542 3.851 20 0 GHADHO CN1Cc2c(NC(=O)[C@@H]3C[NH+]4CCC3CC4)cccc2[C@@H](c2ccccc2)C1 ZINC001182012563 1014968400 /nfs/dbraw/zinc/96/84/00/1014968400.db2.gz ZBMIWGTUOCUMJA-NHCUHLMSSA-N 1 3 375.516 3.544 20 0 GHADHO C[C@@H]1C[C@H](CCN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000545473499 1015913105 /nfs/dbraw/zinc/91/31/05/1015913105.db2.gz MICQQFUDTAQABN-AGHHOFFYSA-N 1 3 399.966 3.627 20 0 GHADHO C[C@@H]1C[C@H](CCN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000545473499 1015913108 /nfs/dbraw/zinc/91/31/08/1015913108.db2.gz MICQQFUDTAQABN-AGHHOFFYSA-N 1 3 399.966 3.627 20 0 GHADHO Cc1ccc([C@H](C(=O)NCCP(C(C)C)C(C)C)N2CCC[NH2+]CC2)cc1 ZINC001221254875 1032350318 /nfs/dbraw/zinc/35/03/18/1032350318.db2.gz YHQKWXURXMECMG-OAQYLSRUSA-N 1 3 391.540 3.746 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001221461930 1032425234 /nfs/dbraw/zinc/42/52/34/1032425234.db2.gz CSTZHAIMZYJHFE-WOJBJXKFSA-N 1 3 392.632 3.650 20 0 GHADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001138145265 1024228299 /nfs/dbraw/zinc/22/82/99/1024228299.db2.gz SKHZHZPMRQYLCN-BEFAXECRSA-N 1 3 381.511 3.584 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC001204984599 1033195052 /nfs/dbraw/zinc/19/50/52/1033195052.db2.gz LROPZBDIBGTESW-SCCNAQOGSA-N 1 3 377.960 3.542 20 0 GHADHO c1cn(-c2cccc(C[NH+]3CCC4(CCN(Cc5cccnc5)C4)CC3)c2)cn1 ZINC001141242430 1024246624 /nfs/dbraw/zinc/24/66/24/1024246624.db2.gz VNFWJFLQLUSWAQ-UHFFFAOYSA-N 1 3 387.531 3.755 20 0 GHADHO COC(=O)CCCN(Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138769846 1025338607 /nfs/dbraw/zinc/33/86/07/1025338607.db2.gz KZWUUSOXJBMWKG-UHFFFAOYSA-N 1 3 384.520 3.582 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cccc3ccnn31)CC2 ZINC001138806218 1025397845 /nfs/dbraw/zinc/39/78/45/1025397845.db2.gz VAEKOQPTIKFITD-UHFFFAOYSA-N 1 3 375.520 3.606 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cccc3ccnn31)CC2 ZINC001138806218 1025397860 /nfs/dbraw/zinc/39/78/60/1025397860.db2.gz VAEKOQPTIKFITD-UHFFFAOYSA-N 1 3 375.520 3.606 20 0 GHADHO C[C@@H](C(=O)NCCNC(c1ccccc1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001161896646 1025481295 /nfs/dbraw/zinc/48/12/95/1025481295.db2.gz PGMIZAJJUHWHNA-ZCNNSNEGSA-N 1 3 379.548 3.743 20 0 GHADHO C[C@@H](C(=O)NCCNC(c1ccccc1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001161896646 1025481305 /nfs/dbraw/zinc/48/13/05/1025481305.db2.gz PGMIZAJJUHWHNA-ZCNNSNEGSA-N 1 3 379.548 3.743 20 0 GHADHO COc1cccc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)c1F ZINC001461040840 1069354282 /nfs/dbraw/zinc/35/42/82/1069354282.db2.gz YSLMYLXHHUBCIZ-UHFFFAOYSA-N 1 3 385.527 3.835 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1ccc3nsnc3c1)CC2 ZINC001139211577 1026061319 /nfs/dbraw/zinc/06/13/19/1026061319.db2.gz NWLZYANRIKKENW-UHFFFAOYSA-N 1 3 393.560 3.963 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1ccc3nsnc3c1)CC2 ZINC001139211577 1026061339 /nfs/dbraw/zinc/06/13/39/1026061339.db2.gz NWLZYANRIKKENW-UHFFFAOYSA-N 1 3 393.560 3.963 20 0 GHADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCN(Cc3ccncc3)CC2)nc1 ZINC001163828731 1026330863 /nfs/dbraw/zinc/33/08/63/1026330863.db2.gz PIHVTCFAFJBBOI-JOCHJYFZSA-N 1 3 379.552 3.736 20 0 GHADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCN(Cc3ccncc3)CC2)nc1 ZINC001163828731 1026330871 /nfs/dbraw/zinc/33/08/71/1026330871.db2.gz PIHVTCFAFJBBOI-JOCHJYFZSA-N 1 3 379.552 3.736 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171686 1069424535 /nfs/dbraw/zinc/42/45/35/1069424535.db2.gz OSBMRNCOFKWTFY-LSDHHAIUSA-N 1 3 381.483 3.542 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171686 1069424543 /nfs/dbraw/zinc/42/45/43/1069424543.db2.gz OSBMRNCOFKWTFY-LSDHHAIUSA-N 1 3 381.483 3.542 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171686 1069424550 /nfs/dbraw/zinc/42/45/50/1069424550.db2.gz OSBMRNCOFKWTFY-LSDHHAIUSA-N 1 3 381.483 3.542 20 0 GHADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166890058 1027136503 /nfs/dbraw/zinc/13/65/03/1027136503.db2.gz WFWMBCKNFQBFQJ-FQEVSTJZSA-N 1 3 395.551 3.774 20 0 GHADHO COc1cccc2cc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)oc21 ZINC000840969562 1028002781 /nfs/dbraw/zinc/00/27/81/1028002781.db2.gz IRTIMZDFYCRBKQ-UHFFFAOYSA-N 1 3 380.488 3.558 20 0 GHADHO C[NH+](C)Cc1ccc(CN[C@@H](c2cccnc2)C2CC2)c2c1OC(F)(F)O2 ZINC001461411624 1069538886 /nfs/dbraw/zinc/53/88/86/1069538886.db2.gz YTLABVUQXKAAOY-QGZVFWFLSA-N 1 3 375.419 3.706 20 0 GHADHO COc1ccc([C@H](CN)C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000842471807 1029312947 /nfs/dbraw/zinc/31/29/47/1029312947.db2.gz BBVIVVPRRADXQC-DENIHFKCSA-N 1 3 388.939 3.837 20 0 GHADHO CC(C)(C)OC(=O)NC/C=C\CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407630 1029980125 /nfs/dbraw/zinc/98/01/25/1029980125.db2.gz VMWYKBOZCZPQQG-AQWUKCDYSA-N 1 3 385.552 3.854 20 0 GHADHO CC(C)(C)OC(=O)NC/C=C\CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407630 1029980138 /nfs/dbraw/zinc/98/01/38/1029980138.db2.gz VMWYKBOZCZPQQG-AQWUKCDYSA-N 1 3 385.552 3.854 20 0 GHADHO c1[nH]c2cc(OCc3ccccc3)ccc2c1CN1CCC2(CC1)C[NH2+]CCO2 ZINC001222208850 1030005441 /nfs/dbraw/zinc/00/54/41/1030005441.db2.gz SUTKNZHUYXJSOO-UHFFFAOYSA-N 1 3 391.515 3.701 20 0 GHADHO Brc1cnc2c(C[N@@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)c[nH]c2c1 ZINC001222610495 1030235144 /nfs/dbraw/zinc/23/51/44/1030235144.db2.gz ZMWQRPWQILXJEL-QGZVFWFLSA-N 1 3 397.320 3.514 20 0 GHADHO Brc1cnc2c(C[N@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)c[nH]c2c1 ZINC001222610495 1030235160 /nfs/dbraw/zinc/23/51/60/1030235160.db2.gz ZMWQRPWQILXJEL-QGZVFWFLSA-N 1 3 397.320 3.514 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001224901155 1031170301 /nfs/dbraw/zinc/17/03/01/1031170301.db2.gz XJSJOVJPGMRNIO-QXLPQFPDSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001224901155 1031170308 /nfs/dbraw/zinc/17/03/08/1031170308.db2.gz XJSJOVJPGMRNIO-QXLPQFPDSA-N 1 3 398.595 3.728 20 0 GHADHO O=C(C[C@@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21)Nc1cccc2c1CNC2 ZINC001218994203 1031200495 /nfs/dbraw/zinc/20/04/95/1031200495.db2.gz DZMVCURTVRBNSZ-MRXNPFEDSA-N 1 3 379.479 3.566 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001225131225 1031272134 /nfs/dbraw/zinc/27/21/34/1031272134.db2.gz ROCKYNFDHVWJNE-OAQYLSRUSA-N 1 3 386.584 3.735 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCCC2)N(C)C)cc1 ZINC001220494583 1031963496 /nfs/dbraw/zinc/96/34/96/1031963496.db2.gz PQPGFMMUPCXVHS-OAQYLSRUSA-N 1 3 388.600 3.661 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CC[C@@H](C)[C@H](C[NH3+])CC3)c2n1 ZINC001205638509 1033505972 /nfs/dbraw/zinc/50/59/72/1033505972.db2.gz OTFAGFQAKGDPDP-KGLIPLIRSA-N 1 3 392.341 3.813 20 0 GHADHO C[C@H]1CCN(Cc2cc(OC(F)F)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205651278 1033511862 /nfs/dbraw/zinc/51/18/62/1033511862.db2.gz CCEAXVNFRVPNRJ-NWDGAFQWSA-N 1 3 377.273 3.857 20 0 GHADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001229587769 1033574954 /nfs/dbraw/zinc/57/49/54/1033574954.db2.gz CKFPRVWLRBBQIX-WTIAFYNJSA-N 1 3 398.595 3.746 20 0 GHADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001229587769 1033574960 /nfs/dbraw/zinc/57/49/60/1033574960.db2.gz CKFPRVWLRBBQIX-WTIAFYNJSA-N 1 3 398.595 3.746 20 0 GHADHO COc1ncc(CN2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)cn1 ZINC001206395333 1033826845 /nfs/dbraw/zinc/82/68/45/1033826845.db2.gz TWYWLQGEHWJYRO-UHFFFAOYSA-N 1 3 380.536 3.672 20 0 GHADHO CCOc1cc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)cc(Br)c1O ZINC001206590464 1033917926 /nfs/dbraw/zinc/91/79/26/1033917926.db2.gz MOPLGWIGHYAZOS-HNNXBMFYSA-N 1 3 385.346 3.906 20 0 GHADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158251270 1033989073 /nfs/dbraw/zinc/98/90/73/1033989073.db2.gz ZSIXQJFQQOJQLT-FGTMMUONSA-N 1 3 395.469 3.545 20 0 GHADHO CN1CCC(N(c2ccc3c(Cl)ccc(F)c3n2)C2CC[NH2+]CC2)CC1 ZINC001158590669 1034181447 /nfs/dbraw/zinc/18/14/47/1034181447.db2.gz HCWINOWSCWOHOJ-UHFFFAOYSA-N 1 3 376.907 3.680 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001207244560 1034206671 /nfs/dbraw/zinc/20/66/71/1034206671.db2.gz DMJUDXOIEXGCFB-PMACEKPBSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001207244560 1034206688 /nfs/dbraw/zinc/20/66/88/1034206688.db2.gz DMJUDXOIEXGCFB-PMACEKPBSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001207244560 1034206703 /nfs/dbraw/zinc/20/67/03/1034206703.db2.gz DMJUDXOIEXGCFB-PMACEKPBSA-N 1 3 379.589 3.974 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001230887466 1034273833 /nfs/dbraw/zinc/27/38/33/1034273833.db2.gz ZFFHISCPZSGZPK-GIVPXCGWSA-N 1 3 386.584 3.726 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001230887466 1034273835 /nfs/dbraw/zinc/27/38/35/1034273835.db2.gz ZFFHISCPZSGZPK-GIVPXCGWSA-N 1 3 386.584 3.726 20 0 GHADHO C[NH+]1CCC(CCN2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001207481289 1034392331 /nfs/dbraw/zinc/39/23/31/1034392331.db2.gz APNGQWMGHYVENI-VXKWHMMOSA-N 1 3 399.579 3.937 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001231264252 1034492830 /nfs/dbraw/zinc/49/28/30/1034492830.db2.gz VEZJBPBXAWHPOY-IRLDBZIGSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001231264252 1034492831 /nfs/dbraw/zinc/49/28/31/1034492831.db2.gz VEZJBPBXAWHPOY-IRLDBZIGSA-N 1 3 398.595 3.699 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CC(CN3CCC([NH+]4CCC4)CC3)C2)CC1 ZINC001207808348 1034587003 /nfs/dbraw/zinc/58/70/03/1034587003.db2.gz ACTZIVXFUUOUSB-UHFFFAOYSA-N 1 3 377.573 3.584 20 0 GHADHO C[NH+](C)CC1(CN2CCC3(CCC(=O)N3Cc3ccccc3)CC2)CCCC1 ZINC001208191030 1034786516 /nfs/dbraw/zinc/78/65/16/1034786516.db2.gz KDTQCJIAEMTDMS-UHFFFAOYSA-N 1 3 383.580 3.766 20 0 GHADHO COCc1ccc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC001231691100 1034840319 /nfs/dbraw/zinc/84/03/19/1034840319.db2.gz HLZSZVWBFYMAPS-FQEVSTJZSA-N 1 3 384.520 3.682 20 0 GHADHO COCc1ccc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC001231691100 1034840329 /nfs/dbraw/zinc/84/03/29/1034840329.db2.gz HLZSZVWBFYMAPS-FQEVSTJZSA-N 1 3 384.520 3.682 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)N2CCCC2)cc1 ZINC001160655830 1035026046 /nfs/dbraw/zinc/02/60/46/1035026046.db2.gz CXRUSSFCIXIEPA-HJOGWXRNSA-N 1 3 391.559 3.941 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)N2CCCC2)cc1 ZINC001160655830 1035026056 /nfs/dbraw/zinc/02/60/56/1035026056.db2.gz CXRUSSFCIXIEPA-HJOGWXRNSA-N 1 3 391.559 3.941 20 0 GHADHO O=C(C[C@H]1CCC[NH2+]C1)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160681978 1035034639 /nfs/dbraw/zinc/03/46/39/1035034639.db2.gz BCPMJLQPLBYZDM-DNQXCXABSA-N 1 3 391.559 3.679 20 0 GHADHO CN(CCCC1c2ccccc2C=Cc2ccccc21)C(=O)[C@H](N)CCC[NH3+] ZINC001160917988 1035093396 /nfs/dbraw/zinc/09/33/96/1035093396.db2.gz DDKNMFKZZHKHON-HSZRJFAPSA-N 1 3 377.532 3.607 20 0 GHADHO CCCCN(C(=O)[C@@H](N)CCCC[NH3+])[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001160921647 1035093872 /nfs/dbraw/zinc/09/38/72/1035093872.db2.gz KXRFQYCYHRQVNM-QAPCUYQASA-N 1 3 387.490 3.721 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC[C@H]1F ZINC001208931262 1035094260 /nfs/dbraw/zinc/09/42/60/1035094260.db2.gz IQRDXEIUXHDDKV-IPMKNSEASA-N 1 3 388.449 3.626 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC[C@H]1F ZINC001208931262 1035094268 /nfs/dbraw/zinc/09/42/68/1035094268.db2.gz IQRDXEIUXHDDKV-IPMKNSEASA-N 1 3 388.449 3.626 20 0 GHADHO COC(=O)CCN(Cc1ccccc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938466 1035106883 /nfs/dbraw/zinc/10/68/83/1035106883.db2.gz ZYGFXLQPBDPJGS-QHCPKHFHSA-N 1 3 380.532 3.964 20 0 GHADHO COC(=O)CCN(Cc1ccccc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938466 1035106885 /nfs/dbraw/zinc/10/68/85/1035106885.db2.gz ZYGFXLQPBDPJGS-QHCPKHFHSA-N 1 3 380.532 3.964 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001232147406 1035125331 /nfs/dbraw/zinc/12/53/31/1035125331.db2.gz HYGHQYDIXCUSBJ-UHFFFAOYSA-N 1 3 379.520 3.719 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001232147406 1035125335 /nfs/dbraw/zinc/12/53/35/1035125335.db2.gz HYGHQYDIXCUSBJ-UHFFFAOYSA-N 1 3 379.520 3.719 20 0 GHADHO CN(CCN(C)C(=O)C[C@H]([NH3+])Cc1cccc2ccccc21)Cc1ccccc1 ZINC001161161058 1035163500 /nfs/dbraw/zinc/16/35/00/1035163500.db2.gz LWYJPSBPMXXNPQ-HSZRJFAPSA-N 1 3 389.543 3.690 20 0 GHADHO C[C@H](C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)c1cccc(Oc2ccccc2)c1 ZINC001161447825 1035232712 /nfs/dbraw/zinc/23/27/12/1035232712.db2.gz ZCHFPSBUECMETN-PZJWPPBQSA-N 1 3 395.547 3.725 20 0 GHADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001161453358 1035234077 /nfs/dbraw/zinc/23/40/77/1035234077.db2.gz DXRFUYMFMWFUGJ-ZWKOTPCHSA-N 1 3 395.469 3.633 20 0 GHADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001161453358 1035234080 /nfs/dbraw/zinc/23/40/80/1035234080.db2.gz DXRFUYMFMWFUGJ-ZWKOTPCHSA-N 1 3 395.469 3.633 20 0 GHADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001161455018 1035234229 /nfs/dbraw/zinc/23/42/29/1035234229.db2.gz BNDAYSNZYJEPAP-ROUUACIJSA-N 1 3 385.474 3.818 20 0 GHADHO C[NH+]1CCC(N(C(=O)[C@H](N)Cc2ccc(C(C)(C)C)cc2)C2CCCC2)CC1 ZINC001161454386 1035234352 /nfs/dbraw/zinc/23/43/52/1035234352.db2.gz VTMBWBNTKXXUQU-JOCHJYFZSA-N 1 3 385.596 3.719 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCOc1ccccc1)CC2 ZINC001209297944 1035234546 /nfs/dbraw/zinc/23/45/46/1035234546.db2.gz LIZANPRGYGRLLE-QFIPXVFZSA-N 1 3 380.532 3.821 20 0 GHADHO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383591 1035265050 /nfs/dbraw/zinc/26/50/50/1035265050.db2.gz XHHJYEGBIBGEHZ-PPAVOTHMSA-N 1 3 390.612 3.651 20 0 GHADHO C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383591 1035265059 /nfs/dbraw/zinc/26/50/59/1035265059.db2.gz XHHJYEGBIBGEHZ-PPAVOTHMSA-N 1 3 390.612 3.651 20 0 GHADHO O=C1CCC2(CC[NH+](CCCN3CCCCC3)CC2)N1Cc1cccc(F)c1 ZINC001209449638 1035276733 /nfs/dbraw/zinc/27/67/33/1035276733.db2.gz BIHUTYBMSFSOQN-UHFFFAOYSA-N 1 3 387.543 3.659 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC001245972437 1037096759 /nfs/dbraw/zinc/09/67/59/1037096759.db2.gz DQWUCHCGUCGXJW-RBZQAINGSA-N 1 3 396.481 3.769 20 0 GHADHO O[C@@H](C[NH2+][C@@H]1CCCNC1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245981081 1037106047 /nfs/dbraw/zinc/10/60/47/1037106047.db2.gz FNFCBZOKVLAYQT-APWZRJJASA-N 1 3 377.315 3.940 20 0 GHADHO O[C@H](C[NH2+][C@H]1[C@@H]2C[C@H]1CNC2)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245984711 1037108234 /nfs/dbraw/zinc/10/82/34/1037108234.db2.gz OUTLFOXLVVIBSV-DHXFQYHUSA-N 1 3 389.326 3.796 20 0 GHADHO O[C@H](CN[C@H](c1ccccc1F)C1CC[NH2+]CC1)COc1ccc(Cl)cc1 ZINC001245996635 1037117430 /nfs/dbraw/zinc/11/74/30/1037117430.db2.gz ATBFSHUGTPBLJU-UTKZUKDTSA-N 1 3 392.902 3.549 20 0 GHADHO COCC[N@H+](C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C1CCNCC1 ZINC001246044029 1037157302 /nfs/dbraw/zinc/15/73/02/1037157302.db2.gz FDVGPBMORNYUNW-JOCHJYFZSA-N 1 3 397.003 3.750 20 0 GHADHO COCC[N@@H+](C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C1CCNCC1 ZINC001246044029 1037157306 /nfs/dbraw/zinc/15/73/06/1037157306.db2.gz FDVGPBMORNYUNW-JOCHJYFZSA-N 1 3 397.003 3.750 20 0 GHADHO COCCN(C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C1CC[NH2+]CC1 ZINC001246044029 1037157311 /nfs/dbraw/zinc/15/73/11/1037157311.db2.gz FDVGPBMORNYUNW-JOCHJYFZSA-N 1 3 397.003 3.750 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001246060575 1037173731 /nfs/dbraw/zinc/17/37/31/1037173731.db2.gz GKHVIWCPCVZVIU-XUVXKRRUSA-N 1 3 394.437 3.653 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001246060575 1037173751 /nfs/dbraw/zinc/17/37/51/1037173751.db2.gz GKHVIWCPCVZVIU-XUVXKRRUSA-N 1 3 394.437 3.653 20 0 GHADHO COC(=O)c1cccc2c(CNC[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccnc12 ZINC001462176644 1070054248 /nfs/dbraw/zinc/05/42/48/1070054248.db2.gz PUXCPLFRODEGPP-IBGZPJMESA-N 1 3 389.499 3.633 20 0 GHADHO COC(=O)c1cccc2c(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccnc12 ZINC001462176644 1070054261 /nfs/dbraw/zinc/05/42/61/1070054261.db2.gz PUXCPLFRODEGPP-IBGZPJMESA-N 1 3 389.499 3.633 20 0 GHADHO Cc1cccc(C2(C[NH2+][C@H]3CCNC4(CCC4)C3)CCC3(CC2)OCCO3)c1 ZINC001246331521 1037297489 /nfs/dbraw/zinc/29/74/89/1037297489.db2.gz XOUREYPFNYMAGZ-NRFANRHFSA-N 1 3 384.564 3.814 20 0 GHADHO CCn1c2ccccc2nc1N1CCC([NH2+][C@@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246405272 1037362670 /nfs/dbraw/zinc/36/26/70/1037362670.db2.gz KHWVNEKKLKVIBU-NQIIRXRSSA-N 1 3 383.584 3.781 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@@H](NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246427409 1037384246 /nfs/dbraw/zinc/38/42/46/1037384246.db2.gz GAVUQLXINUNFOE-SJLPKXTDSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246427409 1037384280 /nfs/dbraw/zinc/38/42/80/1037384280.db2.gz GAVUQLXINUNFOE-SJLPKXTDSA-N 1 3 398.469 3.692 20 0 GHADHO COc1ccccc1CC1([NH2+][C@@H]2CCc3c(cccc3OC)C2)CCNCC1 ZINC001246426091 1037384731 /nfs/dbraw/zinc/38/47/31/1037384731.db2.gz OVWDYIOVFGRWNB-HXUWFJFHSA-N 1 3 380.532 3.516 20 0 GHADHO CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CCN1 ZINC001246441091 1037402660 /nfs/dbraw/zinc/40/26/60/1037402660.db2.gz KGFOSIPJWMKEGY-QZTJIDSGSA-N 1 3 395.385 3.909 20 0 GHADHO C[C@@H]1CN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@@H](C)CN1Cc1ccccc1 ZINC001246533296 1037467127 /nfs/dbraw/zinc/46/71/27/1037467127.db2.gz MHWIQZXXBUXKGR-HWIPXOPOSA-N 1 3 377.576 3.945 20 0 GHADHO CCOC(=O)CC[C@@H](C)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617826 1037505591 /nfs/dbraw/zinc/50/55/91/1037505591.db2.gz GWUWRWKVRWLAOV-TZIWHRDSSA-N 1 3 388.552 3.522 20 0 GHADHO CCOC(=O)CC[C@@H](C)[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617826 1037505608 /nfs/dbraw/zinc/50/56/08/1037505608.db2.gz GWUWRWKVRWLAOV-TZIWHRDSSA-N 1 3 388.552 3.522 20 0 GHADHO CCOC(=O)CC[C@@H](C)[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617826 1037505616 /nfs/dbraw/zinc/50/56/16/1037505616.db2.gz GWUWRWKVRWLAOV-TZIWHRDSSA-N 1 3 388.552 3.522 20 0 GHADHO COc1ccc2c(c1)C1(CC[NH2+]CC1)N([C@@H]1CCc3c(cccc3OC)C1)CC2 ZINC001246637126 1037523267 /nfs/dbraw/zinc/52/32/67/1037523267.db2.gz LGUAQQSXTKORQD-HXUWFJFHSA-N 1 3 392.543 3.698 20 0 GHADHO COC(=O)[C@@H]1CCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677262 1037542674 /nfs/dbraw/zinc/54/26/74/1037542674.db2.gz MGYDGQOMPLKOJY-ODAXIHTASA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677262 1037542684 /nfs/dbraw/zinc/54/26/84/1037542684.db2.gz MGYDGQOMPLKOJY-ODAXIHTASA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677262 1037542704 /nfs/dbraw/zinc/54/27/04/1037542704.db2.gz MGYDGQOMPLKOJY-ODAXIHTASA-N 1 3 378.516 3.586 20 0 GHADHO CC[N@H+](CCCN1CCCC1)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462198231 1070076023 /nfs/dbraw/zinc/07/60/23/1070076023.db2.gz KDNOAEVFIBPQJW-HNNXBMFYSA-N 1 3 381.483 3.640 20 0 GHADHO CC[N@@H+](CCCN1CCCC1)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462198231 1070076044 /nfs/dbraw/zinc/07/60/44/1070076044.db2.gz KDNOAEVFIBPQJW-HNNXBMFYSA-N 1 3 381.483 3.640 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CCN[C@@H](Cc3ccccc3)C2)o1 ZINC001246711573 1037565104 /nfs/dbraw/zinc/56/51/04/1037565104.db2.gz YORYRCMASXLBHN-SGKWCMOWSA-N 1 3 379.548 3.600 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@@H]2CCN[C@@H](Cc3ccccc3)C2)o1 ZINC001246711573 1037565113 /nfs/dbraw/zinc/56/51/13/1037565113.db2.gz YORYRCMASXLBHN-SGKWCMOWSA-N 1 3 379.548 3.600 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CCN2)cc1 ZINC001246738004 1037580337 /nfs/dbraw/zinc/58/03/37/1037580337.db2.gz CQKGBBKDXLPQTG-DHIUTWEWSA-N 1 3 398.554 3.908 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CCN2)cc1 ZINC001246738004 1037580360 /nfs/dbraw/zinc/58/03/60/1037580360.db2.gz CQKGBBKDXLPQTG-DHIUTWEWSA-N 1 3 398.554 3.908 20 0 GHADHO O=C1C[C@]2(CC[N@@H+]([C@@H]3CCN[C@@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752423 1037591391 /nfs/dbraw/zinc/59/13/91/1037591391.db2.gz CCTILGVCBLADIC-MZKRTTBSSA-N 1 3 395.572 3.540 20 0 GHADHO O=C1C[C@]2(CC[N@H+]([C@@H]3CCN[C@@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752423 1037591399 /nfs/dbraw/zinc/59/13/99/1037591399.db2.gz CCTILGVCBLADIC-MZKRTTBSSA-N 1 3 395.572 3.540 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CCN1 ZINC001246756919 1037599310 /nfs/dbraw/zinc/59/93/10/1037599310.db2.gz UBNJKKLAMWPKPE-CGXNFDGLSA-N 1 3 378.564 3.969 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CCN1 ZINC001246756919 1037599324 /nfs/dbraw/zinc/59/93/24/1037599324.db2.gz UBNJKKLAMWPKPE-CGXNFDGLSA-N 1 3 378.564 3.969 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246769033 1037610554 /nfs/dbraw/zinc/61/05/54/1037610554.db2.gz WGSBUXDYJRBSKI-HYFFOGBASA-N 1 3 391.506 3.704 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246914785 1037720131 /nfs/dbraw/zinc/72/01/31/1037720131.db2.gz CNBUHEUFURIDPH-MXEMCNAFSA-N 1 3 376.516 3.890 20 0 GHADHO C[C@@H]1C[C@@H]([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)C[C@H](C)O1 ZINC001246937837 1037743684 /nfs/dbraw/zinc/74/36/84/1037743684.db2.gz NALSCQOFPLDPHO-CCWDJLKJSA-N 1 3 381.358 3.959 20 0 GHADHO C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)C[C@H](C)O1 ZINC001246937837 1037743707 /nfs/dbraw/zinc/74/37/07/1037743707.db2.gz NALSCQOFPLDPHO-CCWDJLKJSA-N 1 3 381.358 3.959 20 0 GHADHO O=C(N(c1ccccc1)c1ccccc1)N1CCN([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246950957 1037754214 /nfs/dbraw/zinc/75/42/14/1037754214.db2.gz XLGPSIHNZSFJOE-NPHXMPSESA-N 1 3 390.531 3.560 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953294 1037758081 /nfs/dbraw/zinc/75/80/81/1037758081.db2.gz AXDAKADJWVNFAA-MAUKXSAKSA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246953294 1037758101 /nfs/dbraw/zinc/75/81/01/1037758101.db2.gz AXDAKADJWVNFAA-MAUKXSAKSA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246953294 1037758123 /nfs/dbraw/zinc/75/81/23/1037758123.db2.gz AXDAKADJWVNFAA-MAUKXSAKSA-N 1 3 380.479 3.641 20 0 GHADHO FC(F)(F)c1cccnc1N1CCC([N@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC001246971611 1037794899 /nfs/dbraw/zinc/79/48/99/1037794899.db2.gz HRXRBNBURREOQA-OAHLLOKOSA-N 1 3 382.474 3.533 20 0 GHADHO FC(F)(F)c1cccnc1N1CCC([N@@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC001246971611 1037794912 /nfs/dbraw/zinc/79/49/12/1037794912.db2.gz HRXRBNBURREOQA-OAHLLOKOSA-N 1 3 382.474 3.533 20 0 GHADHO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)C1 ZINC001246990765 1037815087 /nfs/dbraw/zinc/81/50/87/1037815087.db2.gz JBSIGZVVSGPDCK-SGNDLWITSA-N 1 3 392.543 3.805 20 0 GHADHO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)C1 ZINC001246990765 1037815107 /nfs/dbraw/zinc/81/51/07/1037815107.db2.gz JBSIGZVVSGPDCK-SGNDLWITSA-N 1 3 392.543 3.805 20 0 GHADHO CN1CCC([N@H+](C2CCNCC2)[C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246993000 1037818856 /nfs/dbraw/zinc/81/88/56/1037818856.db2.gz JPZYDAHQZZUXQW-IBGZPJMESA-N 1 3 396.406 3.999 20 0 GHADHO CN1CCC([N@@H+](C2CCNCC2)[C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246993000 1037818884 /nfs/dbraw/zinc/81/88/84/1037818884.db2.gz JPZYDAHQZZUXQW-IBGZPJMESA-N 1 3 396.406 3.999 20 0 GHADHO COC(=O)[C@H]1CCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000415 1037822818 /nfs/dbraw/zinc/82/28/18/1037822818.db2.gz MGYDGQOMPLKOJY-LUKWVAJMSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@H]1CC[N@@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000415 1037822844 /nfs/dbraw/zinc/82/28/44/1037822844.db2.gz MGYDGQOMPLKOJY-LUKWVAJMSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@H]1CC[N@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000415 1037822854 /nfs/dbraw/zinc/82/28/54/1037822854.db2.gz MGYDGQOMPLKOJY-LUKWVAJMSA-N 1 3 378.516 3.586 20 0 GHADHO Fc1ccc2c(c1)[nH]nc2CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001233120346 1038906550 /nfs/dbraw/zinc/90/65/50/1038906550.db2.gz AVDUBWNMKPACLL-UHFFFAOYSA-N 1 3 379.483 3.585 20 0 GHADHO Fc1ccc2c(c1)[nH]nc2CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001233120346 1038906553 /nfs/dbraw/zinc/90/65/53/1038906553.db2.gz AVDUBWNMKPACLL-UHFFFAOYSA-N 1 3 379.483 3.585 20 0 GHADHO Cc1ccc(Cl)cc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001233249131 1039009770 /nfs/dbraw/zinc/00/97/70/1039009770.db2.gz KRGXQIYQASYREM-NHCUHLMSSA-N 1 3 389.971 3.556 20 0 GHADHO O=c1ccc2c(C[N@@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc(O)c2[nH]1 ZINC001233294314 1039078569 /nfs/dbraw/zinc/07/85/69/1039078569.db2.gz FUGANYXKYKUOAU-DEOSSOPVSA-N 1 3 389.499 3.744 20 0 GHADHO O=c1ccc2c(C[N@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc(O)c2[nH]1 ZINC001233294314 1039078586 /nfs/dbraw/zinc/07/85/86/1039078586.db2.gz FUGANYXKYKUOAU-DEOSSOPVSA-N 1 3 389.499 3.744 20 0 GHADHO CCOC(=O)c1ccnc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001233326572 1039119685 /nfs/dbraw/zinc/11/96/85/1039119685.db2.gz JFOZUBIPWTYQIC-UHFFFAOYSA-N 1 3 381.520 3.602 20 0 GHADHO O[C@]1(CN[C@@H](CC2CCOCC2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950173 1039294579 /nfs/dbraw/zinc/29/45/79/1039294579.db2.gz FPXDGPXMWDJWQJ-DQEYMECFSA-N 1 3 394.559 3.771 20 0 GHADHO O[C@]1(CN[C@@H](CC2CCOCC2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950173 1039294597 /nfs/dbraw/zinc/29/45/97/1039294597.db2.gz FPXDGPXMWDJWQJ-DQEYMECFSA-N 1 3 394.559 3.771 20 0 GHADHO CC[NH+](CC)C[C@@H](O)CN1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1 ZINC001253195560 1039469722 /nfs/dbraw/zinc/46/97/22/1039469722.db2.gz RETLDNVPLPUJSR-RPWUZVMVSA-N 1 3 396.575 3.744 20 0 GHADHO OC1(C[NH+]2CCC(Oc3ccccc3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254034864 1039967523 /nfs/dbraw/zinc/96/75/23/1039967523.db2.gz OSWISUOAFQMRQY-UHFFFAOYSA-N 1 3 380.532 3.557 20 0 GHADHO Cc1ccccc1O[C@@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035923 1039967729 /nfs/dbraw/zinc/96/77/29/1039967729.db2.gz DDYHWFNFKXQTBI-HSZRJFAPSA-N 1 3 394.559 3.865 20 0 GHADHO Cc1ccccc1O[C@@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035923 1039967735 /nfs/dbraw/zinc/96/77/35/1039967735.db2.gz DDYHWFNFKXQTBI-HSZRJFAPSA-N 1 3 394.559 3.865 20 0 GHADHO OC1(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CCN(Cc2ccccc2)CC1 ZINC001254035760 1039967804 /nfs/dbraw/zinc/96/78/04/1039967804.db2.gz BGYUZLKVVYCXBK-SGNDLWITSA-N 1 3 398.591 3.541 20 0 GHADHO OC1(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CCN(Cc2ccccc2)CC1 ZINC001254035760 1039967811 /nfs/dbraw/zinc/96/78/11/1039967811.db2.gz BGYUZLKVVYCXBK-SGNDLWITSA-N 1 3 398.591 3.541 20 0 GHADHO COc1ccccc1[C@@H]1CCC[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038416 1039968369 /nfs/dbraw/zinc/96/83/69/1039968369.db2.gz HGZWVCUGJYGOGR-QFIPXVFZSA-N 1 3 380.532 3.859 20 0 GHADHO COc1ccccc1[C@@H]1CCC[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038416 1039968370 /nfs/dbraw/zinc/96/83/70/1039968370.db2.gz HGZWVCUGJYGOGR-QFIPXVFZSA-N 1 3 380.532 3.859 20 0 GHADHO Cc1ccc(O[C@H]2CCC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)cc1 ZINC001254038111 1039969248 /nfs/dbraw/zinc/96/92/48/1039969248.db2.gz YSHNYGXZVFLESJ-DEOSSOPVSA-N 1 3 394.559 3.865 20 0 GHADHO Cc1ccc(O[C@H]2CCC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)cc1 ZINC001254038111 1039969250 /nfs/dbraw/zinc/96/92/50/1039969250.db2.gz YSHNYGXZVFLESJ-DEOSSOPVSA-N 1 3 394.559 3.865 20 0 GHADHO Oc1ccc(C2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC001254041374 1039970066 /nfs/dbraw/zinc/97/00/66/1039970066.db2.gz JFXJASDNDAQZGO-UHFFFAOYSA-N 1 3 380.532 3.599 20 0 GHADHO OC1(CNCc2cc(Cl)nc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001254050004 1039975496 /nfs/dbraw/zinc/97/54/96/1039975496.db2.gz ZOYYDIZOZKBAFX-UHFFFAOYSA-N 1 3 380.319 3.505 20 0 GHADHO O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC001234394757 1039998818 /nfs/dbraw/zinc/99/88/18/1039998818.db2.gz BAFSTRIZLFXDTI-QFIPXVFZSA-N 1 3 398.595 3.701 20 0 GHADHO O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC001234394757 1039998820 /nfs/dbraw/zinc/99/88/20/1039998820.db2.gz BAFSTRIZLFXDTI-QFIPXVFZSA-N 1 3 398.595 3.701 20 0 GHADHO O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC001234394756 1039999068 /nfs/dbraw/zinc/99/90/68/1039999068.db2.gz BAFSTRIZLFXDTI-JOCHJYFZSA-N 1 3 398.595 3.701 20 0 GHADHO O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC001234394756 1039999070 /nfs/dbraw/zinc/99/90/70/1039999070.db2.gz BAFSTRIZLFXDTI-JOCHJYFZSA-N 1 3 398.595 3.701 20 0 GHADHO CN1CCC[C@H]([NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)CC1 ZINC001254520906 1040296457 /nfs/dbraw/zinc/29/64/57/1040296457.db2.gz ZJGZJPNAYUVCJX-IBGZPJMESA-N 1 3 375.582 3.551 20 0 GHADHO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CNCCC3(F)F)c2c(OC)cccc12 ZINC001235086281 1040575150 /nfs/dbraw/zinc/57/51/50/1040575150.db2.gz AWTCODLVLSDWOT-FQEVSTJZSA-N 1 3 376.447 3.678 20 0 GHADHO COc1ccc(C[N@H+]2CC[C@@]3(C2)CNCCC3(F)F)c2c(OC)cccc12 ZINC001235086281 1040575160 /nfs/dbraw/zinc/57/51/60/1040575160.db2.gz AWTCODLVLSDWOT-FQEVSTJZSA-N 1 3 376.447 3.678 20 0 GHADHO COc1cc(CN2CCCC[C@H]2C2CC[NH2+]CC2)cc(Br)c1OC ZINC001235157976 1040651263 /nfs/dbraw/zinc/65/12/63/1040651263.db2.gz SVUBOHVCGJPLSJ-KRWDZBQOSA-N 1 3 397.357 3.820 20 0 GHADHO COC(=O)c1cc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1Br ZINC001235157694 1040651519 /nfs/dbraw/zinc/65/15/19/1040651519.db2.gz RBYFLVGAGKXZJM-GOSISDBHSA-N 1 3 395.341 3.590 20 0 GHADHO OC1CC(N[C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255071009 1040764477 /nfs/dbraw/zinc/76/44/77/1040764477.db2.gz BNYDPFJFXSPEFL-JEZXRVLCSA-N 1 3 376.544 3.864 20 0 GHADHO OC1CC(N[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255071009 1040764493 /nfs/dbraw/zinc/76/44/93/1040764493.db2.gz BNYDPFJFXSPEFL-JEZXRVLCSA-N 1 3 376.544 3.864 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130544 1040825131 /nfs/dbraw/zinc/82/51/31/1040825131.db2.gz VRMBDCCKFFUJSN-MJTJJFPGSA-N 1 3 391.559 3.677 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130544 1040825142 /nfs/dbraw/zinc/82/51/42/1040825142.db2.gz VRMBDCCKFFUJSN-MJTJJFPGSA-N 1 3 391.559 3.677 20 0 GHADHO CCOC(=O)[C@@]12CN(Cc3ccc(C)c(Cl)c3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235352276 1040830290 /nfs/dbraw/zinc/83/02/90/1040830290.db2.gz NWJIOWMWEUQKKX-KXBFYZLASA-N 1 3 385.335 3.667 20 0 GHADHO COc1ccccc1N(C)c1ccc(CN2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)cc1 ZINC001235398406 1040912390 /nfs/dbraw/zinc/91/23/90/1040912390.db2.gz VNRZSDSQWQQENY-QUCCMNQESA-N 1 3 383.511 3.972 20 0 GHADHO COc1cncc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001235464766 1040950561 /nfs/dbraw/zinc/95/05/61/1040950561.db2.gz OQCQBNHRTOLUJX-QFIPXVFZSA-N 1 3 395.547 3.654 20 0 GHADHO COc1cncc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001235464766 1040950562 /nfs/dbraw/zinc/95/05/62/1040950562.db2.gz OQCQBNHRTOLUJX-QFIPXVFZSA-N 1 3 395.547 3.654 20 0 GHADHO COCCOc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)cc1F ZINC001255390563 1040978191 /nfs/dbraw/zinc/97/81/91/1040978191.db2.gz IXXABKZLUAWYFM-NRFANRHFSA-N 1 3 386.511 3.995 20 0 GHADHO O=C1CCCCN1c1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)cn1 ZINC001255392927 1040981175 /nfs/dbraw/zinc/98/11/75/1040981175.db2.gz NFIQOSBUMDQKMB-QFIPXVFZSA-N 1 3 392.547 3.743 20 0 GHADHO Cc1cnc(O[C@@H]2CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)nc1 ZINC001255409656 1040998515 /nfs/dbraw/zinc/99/85/15/1040998515.db2.gz KERIKFJWKOAZIE-FCHUYYIVSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cnc(O[C@@H]2CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)nc1 ZINC001255409656 1040998518 /nfs/dbraw/zinc/99/85/18/1040998518.db2.gz KERIKFJWKOAZIE-FCHUYYIVSA-N 1 3 380.536 3.683 20 0 GHADHO COC(=O)[C@H]1C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410321 1041001886 /nfs/dbraw/zinc/00/18/86/1041001886.db2.gz UKOCUZICNBWWKX-GGAORHGYSA-N 1 3 378.516 3.814 20 0 GHADHO COC(=O)[C@H]1C[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410321 1041001932 /nfs/dbraw/zinc/00/19/32/1041001932.db2.gz UKOCUZICNBWWKX-GGAORHGYSA-N 1 3 378.516 3.814 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3[C@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659198 1041108983 /nfs/dbraw/zinc/10/89/83/1041108983.db2.gz CXVXJEUNYACOAU-TWUVWWFLSA-N 1 3 377.523 3.588 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3[C@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659198 1041108992 /nfs/dbraw/zinc/10/89/92/1041108992.db2.gz CXVXJEUNYACOAU-TWUVWWFLSA-N 1 3 377.523 3.588 20 0 GHADHO Cc1ccccc1CN(C)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235664205 1041118137 /nfs/dbraw/zinc/11/81/37/1041118137.db2.gz ZLWKTDMMJIGZCE-UHFFFAOYSA-N 1 3 388.353 3.799 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001255607986 1041162860 /nfs/dbraw/zinc/16/28/60/1041162860.db2.gz XUBOQZCAVQICLC-HXUWFJFHSA-N 1 3 385.552 3.594 20 0 GHADHO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1cc2c(s1)CC[NH2+]C2 ZINC001235833471 1041358557 /nfs/dbraw/zinc/35/85/57/1041358557.db2.gz FDGBWMZBZILLML-FCEWJHQRSA-N 1 3 389.609 3.689 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)cc1 ZINC001235937001 1041442110 /nfs/dbraw/zinc/44/21/10/1041442110.db2.gz OPBSMUGKDHDJOD-DNQXCXABSA-N 1 3 399.554 3.719 20 0 GHADHO [NH3+]CC1CN([C@H]2CCCN(Cc3ccccc3Oc3cccc(Cl)c3)C2)C1 ZINC001236081083 1041526500 /nfs/dbraw/zinc/52/65/00/1041526500.db2.gz XYOKRSKVTSKSKS-FQEVSTJZSA-N 1 3 385.939 3.987 20 0 GHADHO CCOC(=O)N1CCC([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001256234921 1041670526 /nfs/dbraw/zinc/67/05/26/1041670526.db2.gz YMOFYVXIURKEFW-UHFFFAOYSA-N 1 3 393.959 3.763 20 0 GHADHO CCN([C@@H]1CCOC1)C1CC[NH+](C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001256314495 1041699123 /nfs/dbraw/zinc/69/91/23/1041699123.db2.gz JAZFROWPMAHCGP-JOCHJYFZSA-N 1 3 391.987 3.884 20 0 GHADHO CN(C)Cc1cc(F)cc(CN(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001236503747 1041743686 /nfs/dbraw/zinc/74/36/86/1041743686.db2.gz BVMCCRXWDWBICX-UHFFFAOYSA-N 1 3 391.481 3.920 20 0 GHADHO Cc1ccccc1CN(Cc1cnnn1Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236560032 1041763270 /nfs/dbraw/zinc/76/32/70/1041763270.db2.gz HPJDQGGLRWQNTN-YHBQERECSA-N 1 3 389.547 3.907 20 0 GHADHO COc1ccc(CN(C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)n1 ZINC001236574919 1041766678 /nfs/dbraw/zinc/76/66/78/1041766678.db2.gz YAZGFZGCCQMVQG-KOMQPUFPSA-N 1 3 382.346 3.867 20 0 GHADHO C[NH+]1CCC2(CCN(Cc3ccc(-n4cccn4)c(Br)c3)C2)CC1 ZINC001236913960 1041954975 /nfs/dbraw/zinc/95/49/75/1041954975.db2.gz GBPYUOZVHLGSDD-UHFFFAOYSA-N 1 3 389.341 3.553 20 0 GHADHO Cn1c2ccccc2c(Cl)c(CN2CCC(CC3CC[NH2+]CC3)CC2)c1=O ZINC001236961994 1041970706 /nfs/dbraw/zinc/97/07/06/1041970706.db2.gz KPSKOQZSEKJIHJ-UHFFFAOYSA-N 1 3 387.955 3.794 20 0 GHADHO COc1cccc(-c2ncc(CN3CCC(CC4CC[NH2+]CC4)CC3)cn2)c1 ZINC001236962382 1041971298 /nfs/dbraw/zinc/97/12/98/1041971298.db2.gz XNAXKTGPJJZKPD-UHFFFAOYSA-N 1 3 380.536 3.754 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(-c2ccc(Cl)cc2)nc1 ZINC001237008666 1041988670 /nfs/dbraw/zinc/98/86/70/1041988670.db2.gz LTBCFGMAQZTJTF-FCHUYYIVSA-N 1 3 384.955 3.612 20 0 GHADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(-c2ccc(Cl)cc2)nc1 ZINC001237008666 1041988673 /nfs/dbraw/zinc/98/86/73/1041988673.db2.gz LTBCFGMAQZTJTF-FCHUYYIVSA-N 1 3 384.955 3.612 20 0 GHADHO COC(=O)Cc1cccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)c1 ZINC001237486780 1042230634 /nfs/dbraw/zinc/23/06/34/1042230634.db2.gz BCTMNLORDMAFJR-UHFFFAOYSA-N 1 3 378.516 3.500 20 0 GHADHO CN(C)CCN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001239308402 1042806454 /nfs/dbraw/zinc/80/64/54/1042806454.db2.gz YSAACCNEEJQUKB-CYBMUJFWSA-N 1 3 392.853 3.506 20 0 GHADHO Cc1cccnc1N1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550877 1043514240 /nfs/dbraw/zinc/51/42/40/1043514240.db2.gz NXZKEVVKHGRVBP-JTHBVZDNSA-N 1 3 378.564 3.955 20 0 GHADHO Cc1cccnc1N1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550877 1043514248 /nfs/dbraw/zinc/51/42/48/1043514248.db2.gz NXZKEVVKHGRVBP-JTHBVZDNSA-N 1 3 378.564 3.955 20 0 GHADHO Cc1cccc(N2CCCN([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552420 1043515529 /nfs/dbraw/zinc/51/55/29/1043515529.db2.gz CBSZKVOVAZGUCP-GMAHTHKFSA-N 1 3 378.564 3.955 20 0 GHADHO Cc1cccc(N2CCCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552420 1043515534 /nfs/dbraw/zinc/51/55/34/1043515534.db2.gz CBSZKVOVAZGUCP-GMAHTHKFSA-N 1 3 378.564 3.955 20 0 GHADHO Cc1cccc(N2CCCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552421 1043519065 /nfs/dbraw/zinc/51/90/65/1043519065.db2.gz CBSZKVOVAZGUCP-JTHBVZDNSA-N 1 3 378.564 3.955 20 0 GHADHO Cc1cccc(N2CCCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552421 1043519072 /nfs/dbraw/zinc/51/90/72/1043519072.db2.gz CBSZKVOVAZGUCP-JTHBVZDNSA-N 1 3 378.564 3.955 20 0 GHADHO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](C1CCN(C(C)(C)C)CC1)CC2 ZINC001256570606 1043542338 /nfs/dbraw/zinc/54/23/38/1043542338.db2.gz MSYCOJVHNMQPPJ-NRFANRHFSA-N 1 3 383.580 3.730 20 0 GHADHO c1ccc(COc2ccccc2C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256683167 1043619754 /nfs/dbraw/zinc/61/97/54/1043619754.db2.gz UQKGSHIWIZXCJA-UHFFFAOYSA-N 1 3 380.532 3.999 20 0 GHADHO FC(F)(F)c1ncccc1[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256689179 1043623680 /nfs/dbraw/zinc/62/36/80/1043623680.db2.gz SGCAJUXUVCASMK-LEOMRAHMSA-N 1 3 383.458 3.785 20 0 GHADHO Fc1cccc(-c2nc(C[NH2+]C3CCC(N4CCOCC4)CC3)cs2)c1 ZINC001256687896 1043623906 /nfs/dbraw/zinc/62/39/06/1043623906.db2.gz JYLNXLIFTXLYLQ-UHFFFAOYSA-N 1 3 375.513 3.682 20 0 GHADHO Clc1cccc(Cn2cnc(CNC3CCN(c4cc[nH+]cc4)CC3)c2)c1 ZINC001256854449 1043703664 /nfs/dbraw/zinc/70/36/64/1043703664.db2.gz RVTHSEKVGQWFHP-UHFFFAOYSA-N 1 3 381.911 3.738 20 0 GHADHO CN(C1CC1)C1CC[NH+](C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001257850692 1044220617 /nfs/dbraw/zinc/22/06/17/1044220617.db2.gz DSRXOHYOIGFMRU-XEWABKELSA-N 1 3 377.573 3.581 20 0 GHADHO C[N@H+](C1CC1)C1CCN(C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001257850692 1044220632 /nfs/dbraw/zinc/22/06/32/1044220632.db2.gz DSRXOHYOIGFMRU-XEWABKELSA-N 1 3 377.573 3.581 20 0 GHADHO C[N@@H+](C1CC1)C1CCN(C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001257850692 1044220643 /nfs/dbraw/zinc/22/06/43/1044220643.db2.gz DSRXOHYOIGFMRU-XEWABKELSA-N 1 3 377.573 3.581 20 0 GHADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+]C1CCN(CC(C)C)CC1 ZINC001258005988 1044331957 /nfs/dbraw/zinc/33/19/57/1044331957.db2.gz BBMPSFXMBWKXCF-QPPBQGQZSA-N 1 3 385.596 3.523 20 0 GHADHO CCCN(CCNC1CC[NH+](CCc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001258136049 1044420425 /nfs/dbraw/zinc/42/04/25/1044420425.db2.gz YUNBMRWHCHMTJE-UHFFFAOYSA-N 1 3 389.584 3.930 20 0 GHADHO COC(=O)[C@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001258149288 1044439445 /nfs/dbraw/zinc/43/94/45/1044439445.db2.gz HYPRODJVDQXKEP-ZEQRLZLVSA-N 1 3 392.543 3.582 20 0 GHADHO CCC[NH+]1CCC(N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001258775343 1044759104 /nfs/dbraw/zinc/75/91/04/1044759104.db2.gz LBYQIXJGSIZPBQ-HXUWFJFHSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC001294967574 1044855456 /nfs/dbraw/zinc/85/54/56/1044855456.db2.gz UGLQEJAQGRXQBC-DEXHYYOUSA-N 1 3 383.580 3.522 20 0 GHADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC001294967574 1044855478 /nfs/dbraw/zinc/85/54/78/1044855478.db2.gz UGLQEJAQGRXQBC-DEXHYYOUSA-N 1 3 383.580 3.522 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001301866175 1046734172 /nfs/dbraw/zinc/73/41/72/1046734172.db2.gz AFIWGCOUKCMDNH-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO C[N@@H+](Cc1ccc(Br)cc1N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382799069 1047062736 /nfs/dbraw/zinc/06/27/36/1047062736.db2.gz ZSKGFEVPUQDAIK-KRWDZBQOSA-N 1 3 388.353 3.985 20 0 GHADHO C[N@H+](Cc1ccc(Br)cc1N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382799069 1047062746 /nfs/dbraw/zinc/06/27/46/1047062746.db2.gz ZSKGFEVPUQDAIK-KRWDZBQOSA-N 1 3 388.353 3.985 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000390775293 1047512664 /nfs/dbraw/zinc/51/26/64/1047512664.db2.gz OBVRKWXJZCKVKJ-KSEOMHKRSA-N 1 3 399.579 3.886 20 0 GHADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4ccc(Cl)s4)C[C@H]3CC2)n(C)n1 ZINC001279334669 1047772518 /nfs/dbraw/zinc/77/25/18/1047772518.db2.gz GFPWDRHIYPLYDH-IYBDPMFKSA-N 1 3 378.973 3.787 20 0 GHADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4ccc(Cl)s4)C[C@H]3CC2)n(C)n1 ZINC001279334669 1047772526 /nfs/dbraw/zinc/77/25/26/1047772526.db2.gz GFPWDRHIYPLYDH-IYBDPMFKSA-N 1 3 378.973 3.787 20 0 GHADHO C[C@@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 ZINC001307508314 1049350762 /nfs/dbraw/zinc/35/07/62/1049350762.db2.gz SSZXKASWPVWSKI-IRLDBZIGSA-N 1 3 385.596 3.773 20 0 GHADHO CC1CC[NH+](CC[C@@H]2CCCN2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC001308003935 1049752487 /nfs/dbraw/zinc/75/24/87/1049752487.db2.gz YZHNCTLKXLWUID-QHCPKHFHSA-N 1 3 383.580 3.548 20 0 GHADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC001308003935 1049752501 /nfs/dbraw/zinc/75/25/01/1049752501.db2.gz YZHNCTLKXLWUID-QHCPKHFHSA-N 1 3 383.580 3.548 20 0 GHADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC001308003935 1049752511 /nfs/dbraw/zinc/75/25/11/1049752511.db2.gz YZHNCTLKXLWUID-QHCPKHFHSA-N 1 3 383.580 3.548 20 0 GHADHO C[C@@H]1CN(C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308039095 1049790092 /nfs/dbraw/zinc/79/00/92/1049790092.db2.gz CVAYOBCPBLTDTQ-MOPGFXCFSA-N 1 3 388.556 3.629 20 0 GHADHO CC1([NH+]2CCCCC2)CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001308056451 1049804102 /nfs/dbraw/zinc/80/41/02/1049804102.db2.gz MVWBJXOENSQLJX-HSZRJFAPSA-N 1 3 385.596 3.618 20 0 GHADHO CC1CC[NH+](CCCNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001308184615 1049904216 /nfs/dbraw/zinc/90/42/16/1049904216.db2.gz NRLYEYZKJXXSHD-OAHLLOKOSA-N 1 3 381.483 3.544 20 0 GHADHO CC1CCN(CCC[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001308184615 1049904220 /nfs/dbraw/zinc/90/42/20/1049904220.db2.gz NRLYEYZKJXXSHD-OAHLLOKOSA-N 1 3 381.483 3.544 20 0 GHADHO O=c1[nH]c2ccccc2cc1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001308267375 1049931338 /nfs/dbraw/zinc/93/13/38/1049931338.db2.gz RIMALQGZKLCDTN-UHFFFAOYSA-N 1 3 377.488 3.705 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)CCN(Cc2ccccc2)C1 ZINC001308565846 1050012106 /nfs/dbraw/zinc/01/21/06/1050012106.db2.gz UHCXPKWBBAGUMF-ZCYQVOJMSA-N 1 3 399.623 3.579 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)CCN(Cc2ccccc2)C1 ZINC001308565846 1050012115 /nfs/dbraw/zinc/01/21/15/1050012115.db2.gz UHCXPKWBBAGUMF-ZCYQVOJMSA-N 1 3 399.623 3.579 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)c1ccccc1 ZINC001335468256 1052111556 /nfs/dbraw/zinc/11/15/56/1052111556.db2.gz CXKJSWCKBPGJFH-STAYPELNSA-N 1 3 394.559 3.678 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001311568959 1052252582 /nfs/dbraw/zinc/25/25/82/1052252582.db2.gz IEAXGPNVRJWOPF-YADHBBJMSA-N 1 3 388.600 3.806 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001311568959 1052252589 /nfs/dbraw/zinc/25/25/89/1052252589.db2.gz IEAXGPNVRJWOPF-YADHBBJMSA-N 1 3 388.600 3.806 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)N(C)C)cc1 ZINC001311572395 1052255229 /nfs/dbraw/zinc/25/52/29/1052255229.db2.gz RZPULRMMNSUSQQ-XZOQPEGZSA-N 1 3 396.579 3.762 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001311641617 1052294877 /nfs/dbraw/zinc/29/48/77/1052294877.db2.gz XLQIRGXKOLLPRH-KNQAVFIVSA-N 1 3 388.600 3.661 20 0 GHADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001336749691 1052322305 /nfs/dbraw/zinc/32/23/05/1052322305.db2.gz HSRPHJGQHCZNCJ-FQEVSTJZSA-N 1 3 394.346 3.924 20 0 GHADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC[C@H]1CCCCN1C1CC1 ZINC001311765599 1052382694 /nfs/dbraw/zinc/38/26/94/1052382694.db2.gz NHKRFMXXFQEBTL-HSZRJFAPSA-N 1 3 398.595 3.879 20 0 GHADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001312818728 1052881396 /nfs/dbraw/zinc/88/13/96/1052881396.db2.gz ODJDSOMIXJKPDO-IRLDBZIGSA-N 1 3 388.600 3.519 20 0 GHADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001312818728 1052881400 /nfs/dbraw/zinc/88/14/00/1052881400.db2.gz ODJDSOMIXJKPDO-IRLDBZIGSA-N 1 3 388.600 3.519 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001312998103 1052929850 /nfs/dbraw/zinc/92/98/50/1052929850.db2.gz GEXXIWJHHJWHMU-BHDDXSALSA-N 1 3 398.595 3.555 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001312998103 1052929852 /nfs/dbraw/zinc/92/98/52/1052929852.db2.gz GEXXIWJHHJWHMU-BHDDXSALSA-N 1 3 398.595 3.555 20 0 GHADHO C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001319959014 1055563720 /nfs/dbraw/zinc/56/37/20/1055563720.db2.gz BNXHFXFPPCKOBR-YPIGPJMWSA-N 1 3 383.580 3.525 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039218 1057268626 /nfs/dbraw/zinc/26/86/26/1057268626.db2.gz PENLWADJFLKLRO-JXFKEZNVSA-N 1 3 375.463 3.726 20 0 GHADHO C[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)Sc1ccccc1 ZINC000849093002 1057591218 /nfs/dbraw/zinc/59/12/18/1057591218.db2.gz NVENKHKULKCVQM-SFHVURJKSA-N 1 3 382.577 3.946 20 0 GHADHO C[S@](=O)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1 ZINC001327211098 1057622302 /nfs/dbraw/zinc/62/23/02/1057622302.db2.gz VHZAUXYBVAMZSD-IDISGSTGSA-N 1 3 382.573 3.816 20 0 GHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3ccccc3N3CCN(C)CC3)CC2)C1 ZINC001340530658 1059965855 /nfs/dbraw/zinc/96/58/55/1059965855.db2.gz YZQMERDCGJYPTN-NZQKXSOJSA-N 1 3 384.612 3.571 20 0 GHADHO C[NH+](C)CCOc1ccc(CCNCc2c(F)cccc2Br)cc1 ZINC001200334620 1065943749 /nfs/dbraw/zinc/94/37/49/1065943749.db2.gz UQDNINYSRNNTSC-UHFFFAOYSA-N 1 3 395.316 3.861 20 0 GHADHO C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC001357403479 1067084563 /nfs/dbraw/zinc/08/45/63/1067084563.db2.gz DIQLOYQMKKAXPE-LPHOPBHVSA-N 1 3 383.561 3.519 20 0 GHADHO C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CNCC3)CC[N@H+]1Cc1ccccc1 ZINC001357403479 1067084583 /nfs/dbraw/zinc/08/45/83/1067084583.db2.gz DIQLOYQMKKAXPE-LPHOPBHVSA-N 1 3 383.561 3.519 20 0 GHADHO [NH2+]=C(NCC1(Cc2ccccc2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849105655 1067730830 /nfs/dbraw/zinc/73/08/30/1067730830.db2.gz ZOTOKUXJPLVCQL-UHFFFAOYSA-N 1 3 376.548 3.788 20 0 GHADHO CC(C)(C)OC(=O)c1ccccc1OCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC001460304015 1068916125 /nfs/dbraw/zinc/91/61/25/1068916125.db2.gz ICTUQUWRBQCNNY-UHFFFAOYSA-N 1 3 397.519 3.628 20 0 GHADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Br)cc(Br)c3)[C@H]2C1 ZINC001474302871 1074331431 /nfs/dbraw/zinc/33/14/31/1074331431.db2.gz JCDGBUNPVHFTLN-CQDKDKBSSA-N 1 3 388.147 3.641 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585793 607808371 /nfs/dbraw/zinc/80/83/71/607808371.db2.gz UDFWTKKLXJVOCQ-CMKODMSKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585793 607808372 /nfs/dbraw/zinc/80/83/72/607808372.db2.gz UDFWTKKLXJVOCQ-CMKODMSKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585793 607808373 /nfs/dbraw/zinc/80/83/73/607808373.db2.gz UDFWTKKLXJVOCQ-CMKODMSKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585793 607808374 /nfs/dbraw/zinc/80/83/74/607808374.db2.gz UDFWTKKLXJVOCQ-CMKODMSKSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@@H](NC1(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CCCC1)c1ccccc1 ZINC000655725976 837753285 /nfs/dbraw/zinc/75/32/85/837753285.db2.gz OSZCHESSXKXARO-NFBKMPQASA-N 1 3 385.596 3.883 20 0 GHADHO CCCN(C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000511252428 834520522 /nfs/dbraw/zinc/52/05/22/834520522.db2.gz LEHGFZNAXNEJEF-NFBKMPQASA-N 1 3 398.595 3.723 20 0 GHADHO CCCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000511252428 834520530 /nfs/dbraw/zinc/52/05/30/834520530.db2.gz LEHGFZNAXNEJEF-NFBKMPQASA-N 1 3 398.595 3.723 20 0 GHADHO CCCOc1c(Cl)cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650705546 834524288 /nfs/dbraw/zinc/52/42/88/834524288.db2.gz LCSILVHJHRYOMM-JENIJYKNSA-N 1 3 396.959 3.856 20 0 GHADHO C[C@@H]1C[NH+](CCOc2ccc(CCN[C@@H]3CCCn4ccnc43)cc2)C[C@H]1C ZINC000655739040 837786091 /nfs/dbraw/zinc/78/60/91/837786091.db2.gz USTRBVFWDLWPSB-WOIUINJBSA-N 1 3 382.552 3.517 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OCC(C)C ZINC000650722481 834689696 /nfs/dbraw/zinc/68/96/96/834689696.db2.gz VJKFGFYPZIICLN-QKNQBKEWSA-N 1 3 376.541 3.591 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)[C@@H]3c3cccs3)CC2)CC1 ZINC000583702889 834897506 /nfs/dbraw/zinc/89/75/06/834897506.db2.gz HVAPZWVLYXXADW-FQEVSTJZSA-N 1 3 389.609 3.854 20 0 GHADHO CC[NH+](CC)C1CCN(CCCN2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001167061971 834964629 /nfs/dbraw/zinc/96/46/29/834964629.db2.gz FTKRIJJMPHWZPS-UHFFFAOYSA-N 1 3 393.019 3.658 20 0 GHADHO O=c1[nH]c2ccccc2n1CCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000685606099 835218152 /nfs/dbraw/zinc/21/81/52/835218152.db2.gz NJHFEXIDLBTHOP-LEWJYISDSA-N 1 3 390.531 3.586 20 0 GHADHO O=c1[nH]c2ccccc2n1CCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000685606099 835218155 /nfs/dbraw/zinc/21/81/55/835218155.db2.gz NJHFEXIDLBTHOP-LEWJYISDSA-N 1 3 390.531 3.586 20 0 GHADHO c1sc(-c2ccc3c(c2)OCO3)nc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812383 835328384 /nfs/dbraw/zinc/32/83/84/835328384.db2.gz AHQIJBAVCGYFOH-UHFFFAOYSA-N 1 3 385.533 3.750 20 0 GHADHO C[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCN1Cc1ccccc1 ZINC000433364348 844053272 /nfs/dbraw/zinc/05/32/72/844053272.db2.gz JMBRFQHQSBWYRL-OFNKIYASSA-N 1 3 379.548 3.802 20 0 GHADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168792 835482801 /nfs/dbraw/zinc/48/28/01/835482801.db2.gz YVGJFICTNXFUBK-IBGZPJMESA-N 1 3 394.563 3.863 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3CC3CCCC3)CC2)CC1 ZINC000655363695 835647711 /nfs/dbraw/zinc/64/77/11/835647711.db2.gz QVLWZYFGBSTNIE-QFIPXVFZSA-N 1 3 375.601 3.754 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCC4)[C@@H]3c3ccccc3)CC2)CC1 ZINC000584123137 835663348 /nfs/dbraw/zinc/66/33/48/835663348.db2.gz MNOWMYQPMVEMMI-QHCPKHFHSA-N 1 3 395.591 3.937 20 0 GHADHO C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274862623 835705855 /nfs/dbraw/zinc/70/58/55/835705855.db2.gz DDEIUXTUWBMGLX-UGKGYDQZSA-N 1 3 395.547 3.640 20 0 GHADHO Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)n1 ZINC000180165914 836101153 /nfs/dbraw/zinc/10/11/53/836101153.db2.gz DFKMDWMYLQRBLU-OEMFJLHTSA-N 1 3 390.575 3.859 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000177291264 836262978 /nfs/dbraw/zinc/26/29/78/836262978.db2.gz PVYYOIXBDGNDDX-HXUWFJFHSA-N 1 3 387.568 3.540 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000509897722 844149319 /nfs/dbraw/zinc/14/93/19/844149319.db2.gz HGYYPTJWFSCYRE-KRWDZBQOSA-N 1 3 379.504 3.796 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000509897722 844149324 /nfs/dbraw/zinc/14/93/24/844149324.db2.gz HGYYPTJWFSCYRE-KRWDZBQOSA-N 1 3 379.504 3.796 20 0 GHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000155197950 836562242 /nfs/dbraw/zinc/56/22/42/836562242.db2.gz GWYQEMNGNKQAQR-LJQANCHMSA-N 1 3 392.547 3.633 20 0 GHADHO C[C@@H]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000174869817 836578983 /nfs/dbraw/zinc/57/89/83/836578983.db2.gz XCZUIHLUQKWTBY-LJQANCHMSA-N 1 3 380.536 3.877 20 0 GHADHO C[NH+](C)[C@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)c1ccccc1 ZINC000431720856 837112541 /nfs/dbraw/zinc/11/25/41/837112541.db2.gz DVQJHGMUSNFDIS-JOCHJYFZSA-N 1 3 379.548 3.633 20 0 GHADHO CCN(CC)[C@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)c1ccccc1Cl ZINC000549760297 844241223 /nfs/dbraw/zinc/24/12/23/844241223.db2.gz UOXZMRKYQBZOKC-HXUWFJFHSA-N 1 3 388.943 3.610 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659030398 837310876 /nfs/dbraw/zinc/31/08/76/837310876.db2.gz GOZIZNAKIRWHLD-JOCHJYFZSA-N 1 3 396.535 3.509 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659030398 837310890 /nfs/dbraw/zinc/31/08/90/837310890.db2.gz GOZIZNAKIRWHLD-JOCHJYFZSA-N 1 3 396.535 3.509 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000659031178 837316196 /nfs/dbraw/zinc/31/61/96/837316196.db2.gz KUVXCGKIGDLZID-QFIPXVFZSA-N 1 3 396.535 3.511 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659286277 838205069 /nfs/dbraw/zinc/20/50/69/838205069.db2.gz WSWNYDVVALJUJF-NRFANRHFSA-N 1 3 381.545 3.717 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000533740594 838258516 /nfs/dbraw/zinc/25/85/16/838258516.db2.gz NBUIDNWQQSUYTP-WHLCRQNOSA-N 1 3 399.604 3.807 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000415909919 838266522 /nfs/dbraw/zinc/26/65/22/838266522.db2.gz UURBCRZRKHSQCJ-IBGZPJMESA-N 1 3 380.536 3.924 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415994184 838369890 /nfs/dbraw/zinc/36/98/90/838369890.db2.gz HEHNHFCTBQMRRC-UHFFFAOYSA-N 1 3 378.520 3.666 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415994184 838369895 /nfs/dbraw/zinc/36/98/95/838369895.db2.gz HEHNHFCTBQMRRC-UHFFFAOYSA-N 1 3 378.520 3.666 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000378302338 838821411 /nfs/dbraw/zinc/82/14/11/838821411.db2.gz XDFBBSIPKZAOTM-UHFFFAOYSA-N 1 3 391.559 3.877 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000378302338 838821420 /nfs/dbraw/zinc/82/14/20/838821420.db2.gz XDFBBSIPKZAOTM-UHFFFAOYSA-N 1 3 391.559 3.877 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000580115814 838891518 /nfs/dbraw/zinc/89/15/18/838891518.db2.gz YIYFCHXJTUTQDV-JOCHJYFZSA-N 1 3 383.536 3.568 20 0 GHADHO FC(F)(F)c1ccn(-c2ccc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000415059079 839130380 /nfs/dbraw/zinc/13/03/80/839130380.db2.gz WNGCSGOGUQUSCC-SJLPKXTDSA-N 1 3 378.442 3.855 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000415074224 839171932 /nfs/dbraw/zinc/17/19/32/839171932.db2.gz ZWVROQDQMSKEMA-KRWDZBQOSA-N 1 3 398.576 3.619 20 0 GHADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000415101032 839205394 /nfs/dbraw/zinc/20/53/94/839205394.db2.gz BLHPOXBEPFGEFB-CTNGQTDRSA-N 1 3 377.960 3.659 20 0 GHADHO CCOc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OCC(C)C ZINC000415118856 839230916 /nfs/dbraw/zinc/23/09/16/839230916.db2.gz DPVVFQHBTBHTLL-UNMCSNQZSA-N 1 3 390.568 3.838 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1)C1CC1 ZINC000511561446 839319909 /nfs/dbraw/zinc/31/99/09/839319909.db2.gz PUAYDWNOGLOVQR-JOCHJYFZSA-N 1 3 377.532 3.675 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1)C1CC1 ZINC000511561446 839319923 /nfs/dbraw/zinc/31/99/23/839319923.db2.gz PUAYDWNOGLOVQR-JOCHJYFZSA-N 1 3 377.532 3.675 20 0 GHADHO FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000312855514 839573706 /nfs/dbraw/zinc/57/37/06/839573706.db2.gz GXILCWZXTLZRNT-IBGZPJMESA-N 1 3 383.502 3.905 20 0 GHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001167442908 840604931 /nfs/dbraw/zinc/60/49/31/840604931.db2.gz JLDKBRZNJSQTAL-VXKWHMMOSA-N 1 3 379.633 3.852 20 0 GHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001167442908 840604937 /nfs/dbraw/zinc/60/49/37/840604937.db2.gz JLDKBRZNJSQTAL-VXKWHMMOSA-N 1 3 379.633 3.852 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@H](C)C3)CC2)CC1 ZINC000581141519 840778516 /nfs/dbraw/zinc/77/85/16/840778516.db2.gz YHUMCYVPHKPOAR-HYBUGGRVSA-N 1 3 397.607 3.835 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373265 840862748 /nfs/dbraw/zinc/86/27/48/840862748.db2.gz OPFCBRHPDFQBPP-YLJYHZDGSA-N 1 3 389.337 3.594 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373265 840862763 /nfs/dbraw/zinc/86/27/63/840862763.db2.gz OPFCBRHPDFQBPP-YLJYHZDGSA-N 1 3 389.337 3.594 20 0 GHADHO COC(=O)c1csc(-c2cccc(C[NH2+]C3CCN(CC4CC4)CC3)c2)n1 ZINC000581285342 841012162 /nfs/dbraw/zinc/01/21/62/841012162.db2.gz PLHFJSKVIKVTCH-UHFFFAOYSA-N 1 3 385.533 3.561 20 0 GHADHO O=C1Nc2ccccc2S[C@@H]1CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660679222 841084520 /nfs/dbraw/zinc/08/45/20/841084520.db2.gz JQVGBYWSIGZVLA-OAQYLSRUSA-N 1 3 381.545 3.744 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000107700703 841425642 /nfs/dbraw/zinc/42/56/42/841425642.db2.gz MJVDKIODBSPPMJ-QFIPXVFZSA-N 1 3 382.552 3.631 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073458969 841614700 /nfs/dbraw/zinc/61/47/00/841614700.db2.gz WIVWPGPLYPAZFP-HSZRJFAPSA-N 1 3 377.532 3.849 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000661411628 841719896 /nfs/dbraw/zinc/71/98/96/841719896.db2.gz ZNAFIFLORBXDKB-OAQYLSRUSA-N 1 3 398.595 3.557 20 0 GHADHO CCC1(CNCc2ncc(CN(C)C)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000512052953 842339544 /nfs/dbraw/zinc/33/95/44/842339544.db2.gz NXCABTFUPWPVTG-UHFFFAOYSA-N 1 3 386.609 3.987 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)CNC2CC[NH+](C(C)C)CC2)c2ccccc2)cc1 ZINC000581879522 842366518 /nfs/dbraw/zinc/36/65/18/842366518.db2.gz NDNUGAWSSMLCML-JWQCQUIFSA-N 1 3 396.575 3.924 20 0 GHADHO COc1cc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1OC(C)C ZINC000512181828 842800985 /nfs/dbraw/zinc/80/09/85/842800985.db2.gz QLIIFHIWPFMRRW-OALUTQOASA-N 1 3 390.568 3.804 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544818 842938785 /nfs/dbraw/zinc/93/87/85/842938785.db2.gz JMCJKEPQWQTKBQ-SEIRJHJZSA-N 1 3 398.595 3.774 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544818 842938796 /nfs/dbraw/zinc/93/87/96/842938796.db2.gz JMCJKEPQWQTKBQ-SEIRJHJZSA-N 1 3 398.595 3.774 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606690727 842954091 /nfs/dbraw/zinc/95/40/91/842954091.db2.gz KMEYPDRURCRUMS-GOTSBHOMSA-N 1 3 398.595 3.874 20 0 GHADHO C[C@@H]1CCCN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1CCC[NH3+] ZINC000662314131 843133501 /nfs/dbraw/zinc/13/35/01/843133501.db2.gz NBNUQOPTZYGVGU-IUODEOHRSA-N 1 3 389.874 3.719 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNC(=O)c3cc4c(s3)CCNC4)c2)CC1 ZINC000662435972 843240780 /nfs/dbraw/zinc/24/07/80/843240780.db2.gz ILVFOQAOBOLGTA-UHFFFAOYSA-N 1 3 383.561 3.556 20 0 GHADHO O=C(CC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)Nc1ccccc1 ZINC000663368861 843337957 /nfs/dbraw/zinc/33/79/57/843337957.db2.gz PXMKDJFQWWFWRC-NRFANRHFSA-N 1 3 377.532 3.907 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662503880 843349684 /nfs/dbraw/zinc/34/96/84/843349684.db2.gz XPQNUIUKCAKXGS-NHTMILBNSA-N 1 3 389.543 3.734 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503880 843349693 /nfs/dbraw/zinc/34/96/93/843349693.db2.gz XPQNUIUKCAKXGS-NHTMILBNSA-N 1 3 389.543 3.734 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000165298373 843357006 /nfs/dbraw/zinc/35/70/06/843357006.db2.gz IJOLCHHKJZWWAY-TZIWHRDSSA-N 1 3 393.531 3.858 20 0 GHADHO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431026068 843444781 /nfs/dbraw/zinc/44/47/81/843444781.db2.gz DCSBTZXFDVQXOW-OAQYLSRUSA-N 1 3 383.580 3.723 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418657837 843507159 /nfs/dbraw/zinc/50/71/59/843507159.db2.gz INUAABJWYUPWCT-OFNKIYASSA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000162945585 843550535 /nfs/dbraw/zinc/55/05/35/843550535.db2.gz PXUKUHLGCMVSRE-OXQOHEQNSA-N 1 3 396.453 3.728 20 0 GHADHO C[C@H](CCc1ccccc1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512411305 843722765 /nfs/dbraw/zinc/72/27/65/843722765.db2.gz XJOSNPWCIQGVTA-RCZVLFRGSA-N 1 3 377.576 3.900 20 0 GHADHO C[C@H](CCc1ccccc1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512411305 843722775 /nfs/dbraw/zinc/72/27/75/843722775.db2.gz XJOSNPWCIQGVTA-RCZVLFRGSA-N 1 3 377.576 3.900 20 0 GHADHO CN(CCc1ccccc1)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000052000254 843825293 /nfs/dbraw/zinc/82/52/93/843825293.db2.gz XMVBLTWPNBHORX-UHFFFAOYSA-N 1 3 399.966 3.595 20 0 GHADHO C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000500727267 843894569 /nfs/dbraw/zinc/89/45/69/843894569.db2.gz AZVBYEFOZYUBCE-FPOVZHCZSA-N 1 3 398.595 3.523 20 0 GHADHO Cc1noc(C[C@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc2)n1 ZINC000277126135 844710101 /nfs/dbraw/zinc/71/01/01/844710101.db2.gz NZXWBSUSVFRXBU-JTSKRJEESA-N 1 3 394.519 3.953 20 0 GHADHO CN(CCNC(=O)C1CC[NH+]([C@@H]2C=CCCCCC2)CC1)Cc1ccccc1 ZINC000549866435 844732707 /nfs/dbraw/zinc/73/27/07/844732707.db2.gz VZUMCLXJYXISRG-HSZRJFAPSA-N 1 3 383.580 3.836 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)NCc1ccccc1 ZINC000512668288 844974359 /nfs/dbraw/zinc/97/43/59/844974359.db2.gz UISQLGWLMRJEOA-WXFUMESZSA-N 1 3 391.559 3.583 20 0 GHADHO C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000236661201 845168744 /nfs/dbraw/zinc/16/87/44/845168744.db2.gz IUVHFJLXBYKPHE-YFVAEKQCSA-N 1 3 385.577 3.973 20 0 GHADHO C[C@H](NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000179395440 861562762 /nfs/dbraw/zinc/56/27/62/861562762.db2.gz DEDCOCHDPRRNFS-KRWDZBQOSA-N 1 3 386.565 3.559 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@@H](C)C1 ZINC000249300399 845533152 /nfs/dbraw/zinc/53/31/52/845533152.db2.gz NKQIHRULUSSMOK-HTAPYJJXSA-N 1 3 398.547 3.508 20 0 GHADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000179509318 861608417 /nfs/dbraw/zinc/60/84/17/861608417.db2.gz PXKVVDLVCMJKAC-AWEZNQCLSA-N 1 3 383.414 3.771 20 0 GHADHO Cc1nn(C(C)C)c(C)c1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000892150409 846069654 /nfs/dbraw/zinc/06/96/54/846069654.db2.gz LYOPHLISUUGPIZ-UHFFFAOYSA-N 1 3 389.632 3.709 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657312505 846070275 /nfs/dbraw/zinc/07/02/75/846070275.db2.gz KQPWRAKCBZUCES-UHFFFAOYSA-N 1 3 380.561 3.724 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3cccc(C4CC4)c3)c2)C1 ZINC000421365218 846178009 /nfs/dbraw/zinc/17/80/09/846178009.db2.gz QLRBTDDSMVZWTQ-QHCPKHFHSA-N 1 3 377.532 3.551 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc(C4CC4)c3)c2)C1 ZINC000421365218 846178017 /nfs/dbraw/zinc/17/80/17/846178017.db2.gz QLRBTDDSMVZWTQ-QHCPKHFHSA-N 1 3 377.532 3.551 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(C/C(C)=C\c3ccccc3COC)CC2)CC1 ZINC000421373386 846184196 /nfs/dbraw/zinc/18/41/96/846184196.db2.gz MKFYMFDPNPQEDR-UZYVYHOESA-N 1 3 385.596 3.728 20 0 GHADHO CCN1CCC([N@H+]2CCCN(C/C(C)=C\c3ccccc3COC)CC2)CC1 ZINC000421373386 846184198 /nfs/dbraw/zinc/18/41/98/846184198.db2.gz MKFYMFDPNPQEDR-UZYVYHOESA-N 1 3 385.596 3.728 20 0 GHADHO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000502768924 846450052 /nfs/dbraw/zinc/45/00/52/846450052.db2.gz SLMHMOMGKMMPRM-KOENEWCDSA-N 1 3 398.595 3.603 20 0 GHADHO CCCOc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1OC ZINC000414548716 846508931 /nfs/dbraw/zinc/50/89/31/846508931.db2.gz KAXPMOAKGDBCNX-UHFFFAOYSA-N 1 3 398.547 3.601 20 0 GHADHO O[C@H](CCc1ccccc1)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554593 846608582 /nfs/dbraw/zinc/60/85/82/846608582.db2.gz RIUBBPAFWWLDNH-RPBOFIJWSA-N 1 3 378.560 3.968 20 0 GHADHO O[C@H](CCc1ccccc1)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554593 846608591 /nfs/dbraw/zinc/60/85/91/846608591.db2.gz RIUBBPAFWWLDNH-RPBOFIJWSA-N 1 3 378.560 3.968 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cccc(C3CCCC3)c2)cc1 ZINC000657366651 846621147 /nfs/dbraw/zinc/62/11/47/846621147.db2.gz IZTAQUTYAXTAON-UHFFFAOYSA-N 1 3 379.548 3.925 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501150357 846698687 /nfs/dbraw/zinc/69/86/87/846698687.db2.gz LNXGLYKDSTWESV-HKUYNNGSSA-N 1 3 380.602 3.695 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501150357 846698691 /nfs/dbraw/zinc/69/86/91/846698691.db2.gz LNXGLYKDSTWESV-HKUYNNGSSA-N 1 3 380.602 3.695 20 0 GHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@@H](C)C1 ZINC000503031036 846732479 /nfs/dbraw/zinc/73/24/79/846732479.db2.gz IBAWYBMDQPJPBL-XHDPSFHLSA-N 1 3 392.712 3.765 20 0 GHADHO Cc1cc(NC(=O)c2ccccc2CN(C)C)ccc1OCC[NH+]1CCCC1 ZINC000582336152 846893938 /nfs/dbraw/zinc/89/39/38/846893938.db2.gz DFUZFTPYXJZDOS-UHFFFAOYSA-N 1 3 381.520 3.784 20 0 GHADHO C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272552337 847108841 /nfs/dbraw/zinc/10/88/41/847108841.db2.gz FLSTVNIQQDATOQ-YKSBVNFPSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552337 847108847 /nfs/dbraw/zinc/10/88/47/847108847.db2.gz FLSTVNIQQDATOQ-YKSBVNFPSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272552337 847108849 /nfs/dbraw/zinc/10/88/49/847108849.db2.gz FLSTVNIQQDATOQ-YKSBVNFPSA-N 1 3 391.559 3.809 20 0 GHADHO COc1ccc(C[C@@H](C)CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1F ZINC000273766217 847437986 /nfs/dbraw/zinc/43/79/86/847437986.db2.gz QRXFTRCNQZNADH-LJQANCHMSA-N 1 3 391.575 3.503 20 0 GHADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000582544517 847528540 /nfs/dbraw/zinc/52/85/40/847528540.db2.gz REKXXHVWVAOVEK-WMZOPIPTSA-N 1 3 399.501 3.621 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(OCC(F)(F)F)c3)CC2)CC1 ZINC000420984055 847590714 /nfs/dbraw/zinc/59/07/14/847590714.db2.gz SAQQNWGMMSMYAG-UHFFFAOYSA-N 1 3 399.501 3.620 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(OCC(F)(F)F)c3)CC2)CC1 ZINC000420984055 847590722 /nfs/dbraw/zinc/59/07/22/847590722.db2.gz SAQQNWGMMSMYAG-UHFFFAOYSA-N 1 3 399.501 3.620 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3c(C)cc(C)c(C(C)=O)c3C)CC2)CC1 ZINC000421019324 847641060 /nfs/dbraw/zinc/64/10/60/847641060.db2.gz XSBFLAVTAXSMDH-UHFFFAOYSA-N 1 3 385.596 3.806 20 0 GHADHO COc1ccc([C@@H](NC2CCN(Cc3ccc(F)cc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422725493 847798880 /nfs/dbraw/zinc/79/88/80/847798880.db2.gz YCTLIWUAZPYTHQ-BJKOFHAPSA-N 1 3 397.538 3.882 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)Oc1cccc(Br)c1 ZINC000422799232 847827814 /nfs/dbraw/zinc/82/78/14/847827814.db2.gz VVCHQYYGQNTJQR-CHWSQXEVSA-N 1 3 378.314 3.729 20 0 GHADHO Cc1ccc([C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)o1 ZINC000422875045 847876915 /nfs/dbraw/zinc/87/69/15/847876915.db2.gz BKPAXEXDTPDRTM-QTEQDKRBSA-N 1 3 381.520 3.570 20 0 GHADHO CCOC(=O)C1([C@@H](C)N[C@H](c2ccccc2)c2ccccc2OC)CC[NH2+]CC1 ZINC000422961365 847916549 /nfs/dbraw/zinc/91/65/49/847916549.db2.gz YYIZLAOGJIZBKK-XMSQKQJNSA-N 1 3 396.531 3.696 20 0 GHADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@@H](N)c4ccccc43)nc12 ZINC000423035147 847948884 /nfs/dbraw/zinc/94/88/84/847948884.db2.gz JAUBBLVBDIKLLF-QZTJIDSGSA-N 1 3 385.309 3.682 20 0 GHADHO Brc1cccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423091129 847975461 /nfs/dbraw/zinc/97/54/61/847975461.db2.gz WSIUYQIJCXBESW-JCHJZTRSSA-N 1 3 378.358 3.538 20 0 GHADHO COc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc2ccccc21 ZINC000657595254 848288350 /nfs/dbraw/zinc/28/83/50/848288350.db2.gz GBBDRMBHBNDCBC-QFIPXVFZSA-N 1 3 376.500 3.705 20 0 GHADHO COc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc2ccccc21 ZINC000657595254 848288359 /nfs/dbraw/zinc/28/83/59/848288359.db2.gz GBBDRMBHBNDCBC-QFIPXVFZSA-N 1 3 376.500 3.705 20 0 GHADHO FC(F)(F)Oc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657612803 848328512 /nfs/dbraw/zinc/32/85/12/848328512.db2.gz SCOMPELBCHGKDG-UHFFFAOYSA-N 1 3 379.426 3.982 20 0 GHADHO Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613958 848341487 /nfs/dbraw/zinc/34/14/87/848341487.db2.gz ZAOREVFAELETFX-UHFFFAOYSA-N 1 3 397.473 3.752 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180015047 861904609 /nfs/dbraw/zinc/90/46/09/861904609.db2.gz MSDVDYDTSXBFQL-LJQANCHMSA-N 1 3 380.374 3.517 20 0 GHADHO CC(C)[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000604193864 861959247 /nfs/dbraw/zinc/95/92/47/861959247.db2.gz ZOPCWMSQCTWFDZ-YADHBBJMSA-N 1 3 386.584 3.633 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423128088 849751231 /nfs/dbraw/zinc/75/12/31/849751231.db2.gz UYYYIQZUMWEXTF-LBPRGKRZSA-N 1 3 387.325 3.986 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414853129 849756458 /nfs/dbraw/zinc/75/64/58/849756458.db2.gz RWLAUCLWYKYTIA-SUMWQHHRSA-N 1 3 382.346 3.663 20 0 GHADHO [NH3+][C@H]1CCCCC[C@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423183011 849775385 /nfs/dbraw/zinc/77/53/85/849775385.db2.gz MHBORDZYBDRAQZ-RBUKOAKNSA-N 1 3 380.374 3.663 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)Nc3ccc([C@@H](C)[NH3+])cc3)c(C)c2)CC1 ZINC000414756280 850024702 /nfs/dbraw/zinc/02/47/02/850024702.db2.gz VFEKOJGDFVNBLU-QGZVFWFLSA-N 1 3 381.524 3.801 20 0 GHADHO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1O ZINC000415002864 850180471 /nfs/dbraw/zinc/18/04/71/850180471.db2.gz MOSKFTOKQQYFDS-LKUPVBHCSA-N 1 3 386.511 3.844 20 0 GHADHO COC[C@@H]1CCCN(Cc2cc(C[N@@H+]3CCC[C@H](COC)C3)ccc2F)C1 ZINC000297409740 850194075 /nfs/dbraw/zinc/19/40/75/850194075.db2.gz GHBLMTCWZOFFOI-VQTJNVASSA-N 1 3 378.532 3.543 20 0 GHADHO COC[C@@H]1CCCN(Cc2cc(C[N@H+]3CCC[C@H](COC)C3)ccc2F)C1 ZINC000297409740 850194079 /nfs/dbraw/zinc/19/40/79/850194079.db2.gz GHBLMTCWZOFFOI-VQTJNVASSA-N 1 3 378.532 3.543 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000486886193 850217634 /nfs/dbraw/zinc/21/76/34/850217634.db2.gz XJNOBALMRRAKON-SFHVURJKSA-N 1 3 393.522 3.510 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000486886193 850217643 /nfs/dbraw/zinc/21/76/43/850217643.db2.gz XJNOBALMRRAKON-SFHVURJKSA-N 1 3 393.522 3.510 20 0 GHADHO FC(F)(F)C(F)(F)COCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000514831630 850362201 /nfs/dbraw/zinc/36/22/01/850362201.db2.gz PBLUQKMPEMEOLD-IAGOWNOFSA-N 1 3 392.412 3.655 20 0 GHADHO FC(F)(F)C(F)(F)COCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000514831630 850362209 /nfs/dbraw/zinc/36/22/09/850362209.db2.gz PBLUQKMPEMEOLD-IAGOWNOFSA-N 1 3 392.412 3.655 20 0 GHADHO C[C@@H]1CC2(CN1Cc1nc(-c3cccc(Br)c3)c[nH]1)CC[NH2+]CC2 ZINC000424387986 850426726 /nfs/dbraw/zinc/42/67/26/850426726.db2.gz YTMSQJVKRTYBNV-CQSZACIVSA-N 1 3 389.341 3.803 20 0 GHADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000519081386 850605337 /nfs/dbraw/zinc/60/53/37/850605337.db2.gz YLDWSBFNBIFUGT-HSZRJFAPSA-N 1 3 379.548 3.906 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3CCC3CCCC3)CC2)CC1 ZINC000487667084 850819297 /nfs/dbraw/zinc/81/92/97/850819297.db2.gz NYQADWXMCHJRGI-JOCHJYFZSA-N 1 3 390.616 3.689 20 0 GHADHO C[NH+](C)Cc1cccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000505338317 850833043 /nfs/dbraw/zinc/83/30/43/850833043.db2.gz OLHWSVUFPRNPOL-HXUWFJFHSA-N 1 3 387.474 3.844 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccsc1 ZINC000487862987 850940634 /nfs/dbraw/zinc/94/06/34/850940634.db2.gz VEWPXBVKJIIQJG-YLJYHZDGSA-N 1 3 392.613 3.647 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccsc1 ZINC000487862987 850940637 /nfs/dbraw/zinc/94/06/37/850940637.db2.gz VEWPXBVKJIIQJG-YLJYHZDGSA-N 1 3 392.613 3.647 20 0 GHADHO CO[C@H](C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000513903218 850995405 /nfs/dbraw/zinc/99/54/05/850995405.db2.gz BRAJUUKRGOTXGL-XGHQBKJUSA-N 1 3 380.960 3.849 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000514236852 851442802 /nfs/dbraw/zinc/44/28/02/851442802.db2.gz ZGYVTYQSOHYMLB-SJBKTWHCSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000514236852 851442806 /nfs/dbraw/zinc/44/28/06/851442806.db2.gz ZGYVTYQSOHYMLB-SJBKTWHCSA-N 1 3 386.584 3.694 20 0 GHADHO Oc1cccc2sc(C[NH2+]Cc3ccccc3CN3CCC(O)CC3)cc21 ZINC000894316817 851994558 /nfs/dbraw/zinc/99/45/58/851994558.db2.gz HPCOUISCUWOAAT-UHFFFAOYSA-N 1 3 382.529 3.853 20 0 GHADHO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981666 852016796 /nfs/dbraw/zinc/01/67/96/852016796.db2.gz DKQPNDFQVLJCIB-SEBOWIOWSA-N 1 3 379.589 3.921 20 0 GHADHO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981666 852016806 /nfs/dbraw/zinc/01/68/06/852016806.db2.gz DKQPNDFQVLJCIB-SEBOWIOWSA-N 1 3 379.589 3.921 20 0 GHADHO CC(=O)NC1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000516032762 852089893 /nfs/dbraw/zinc/08/98/93/852089893.db2.gz COMFCFAELOCGDY-BKKLHLQPSA-N 1 3 383.580 3.714 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000506921254 852337826 /nfs/dbraw/zinc/33/78/26/852337826.db2.gz HRZPDOOCGFEZPL-YMPZKCBVSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000506921254 852337838 /nfs/dbraw/zinc/33/78/38/852337838.db2.gz HRZPDOOCGFEZPL-YMPZKCBVSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](c1ccccc1Br)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543522718 862436996 /nfs/dbraw/zinc/43/69/96/862436996.db2.gz PBIYKQRWBIBDOT-QGZVFWFLSA-N 1 3 394.401 3.860 20 0 GHADHO CCN1CCN(c2ccccc2C[N@H+](CC)Cc2ccc(OC)c(OC)c2)CC1 ZINC000506064330 853227374 /nfs/dbraw/zinc/22/73/74/853227374.db2.gz RKYZQWQSWVJRAP-UHFFFAOYSA-N 1 3 397.563 3.868 20 0 GHADHO CCN1CCN(c2ccccc2C[N@@H+](CC)Cc2ccc(OC)c(OC)c2)CC1 ZINC000506064330 853227376 /nfs/dbraw/zinc/22/73/76/853227376.db2.gz RKYZQWQSWVJRAP-UHFFFAOYSA-N 1 3 397.563 3.868 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000518518581 853463131 /nfs/dbraw/zinc/46/31/31/853463131.db2.gz CCDUTCKDXVVYOO-HMXCVIKNSA-N 1 3 393.531 3.550 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000518518581 853463143 /nfs/dbraw/zinc/46/31/43/853463143.db2.gz CCDUTCKDXVVYOO-HMXCVIKNSA-N 1 3 393.531 3.550 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167962322 853619843 /nfs/dbraw/zinc/61/98/43/853619843.db2.gz WRDKMXCVKNLYHR-ZUYMVEIJSA-N 1 3 389.584 3.627 20 0 GHADHO O=C(c1cccs1)N1CCC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377868 853678137 /nfs/dbraw/zinc/67/81/37/853678137.db2.gz MERYDPOSJKYPTE-UHFFFAOYSA-N 1 3 387.593 3.551 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000481912780 862510661 /nfs/dbraw/zinc/51/06/61/862510661.db2.gz BMGPNUAMHKJOLT-XMMPIXPASA-N 1 3 378.564 3.850 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016612 854335199 /nfs/dbraw/zinc/33/51/99/854335199.db2.gz ZVLMCLDFFKAKHB-GUDVDZBRSA-N 1 3 378.520 3.794 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016612 854335204 /nfs/dbraw/zinc/33/52/04/854335204.db2.gz ZVLMCLDFFKAKHB-GUDVDZBRSA-N 1 3 378.520 3.794 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000588710275 854368487 /nfs/dbraw/zinc/36/84/87/854368487.db2.gz JAUUSZKGGCLPCQ-QZTJIDSGSA-N 1 3 380.960 3.930 20 0 GHADHO COc1ccc([C@@H]2C[C@H](N3CCC([NH3+])(c4cccc(OC)c4)CC3)CCO2)cc1 ZINC001168616942 855065664 /nfs/dbraw/zinc/06/56/64/855065664.db2.gz OHBFWJHMSHIWEZ-OFNKIYASSA-N 1 3 396.531 3.874 20 0 GHADHO COc1ccc([C@@H]2C[C@H](N3CCC([NH3+])(Cc4ccccc4)CC3)CCO2)cc1 ZINC001168618442 855126840 /nfs/dbraw/zinc/12/68/40/855126840.db2.gz SIVOEKKZMQNCBZ-GGAORHGYSA-N 1 3 380.532 3.951 20 0 GHADHO C[C@H](CCCc1ccccc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000181088788 862746562 /nfs/dbraw/zinc/74/65/62/862746562.db2.gz TXIKTDBHYDWQSS-OAQYLSRUSA-N 1 3 385.596 3.712 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000674031105 862751997 /nfs/dbraw/zinc/75/19/97/862751997.db2.gz QFWNMVVWBIBHFE-QHCPKHFHSA-N 1 3 398.595 3.920 20 0 GHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000060367683 856282142 /nfs/dbraw/zinc/28/21/42/856282142.db2.gz YRZQTTOGMTUPJQ-AZUAARDMSA-N 1 3 389.559 3.664 20 0 GHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000060367683 856282154 /nfs/dbraw/zinc/28/21/54/856282154.db2.gz YRZQTTOGMTUPJQ-AZUAARDMSA-N 1 3 389.559 3.664 20 0 GHADHO COC(=O)c1ccc(-c2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000592492328 856899056 /nfs/dbraw/zinc/89/90/56/856899056.db2.gz YMTQNGZNWOMJSU-OALUTQOASA-N 1 3 399.560 3.808 20 0 GHADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745339 857047990 /nfs/dbraw/zinc/04/79/90/857047990.db2.gz AJMVLGONQBNARV-HSZRJFAPSA-N 1 3 383.580 3.766 20 0 GHADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000665255750 857069503 /nfs/dbraw/zinc/06/95/03/857069503.db2.gz AHLDIOYRYPNJMM-DPSWKAHMSA-N 1 3 390.531 3.986 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+]C/C=C/c2ccccc2OC)CC1 ZINC000520950804 857427996 /nfs/dbraw/zinc/42/79/96/857427996.db2.gz HLHDFUYJHOMHRZ-XYOKQWHBSA-N 1 3 379.548 3.636 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060566693 857459788 /nfs/dbraw/zinc/45/97/88/857459788.db2.gz AKKMDKFRVMLPGO-UHFFFAOYSA-N 1 3 388.600 3.792 20 0 GHADHO C[C@H](NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000672658229 857553144 /nfs/dbraw/zinc/55/31/44/857553144.db2.gz UKKTXTWRGDVDOA-PGRDOPGGSA-N 1 3 398.551 3.830 20 0 GHADHO C(=C\C[N@@H+]1CC[C@H](Nc2ccccc2)C1)\CN1CC[C@H](Nc2ccccc2)C1 ZINC000255215333 857598494 /nfs/dbraw/zinc/59/84/94/857598494.db2.gz MAXZKEJYTPMFJS-FCPCQKOLSA-N 1 3 376.548 3.915 20 0 GHADHO C(=C\C[N@H+]1CC[C@H](Nc2ccccc2)C1)\CN1CC[C@H](Nc2ccccc2)C1 ZINC000255215333 857598503 /nfs/dbraw/zinc/59/85/03/857598503.db2.gz MAXZKEJYTPMFJS-FCPCQKOLSA-N 1 3 376.548 3.915 20 0 GHADHO CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000676310092 857814185 /nfs/dbraw/zinc/81/41/85/857814185.db2.gz NILHIXWXIYQJGP-SFHVURJKSA-N 1 3 387.616 3.676 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000486581253 857894467 /nfs/dbraw/zinc/89/44/67/857894467.db2.gz MECUITYREWSEQX-RUZDIDTESA-N 1 3 391.559 3.877 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000486581253 857894469 /nfs/dbraw/zinc/89/44/69/857894469.db2.gz MECUITYREWSEQX-RUZDIDTESA-N 1 3 391.559 3.877 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnnn1-c1ccccc1 ZINC000676469519 857904732 /nfs/dbraw/zinc/90/47/32/857904732.db2.gz JLAIZTTZKQYXTP-MOJGAOKDSA-N 1 3 375.520 3.514 20 0 GHADHO CCSc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000574702126 858169158 /nfs/dbraw/zinc/16/91/58/858169158.db2.gz SWDKTEYHNYTSIV-UHFFFAOYSA-N 1 3 375.582 3.933 20 0 GHADHO Cc1c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cnn1-c1cccc(Cl)c1 ZINC000442874870 858190779 /nfs/dbraw/zinc/19/07/79/858190779.db2.gz RIOLVURFUWMPHN-INIZCTEOSA-N 1 3 389.975 3.511 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1(C)C ZINC000442878036 858198661 /nfs/dbraw/zinc/19/86/61/858198661.db2.gz SCMSXSJGMPCPLY-INIZCTEOSA-N 1 3 398.414 3.602 20 0 GHADHO Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114749135 858198859 /nfs/dbraw/zinc/19/88/59/858198859.db2.gz UZCXEBOVEXMKNZ-UXHICEINSA-N 1 3 379.548 3.815 20 0 GHADHO C[C@@H](CSCCF)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000595038215 858375851 /nfs/dbraw/zinc/37/58/51/858375851.db2.gz LDPQOJSUMWRWHR-AZUAARDMSA-N 1 3 380.573 3.596 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccsc1 ZINC000079598893 858589867 /nfs/dbraw/zinc/58/98/67/858589867.db2.gz JTCXTRVNIHOBLW-LJQANCHMSA-N 1 3 380.602 3.504 20 0 GHADHO COCCC[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686010 858930833 /nfs/dbraw/zinc/93/08/33/858930833.db2.gz YBXBTRJTPZXUHI-RTBURBONSA-N 1 3 381.358 3.991 20 0 GHADHO COCCC[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686010 858930834 /nfs/dbraw/zinc/93/08/34/858930834.db2.gz YBXBTRJTPZXUHI-RTBURBONSA-N 1 3 381.358 3.991 20 0 GHADHO c1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146494 858936359 /nfs/dbraw/zinc/93/63/59/858936359.db2.gz IIWBCAQNNJWBPE-DQEYMECFSA-N 1 3 392.543 3.952 20 0 GHADHO c1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146494 858936361 /nfs/dbraw/zinc/93/63/61/858936361.db2.gz IIWBCAQNNJWBPE-DQEYMECFSA-N 1 3 392.543 3.952 20 0 GHADHO COc1ccc(Oc2ccc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)cc2)cc1 ZINC000543240979 858984928 /nfs/dbraw/zinc/98/49/28/858984928.db2.gz YYNYTORQGIGTJF-BJKOFHAPSA-N 1 3 396.531 3.955 20 0 GHADHO C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000187101835 859062626 /nfs/dbraw/zinc/06/26/26/859062626.db2.gz JCRUMKZHCZMBFU-UWJYYQICSA-N 1 3 376.903 3.966 20 0 GHADHO C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000187101835 859062633 /nfs/dbraw/zinc/06/26/33/859062633.db2.gz JCRUMKZHCZMBFU-UWJYYQICSA-N 1 3 376.903 3.966 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)C1 ZINC000429443456 859382803 /nfs/dbraw/zinc/38/28/03/859382803.db2.gz CYWWSMNDEKLASP-IEZKXTBUSA-N 1 3 399.623 3.910 20 0 GHADHO Cc1ccc(CCC[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cn1 ZINC000856558281 881415146 /nfs/dbraw/zinc/41/51/46/881415146.db2.gz FKRDXRJKBJXPIT-HSZRJFAPSA-N 1 3 382.552 3.711 20 0 GHADHO Cc1ccc(CCC[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cn1 ZINC000856558281 881415277 /nfs/dbraw/zinc/41/52/77/881415277.db2.gz FKRDXRJKBJXPIT-HSZRJFAPSA-N 1 3 382.552 3.711 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2cccc3ccccc32)CC1 ZINC000114455644 859613655 /nfs/dbraw/zinc/61/36/55/859613655.db2.gz ICJHBZBQBPJEPG-QHCPKHFHSA-N 1 3 379.548 3.966 20 0 GHADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607788 859857793 /nfs/dbraw/zinc/85/77/93/859857793.db2.gz YIIJEVAQOMHYNC-NVXWUHKLSA-N 1 3 395.473 3.802 20 0 GHADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607788 859857803 /nfs/dbraw/zinc/85/78/03/859857803.db2.gz YIIJEVAQOMHYNC-NVXWUHKLSA-N 1 3 395.473 3.802 20 0 GHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000532216133 881474837 /nfs/dbraw/zinc/47/48/37/881474837.db2.gz JAYJJFHEYMKBJD-QGZVFWFLSA-N 1 3 381.520 3.753 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000484288117 859925825 /nfs/dbraw/zinc/92/58/25/859925825.db2.gz HQTFWHFCARQXLI-DSKINZAPSA-N 1 3 379.976 3.645 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000484288117 859925829 /nfs/dbraw/zinc/92/58/29/859925829.db2.gz HQTFWHFCARQXLI-DSKINZAPSA-N 1 3 379.976 3.645 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369580 859932021 /nfs/dbraw/zinc/93/20/21/859932021.db2.gz HPMUDDAAKNNWEO-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369580 859932028 /nfs/dbraw/zinc/93/20/28/859932028.db2.gz HPMUDDAAKNNWEO-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO Cn1nc2c(c1CNCc1ccccc1-c1ccc(C[NH+](C)C)cc1)COCC2 ZINC000921519196 860006942 /nfs/dbraw/zinc/00/69/42/860006942.db2.gz CFGJEWOXSLGEHS-UHFFFAOYSA-N 1 3 390.531 3.511 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]Cc3ccoc3)CC2)c1 ZINC000727465735 860104258 /nfs/dbraw/zinc/10/42/58/860104258.db2.gz JBKOQQCIXKVPJV-UHFFFAOYSA-N 1 3 381.442 3.990 20 0 GHADHO Cc1sc([C@@H](C)NC2CCN(CC[NH3+])CC2)nc1-c1ccc(Cl)cc1 ZINC000904363513 860383416 /nfs/dbraw/zinc/38/34/16/860383416.db2.gz HDTYWCTYJIRKRL-CYBMUJFWSA-N 1 3 378.973 3.846 20 0 GHADHO CN(CCC[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168556256 860605850 /nfs/dbraw/zinc/60/58/50/860605850.db2.gz AOCPWKCVMAQPRC-HZPDHXFCSA-N 1 3 393.494 3.735 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869354 860803187 /nfs/dbraw/zinc/80/31/87/860803187.db2.gz LIJDBBVTIRWWPS-DXIQSLLYSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869354 860803194 /nfs/dbraw/zinc/80/31/94/860803194.db2.gz LIJDBBVTIRWWPS-DXIQSLLYSA-N 1 3 375.520 3.971 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607153 881585697 /nfs/dbraw/zinc/58/56/97/881585697.db2.gz WXQHWINWBBJJTL-FOVJLYNBSA-N 1 3 397.563 3.540 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607153 881585708 /nfs/dbraw/zinc/58/57/08/881585708.db2.gz WXQHWINWBBJJTL-FOVJLYNBSA-N 1 3 397.563 3.540 20 0 GHADHO Cn1c2ccc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2sc1=O ZINC000192517253 860870268 /nfs/dbraw/zinc/87/02/68/860870268.db2.gz AWHIXLANYHFSIZ-MRXNPFEDSA-N 1 3 387.574 3.663 20 0 GHADHO Cn1c2ccc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc2sc1=O ZINC000192517253 860870272 /nfs/dbraw/zinc/87/02/72/860870272.db2.gz AWHIXLANYHFSIZ-MRXNPFEDSA-N 1 3 387.574 3.663 20 0 GHADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)Nc1ccc2c(c1)CNC2 ZINC000557051295 881634896 /nfs/dbraw/zinc/63/48/96/881634896.db2.gz HKRXFJKOFQLSKM-UHFFFAOYSA-N 1 3 378.520 3.988 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(OCc2ccccc2)c1 ZINC000482545803 863302550 /nfs/dbraw/zinc/30/25/50/863302550.db2.gz ZMIZCTZPRCJOQV-SIKLNZKXSA-N 1 3 395.547 3.504 20 0 GHADHO CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000182682118 863327965 /nfs/dbraw/zinc/32/79/65/863327965.db2.gz GQVAWOZUOQEMPS-RTWAWAEBSA-N 1 3 378.582 3.508 20 0 GHADHO C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000606622140 863740791 /nfs/dbraw/zinc/74/07/91/863740791.db2.gz UFFYZJNFHGZAFN-MJGOQNOKSA-N 1 3 392.613 3.551 20 0 GHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+](C)C ZINC000554219332 863918533 /nfs/dbraw/zinc/91/85/33/863918533.db2.gz VOBHURSWKWHIBO-COPCDDAFSA-N 1 3 382.552 3.588 20 0 GHADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@H](C)C1 ZINC000158707058 863922963 /nfs/dbraw/zinc/92/29/63/863922963.db2.gz RNCRJLKOECYHGG-XXBNENTESA-N 1 3 379.548 3.745 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480150672 864150272 /nfs/dbraw/zinc/15/02/72/864150272.db2.gz RXQUQMLFCFQHNH-KRWDZBQOSA-N 1 3 387.549 3.505 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000475127669 864267268 /nfs/dbraw/zinc/26/72/68/864267268.db2.gz DHNJGMSBCABKMR-GOTSBHOMSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000475127669 864267284 /nfs/dbraw/zinc/26/72/84/864267284.db2.gz DHNJGMSBCABKMR-GOTSBHOMSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000494486346 881783062 /nfs/dbraw/zinc/78/30/62/881783062.db2.gz OHNCHZWWCRNKID-HSZRJFAPSA-N 1 3 375.520 3.720 20 0 GHADHO COc1cc(CC[NH2+][C@H]2CCCC[C@H]2CN)cc(OC)c1OCc1ccccc1 ZINC000622044876 864713850 /nfs/dbraw/zinc/71/38/50/864713850.db2.gz WMLMPKLQBIEOJP-SFTDATJTSA-N 1 3 398.547 3.932 20 0 GHADHO c1cc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n(-c2ccncc2)n1 ZINC000667688169 864790832 /nfs/dbraw/zinc/79/08/32/864790832.db2.gz HNCGHCPLGYZGQQ-UHFFFAOYSA-N 1 3 387.531 3.755 20 0 GHADHO c1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n(-c2ccncc2)n1 ZINC000667688169 864790843 /nfs/dbraw/zinc/79/08/43/864790843.db2.gz HNCGHCPLGYZGQQ-UHFFFAOYSA-N 1 3 387.531 3.755 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc21 ZINC000554737847 864810858 /nfs/dbraw/zinc/81/08/58/864810858.db2.gz JRQCPXRTCOFTPL-WZONZLPQSA-N 1 3 377.532 3.850 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)N2CCCC2)cc1 ZINC000622452083 865002126 /nfs/dbraw/zinc/00/21/26/865002126.db2.gz INPNDRUVLIDHQV-JOCHJYFZSA-N 1 3 386.584 3.505 20 0 GHADHO CCCOC[C@H](Cc1cccc(Br)c1)NC1CC[NH+](CC)CC1 ZINC000480664501 865082371 /nfs/dbraw/zinc/08/23/71/865082371.db2.gz NCEKSWLWPLARCQ-IBGZPJMESA-N 1 3 383.374 3.861 20 0 GHADHO COCC[N@H+](C)CCCN[C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000480748416 865192537 /nfs/dbraw/zinc/19/25/37/865192537.db2.gz LFTMWGNPXGZESI-KRWDZBQOSA-N 1 3 377.529 3.885 20 0 GHADHO COCC[N@@H+](C)CCCN[C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000480748416 865192546 /nfs/dbraw/zinc/19/25/46/865192546.db2.gz LFTMWGNPXGZESI-KRWDZBQOSA-N 1 3 377.529 3.885 20 0 GHADHO CC(C)N(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000555231146 865750771 /nfs/dbraw/zinc/75/07/71/865750771.db2.gz VXGFSEMCYXANEB-VZKPYBMVSA-N 1 3 377.960 3.710 20 0 GHADHO CC(C)N(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555231146 865750780 /nfs/dbraw/zinc/75/07/80/865750780.db2.gz VXGFSEMCYXANEB-VZKPYBMVSA-N 1 3 377.960 3.710 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000478737434 866545136 /nfs/dbraw/zinc/54/51/36/866545136.db2.gz IAAUTXYTJXOINY-UHFFFAOYSA-N 1 3 386.584 3.690 20 0 GHADHO CN(C)C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000478738731 866568682 /nfs/dbraw/zinc/56/86/82/866568682.db2.gz KUGOQALBGFIWTO-QFIPXVFZSA-N 1 3 398.526 3.524 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)(N2CCCCC2)CC1 ZINC000534419988 866765027 /nfs/dbraw/zinc/76/50/27/866765027.db2.gz AEOFGHUWSZLVES-QHAWAJNXSA-N 1 3 375.601 3.659 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000553143892 866874682 /nfs/dbraw/zinc/87/46/82/866874682.db2.gz SQROJXSTYRIIAC-ISKFKSNPSA-N 1 3 397.607 3.710 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000154285887 867336301 /nfs/dbraw/zinc/33/63/01/867336301.db2.gz IKHOLUXUBWJOSM-QGZVFWFLSA-N 1 3 398.414 3.603 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000162850245 867660836 /nfs/dbraw/zinc/66/08/36/867660836.db2.gz IJYIUEIYUXZAAN-OALUTQOASA-N 1 3 394.003 3.783 20 0 GHADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436396 867752487 /nfs/dbraw/zinc/75/24/87/867752487.db2.gz IOBNZPILLLMPAC-BEFAXECRSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436396 867752494 /nfs/dbraw/zinc/75/24/94/867752494.db2.gz IOBNZPILLLMPAC-BEFAXECRSA-N 1 3 381.358 3.917 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000523764281 867914258 /nfs/dbraw/zinc/91/42/58/867914258.db2.gz PUMKPVJZTLQKPZ-NYLDSWQDSA-N 1 3 378.605 3.547 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000523764281 867914279 /nfs/dbraw/zinc/91/42/79/867914279.db2.gz PUMKPVJZTLQKPZ-NYLDSWQDSA-N 1 3 378.605 3.547 20 0 GHADHO Cc1cc2[nH]c(C[NH2+]Cc3ccc(CN4CCN(C)CC4)cc3)cc2c(C)c1 ZINC000479559401 868056686 /nfs/dbraw/zinc/05/66/86/868056686.db2.gz ZORAQGWOBBSAFK-UHFFFAOYSA-N 1 3 376.548 3.822 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@H](C)C1 ZINC000156516576 868386638 /nfs/dbraw/zinc/38/66/38/868386638.db2.gz YNWZYUPKCBDRFK-BEFAXECRSA-N 1 3 388.474 3.941 20 0 GHADHO Cn1cc(CNC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000121794794 882283623 /nfs/dbraw/zinc/28/36/23/882283623.db2.gz SCFMDHPJXKMBJQ-HSZRJFAPSA-N 1 3 375.520 3.626 20 0 GHADHO Cn1cc(CNC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000121794794 882283632 /nfs/dbraw/zinc/28/36/32/882283632.db2.gz SCFMDHPJXKMBJQ-HSZRJFAPSA-N 1 3 375.520 3.626 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n(C)c1C ZINC000462785648 870075922 /nfs/dbraw/zinc/07/59/22/870075922.db2.gz QTFBWVSPTCNCTG-ROUUACIJSA-N 1 3 397.563 3.888 20 0 GHADHO CCc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247991144 870257005 /nfs/dbraw/zinc/25/70/05/870257005.db2.gz JJPFGFMHUDTVPZ-WZONZLPQSA-N 1 3 379.548 3.797 20 0 GHADHO CCc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247991144 870257021 /nfs/dbraw/zinc/25/70/21/870257021.db2.gz JJPFGFMHUDTVPZ-WZONZLPQSA-N 1 3 379.548 3.797 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000462905846 870353361 /nfs/dbraw/zinc/35/33/61/870353361.db2.gz FFGUZGATTDIXME-FQEVSTJZSA-N 1 3 396.554 3.584 20 0 GHADHO Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CC2)n1 ZINC000248407530 870383762 /nfs/dbraw/zinc/38/37/62/870383762.db2.gz DFKMDWMYLQRBLU-QPTUXGOLSA-N 1 3 390.575 3.859 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(OC(F)F)c1 ZINC000248438569 870422961 /nfs/dbraw/zinc/42/29/61/870422961.db2.gz HVKIZZBKBCAJMB-DNVCBOLYSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(OC(F)F)c1 ZINC000248438569 870422973 /nfs/dbraw/zinc/42/29/73/870422973.db2.gz HVKIZZBKBCAJMB-DNVCBOLYSA-N 1 3 376.447 3.705 20 0 GHADHO Cc1ccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1C ZINC000538735052 870481048 /nfs/dbraw/zinc/48/10/48/870481048.db2.gz SQYCMDUSYQAOLZ-UHFFFAOYSA-N 1 3 393.575 3.764 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+][C@H]3CCCOCC3)CC2)cc1 ZINC000538867225 870787532 /nfs/dbraw/zinc/78/75/32/870787532.db2.gz WALAXJWVYVMXSB-QHCPKHFHSA-N 1 3 379.548 3.668 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+][C@@H]3CCCOCC3)CC2)cc1 ZINC000538867224 870788227 /nfs/dbraw/zinc/78/82/27/870788227.db2.gz WALAXJWVYVMXSB-HSZRJFAPSA-N 1 3 379.548 3.668 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000461713878 870794056 /nfs/dbraw/zinc/79/40/56/870794056.db2.gz GDSFGZHYRISYHM-HXUWFJFHSA-N 1 3 388.600 3.660 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000461713878 870794065 /nfs/dbraw/zinc/79/40/65/870794065.db2.gz GDSFGZHYRISYHM-HXUWFJFHSA-N 1 3 388.600 3.660 20 0 GHADHO OC[C@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000446976691 870797489 /nfs/dbraw/zinc/79/74/89/870797489.db2.gz IUUMVXAEVLOFBT-INIZCTEOSA-N 1 3 384.486 3.642 20 0 GHADHO C[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000463072284 870831026 /nfs/dbraw/zinc/83/10/26/870831026.db2.gz DOTHWODFBBIUDM-LJQANCHMSA-N 1 3 375.576 3.933 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC001168826196 870879672 /nfs/dbraw/zinc/87/96/72/870879672.db2.gz PHBCREDERIBAJV-IBGZPJMESA-N 1 3 396.453 3.639 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC001193248537 870973321 /nfs/dbraw/zinc/97/33/21/870973321.db2.gz FFRXDZLSECXCBB-NCXUSEDFSA-N 1 3 379.589 3.732 20 0 GHADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028284 871089995 /nfs/dbraw/zinc/08/99/95/871089995.db2.gz RJNLSZOXCHRCER-FDDCHVKYSA-N 1 3 377.532 3.535 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)c2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000539056377 871191530 /nfs/dbraw/zinc/19/15/30/871191530.db2.gz JGKZFRGZILMRFI-GGPKGHCWSA-N 1 3 386.540 3.567 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)c2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000539056377 871191550 /nfs/dbraw/zinc/19/15/50/871191550.db2.gz JGKZFRGZILMRFI-GGPKGHCWSA-N 1 3 386.540 3.567 20 0 GHADHO C[C@@H]1[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241639 871240029 /nfs/dbraw/zinc/24/00/29/871240029.db2.gz CWWVZCUOKAOLEC-FAYOUJPWSA-N 1 3 391.559 3.819 20 0 GHADHO C[C@@H]1[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241639 871240045 /nfs/dbraw/zinc/24/00/45/871240045.db2.gz CWWVZCUOKAOLEC-FAYOUJPWSA-N 1 3 391.559 3.819 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]Cc4cccc(N5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000550857477 882518869 /nfs/dbraw/zinc/51/88/69/882518869.db2.gz UHOMKROZFHAHEN-ICDZXHCJSA-N 1 3 391.559 3.523 20 0 GHADHO Cc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)cc(C)c1I ZINC001205653376 871502461 /nfs/dbraw/zinc/50/24/61/871502461.db2.gz UARACJNHMAWKOK-WBMJQRKESA-N 1 3 386.321 3.715 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCc4cccc(N5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000550857477 882518844 /nfs/dbraw/zinc/51/88/44/882518844.db2.gz UHOMKROZFHAHEN-ICDZXHCJSA-N 1 3 391.559 3.523 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCc4cccc(N5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000550857477 882518856 /nfs/dbraw/zinc/51/88/56/882518856.db2.gz UHOMKROZFHAHEN-ICDZXHCJSA-N 1 3 391.559 3.523 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCc4cccc(N5CCOCC5)c4)[C@H]3C2)cc1 ZINC000550857476 882519234 /nfs/dbraw/zinc/51/92/34/882519234.db2.gz UHOMKROZFHAHEN-HVCNVCAESA-N 1 3 391.559 3.523 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCc4cccc(N5CCOCC5)c4)[C@H]3C2)cc1 ZINC000550857476 882519244 /nfs/dbraw/zinc/51/92/44/882519244.db2.gz UHOMKROZFHAHEN-HVCNVCAESA-N 1 3 391.559 3.523 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]Cc4cccc(N5CCOCC5)c4)[C@H]3C2)cc1 ZINC000550857476 882519252 /nfs/dbraw/zinc/51/92/52/882519252.db2.gz UHOMKROZFHAHEN-HVCNVCAESA-N 1 3 391.559 3.523 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000539307128 871699264 /nfs/dbraw/zinc/69/92/64/871699264.db2.gz QJYMKZKWYFRGKY-DUXKGJEZSA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000539307128 871699272 /nfs/dbraw/zinc/69/92/72/871699272.db2.gz QJYMKZKWYFRGKY-DUXKGJEZSA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)C1 ZINC000539307278 871702461 /nfs/dbraw/zinc/70/24/61/871702461.db2.gz RQUGAJVZDVKGBA-UDKICSLYSA-N 1 3 392.609 3.610 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)C1 ZINC000539307278 871702470 /nfs/dbraw/zinc/70/24/70/871702470.db2.gz RQUGAJVZDVKGBA-UDKICSLYSA-N 1 3 392.609 3.610 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000462164619 871722208 /nfs/dbraw/zinc/72/22/08/871722208.db2.gz NTNNQOZGEVKHJU-NTKDMRAZSA-N 1 3 391.559 3.921 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000462164619 871722222 /nfs/dbraw/zinc/72/22/22/871722222.db2.gz NTNNQOZGEVKHJU-NTKDMRAZSA-N 1 3 391.559 3.921 20 0 GHADHO C[C@@H](NCc1ccc(Cl)cc1I)C1CC[NH+](C)CC1 ZINC000618578846 871730702 /nfs/dbraw/zinc/73/07/02/871730702.db2.gz QJQJCRHSZUGDER-LLVKDONJSA-N 1 3 392.712 3.765 20 0 GHADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477919990 872181846 /nfs/dbraw/zinc/18/18/46/872181846.db2.gz SDJLWLBLBUIOAY-SFHVURJKSA-N 1 3 385.552 3.553 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(C2CCCC2)nc1C ZINC000463618057 872191972 /nfs/dbraw/zinc/19/19/72/872191972.db2.gz KIKMAMVVMXZLEO-GOSISDBHSA-N 1 3 392.613 3.597 20 0 GHADHO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)C1 ZINC000857926381 882643539 /nfs/dbraw/zinc/64/35/39/882643539.db2.gz UHOXIFIJYBKOAJ-IKGGRYGDSA-N 1 3 384.442 3.644 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCOC1 ZINC000153077436 873171406 /nfs/dbraw/zinc/17/14/06/873171406.db2.gz HIWHZLDJCRZLLN-ZWKOTPCHSA-N 1 3 399.501 3.622 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000448420843 873355609 /nfs/dbraw/zinc/35/56/09/873355609.db2.gz HTBLAPIOFOFQME-NHCUHLMSSA-N 1 3 389.559 3.522 20 0 GHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000448420843 873355621 /nfs/dbraw/zinc/35/56/21/873355621.db2.gz HTBLAPIOFOFQME-NHCUHLMSSA-N 1 3 389.559 3.522 20 0 GHADHO CC(C)Oc1cc(Cl)c(CNC[C@H](C)C[NH+]2CCN(C)CC2)cc1Cl ZINC000527653713 873449352 /nfs/dbraw/zinc/44/93/52/873449352.db2.gz PEOLAWINNUZMPC-HNNXBMFYSA-N 1 3 388.383 3.754 20 0 GHADHO Cc1cc2ncn(C[C@@H](O)CN3CCC[C@@H]3CC[NH+]3CCC(C)CC3)c2cc1C ZINC001196935947 873486970 /nfs/dbraw/zinc/48/69/70/873486970.db2.gz MXKGAVBUBRLVBU-YADHBBJMSA-N 1 3 398.595 3.600 20 0 GHADHO Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCC[C@@H]3CCN3CCC(C)CC3)c2cc1C ZINC001196935947 873486975 /nfs/dbraw/zinc/48/69/75/873486975.db2.gz MXKGAVBUBRLVBU-YADHBBJMSA-N 1 3 398.595 3.600 20 0 GHADHO Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCC[C@@H]3CCN3CCC(C)CC3)c2cc1C ZINC001196935947 873486979 /nfs/dbraw/zinc/48/69/79/873486979.db2.gz MXKGAVBUBRLVBU-YADHBBJMSA-N 1 3 398.595 3.600 20 0 GHADHO C[C@H](CN1CCCC1=O)N[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000550887957 882775093 /nfs/dbraw/zinc/77/50/93/882775093.db2.gz VSAWKBGOGOBFBG-DENIHFKCSA-N 1 3 389.559 3.979 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464563557 874083846 /nfs/dbraw/zinc/08/38/46/874083846.db2.gz MCGYZBOPGXOZGP-OFNKIYASSA-N 1 3 385.596 3.520 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464563557 874083861 /nfs/dbraw/zinc/08/38/61/874083861.db2.gz MCGYZBOPGXOZGP-OFNKIYASSA-N 1 3 385.596 3.520 20 0 GHADHO C[C@@]1([C@H]2CCC[N@H+](CCCN3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892508 874094006 /nfs/dbraw/zinc/09/40/06/874094006.db2.gz YFOPOWDLNRMXIV-UPVQGACJSA-N 1 3 399.579 3.542 20 0 GHADHO C[C@@]1([C@H]2CCC[N@@H+](CCCN3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892508 874094020 /nfs/dbraw/zinc/09/40/20/874094020.db2.gz YFOPOWDLNRMXIV-UPVQGACJSA-N 1 3 399.579 3.542 20 0 GHADHO C[C@@]1([C@H]2CCCN(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892508 874094032 /nfs/dbraw/zinc/09/40/32/874094032.db2.gz YFOPOWDLNRMXIV-UPVQGACJSA-N 1 3 399.579 3.542 20 0 GHADHO CCN1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000541732605 874171005 /nfs/dbraw/zinc/17/10/05/874171005.db2.gz DWYSSGXQDDDFLG-YADHBBJMSA-N 1 3 392.609 3.792 20 0 GHADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464650983 874235163 /nfs/dbraw/zinc/23/51/63/874235163.db2.gz PKMXWNKYJJPOJI-OFNKIYASSA-N 1 3 385.596 3.520 20 0 GHADHO CCC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000528317161 874367990 /nfs/dbraw/zinc/36/79/90/874367990.db2.gz SWOQDOONGAODSW-OAQYLSRUSA-N 1 3 391.987 3.899 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2cnc3c(Cl)cnn3c2)CC1 ZINC000449363447 874787474 /nfs/dbraw/zinc/78/74/74/874787474.db2.gz LZARQNMKXKLKTJ-QGZVFWFLSA-N 1 3 397.954 3.610 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000449632159 875177562 /nfs/dbraw/zinc/17/75/62/875177562.db2.gz XIWCZYPBLZPGDP-PZJWPPBQSA-N 1 3 385.577 3.900 20 0 GHADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000449679744 875230390 /nfs/dbraw/zinc/23/03/90/875230390.db2.gz FHWVVFXLSMCYQX-INIZCTEOSA-N 1 3 397.401 3.761 20 0 GHADHO Cc1c(Br)cccc1C[C@H](CO)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000449679744 875230399 /nfs/dbraw/zinc/23/03/99/875230399.db2.gz FHWVVFXLSMCYQX-INIZCTEOSA-N 1 3 397.401 3.761 20 0 GHADHO C[C@H]1COCC[C@H]1[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000192470207 882926041 /nfs/dbraw/zinc/92/60/41/882926041.db2.gz SWVAXULMAAUWHJ-FXAWDEMLSA-N 1 3 399.501 3.622 20 0 GHADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000491436795 875693472 /nfs/dbraw/zinc/69/34/72/875693472.db2.gz XTSAWMBYJGCQON-UHFFFAOYSA-N 1 3 377.532 3.786 20 0 GHADHO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000491558374 875801501 /nfs/dbraw/zinc/80/15/01/875801501.db2.gz FWYIYTPSTRJLBI-GOSISDBHSA-N 1 3 378.520 3.835 20 0 GHADHO Fc1ccc(CCN2CCC([NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000192925572 883048593 /nfs/dbraw/zinc/04/85/93/883048593.db2.gz OZELFRAFBNSIOW-QHCPKHFHSA-N 1 3 395.566 3.944 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3sc(Br)cc32)C[C@@H](C)O1 ZINC000551014297 883065720 /nfs/dbraw/zinc/06/57/20/883065720.db2.gz RSDVXNCOAJJQIH-NFAWXSAZSA-N 1 3 387.387 3.977 20 0 GHADHO Cc1c([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509651 876981806 /nfs/dbraw/zinc/98/18/06/876981806.db2.gz SJHYMPFREWNTDB-WZONZLPQSA-N 1 3 390.531 3.598 20 0 GHADHO Cc1c([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509651 876981814 /nfs/dbraw/zinc/98/18/14/876981814.db2.gz SJHYMPFREWNTDB-WZONZLPQSA-N 1 3 390.531 3.598 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000850576255 877043994 /nfs/dbraw/zinc/04/39/94/877043994.db2.gz IODVOYIFGJLNCD-CVDCTZTESA-N 1 3 392.547 3.607 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000850576255 877044008 /nfs/dbraw/zinc/04/40/08/877044008.db2.gz IODVOYIFGJLNCD-CVDCTZTESA-N 1 3 392.547 3.607 20 0 GHADHO O=C(NCCCCCCC[NH+]1CCCC1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850761043 877147920 /nfs/dbraw/zinc/14/79/20/877147920.db2.gz GDNAGSFJCBPHMR-NRFANRHFSA-N 1 3 388.556 3.515 20 0 GHADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCN[C@@H](c4ccccc4)C3)CC2)oc1C ZINC000667006644 877607378 /nfs/dbraw/zinc/60/73/78/877607378.db2.gz HLJQHJIVQYNAMJ-FGZHOGPDSA-N 1 3 382.552 3.586 20 0 GHADHO C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000248637379 912297229 /nfs/dbraw/zinc/29/72/29/912297229.db2.gz ADWDFJNGNSCBBL-NPPFBWRTSA-N 1 3 379.589 3.876 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C[C@@H](C)O1 ZINC000788645266 878204246 /nfs/dbraw/zinc/20/42/46/878204246.db2.gz OJQGBYXXLUWPQA-UAFMIMERSA-N 1 3 397.604 3.501 20 0 GHADHO COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1OC ZINC000245736528 878502294 /nfs/dbraw/zinc/50/22/94/878502294.db2.gz QXYRPEPSESSFSE-WKCHPHFGSA-N 1 3 394.515 3.767 20 0 GHADHO C[C@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000537954752 878579703 /nfs/dbraw/zinc/57/97/03/878579703.db2.gz SXKDZPJICUKYSH-UWJYYQICSA-N 1 3 399.510 3.612 20 0 GHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177350368 878659846 /nfs/dbraw/zinc/65/98/46/878659846.db2.gz XQKOIILJTWZPDX-HSZRJFAPSA-N 1 3 398.595 3.920 20 0 GHADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N(C)Cc1ccccc1 ZINC000177504467 878735606 /nfs/dbraw/zinc/73/56/06/878735606.db2.gz VOGTYSQWYZZARX-IBGZPJMESA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853241079 878925192 /nfs/dbraw/zinc/92/51/92/878925192.db2.gz UHMKZMZXXMZORA-AZUAARDMSA-N 1 3 397.563 3.553 20 0 GHADHO CC[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C)cc1 ZINC000538155668 878926196 /nfs/dbraw/zinc/92/61/96/878926196.db2.gz XFLCGEQFZNPZHE-HSZRJFAPSA-N 1 3 379.548 3.948 20 0 GHADHO Cc1cccc([C@H](C)NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000538189092 879001656 /nfs/dbraw/zinc/00/16/56/879001656.db2.gz UPODBUBZDFNYOT-FQEVSTJZSA-N 1 3 379.548 3.866 20 0 GHADHO CN(C)C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000669999586 879095816 /nfs/dbraw/zinc/09/58/16/879095816.db2.gz XBBANNQUXZTOPV-NRFANRHFSA-N 1 3 375.944 3.673 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)c1ccccc1O2 ZINC000538291359 879189961 /nfs/dbraw/zinc/18/99/61/879189961.db2.gz RUCWBQANMMXQBD-PCCBWWKXSA-N 1 3 380.536 3.945 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000538393716 879411510 /nfs/dbraw/zinc/41/15/10/879411510.db2.gz QLXBOBFQSFQQAA-HXUWFJFHSA-N 1 3 377.548 3.835 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000246351717 879445613 /nfs/dbraw/zinc/44/56/13/879445613.db2.gz HSNZFJTXIXMWQD-XPWALMASSA-N 1 3 384.564 3.747 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246860892 879830327 /nfs/dbraw/zinc/83/03/27/879830327.db2.gz BYYSQZMOLQYDNW-HZPDHXFCSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246860892 879830349 /nfs/dbraw/zinc/83/03/49/879830349.db2.gz BYYSQZMOLQYDNW-HZPDHXFCSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246860892 879830362 /nfs/dbraw/zinc/83/03/62/879830362.db2.gz BYYSQZMOLQYDNW-HZPDHXFCSA-N 1 3 396.373 3.876 20 0 GHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000246996291 879876353 /nfs/dbraw/zinc/87/63/53/879876353.db2.gz LDJIIZZDXOVEBH-KZNAEPCWSA-N 1 3 388.556 3.511 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494188179 880003745 /nfs/dbraw/zinc/00/37/45/880003745.db2.gz HQSQOKGXUFDNCF-IRXDYDNUSA-N 1 3 387.749 3.570 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000531693263 880349334 /nfs/dbraw/zinc/34/93/34/880349334.db2.gz FCERZXFBRWJEPV-CQSZACIVSA-N 1 3 394.357 3.773 20 0 GHADHO COCCC[NH+]1CCC(N[C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453083391 880439560 /nfs/dbraw/zinc/43/95/60/880439560.db2.gz CVNKSYBTJSRBAJ-SFTDATJTSA-N 1 3 380.960 3.521 20 0 GHADHO COc1ccc(-c2ccncc2)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000187168751 881089462 /nfs/dbraw/zinc/08/94/62/881089462.db2.gz KTHSTKHGNUWDRA-OALUTQOASA-N 1 3 383.536 3.736 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000729600318 883120764 /nfs/dbraw/zinc/12/07/64/883120764.db2.gz QJEDKRWDFNUZPS-XXBNENTESA-N 1 3 394.563 3.725 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCC2 ZINC000858476041 883127231 /nfs/dbraw/zinc/12/72/31/883127231.db2.gz NBEAWACOKHHEKT-IBGZPJMESA-N 1 3 377.573 3.915 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)C12CCC2 ZINC000858476041 883127240 /nfs/dbraw/zinc/12/72/40/883127240.db2.gz NBEAWACOKHHEKT-IBGZPJMESA-N 1 3 377.573 3.915 20 0 GHADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001168157991 883411201 /nfs/dbraw/zinc/41/12/01/883411201.db2.gz BNBBWWQGBPFEAR-CBQOVEMMSA-N 1 3 389.559 3.617 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455579 912711296 /nfs/dbraw/zinc/71/12/96/912711296.db2.gz YHWYDWZCFSQAOG-QKYXUNIQSA-N 1 3 377.454 3.832 20 0 GHADHO CC[C@@H]1CC(N2CCC([NH3+])(CCOC)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170477398 883691537 /nfs/dbraw/zinc/69/15/37/883691537.db2.gz JSPBFGJQAATVAT-QZTJIDSGSA-N 1 3 397.604 3.773 20 0 GHADHO Cc1c(F)cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc1F ZINC001211911608 883827663 /nfs/dbraw/zinc/82/76/63/883827663.db2.gz RPSLPJNKIBBNDT-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1c(F)cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc1F ZINC001211911608 883827681 /nfs/dbraw/zinc/82/76/81/883827681.db2.gz RPSLPJNKIBBNDT-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000129974922 884019057 /nfs/dbraw/zinc/01/90/57/884019057.db2.gz ITXDTGRTEIRJPV-OALUTQOASA-N 1 3 397.485 3.723 20 0 GHADHO O=C(O[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805884074 884207280 /nfs/dbraw/zinc/20/72/80/884207280.db2.gz FNPNVTWSGZPUJY-QHCPKHFHSA-N 1 3 378.516 3.716 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@H]3CCCc4sccc43)cc2)CC1 ZINC000666254670 884454083 /nfs/dbraw/zinc/45/40/83/884454083.db2.gz UZMAYJKSRGOJOH-FQEVSTJZSA-N 1 3 383.561 3.613 20 0 GHADHO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000495109445 884561119 /nfs/dbraw/zinc/56/11/19/884561119.db2.gz PKYZANNAONYJJI-IPJJNNNSSA-N 1 3 396.531 3.627 20 0 GHADHO CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(F)cc1 ZINC000455868728 884601110 /nfs/dbraw/zinc/60/11/10/884601110.db2.gz WAMKIAWCSKRYBM-SFTDATJTSA-N 1 3 384.499 3.799 20 0 GHADHO C[C@H]1[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000806931284 885096709 /nfs/dbraw/zinc/09/67/09/885096709.db2.gz LCHSZOHZCRPOBS-MALGCSLJSA-N 1 3 398.595 3.746 20 0 GHADHO Cc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ccc1N(C)C ZINC001170527868 885565723 /nfs/dbraw/zinc/56/57/23/885565723.db2.gz BMBXREGJFHXMAK-UHFFFAOYSA-N 1 3 376.548 3.971 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@H](C)C1 ZINC000495420382 885747518 /nfs/dbraw/zinc/74/75/18/885747518.db2.gz HMYRUJIBDMDSHT-APWZRJJASA-N 1 3 398.389 3.588 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@H](C)C1 ZINC000495420382 885747532 /nfs/dbraw/zinc/74/75/32/885747532.db2.gz HMYRUJIBDMDSHT-APWZRJJASA-N 1 3 398.389 3.588 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867506 886385316 /nfs/dbraw/zinc/38/53/16/886385316.db2.gz FELWXBNINRNOPY-DYXWJJEUSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867506 886385331 /nfs/dbraw/zinc/38/53/31/886385331.db2.gz FELWXBNINRNOPY-DYXWJJEUSA-N 1 3 375.520 3.971 20 0 GHADHO C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000236704347 886878987 /nfs/dbraw/zinc/87/89/87/886878987.db2.gz QHYLXFRVRYWLPC-JZJYNLBNSA-N 1 3 377.532 3.705 20 0 GHADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000237878399 887002812 /nfs/dbraw/zinc/00/28/12/887002812.db2.gz LNOPHULPFAGFLL-VQTJNVASSA-N 1 3 375.582 3.514 20 0 GHADHO Cc1nc(-c2ccccc2)sc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666667315 887080731 /nfs/dbraw/zinc/08/07/31/887080731.db2.gz GTFNZEXRONHYHM-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO Cc1nc(-c2ccccc2)sc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666667315 887080745 /nfs/dbraw/zinc/08/07/45/887080745.db2.gz GTFNZEXRONHYHM-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO CC(C)C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759470 887783255 /nfs/dbraw/zinc/78/32/55/887783255.db2.gz FIXWBPMRAZUKBG-JOCHJYFZSA-N 1 3 386.584 3.632 20 0 GHADHO OC1(C[NH2+]Cc2ccc(Br)s2)CCN(Cc2ccccc2)CC1 ZINC000397592015 888128068 /nfs/dbraw/zinc/12/80/68/888128068.db2.gz KASHMXXRKPCJFH-UHFFFAOYSA-N 1 3 395.366 3.627 20 0 GHADHO CC(C)[C@](C)(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000865064758 888167482 /nfs/dbraw/zinc/16/74/82/888167482.db2.gz ZSKMZVFZFHFCST-DEOSSOPVSA-N 1 3 385.596 3.566 20 0 GHADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001184451200 913229334 /nfs/dbraw/zinc/22/93/34/913229334.db2.gz OILAMIRFABZVEJ-VXKWHMMOSA-N 1 3 379.548 3.602 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)CC(F)(F)F ZINC000865418240 888336186 /nfs/dbraw/zinc/33/61/86/888336186.db2.gz CYILQQZTLBZSQW-CQSZACIVSA-N 1 3 381.483 3.685 20 0 GHADHO CCCCOc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195343742 888681817 /nfs/dbraw/zinc/68/18/17/888681817.db2.gz QCPDZYQMVMLXKA-UHFFFAOYSA-N 1 3 388.556 3.546 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635842 913416988 /nfs/dbraw/zinc/41/69/88/913416988.db2.gz DBOFQYFYBWMBJM-URXFXBBRSA-N 1 3 390.527 3.691 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635842 913416994 /nfs/dbraw/zinc/41/69/94/913416994.db2.gz DBOFQYFYBWMBJM-URXFXBBRSA-N 1 3 390.527 3.691 20 0 GHADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(CN2CCCC2)c1 ZINC000066410434 890942845 /nfs/dbraw/zinc/94/28/45/890942845.db2.gz NNDOQJKXRHQTNL-UHFFFAOYSA-N 1 3 391.559 3.719 20 0 GHADHO C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262638115 891710060 /nfs/dbraw/zinc/71/00/60/891710060.db2.gz IUVHFJLXBYKPHE-QFUCXCTJSA-N 1 3 385.577 3.973 20 0 GHADHO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508712608 892829459 /nfs/dbraw/zinc/82/94/59/892829459.db2.gz DEYJIBQJRHNVMG-PXNSSMCTSA-N 1 3 385.939 3.570 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(C4CCCCC4)CC3)CC2)CC1 ZINC000747990412 893370721 /nfs/dbraw/zinc/37/07/21/893370721.db2.gz KSLJJKWNAFUDOU-UHFFFAOYSA-N 1 3 390.616 3.547 20 0 GHADHO CCOc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc(Br)c1[O-] ZINC000459519938 893688934 /nfs/dbraw/zinc/68/89/34/893688934.db2.gz PZIKWJAHVIJMIQ-UHFFFAOYSA-N 1 3 383.330 3.517 20 0 GHADHO C[NH+](C)C1(C)CCC(NCc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 ZINC000877711455 893776770 /nfs/dbraw/zinc/77/67/70/893776770.db2.gz JWDMOCHWPKGSMC-UHFFFAOYSA-N 1 3 394.560 3.787 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C[N@@H+]1Cc1ccccc1 ZINC000563504826 893839259 /nfs/dbraw/zinc/83/92/59/893839259.db2.gz RSAWSAJWTJSHPT-MJGOQNOKSA-N 1 3 378.520 3.712 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C[N@H+]1Cc1ccccc1 ZINC000563504826 893839277 /nfs/dbraw/zinc/83/92/77/893839277.db2.gz RSAWSAJWTJSHPT-MJGOQNOKSA-N 1 3 378.520 3.712 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000563693179 894080912 /nfs/dbraw/zinc/08/09/12/894080912.db2.gz UYWSBJZOZIVCDZ-NHCUHLMSSA-N 1 3 388.943 3.552 20 0 GHADHO CN1CC[C@@H](C[NH2+]C2CCN(CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537094516 894332855 /nfs/dbraw/zinc/33/28/55/894332855.db2.gz JLAKTVGYRHPTTK-UWJYYQICSA-N 1 3 379.951 3.936 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC=C(c4cccc(C)c4)CC3)CC2)CC1 ZINC000564225030 894742742 /nfs/dbraw/zinc/74/27/42/894742742.db2.gz VLNPTRNTCKUYHH-UHFFFAOYSA-N 1 3 395.591 3.807 20 0 GHADHO c1cc([C@H]2CCN(Cc3cncc(C[N@@H+]4CC[C@@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665024 895165066 /nfs/dbraw/zinc/16/50/66/895165066.db2.gz DCFZKJCIOUUTMB-PLQXJYEYSA-N 1 3 399.542 3.851 20 0 GHADHO c1cc([C@H]2CCN(Cc3cncc(C[N@H+]4CC[C@@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665024 895165074 /nfs/dbraw/zinc/16/50/74/895165074.db2.gz DCFZKJCIOUUTMB-PLQXJYEYSA-N 1 3 399.542 3.851 20 0 GHADHO c1cc([C@H]2CC[N@@H+](Cc3cncc(CN4CC[C@@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665024 895165083 /nfs/dbraw/zinc/16/50/83/895165083.db2.gz DCFZKJCIOUUTMB-PLQXJYEYSA-N 1 3 399.542 3.851 20 0 GHADHO c1cc([C@H]2CC[N@H+](Cc3cncc(CN4CC[C@@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665024 895165089 /nfs/dbraw/zinc/16/50/89/895165089.db2.gz DCFZKJCIOUUTMB-PLQXJYEYSA-N 1 3 399.542 3.851 20 0 GHADHO Cc1ccccc1CN(CCCN1CC[NH+](C(C)C)CC1)Cc1ccccn1 ZINC000565047987 895367948 /nfs/dbraw/zinc/36/79/48/895367948.db2.gz IDJXAWUHAYLHLY-UHFFFAOYSA-N 1 3 380.580 3.808 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000565491707 895672704 /nfs/dbraw/zinc/67/27/04/895672704.db2.gz MRUUFRZHUTVWNU-NHCUHLMSSA-N 1 3 377.617 3.856 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc4c3OC(C)(C)C=C4)CC2)CC1 ZINC000880639010 895781434 /nfs/dbraw/zinc/78/14/34/895781434.db2.gz XBOCTADZCAGBCZ-UHFFFAOYSA-N 1 3 398.551 3.551 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(OCc2ccccc2)c1 ZINC000817902618 895953763 /nfs/dbraw/zinc/95/37/63/895953763.db2.gz VLUKAHNRQHUQIM-MOUTVQLLSA-N 1 3 380.532 3.809 20 0 GHADHO NC1(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C2CC3CC(C2)CC1C3 ZINC000817984599 895992478 /nfs/dbraw/zinc/99/24/78/895992478.db2.gz VLHABPQEJVSIEW-VKDPLSFKSA-N 1 3 397.563 3.783 20 0 GHADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000289091807 914031016 /nfs/dbraw/zinc/03/10/16/914031016.db2.gz BNOIGFTUFXMUFD-NRFANRHFSA-N 1 3 384.495 3.568 20 0 GHADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)c1ccccc1Br ZINC000818942507 896285959 /nfs/dbraw/zinc/28/59/59/896285959.db2.gz FKRNHANCQROUHI-FQEVSTJZSA-N 1 3 389.337 3.868 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@H](O)c2cccs2)CC1 ZINC000131271863 897390232 /nfs/dbraw/zinc/39/02/32/897390232.db2.gz GBPYKKSDVDOZAK-RXVVDRJESA-N 1 3 387.593 3.882 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)c(Cl)cc3OC)CC2)CC1 ZINC000567912509 897484585 /nfs/dbraw/zinc/48/45/85/897484585.db2.gz LCMQPOYWVGKTJJ-UHFFFAOYSA-N 1 3 393.959 3.792 20 0 GHADHO C[C@H](N[C@@H](Cn1ccnc1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000883386393 897548852 /nfs/dbraw/zinc/54/88/52/897548852.db2.gz FLQJLGKLBPLXDF-CVDCTZTESA-N 1 3 378.520 3.916 20 0 GHADHO CC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000568499365 897892786 /nfs/dbraw/zinc/89/27/86/897892786.db2.gz MMYWBNPAWOGIHL-SFYKDHMMSA-N 1 3 380.488 3.754 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](c2cccs2)C2CC2)CC1 ZINC000569036570 898291142 /nfs/dbraw/zinc/29/11/42/898291142.db2.gz JDFSMFFDBYALNL-QHCPKHFHSA-N 1 3 397.588 3.878 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](c4ccccc4)CC3)CC2)CC1 ZINC000569940107 899033974 /nfs/dbraw/zinc/03/39/74/899033974.db2.gz WQBAXTTZVNMHIX-JOCHJYFZSA-N 1 3 397.607 3.979 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000823966405 899317964 /nfs/dbraw/zinc/31/79/64/899317964.db2.gz NHFOZMOBHBRMAR-JTSKRJEESA-N 1 3 377.573 3.630 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000824302553 899514545 /nfs/dbraw/zinc/51/45/45/899514545.db2.gz WWKFBZNDYXHJKB-XFAGBWLFSA-N 1 3 396.531 3.522 20 0 GHADHO C[C@@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000824314202 899519448 /nfs/dbraw/zinc/51/94/48/899519448.db2.gz HQYHWJQEWZRTML-ROUUACIJSA-N 1 3 375.557 3.585 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc(SC)cc3)CC2)CC1 ZINC000570812920 899610607 /nfs/dbraw/zinc/61/06/07/899610607.db2.gz FJEHHENOFQUBGU-UHFFFAOYSA-N 1 3 375.582 3.568 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584958 899726295 /nfs/dbraw/zinc/72/62/95/899726295.db2.gz KLBRGOBITCQEBJ-BJLQDIEVSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584958 899726308 /nfs/dbraw/zinc/72/63/08/899726308.db2.gz KLBRGOBITCQEBJ-BJLQDIEVSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584958 899726319 /nfs/dbraw/zinc/72/63/19/899726319.db2.gz KLBRGOBITCQEBJ-BJLQDIEVSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584958 899726332 /nfs/dbraw/zinc/72/63/32/899726332.db2.gz KLBRGOBITCQEBJ-BJLQDIEVSA-N 1 3 390.535 3.818 20 0 GHADHO Cc1cccn2c(CN3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)cnc12 ZINC001136960978 899867292 /nfs/dbraw/zinc/86/72/92/899867292.db2.gz DIQNCPGQXIHHSP-UHFFFAOYSA-N 1 3 389.547 3.914 20 0 GHADHO Cc1cccn2c(CN3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cnc12 ZINC001136960978 899867302 /nfs/dbraw/zinc/86/73/02/899867302.db2.gz DIQNCPGQXIHHSP-UHFFFAOYSA-N 1 3 389.547 3.914 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000574904779 901047670 /nfs/dbraw/zinc/04/76/70/901047670.db2.gz IPQKQJXCHIPRPK-GMQQQROESA-N 1 3 388.552 3.647 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccccc1Cl ZINC000886527021 901124961 /nfs/dbraw/zinc/12/49/61/901124961.db2.gz XDAAYXHGPAQWCB-UFYCRDLUSA-N 1 3 397.950 3.713 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1Cl ZINC000886527021 901124966 /nfs/dbraw/zinc/12/49/66/901124966.db2.gz XDAAYXHGPAQWCB-UFYCRDLUSA-N 1 3 397.950 3.713 20 0 GHADHO O=C(NCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccccc1Cl ZINC000886527021 901124969 /nfs/dbraw/zinc/12/49/69/901124969.db2.gz XDAAYXHGPAQWCB-UFYCRDLUSA-N 1 3 397.950 3.713 20 0 GHADHO CC1CCN([C@@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)c2cccs2)CC1 ZINC000575732257 901263498 /nfs/dbraw/zinc/26/34/98/901263498.db2.gz VTTSRAWZULEUKS-FQEVSTJZSA-N 1 3 398.576 3.989 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cnccc1Cl)CC2 ZINC001137233437 901379437 /nfs/dbraw/zinc/37/94/37/901379437.db2.gz DSJBPOWXMMGTNQ-HXUWFJFHSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cnccc1Cl)CC2 ZINC001137233437 901379444 /nfs/dbraw/zinc/37/94/44/901379444.db2.gz DSJBPOWXMMGTNQ-HXUWFJFHSA-N 1 3 385.939 3.991 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4ccccc4)CCCC3)CC2)CC1 ZINC000576356599 901971591 /nfs/dbraw/zinc/97/15/91/901971591.db2.gz FFEKSYDPLAYWPB-UHFFFAOYSA-N 1 3 383.580 3.768 20 0 GHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000576861300 902309929 /nfs/dbraw/zinc/30/99/29/902309929.db2.gz UOJFAPLCIXLHLH-VEXUSMLFSA-N 1 3 392.499 3.754 20 0 GHADHO CCSc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000576865068 902314189 /nfs/dbraw/zinc/31/41/89/902314189.db2.gz XLZPFJKVOYWNGQ-UHFFFAOYSA-N 1 3 389.609 3.613 20 0 GHADHO Brc1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000576875124 902325943 /nfs/dbraw/zinc/32/59/43/902325943.db2.gz MLPQRLUSCZLUQV-JKSUJKDBSA-N 1 3 390.325 3.926 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000577163029 902556039 /nfs/dbraw/zinc/55/60/39/902556039.db2.gz OMLCDICPWRLMOQ-JOCHJYFZSA-N 1 3 398.595 3.551 20 0 GHADHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(N2CCCC2)n1 ZINC000577787181 903190819 /nfs/dbraw/zinc/19/08/19/903190819.db2.gz CEEURSMWAGCKRJ-XXBNENTESA-N 1 3 378.564 3.990 20 0 GHADHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(N2CCCC2)n1 ZINC000577787181 903190826 /nfs/dbraw/zinc/19/08/26/903190826.db2.gz CEEURSMWAGCKRJ-XXBNENTESA-N 1 3 378.564 3.990 20 0 GHADHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C3(C2)CCOCC3)cc1 ZINC000578148470 903561786 /nfs/dbraw/zinc/56/17/86/903561786.db2.gz LIQVISAGMFHRHZ-PKTZIBPZSA-N 1 3 398.591 3.854 20 0 GHADHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)n1[C@@H](C)c1ccccc1 ZINC001146978598 903652816 /nfs/dbraw/zinc/65/28/16/903652816.db2.gz VEKAMWPYMHCMSF-ICSRJNTNSA-N 1 3 398.595 3.716 20 0 GHADHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)n1[C@@H](C)c1ccccc1 ZINC001146978598 903652824 /nfs/dbraw/zinc/65/28/24/903652824.db2.gz VEKAMWPYMHCMSF-ICSRJNTNSA-N 1 3 398.595 3.716 20 0 GHADHO Cc1cc(N2CC[NH+](CC3CCOCC3)CC2)c2cc(OC(F)F)ccc2n1 ZINC000578685599 904051542 /nfs/dbraw/zinc/05/15/42/904051542.db2.gz KIFIDYLCRBIWLZ-UHFFFAOYSA-N 1 3 391.462 3.693 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000773014180 904374637 /nfs/dbraw/zinc/37/46/37/904374637.db2.gz ITCADQQUNMWUBG-JLSDUUJJSA-N 1 3 389.367 3.753 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N2CCC([NH+]3CCC3)CC2)C[C@H]1C(C)(C)C ZINC001171614401 904878311 /nfs/dbraw/zinc/87/83/11/904878311.db2.gz BBQVZONMVAIUSZ-MOPGFXCFSA-N 1 3 379.589 3.971 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)CC1(C)C ZINC001171638397 904927720 /nfs/dbraw/zinc/92/77/20/904927720.db2.gz VICUSNCNJYFQOM-HXUWFJFHSA-N 1 3 383.580 3.776 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC001172071834 905273710 /nfs/dbraw/zinc/27/37/10/905273710.db2.gz ZPLUWARSCGQJJU-ACDBMABISA-N 1 3 383.561 3.653 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC001172071834 905273725 /nfs/dbraw/zinc/27/37/25/905273725.db2.gz ZPLUWARSCGQJJU-ACDBMABISA-N 1 3 383.561 3.653 20 0 GHADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](O)c1cccc(O)c1 ZINC001172077012 905287083 /nfs/dbraw/zinc/28/70/83/905287083.db2.gz OCFXFFCMSMUPBQ-JHXDLCHDSA-N 1 3 380.532 3.989 20 0 GHADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)c1cccc(O)c1 ZINC001172077012 905287101 /nfs/dbraw/zinc/28/71/01/905287101.db2.gz OCFXFFCMSMUPBQ-JHXDLCHDSA-N 1 3 380.532 3.989 20 0 GHADHO O=C1COc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cc2N1 ZINC001172080386 905291806 /nfs/dbraw/zinc/29/18/06/905291806.db2.gz VAGRLATZQJXXQK-WKCHPHFGSA-N 1 3 391.515 3.693 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125888 905340154 /nfs/dbraw/zinc/34/01/54/905340154.db2.gz RDXVSPCVXBEDMG-BJWYYQGGSA-N 1 3 382.474 3.628 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125888 905340171 /nfs/dbraw/zinc/34/01/71/905340171.db2.gz RDXVSPCVXBEDMG-BJWYYQGGSA-N 1 3 382.474 3.628 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)c(OCC3CCOCC3)c(F)c1)C2 ZINC001172113404 905364447 /nfs/dbraw/zinc/36/44/47/905364447.db2.gz GWIMWGPKCYGUPA-REPLKXPHSA-N 1 3 394.506 3.875 20 0 GHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000174948130 905397260 /nfs/dbraw/zinc/39/72/60/905397260.db2.gz GQZRZUNRBDAYEF-HSZRJFAPSA-N 1 3 391.559 3.877 20 0 GHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000174948130 905397278 /nfs/dbraw/zinc/39/72/78/905397278.db2.gz GQZRZUNRBDAYEF-HSZRJFAPSA-N 1 3 391.559 3.877 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@@H]2C1 ZINC001172536187 905639669 /nfs/dbraw/zinc/63/96/69/905639669.db2.gz MGKGABZWVXHRDP-ZROJVYTPSA-N 1 3 395.591 3.591 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@@H]2C1 ZINC001172536187 905639674 /nfs/dbraw/zinc/63/96/74/905639674.db2.gz MGKGABZWVXHRDP-ZROJVYTPSA-N 1 3 395.591 3.591 20 0 GHADHO O=C1C[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC001172664729 905749835 /nfs/dbraw/zinc/74/98/35/905749835.db2.gz RTVPFSKZBROSHS-HSZRJFAPSA-N 1 3 383.580 3.812 20 0 GHADHO O=C1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC001172664729 905749843 /nfs/dbraw/zinc/74/98/43/905749843.db2.gz RTVPFSKZBROSHS-HSZRJFAPSA-N 1 3 383.580 3.812 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001172778483 905819373 /nfs/dbraw/zinc/81/93/73/905819373.db2.gz MPRJTNOFJLKIDI-ICSRJNTNSA-N 1 3 376.516 3.749 20 0 GHADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001172844015 905897055 /nfs/dbraw/zinc/89/70/55/905897055.db2.gz GEVVMSZHJJSMRX-KRWDZBQOSA-N 1 3 389.946 3.947 20 0 GHADHO C[C@H](CSc1ccc(Cl)cc1)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172885667 905972144 /nfs/dbraw/zinc/97/21/44/905972144.db2.gz SNIRGZNAYUGZID-QGZVFWFLSA-N 1 3 382.017 3.780 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001173630273 906580669 /nfs/dbraw/zinc/58/06/69/906580669.db2.gz GOOVEMXMRYRBTH-AZUAARDMSA-N 1 3 376.516 3.749 20 0 GHADHO COc1cc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000181415245 906996588 /nfs/dbraw/zinc/99/65/88/906996588.db2.gz BIAGODJMZHMGEO-OLMNPRSZSA-N 1 3 398.494 3.715 20 0 GHADHO c1ccc(CN2C[C@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCSC5)C4)[C@@H]3C2)cc1 ZINC000183154383 907339098 /nfs/dbraw/zinc/33/90/98/907339098.db2.gz JGNFUCXMGFATOQ-FWKCKQQBSA-N 1 3 386.605 3.931 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC001177294951 908499373 /nfs/dbraw/zinc/49/93/73/908499373.db2.gz UIRSOJOUWVNFLB-VMPITWQZSA-N 1 3 385.502 3.905 20 0 GHADHO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000638181600 910077817 /nfs/dbraw/zinc/07/78/17/910077817.db2.gz HWCXEBJHXVYVEA-VWNXMTODSA-N 1 3 385.596 3.725 20 0 GHADHO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000638181600 910077821 /nfs/dbraw/zinc/07/78/21/910077821.db2.gz HWCXEBJHXVYVEA-VWNXMTODSA-N 1 3 385.596 3.725 20 0 GHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ncc1F ZINC000273850614 911056194 /nfs/dbraw/zinc/05/61/94/911056194.db2.gz JUHWIYTTYKVJAW-MJBXVCDLSA-N 1 3 388.325 3.523 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000801922059 921630390 /nfs/dbraw/zinc/63/03/90/921630390.db2.gz DVIYWTWGBKWBJX-VQTJNVASSA-N 1 3 379.589 3.974 20 0 GHADHO COc1ccc([C@@H](NCCOCC[NH+](C)C)c2ccc(Cl)cc2)cc1C ZINC000774379917 911687382 /nfs/dbraw/zinc/68/73/82/911687382.db2.gz HVANXMXCXLHPSH-NRFANRHFSA-N 1 3 376.928 3.914 20 0 GHADHO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)[C@@H]1CCCN1CC1CC1 ZINC001182558471 911849862 /nfs/dbraw/zinc/84/98/62/911849862.db2.gz XIYHRYMXNOHIEW-PKTZIBPZSA-N 1 3 381.564 3.843 20 0 GHADHO CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000646947391 914943702 /nfs/dbraw/zinc/94/37/02/914943702.db2.gz YTADPAODSXGCQC-TZRRMPRUSA-N 1 3 391.559 3.503 20 0 GHADHO CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000646947391 914943714 /nfs/dbraw/zinc/94/37/14/914943714.db2.gz YTADPAODSXGCQC-TZRRMPRUSA-N 1 3 391.559 3.503 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)ccc1OC ZINC000775364224 917187669 /nfs/dbraw/zinc/18/76/69/917187669.db2.gz PLJWXCPNDQJZEX-QGZVFWFLSA-N 1 3 387.568 3.589 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCCC2=O)cc1CN1CCCCC1 ZINC000775385385 917324870 /nfs/dbraw/zinc/32/48/70/917324870.db2.gz KKACPXGBRKXMKJ-IBGZPJMESA-N 1 3 387.568 3.734 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000652362916 917882905 /nfs/dbraw/zinc/88/29/05/917882905.db2.gz SPPZQFKQVIATQE-YMPZKCBVSA-N 1 3 393.531 3.800 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3cccc4ccccc43)CC2)CC1 ZINC000654586668 919235328 /nfs/dbraw/zinc/23/53/28/919235328.db2.gz XOARVWBYKLQCMC-UHFFFAOYSA-N 1 3 379.548 3.999 20 0 GHADHO COCCOc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000902501871 922241908 /nfs/dbraw/zinc/24/19/08/922241908.db2.gz CRLPZMUWNUJGAY-LXBDKUERSA-N 1 3 382.504 3.618 20 0 GHADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502389 922243262 /nfs/dbraw/zinc/24/32/62/922243262.db2.gz DZIPXPXIOAVCRU-UQJUWTFNSA-N 1 3 393.531 3.812 20 0 GHADHO OC1(C(F)(F)F)CC(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)(c2ccccc2)C1 ZINC000903398472 922988135 /nfs/dbraw/zinc/98/81/35/922988135.db2.gz KCTKJJZKBCCPFJ-OYHIEOHYSA-N 1 3 394.481 3.759 20 0 GHADHO OC1(C(F)(F)F)CC(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)(c2ccccc2)C1 ZINC000903398472 922988144 /nfs/dbraw/zinc/98/81/44/922988144.db2.gz KCTKJJZKBCCPFJ-OYHIEOHYSA-N 1 3 394.481 3.759 20 0 GHADHO COc1cc(C[NH2+]C[C@H]2CNCCC2(F)F)ccc1OCc1ccc(F)cc1 ZINC000903957004 923434864 /nfs/dbraw/zinc/43/48/64/923434864.db2.gz OVBAPZVLKAEKQV-QGZVFWFLSA-N 1 3 394.437 3.748 20 0 GHADHO Cc1cc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc(C)c1OCc1ccccn1 ZINC000903958211 923437283 /nfs/dbraw/zinc/43/72/83/923437283.db2.gz XDYPORRROSFBEX-SFHVURJKSA-N 1 3 375.463 3.612 20 0 GHADHO C[C@H](C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1cccc(Br)c1 ZINC000370704505 924266570 /nfs/dbraw/zinc/26/65/70/924266570.db2.gz ZPFCCQSKQCPGLQ-HLIPFELVSA-N 1 3 394.401 3.510 20 0 GHADHO C[C@H](C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1cccc(Br)c1 ZINC000370704505 924266579 /nfs/dbraw/zinc/26/65/79/924266579.db2.gz ZPFCCQSKQCPGLQ-HLIPFELVSA-N 1 3 394.401 3.510 20 0 GHADHO CC(C)[NH+]1CCN(C2CCN(Cc3cc4ccccc4nc3Cl)CC2)CC1 ZINC000371342804 924535845 /nfs/dbraw/zinc/53/58/45/924535845.db2.gz CDYJTRWHFDJOBH-UHFFFAOYSA-N 1 3 386.971 3.879 20 0 GHADHO CCCc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000409468032 924670859 /nfs/dbraw/zinc/67/08/59/924670859.db2.gz DHJKDVNTODJCJY-UHFFFAOYSA-N 1 3 377.960 3.581 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000679394882 925122374 /nfs/dbraw/zinc/12/23/74/925122374.db2.gz RJLOUTGWGAFRTA-GPJHCHHRSA-N 1 3 381.564 3.563 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000679394882 925122383 /nfs/dbraw/zinc/12/23/83/925122383.db2.gz RJLOUTGWGAFRTA-GPJHCHHRSA-N 1 3 381.564 3.563 20 0 GHADHO c1cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc(C[NH+]2CCCCC2)c1 ZINC000411248702 926252793 /nfs/dbraw/zinc/25/27/93/926252793.db2.gz BQUDBUFLLOHWNY-OAQYLSRUSA-N 1 3 379.552 3.590 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411553143 926508603 /nfs/dbraw/zinc/50/86/03/926508603.db2.gz QTKOAXYSAHYVRY-RXVVDRJESA-N 1 3 376.504 3.779 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411553143 926508614 /nfs/dbraw/zinc/50/86/14/926508614.db2.gz QTKOAXYSAHYVRY-RXVVDRJESA-N 1 3 376.504 3.779 20 0 GHADHO C[C@@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)N(C)Cc1ccccc1 ZINC000751092929 928025046 /nfs/dbraw/zinc/02/50/46/928025046.db2.gz FRULITJGRHITAA-KPQWGBOZSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H]1C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000467685260 929302267 /nfs/dbraw/zinc/30/22/67/929302267.db2.gz GIKKUUMJDBMJJS-RDPSFJRHSA-N 1 3 391.559 3.678 20 0 GHADHO O=C(NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000469874162 930226682 /nfs/dbraw/zinc/22/66/82/930226682.db2.gz VGNRVHAIRLYYQG-FDDCHVKYSA-N 1 3 395.522 3.573 20 0 GHADHO CC(C)[NH+](CCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(C)C ZINC000470480533 930651079 /nfs/dbraw/zinc/65/10/79/930651079.db2.gz VQOVBGWFEWAWHJ-UHFFFAOYSA-N 1 3 388.600 3.631 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)N2CCCC2)cc1 ZINC000470733011 930867233 /nfs/dbraw/zinc/86/72/33/930867233.db2.gz MNQJBJDNVPYLAC-FYYLOGMGSA-N 1 3 398.595 3.505 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)N2CCCC2)cc1 ZINC000470733011 930867240 /nfs/dbraw/zinc/86/72/40/930867240.db2.gz MNQJBJDNVPYLAC-FYYLOGMGSA-N 1 3 398.595 3.505 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@@H]2CCC[C@@H]21 ZINC000796746579 932052386 /nfs/dbraw/zinc/05/23/86/932052386.db2.gz UBLMSTHUCXCGMG-ACRUOGEOSA-N 1 3 387.568 3.716 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@@H]2CCC[C@@H]21 ZINC000796746579 932052392 /nfs/dbraw/zinc/05/23/92/932052392.db2.gz UBLMSTHUCXCGMG-ACRUOGEOSA-N 1 3 387.568 3.716 20 0 GHADHO CCN(CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000798273026 932585557 /nfs/dbraw/zinc/58/55/57/932585557.db2.gz OTNXJJVDDHHDOQ-AZUAARDMSA-N 1 3 375.557 3.886 20 0 GHADHO CCN(CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000798273026 932585565 /nfs/dbraw/zinc/58/55/65/932585565.db2.gz OTNXJJVDDHHDOQ-AZUAARDMSA-N 1 3 375.557 3.886 20 0 GHADHO C[C@@H](NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000799178276 932900343 /nfs/dbraw/zinc/90/03/43/932900343.db2.gz QXALWJWVDOTFKM-LJQANCHMSA-N 1 3 379.548 3.825 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C[C@@H]1C(F)(F)F ZINC001119943402 934422101 /nfs/dbraw/zinc/42/21/01/934422101.db2.gz PBJMRJMXWWDQHA-TWMKSMIVSA-N 1 3 378.479 3.607 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000562204331 934758676 /nfs/dbraw/zinc/75/86/76/934758676.db2.gz AAXHCUFWTYFHSS-UHFFFAOYSA-N 1 3 397.966 3.582 20 0 GHADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)CN(C)C ZINC000830401939 935940663 /nfs/dbraw/zinc/94/06/63/935940663.db2.gz DNIQVESTMRDJMA-RLLQIKCJSA-N 1 3 375.557 3.915 20 0 GHADHO Cc1cc(C)cc([C@H](N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c2cccnc2)c1 ZINC000925042693 1017031682 /nfs/dbraw/zinc/03/16/82/1017031682.db2.gz VCKUBIZFICCGIV-LADGPHEKSA-N 1 3 378.564 3.546 20 0 GHADHO O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001221248185 1032347287 /nfs/dbraw/zinc/34/72/87/1032347287.db2.gz MLABULCLJMPIRV-SIKLNZKXSA-N 1 3 389.971 3.591 20 0 GHADHO CC(C)[PH+](CCNC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC001221254359 1032350274 /nfs/dbraw/zinc/35/02/74/1032350274.db2.gz MJXPALASNIPXNT-MRXNPFEDSA-N 1 3 376.403 3.990 20 0 GHADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC001221296931 1032366449 /nfs/dbraw/zinc/36/64/49/1032366449.db2.gz DBTUFCVRDPIQOC-AKIFATBCSA-N 1 3 398.595 3.728 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001221537095 1032452899 /nfs/dbraw/zinc/45/28/99/1032452899.db2.gz INOAVTDGALTRKG-PMOQBDJRSA-N 1 3 394.563 3.560 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001221537095 1032452904 /nfs/dbraw/zinc/45/29/04/1032452904.db2.gz INOAVTDGALTRKG-PMOQBDJRSA-N 1 3 394.563 3.560 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC001221604375 1032478250 /nfs/dbraw/zinc/47/82/50/1032478250.db2.gz WIEIEAUWRAXNQD-DEOSSOPVSA-N 1 3 394.563 3.602 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC001221604375 1032478255 /nfs/dbraw/zinc/47/82/55/1032478255.db2.gz WIEIEAUWRAXNQD-DEOSSOPVSA-N 1 3 394.563 3.602 20 0 GHADHO Cc1ccc([C@@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc2)c(C)c1 ZINC000925853081 1017162756 /nfs/dbraw/zinc/16/27/56/1017162756.db2.gz DVBVRRPSDGOVPJ-IRLDBZIGSA-N 1 3 378.516 3.668 20 0 GHADHO CCCc1nc(C)c(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)s1 ZINC000566570300 1019237179 /nfs/dbraw/zinc/23/71/79/1019237179.db2.gz HHDNAZKNIMRDDS-UHFFFAOYSA-N 1 3 378.586 3.539 20 0 GHADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000567684613 1019331702 /nfs/dbraw/zinc/33/17/02/1019331702.db2.gz MSSBOIFXFVXOSW-ZLNRFVROSA-N 1 3 382.548 3.616 20 0 GHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000567684613 1019331717 /nfs/dbraw/zinc/33/17/17/1019331717.db2.gz MSSBOIFXFVXOSW-ZLNRFVROSA-N 1 3 382.548 3.616 20 0 GHADHO C[C@H]([NH2+]CCc1csc(N2CCCC2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000577211663 1020146772 /nfs/dbraw/zinc/14/67/72/1020146772.db2.gz JJPBDFMZJYAZDK-ICSRJNTNSA-N 1 3 384.593 3.786 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c1 ZINC000579344927 1020407162 /nfs/dbraw/zinc/40/71/62/1020407162.db2.gz NCQUTECANOUMTG-NZQKXSOJSA-N 1 3 382.548 3.858 20 0 GHADHO COc1cccc2c1OCCC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000631619036 1020895730 /nfs/dbraw/zinc/89/57/30/1020895730.db2.gz XZHHEMHDSLBPDM-IRLDBZIGSA-N 1 3 396.531 3.655 20 0 GHADHO COc1cccc2c1OCCC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000631619036 1020895736 /nfs/dbraw/zinc/89/57/36/1020895736.db2.gz XZHHEMHDSLBPDM-IRLDBZIGSA-N 1 3 396.531 3.655 20 0 GHADHO Cc1c(C[C@H](CN)C[NH2+]CCC(c2ccccc2)c2ccccc2)cnn1C ZINC000903925212 1021658835 /nfs/dbraw/zinc/65/88/35/1021658835.db2.gz MGQHXJIULCVRRU-HXUWFJFHSA-N 1 3 376.548 3.658 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140451028 1021738579 /nfs/dbraw/zinc/73/85/79/1021738579.db2.gz GVLMNARJYXZEKA-NFBKMPQASA-N 1 3 397.588 3.990 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140451028 1021738595 /nfs/dbraw/zinc/73/85/95/1021738595.db2.gz GVLMNARJYXZEKA-NFBKMPQASA-N 1 3 397.588 3.990 20 0 GHADHO COC(=O)Cc1ccccc1C[NH+]1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC001140651499 1022164077 /nfs/dbraw/zinc/16/40/77/1022164077.db2.gz KSZZISSZEVVRLK-QFIPXVFZSA-N 1 3 396.531 3.872 20 0 GHADHO Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000754670639 1022822618 /nfs/dbraw/zinc/82/26/18/1022822618.db2.gz XEPPVECMTSDMKI-ROUUACIJSA-N 1 3 385.577 3.876 20 0 GHADHO Cc1ccc([C@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000754671872 1022823326 /nfs/dbraw/zinc/82/33/26/1022823326.db2.gz RLYZGMPABBGYMX-SFHVURJKSA-N 1 3 385.577 3.796 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccc5c(c4)OCCO5)CC[C@H]3C2)cc1 ZINC001141042494 1023366647 /nfs/dbraw/zinc/36/66/47/1023366647.db2.gz SWMJQKHTTLYZBO-VXKWHMMOSA-N 1 3 378.516 3.802 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccc5c(c4)OCCO5)CC[C@H]3C2)cc1 ZINC001141042494 1023366661 /nfs/dbraw/zinc/36/66/61/1023366661.db2.gz SWMJQKHTTLYZBO-VXKWHMMOSA-N 1 3 378.516 3.802 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC[C@H](C(=O)OCc3ccccc3)C2)cc1 ZINC001138773568 1025344818 /nfs/dbraw/zinc/34/48/18/1025344818.db2.gz HXIQZZJIMDTVEB-QFIPXVFZSA-N 1 3 396.531 3.582 20 0 GHADHO CC(C)N1CCN(c2ccc(N(CC[NH3+])c3cccc4ccccc43)cn2)CC1 ZINC001162005215 1025533449 /nfs/dbraw/zinc/53/34/49/1025533449.db2.gz AQZGXQDOWOHXKV-UHFFFAOYSA-N 1 3 389.547 3.862 20 0 GHADHO COCCC1(CNc2cccc(N3CCC([NH3+])CC3)n2)CCC(F)(F)CC1 ZINC001162007260 1025534485 /nfs/dbraw/zinc/53/44/85/1025534485.db2.gz JPTOLLFAGWZCOW-UHFFFAOYSA-N 1 3 382.499 3.653 20 0 GHADHO CCOc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004484 1025750928 /nfs/dbraw/zinc/75/09/28/1025750928.db2.gz XFEHCQREGSVKNJ-JOCHJYFZSA-N 1 3 396.531 3.965 20 0 GHADHO CCOc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004484 1025750940 /nfs/dbraw/zinc/75/09/40/1025750940.db2.gz XFEHCQREGSVKNJ-JOCHJYFZSA-N 1 3 396.531 3.965 20 0 GHADHO OC1CC[NH+](Cc2ccc(CNCc3cccc(OC(F)F)c3)cc2)CC1 ZINC001461157583 1069417861 /nfs/dbraw/zinc/41/78/61/1069417861.db2.gz FEVCICQQZVQELW-UHFFFAOYSA-N 1 3 376.447 3.535 20 0 GHADHO CN(CCN1CCC2(CC[N@H+](Cc3cccs3)C2)CC1)C(=O)OC(C)(C)C ZINC001202998127 1026849654 /nfs/dbraw/zinc/84/96/54/1026849654.db2.gz ULHVHOHUMJTEOZ-UHFFFAOYSA-N 1 3 393.597 3.903 20 0 GHADHO CN(CCN1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1)C(=O)OC(C)(C)C ZINC001202998127 1026849658 /nfs/dbraw/zinc/84/96/58/1026849658.db2.gz ULHVHOHUMJTEOZ-UHFFFAOYSA-N 1 3 393.597 3.903 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001141775453 1027214813 /nfs/dbraw/zinc/21/48/13/1027214813.db2.gz PGLNPZPMUKTXDY-JPYJTQIMSA-N 1 3 386.499 3.640 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001141775453 1027214832 /nfs/dbraw/zinc/21/48/32/1027214832.db2.gz PGLNPZPMUKTXDY-JPYJTQIMSA-N 1 3 386.499 3.640 20 0 GHADHO CC(=O)OCc1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001141795261 1027301361 /nfs/dbraw/zinc/30/13/61/1027301361.db2.gz AUZPLLMSHJDSCB-NHCUHLMSSA-N 1 3 382.504 3.687 20 0 GHADHO CC(=O)OCc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001141795261 1027301381 /nfs/dbraw/zinc/30/13/81/1027301381.db2.gz AUZPLLMSHJDSCB-NHCUHLMSSA-N 1 3 382.504 3.687 20 0 GHADHO C[N@@H+]1CCC[C@H](CNCc2ccc(-n3cncn3)c(F)c2)[C@@H]1c1cccs1 ZINC001461234781 1069455416 /nfs/dbraw/zinc/45/54/16/1069455416.db2.gz WXCOVJPCXGWQCH-OXQOHEQNSA-N 1 3 385.512 3.641 20 0 GHADHO C[N@H+]1CCC[C@H](CNCc2ccc(-n3cncn3)c(F)c2)[C@@H]1c1cccs1 ZINC001461234781 1069455417 /nfs/dbraw/zinc/45/54/17/1069455417.db2.gz WXCOVJPCXGWQCH-OXQOHEQNSA-N 1 3 385.512 3.641 20 0 GHADHO COc1cc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)ccc1OC(C)=O ZINC001203829873 1027639439 /nfs/dbraw/zinc/63/94/39/1027639439.db2.gz JCHPOLFDFVPMBF-UHFFFAOYSA-N 1 3 394.515 3.719 20 0 GHADHO COc1cc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)ccc1OC(C)=O ZINC001203829873 1027639442 /nfs/dbraw/zinc/63/94/42/1027639442.db2.gz JCHPOLFDFVPMBF-UHFFFAOYSA-N 1 3 394.515 3.719 20 0 GHADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001211270045 1027876300 /nfs/dbraw/zinc/87/63/00/1027876300.db2.gz SYLJPNUHCKFVLO-FGZHOGPDSA-N 1 3 398.595 3.530 20 0 GHADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001211270045 1027876325 /nfs/dbraw/zinc/87/63/25/1027876325.db2.gz SYLJPNUHCKFVLO-FGZHOGPDSA-N 1 3 398.595 3.530 20 0 GHADHO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1cccc3[nH]cnc31)CC2 ZINC001142679736 1029254147 /nfs/dbraw/zinc/25/41/47/1029254147.db2.gz KLELZQGPWALBFM-UHFFFAOYSA-N 1 3 379.508 3.798 20 0 GHADHO Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1cccc3[nH]cnc31)CC2 ZINC001142679736 1029254154 /nfs/dbraw/zinc/25/41/54/1029254154.db2.gz KLELZQGPWALBFM-UHFFFAOYSA-N 1 3 379.508 3.798 20 0 GHADHO Cc1noc(C)c1CN1CCCC12CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001142679736 1029254165 /nfs/dbraw/zinc/25/41/65/1029254165.db2.gz KLELZQGPWALBFM-UHFFFAOYSA-N 1 3 379.508 3.798 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684156 1029489512 /nfs/dbraw/zinc/48/95/12/1029489512.db2.gz XZCRFXIIQYLUMG-NZQKXSOJSA-N 1 3 396.531 3.524 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684156 1029489523 /nfs/dbraw/zinc/48/95/23/1029489523.db2.gz XZCRFXIIQYLUMG-NZQKXSOJSA-N 1 3 396.531 3.524 20 0 GHADHO CC(C)n1ncc2cc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c(Cl)nc21 ZINC000843127717 1029817737 /nfs/dbraw/zinc/81/77/37/1029817737.db2.gz SRICXXKDIRQISX-HOTGVXAUSA-N 1 3 375.948 3.877 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3n[nH]cc31)CC2 ZINC001143090443 1029839011 /nfs/dbraw/zinc/83/90/11/1029839011.db2.gz VSESVRWLTDZAPG-OAQYLSRUSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1scc3c1OCCO3)CC2 ZINC001143186189 1029890775 /nfs/dbraw/zinc/89/07/75/1029890775.db2.gz TZJZGZUPUFNCKO-UHFFFAOYSA-N 1 3 399.560 3.791 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1scc3c1OCCO3)CC2 ZINC001143186189 1029890784 /nfs/dbraw/zinc/89/07/84/1029890784.db2.gz TZJZGZUPUFNCKO-UHFFFAOYSA-N 1 3 399.560 3.791 20 0 GHADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000843363652 1029940634 /nfs/dbraw/zinc/94/06/34/1029940634.db2.gz HMCPIDJACHAIOG-GOSISDBHSA-N 1 3 396.362 3.732 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2CCCc2cccnc2)cc1 ZINC001222575253 1030205936 /nfs/dbraw/zinc/20/59/36/1030205936.db2.gz LWODKKSUOVSNKL-QHCPKHFHSA-N 1 3 379.548 3.818 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2CCCc2cccnc2)cc1 ZINC001222575253 1030205950 /nfs/dbraw/zinc/20/59/50/1030205950.db2.gz LWODKKSUOVSNKL-QHCPKHFHSA-N 1 3 379.548 3.818 20 0 GHADHO CCOC(=O)c1ccc2c(C[N@@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)c[nH]c2c1 ZINC001222614171 1030238174 /nfs/dbraw/zinc/23/81/74/1030238174.db2.gz BFXOABMDUYNDKY-OAQYLSRUSA-N 1 3 389.499 3.534 20 0 GHADHO CCOC(=O)c1ccc2c(C[N@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)c[nH]c2c1 ZINC001222614171 1030238182 /nfs/dbraw/zinc/23/81/82/1030238182.db2.gz BFXOABMDUYNDKY-OAQYLSRUSA-N 1 3 389.499 3.534 20 0 GHADHO Brc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(N2CCCCC2)c1 ZINC001222624325 1030247530 /nfs/dbraw/zinc/24/75/30/1030247530.db2.gz XKWNXLZFEDXBLR-CALCHBBNSA-N 1 3 392.385 3.871 20 0 GHADHO CC(=O)c1ccc(Oc2ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc2)cc1 ZINC001219227824 1031315373 /nfs/dbraw/zinc/31/53/73/1031315373.db2.gz OXCGYGHFUIBVPK-NRFANRHFSA-N 1 3 383.492 3.679 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001219940919 1031708308 /nfs/dbraw/zinc/70/83/08/1031708308.db2.gz IGQJYUMBNPOWGP-QPTUXGOLSA-N 1 3 391.559 3.898 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001219940919 1031708314 /nfs/dbraw/zinc/70/83/14/1031708314.db2.gz IGQJYUMBNPOWGP-QPTUXGOLSA-N 1 3 391.559 3.898 20 0 GHADHO Cc1ccc(CN2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)cc1F ZINC001205222256 1033312360 /nfs/dbraw/zinc/31/23/60/1033312360.db2.gz DYFPJISRAHWOAL-YMPZKCBVSA-N 1 3 390.543 3.614 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205637653 1033505484 /nfs/dbraw/zinc/50/54/84/1033505484.db2.gz ICLKROZCBPWXFS-UONOGXRCSA-N 1 3 377.916 3.805 20 0 GHADHO N[C@@H](CC(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1)c1cccc(C(F)(F)F)c1 ZINC001158031158 1033873919 /nfs/dbraw/zinc/87/39/19/1033873919.db2.gz HPTNDXQMZJWLMO-AZUAARDMSA-N 1 3 397.485 3.868 20 0 GHADHO CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC001207134483 1034117693 /nfs/dbraw/zinc/11/76/93/1034117693.db2.gz AFNSMKKTTJEJJX-IBGZPJMESA-N 1 3 379.589 3.876 20 0 GHADHO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@@H+](CC(C)(C)CN(C)C)C1 ZINC001207279641 1034233172 /nfs/dbraw/zinc/23/31/72/1034233172.db2.gz NLUZBLOBFXYEGO-DEOSSOPVSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](CC(C)(C)CN(C)C)C1 ZINC001207279641 1034233188 /nfs/dbraw/zinc/23/31/88/1034233188.db2.gz NLUZBLOBFXYEGO-DEOSSOPVSA-N 1 3 394.563 3.514 20 0 GHADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158977026 1034366708 /nfs/dbraw/zinc/36/67/08/1034366708.db2.gz PZHPADBBFFTZKF-YADHBBJMSA-N 1 3 381.564 3.737 20 0 GHADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158977026 1034366718 /nfs/dbraw/zinc/36/67/18/1034366718.db2.gz PZHPADBBFFTZKF-YADHBBJMSA-N 1 3 381.564 3.737 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1ccccc1F)CC2 ZINC001207499058 1034402837 /nfs/dbraw/zinc/40/28/37/1034402837.db2.gz QOYVSPMEHLOSQQ-QFIPXVFZSA-N 1 3 397.538 3.766 20 0 GHADHO Cc1ccc([C@H](C)CC[N@@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001208157195 1034761125 /nfs/dbraw/zinc/76/11/25/1034761125.db2.gz UXSCZKRORLIBJW-JMUQELJHSA-N 1 3 383.536 3.700 20 0 GHADHO Cc1ccc([C@H](C)CC[N@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001208157195 1034761139 /nfs/dbraw/zinc/76/11/39/1034761139.db2.gz UXSCZKRORLIBJW-JMUQELJHSA-N 1 3 383.536 3.700 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cc(C)nc(C)c1)CC2 ZINC001231997701 1035032661 /nfs/dbraw/zinc/03/26/61/1035032661.db2.gz FHEXAPDTSLZDCP-HSZRJFAPSA-N 1 3 394.563 3.597 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cc(C)nc(C)c1)CC2 ZINC001231997701 1035032666 /nfs/dbraw/zinc/03/26/66/1035032666.db2.gz FHEXAPDTSLZDCP-HSZRJFAPSA-N 1 3 394.563 3.597 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001232095102 1035092305 /nfs/dbraw/zinc/09/23/05/1035092305.db2.gz VXZPDBGSDOXHTI-IBGZPJMESA-N 1 3 396.560 3.880 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001232095102 1035092312 /nfs/dbraw/zinc/09/23/12/1035092312.db2.gz VXZPDBGSDOXHTI-IBGZPJMESA-N 1 3 396.560 3.880 20 0 GHADHO O=C1CCC2(CCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)N1CC1CC1 ZINC001208933662 1035099524 /nfs/dbraw/zinc/09/95/24/1035099524.db2.gz DUWDRJJUKVHKCP-HSZRJFAPSA-N 1 3 395.591 3.766 20 0 GHADHO O=C1CCC2(CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)N1CC1CC1 ZINC001208933662 1035099532 /nfs/dbraw/zinc/09/95/32/1035099532.db2.gz DUWDRJJUKVHKCP-HSZRJFAPSA-N 1 3 395.591 3.766 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[NH+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC001208940598 1035109519 /nfs/dbraw/zinc/10/95/19/1035109519.db2.gz FFFCOUJZWKEYFM-OAQYLSRUSA-N 1 3 399.579 3.841 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c1 ZINC001232146397 1035123723 /nfs/dbraw/zinc/12/37/23/1035123723.db2.gz PGKMYKWXEMHVFI-YADHBBJMSA-N 1 3 383.511 3.511 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c1 ZINC001232146397 1035123729 /nfs/dbraw/zinc/12/37/29/1035123729.db2.gz PGKMYKWXEMHVFI-YADHBBJMSA-N 1 3 383.511 3.511 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232146383 1035123882 /nfs/dbraw/zinc/12/38/82/1035123882.db2.gz OVZZIKNLJKPVTO-QGZVFWFLSA-N 1 3 393.547 3.966 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232146383 1035123886 /nfs/dbraw/zinc/12/38/86/1035123886.db2.gz OVZZIKNLJKPVTO-QGZVFWFLSA-N 1 3 393.547 3.966 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CCC3(CCN(C(=O)c4ccco4)C3)CC2)c1 ZINC001232148566 1035126308 /nfs/dbraw/zinc/12/63/08/1035126308.db2.gz QOTFIZASKDQZBF-UHFFFAOYSA-N 1 3 399.510 3.609 20 0 GHADHO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H](N)CCCc2ccccc2)CC1 ZINC001161057659 1035128561 /nfs/dbraw/zinc/12/85/61/1035128561.db2.gz DDFVTNMPBXPZEW-QHCPKHFHSA-N 1 3 397.538 3.599 20 0 GHADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H](N)CCCc2ccccc2)CC1 ZINC001161057659 1035128562 /nfs/dbraw/zinc/12/85/62/1035128562.db2.gz DDFVTNMPBXPZEW-QHCPKHFHSA-N 1 3 397.538 3.599 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208956575 1035129628 /nfs/dbraw/zinc/12/96/28/1035129628.db2.gz BQTLZUIDBPOMDP-NFBKMPQASA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208956575 1035129635 /nfs/dbraw/zinc/12/96/35/1035129635.db2.gz BQTLZUIDBPOMDP-NFBKMPQASA-N 1 3 387.568 3.745 20 0 GHADHO Cc1ccc(CN(C(=O)[C@@](C)(N)Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161401857 1035223897 /nfs/dbraw/zinc/22/38/97/1035223897.db2.gz WNHWTAUFWNYCNJ-FIXSFTCYSA-N 1 3 397.538 3.693 20 0 GHADHO C[C@H](C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)c1cccc(Oc2ccccc2)c1 ZINC001161447823 1035232930 /nfs/dbraw/zinc/23/29/30/1035232930.db2.gz ZCHFPSBUECMETN-FPOVZHCZSA-N 1 3 395.547 3.725 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccnc(OC)c4)CC3)CC2)c1 ZINC001209639481 1035340339 /nfs/dbraw/zinc/34/03/39/1035340339.db2.gz PURIHNWICJJDND-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001462117558 1070008280 /nfs/dbraw/zinc/00/82/80/1070008280.db2.gz RJCSDTLMTVLKPQ-OFNKIYASSA-N 1 3 389.559 3.760 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001462117558 1070008300 /nfs/dbraw/zinc/00/83/00/1070008300.db2.gz RJCSDTLMTVLKPQ-OFNKIYASSA-N 1 3 389.559 3.760 20 0 GHADHO O[C@H](CN[C@@H](c1ccccc1F)C1CC[NH2+]CC1)COc1ccc(Cl)cc1 ZINC001245996627 1037116370 /nfs/dbraw/zinc/11/63/70/1037116370.db2.gz ATBFSHUGTPBLJU-DYESRHJHSA-N 1 3 392.902 3.549 20 0 GHADHO Cc1ccc2c(c1)[C@@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)CC21CC[NH2+]CC1 ZINC001246132871 1037209981 /nfs/dbraw/zinc/20/99/81/1037209981.db2.gz IONXMLQXQPTRLB-AVRDEDQJSA-N 1 3 398.572 3.513 20 0 GHADHO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246152845 1037215969 /nfs/dbraw/zinc/21/59/69/1037215969.db2.gz QSBHKSUPPXAFGM-IPELMVKDSA-N 1 3 381.358 3.519 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@H]3CCN[C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246238319 1037250771 /nfs/dbraw/zinc/25/07/71/1037250771.db2.gz KTOYYAPLUIPVPC-BJKOFHAPSA-N 1 3 381.539 3.743 20 0 GHADHO Cc1cccc2c1C1(C[C@H]2N[C@H](C)CS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC001246244616 1037251388 /nfs/dbraw/zinc/25/13/88/1037251388.db2.gz BLLQFUGLEANREJ-WIYYLYMNSA-N 1 3 398.572 3.513 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)CCN1 ZINC001246276612 1037273919 /nfs/dbraw/zinc/27/39/19/1037273919.db2.gz DJQJSLGWPSXQRT-AZKGINQHSA-N 1 3 379.523 3.647 20 0 GHADHO CC[C@@H]1C[C@@H](NCC(Cc2ccccc2)(Cc2ccccc2)C(=O)OC)CC[NH2+]1 ZINC001246327330 1037295575 /nfs/dbraw/zinc/29/55/75/1037295575.db2.gz INLNHJAQUSAPPF-PKTZIBPZSA-N 1 3 394.559 3.751 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)C[C@H](C)N1 ZINC001246416574 1037373022 /nfs/dbraw/zinc/37/30/22/1037373022.db2.gz SBNRDRVUHFFDNU-HGKCTWBKSA-N 1 3 395.385 3.907 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H](NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246427407 1037384579 /nfs/dbraw/zinc/38/45/79/1037384579.db2.gz GAVUQLXINUNFOE-AEFFLSMTSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246427407 1037384600 /nfs/dbraw/zinc/38/46/00/1037384600.db2.gz GAVUQLXINUNFOE-AEFFLSMTSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@H]1CCC[C@H](NC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246430555 1037391055 /nfs/dbraw/zinc/39/10/55/1037391055.db2.gz NCFVXVHYYNCCAE-YJBOKZPZSA-N 1 3 398.469 3.996 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246430552 1037391452 /nfs/dbraw/zinc/39/14/52/1037391452.db2.gz NCFVXVHYYNCCAE-CRAIPNDOSA-N 1 3 398.469 3.996 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([NH2+]C1(Cc3cccc(F)c3)CCNCC1)CC2 ZINC001246449716 1037409722 /nfs/dbraw/zinc/40/97/22/1037409722.db2.gz CHQUZNPGUKSZFG-FUHYEJFZSA-N 1 3 388.527 3.592 20 0 GHADHO Oc1ccc(Br)c(CC[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246505452 1037446082 /nfs/dbraw/zinc/44/60/82/1037446082.db2.gz WJAPRXVXNRUFGQ-QZTJIDSGSA-N 1 3 389.337 3.650 20 0 GHADHO CC[C@@H]1C[C@H](NC[C@H]2COc3ccc(Br)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246508950 1037447323 /nfs/dbraw/zinc/44/73/23/1037447323.db2.gz GZNAGQRZSDSRMO-VIBAHUMZSA-N 1 3 381.358 3.899 20 0 GHADHO CCCC[C@@H]1C[C@H](NC[C@@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246508110 1037448131 /nfs/dbraw/zinc/44/81/31/1037448131.db2.gz CZRFQSJMDNNLIX-ZTFGCOKTSA-N 1 3 381.358 3.901 20 0 GHADHO COc1ccc2c(c1)C1(CC[NH2+]CC1)N([C@H]1CCc3c(cccc3OC)C1)CC2 ZINC001246637116 1037521559 /nfs/dbraw/zinc/52/15/59/1037521559.db2.gz LGUAQQSXTKORQD-FQEVSTJZSA-N 1 3 392.543 3.698 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+]3CCCC[C@@]34CCCNC4)CC[C@H]2C1 ZINC001246655290 1037528939 /nfs/dbraw/zinc/52/89/39/1037528939.db2.gz YVYWCZOGWSYCLW-UCKMRUJXSA-N 1 3 395.591 3.926 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCCC[C@@]34CCCNC4)CC[C@H]2C1 ZINC001246655290 1037528945 /nfs/dbraw/zinc/52/89/45/1037528945.db2.gz YVYWCZOGWSYCLW-UCKMRUJXSA-N 1 3 395.591 3.926 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H](N3CCCC[C@@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246655290 1037528955 /nfs/dbraw/zinc/52/89/55/1037528955.db2.gz YVYWCZOGWSYCLW-UCKMRUJXSA-N 1 3 395.591 3.926 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246672157 1037536936 /nfs/dbraw/zinc/53/69/36/1037536936.db2.gz KLWOKELKCVHVIX-PQNGQFLHSA-N 1 3 378.516 3.816 20 0 GHADHO COC(=O)[C@@H]1CCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677258 1037543879 /nfs/dbraw/zinc/54/38/79/1037543879.db2.gz MGYDGQOMPLKOJY-GPJHCHHRSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677258 1037543888 /nfs/dbraw/zinc/54/38/88/1037543888.db2.gz MGYDGQOMPLKOJY-GPJHCHHRSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@@H]1CC[N@H+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677258 1037543900 /nfs/dbraw/zinc/54/39/00/1037543900.db2.gz MGYDGQOMPLKOJY-GPJHCHHRSA-N 1 3 378.516 3.586 20 0 GHADHO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246678638 1037544275 /nfs/dbraw/zinc/54/42/75/1037544275.db2.gz PAJQHRFHVATMDP-PKTZIBPZSA-N 1 3 380.532 3.805 20 0 GHADHO CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246678638 1037544292 /nfs/dbraw/zinc/54/42/92/1037544292.db2.gz PAJQHRFHVATMDP-PKTZIBPZSA-N 1 3 380.532 3.805 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CC[C@]3(c4ccccc4)CCNC[C@H]3C1)CC2 ZINC001246687105 1037548380 /nfs/dbraw/zinc/54/83/80/1037548380.db2.gz VABXQFHSVSEBHY-AZQWGEHQSA-N 1 3 396.575 3.752 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@]3(c4ccccc4)CCNC[C@H]3C1)CC2 ZINC001246687105 1037548393 /nfs/dbraw/zinc/54/83/93/1037548393.db2.gz VABXQFHSVSEBHY-AZQWGEHQSA-N 1 3 396.575 3.752 20 0 GHADHO CC[C@@H]1C[C@@H](N2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@H](CC)[NH2+]1 ZINC001246705823 1037559768 /nfs/dbraw/zinc/55/97/68/1037559768.db2.gz BCNHWSQZVACSEE-WEMPKCCASA-N 1 3 389.609 3.985 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2CCN[C@H](Cc3ccccc3)C2)o1 ZINC001246711567 1037565468 /nfs/dbraw/zinc/56/54/68/1037565468.db2.gz YORYRCMASXLBHN-AWAHEQQVSA-N 1 3 379.548 3.600 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@H]2CCN[C@H](Cc3ccccc3)C2)o1 ZINC001246711567 1037565487 /nfs/dbraw/zinc/56/54/87/1037565487.db2.gz YORYRCMASXLBHN-AWAHEQQVSA-N 1 3 379.548 3.600 20 0 GHADHO CC(C)[C@@H]1C[C@@H](N2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756132 1037598119 /nfs/dbraw/zinc/59/81/19/1037598119.db2.gz MXMNKLNRTSFPLO-RJGXRXQPSA-N 1 3 389.559 3.521 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CCC3(C[C@@H](CC(=O)NC)c4ccccc43)CC2)CC[NH2+]1 ZINC001246768296 1037610443 /nfs/dbraw/zinc/61/04/43/1037610443.db2.gz UBFIYLMQRKIODS-NJDAHSKKSA-N 1 3 397.607 3.954 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH+]2CCC3(C[C@@H](CC(=O)NC)c4ccccc43)CC2)CCN1 ZINC001246768296 1037610457 /nfs/dbraw/zinc/61/04/57/1037610457.db2.gz UBFIYLMQRKIODS-NJDAHSKKSA-N 1 3 397.607 3.954 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246807366 1037640156 /nfs/dbraw/zinc/64/01/56/1037640156.db2.gz QQIPNNZUSOWBKE-BZSNNMDCSA-N 1 3 380.374 3.562 20 0 GHADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246836331 1037666333 /nfs/dbraw/zinc/66/63/33/1037666333.db2.gz XHQHNXRMJPIXKI-MOUTVQLLSA-N 1 3 381.539 3.552 20 0 GHADHO COc1ccccc1OC1CC[NH+]([C@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246850164 1037673821 /nfs/dbraw/zinc/67/38/21/1037673821.db2.gz HMOPOSCAULPBOH-RTWAWAEBSA-N 1 3 380.532 3.902 20 0 GHADHO COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246851019 1037677792 /nfs/dbraw/zinc/67/77/92/1037677792.db2.gz AGWVQGNLUCNEBH-QNWVGRARSA-N 1 3 382.548 3.802 20 0 GHADHO COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246851019 1037677814 /nfs/dbraw/zinc/67/78/14/1037677814.db2.gz AGWVQGNLUCNEBH-QNWVGRARSA-N 1 3 382.548 3.802 20 0 GHADHO Fc1cc(C(F)(F)F)ccc1N1CCN([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246866359 1037685580 /nfs/dbraw/zinc/68/55/80/1037685580.db2.gz BSXNJUVNAOXMBG-MRXNPFEDSA-N 1 3 385.449 3.889 20 0 GHADHO COC(=O)c1ccc(C[C@@H](C)N(Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001246935354 1037739278 /nfs/dbraw/zinc/73/92/78/1037739278.db2.gz HEHIIWXOGVSMMV-QGZVFWFLSA-N 1 3 384.495 3.798 20 0 GHADHO COC(=O)c1ccc(C[C@@H](C)[N@H+](Cc2cccc(F)c2)C2CCNCC2)cc1 ZINC001246935354 1037739291 /nfs/dbraw/zinc/73/92/91/1037739291.db2.gz HEHIIWXOGVSMMV-QGZVFWFLSA-N 1 3 384.495 3.798 20 0 GHADHO COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2cccc(F)c2)C2CCNCC2)cc1 ZINC001246935354 1037739305 /nfs/dbraw/zinc/73/93/05/1037739305.db2.gz HEHIIWXOGVSMMV-QGZVFWFLSA-N 1 3 384.495 3.798 20 0 GHADHO CC[C@H]1C[C@H]([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936931 1037742084 /nfs/dbraw/zinc/74/20/84/1037742084.db2.gz KOLDCJVBUUVJIV-MOPGFXCFSA-N 1 3 381.358 3.961 20 0 GHADHO CC[C@H]1C[C@H]([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936931 1037742100 /nfs/dbraw/zinc/74/21/00/1037742100.db2.gz KOLDCJVBUUVJIV-MOPGFXCFSA-N 1 3 381.358 3.961 20 0 GHADHO COC(=O)CC1CCC([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246965774 1037788508 /nfs/dbraw/zinc/78/85/08/1037788508.db2.gz RXCDXSHOLZYGRS-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)CC1CCC([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246965774 1037788525 /nfs/dbraw/zinc/78/85/25/1037788525.db2.gz RXCDXSHOLZYGRS-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO CCCCOC(=O)CC[C@@H](C)[N@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001246969652 1037792321 /nfs/dbraw/zinc/79/23/21/1037792321.db2.gz ZTKBQGPMAVQOPV-GOSISDBHSA-N 1 3 376.541 3.761 20 0 GHADHO CCCCOC(=O)CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001246969652 1037792337 /nfs/dbraw/zinc/79/23/37/1037792337.db2.gz ZTKBQGPMAVQOPV-GOSISDBHSA-N 1 3 376.541 3.761 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247000851 1037826464 /nfs/dbraw/zinc/82/64/64/1037826464.db2.gz HDJMGRYGFUBFOX-FQEVSTJZSA-N 1 3 378.516 3.873 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651808 1038439113 /nfs/dbraw/zinc/43/91/13/1038439113.db2.gz WKYQUMVPKKYRKG-GKVQRAMASA-N 1 3 387.531 3.757 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651808 1038439119 /nfs/dbraw/zinc/43/91/19/1038439119.db2.gz WKYQUMVPKKYRKG-GKVQRAMASA-N 1 3 387.531 3.757 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3cccc(SC(F)(F)F)c3)CC2)CC1 ZINC001232947314 1038724502 /nfs/dbraw/zinc/72/45/02/1038724502.db2.gz ZDAZISQCNUZXGY-UHFFFAOYSA-N 1 3 387.515 3.758 20 0 GHADHO CC[N@H+](CCCNC(=O)N1CCN(C2CCCCC2)CC1)C1CCCCC1 ZINC001252695657 1039083545 /nfs/dbraw/zinc/08/35/45/1039083545.db2.gz DUOFUTRDURLYSK-UHFFFAOYSA-N 1 3 378.605 3.691 20 0 GHADHO CC[N@@H+](CCCNC(=O)N1CCN(C2CCCCC2)CC1)C1CCCCC1 ZINC001252695657 1039083565 /nfs/dbraw/zinc/08/35/65/1039083565.db2.gz DUOFUTRDURLYSK-UHFFFAOYSA-N 1 3 378.605 3.691 20 0 GHADHO O[C@@]1(CN[C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948017 1039291638 /nfs/dbraw/zinc/29/16/38/1039291638.db2.gz IFNUOMCLYLDLIH-BJKOFHAPSA-N 1 3 398.522 3.520 20 0 GHADHO O[C@@]1(CN[C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948017 1039291650 /nfs/dbraw/zinc/29/16/50/1039291650.db2.gz IFNUOMCLYLDLIH-BJKOFHAPSA-N 1 3 398.522 3.520 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1Cl ZINC001253103057 1039425173 /nfs/dbraw/zinc/42/51/73/1039425173.db2.gz GJJFUBBPNJMEPZ-QGZVFWFLSA-N 1 3 387.955 3.947 20 0 GHADHO O[C@H](CCOCc1ccccc1)C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001253269901 1039515398 /nfs/dbraw/zinc/51/53/98/1039515398.db2.gz DKKHENVLDAHBJA-HSZRJFAPSA-N 1 3 398.547 3.535 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C[C@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352031 1039564405 /nfs/dbraw/zinc/56/44/05/1039564405.db2.gz UDIQZGGVELMLHQ-SFTDATJTSA-N 1 3 390.474 3.968 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C[C@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352031 1039564419 /nfs/dbraw/zinc/56/44/19/1039564419.db2.gz UDIQZGGVELMLHQ-SFTDATJTSA-N 1 3 390.474 3.968 20 0 GHADHO COc1ccc([C@@H]2CCC[N@@H+]2CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001254036761 1039967447 /nfs/dbraw/zinc/96/74/47/1039967447.db2.gz KWLBYNJKPXQLDJ-QHCPKHFHSA-N 1 3 380.532 3.859 20 0 GHADHO COc1ccc([C@@H]2CCC[N@H+]2CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001254036761 1039967449 /nfs/dbraw/zinc/96/74/49/1039967449.db2.gz KWLBYNJKPXQLDJ-QHCPKHFHSA-N 1 3 380.532 3.859 20 0 GHADHO OC1(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254036573 1039967633 /nfs/dbraw/zinc/96/76/33/1039967633.db2.gz IIAAMYILOVBSSV-UHFFFAOYSA-N 1 3 398.522 3.696 20 0 GHADHO COc1cccc(C2([NH2+]CC3(O)CCN(Cc4ccccc4)CC3)CCC2)c1 ZINC001254052976 1039977332 /nfs/dbraw/zinc/97/73/32/1039977332.db2.gz BNTMAOGVNIKSEE-UHFFFAOYSA-N 1 3 380.532 3.691 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](N2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001254298061 1040149012 /nfs/dbraw/zinc/14/90/12/1040149012.db2.gz YHTSFBZYLACEMW-HXUWFJFHSA-N 1 3 387.568 3.812 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)CCN(Cc2ccccc2)C1 ZINC001462450429 1070261363 /nfs/dbraw/zinc/26/13/63/1070261363.db2.gz IFKRIHWRQIDQKO-DHLKQENFSA-N 1 3 397.607 3.869 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)CCN(Cc2ccccc2)C1 ZINC001462450429 1070261371 /nfs/dbraw/zinc/26/13/71/1070261371.db2.gz IFKRIHWRQIDQKO-DHLKQENFSA-N 1 3 397.607 3.869 20 0 GHADHO COc1cccc(CC2([NH3+])CCN(C3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC001254618874 1040389702 /nfs/dbraw/zinc/38/97/02/1040389702.db2.gz DUNAIFWVJCCSAL-UHFFFAOYSA-N 1 3 397.538 3.839 20 0 GHADHO Ic1cccc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235151704 1040642721 /nfs/dbraw/zinc/64/27/21/1040642721.db2.gz AJRGERHGMWOHFL-QGZVFWFLSA-N 1 3 384.305 3.645 20 0 GHADHO CC(C)(C)OC(=O)NC1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255125952 1040818184 /nfs/dbraw/zinc/81/81/84/1040818184.db2.gz IHSBCPGEOXXMKJ-ACDBMABISA-N 1 3 385.552 3.829 20 0 GHADHO CC(C)(C)OC(=O)NC1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255125952 1040818199 /nfs/dbraw/zinc/81/81/99/1040818199.db2.gz IHSBCPGEOXXMKJ-ACDBMABISA-N 1 3 385.552 3.829 20 0 GHADHO COc1ccnc(C2(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC001255130798 1040823703 /nfs/dbraw/zinc/82/37/03/1040823703.db2.gz ATKDVDYKGFSNGI-MZADTFQBSA-N 1 3 377.532 3.907 20 0 GHADHO COc1ccnc(C2(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001255130798 1040823710 /nfs/dbraw/zinc/82/37/10/1040823710.db2.gz ATKDVDYKGFSNGI-MZADTFQBSA-N 1 3 377.532 3.907 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131031 1040824764 /nfs/dbraw/zinc/82/47/64/1040824764.db2.gz LUGRYZRRWCNVEA-ODAXIHTASA-N 1 3 376.548 3.836 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131031 1040824775 /nfs/dbraw/zinc/82/47/75/1040824775.db2.gz LUGRYZRRWCNVEA-ODAXIHTASA-N 1 3 376.548 3.836 20 0 GHADHO c1ccc(C2(C[N@@H+]3CC[C@]4(c5ccccc5)CCNC[C@@H]4C3)CCOCC2)cc1 ZINC001235364088 1040851455 /nfs/dbraw/zinc/85/14/55/1040851455.db2.gz KUTKANWNSLRLPS-RSXGOPAZSA-N 1 3 390.571 3.988 20 0 GHADHO c1ccc(C2(C[N@H+]3CC[C@]4(c5ccccc5)CCNC[C@@H]4C3)CCOCC2)cc1 ZINC001235364088 1040851464 /nfs/dbraw/zinc/85/14/64/1040851464.db2.gz KUTKANWNSLRLPS-RSXGOPAZSA-N 1 3 390.571 3.988 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@@]4(C[C@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142057 1040851390 /nfs/dbraw/zinc/85/13/90/1040851390.db2.gz FREMXEXHBSDGOS-VCDBXAJLSA-N 1 3 396.575 3.842 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@@]4(C[C@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142057 1040851403 /nfs/dbraw/zinc/85/14/03/1040851403.db2.gz FREMXEXHBSDGOS-VCDBXAJLSA-N 1 3 396.575 3.842 20 0 GHADHO O=C(C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1)N1CCCC1 ZINC001255145787 1040858395 /nfs/dbraw/zinc/85/83/95/1040858395.db2.gz UWKKFXUXQIOOKR-JKHIJQBDSA-N 1 3 381.564 3.516 20 0 GHADHO O=C(C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)N1CCCC1 ZINC001255145787 1040858410 /nfs/dbraw/zinc/85/84/10/1040858410.db2.gz UWKKFXUXQIOOKR-JKHIJQBDSA-N 1 3 381.564 3.516 20 0 GHADHO FC1(F)CN(C2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)C1 ZINC001255145563 1040858847 /nfs/dbraw/zinc/85/88/47/1040858847.db2.gz RBLMHDIWHYCXPX-WKCHPHFGSA-N 1 3 375.507 3.597 20 0 GHADHO FC1(F)CN(C2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1 ZINC001255145563 1040858862 /nfs/dbraw/zinc/85/88/62/1040858862.db2.gz RBLMHDIWHYCXPX-WKCHPHFGSA-N 1 3 375.507 3.597 20 0 GHADHO Cc1cccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1OCc1ccccc1 ZINC001235371259 1040872340 /nfs/dbraw/zinc/87/23/40/1040872340.db2.gz YIGVSMBDRYZPQG-CQOQZXRMSA-N 1 3 378.516 3.527 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001255187265 1040893415 /nfs/dbraw/zinc/89/34/15/1040893415.db2.gz CCSVNMSLUXRPSP-WKPBDKHMSA-N 1 3 397.563 3.639 20 0 GHADHO Clc1cc(OCc2ccccc2)ccc1CN1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235379371 1040900343 /nfs/dbraw/zinc/90/03/43/1040900343.db2.gz OXFSBVHLVMIRPN-KJXAQDMKSA-N 1 3 398.934 3.872 20 0 GHADHO CN(C)c1ccc(Br)cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431203 1040932241 /nfs/dbraw/zinc/93/22/41/1040932241.db2.gz YNOQRMMKHTXZCT-CVEARBPZSA-N 1 3 380.374 3.727 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H](N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001255350055 1040955858 /nfs/dbraw/zinc/95/58/58/1040955858.db2.gz OOUIHJKNMABICT-HKUYNNGSSA-N 1 3 378.944 3.798 20 0 GHADHO COCCOc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)cc1OC ZINC001255392615 1040980498 /nfs/dbraw/zinc/98/04/98/1040980498.db2.gz JVKSEKOTBMPJKX-QFIPXVFZSA-N 1 3 398.547 3.865 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)C1 ZINC001255401190 1040987640 /nfs/dbraw/zinc/98/76/40/1040987640.db2.gz ROTPEPDGLWUEKG-JWQCQUIFSA-N 1 3 399.623 3.864 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)C1 ZINC001255401190 1040987647 /nfs/dbraw/zinc/98/76/47/1040987647.db2.gz ROTPEPDGLWUEKG-JWQCQUIFSA-N 1 3 399.623 3.864 20 0 GHADHO c1ccc(CCN2CCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255402123 1040988420 /nfs/dbraw/zinc/98/84/20/1040988420.db2.gz DWYWSRCPACCWIE-VWLOTQADSA-N 1 3 377.576 3.901 20 0 GHADHO c1ccc(CCN2CCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255402123 1040988421 /nfs/dbraw/zinc/98/84/21/1040988421.db2.gz DWYWSRCPACCWIE-VWLOTQADSA-N 1 3 377.576 3.901 20 0 GHADHO Cc1cccnc1N1CCCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255402686 1040989970 /nfs/dbraw/zinc/98/99/70/1040989970.db2.gz LUTPYGNUSNKWBX-QHCPKHFHSA-N 1 3 378.564 3.957 20 0 GHADHO Cc1cccnc1N1CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255402686 1040989972 /nfs/dbraw/zinc/98/99/72/1040989972.db2.gz LUTPYGNUSNKWBX-QHCPKHFHSA-N 1 3 378.564 3.957 20 0 GHADHO COc1cccc(OC)c1CN1CCC(n2ccc3c2cccc3C[NH3+])CC1 ZINC001255921731 1041410467 /nfs/dbraw/zinc/41/04/67/1041410467.db2.gz LZKWFPGXBPZOIU-UHFFFAOYSA-N 1 3 379.504 3.954 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)Cc3cccc(OC)c3)cc2)CC1 ZINC001256149766 1041589956 /nfs/dbraw/zinc/58/99/56/1041589956.db2.gz RCJXFBCVMDFTTD-HXUWFJFHSA-N 1 3 381.564 3.554 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236235904 1041637446 /nfs/dbraw/zinc/63/74/46/1041637446.db2.gz GHYJVXQJDYLODA-NNWRFLSQSA-N 1 3 399.579 3.571 20 0 GHADHO [NH3+]C1(Cc2cccnc2)CCN(C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001256305981 1041693796 /nfs/dbraw/zinc/69/37/96/1041693796.db2.gz KDLCMVAWWQLWCS-UHFFFAOYSA-N 1 3 384.955 3.740 20 0 GHADHO Clc1ccc(N2CCC([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)CC2)cc1 ZINC001256305673 1041693829 /nfs/dbraw/zinc/69/38/29/1041693829.db2.gz FIZRGWATEZBHKK-XGAFWQRZSA-N 1 3 377.960 3.542 20 0 GHADHO CC[NH+](CC)CCCN1CCN(C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001256314555 1041698914 /nfs/dbraw/zinc/69/89/14/1041698914.db2.gz JUDRINJLAZONIK-UHFFFAOYSA-N 1 3 393.019 3.658 20 0 GHADHO COc1cc(Br)c(CN(CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236552519 1041759668 /nfs/dbraw/zinc/75/96/68/1041759668.db2.gz RIXOTZZZDAVWNA-SHTZXODSSA-N 1 3 397.357 3.948 20 0 GHADHO COc1ccc(Br)c(CN(C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236572186 1041766900 /nfs/dbraw/zinc/76/69/00/1041766900.db2.gz TYFOKDIXIOTWEK-CTYIDZIISA-N 1 3 382.346 3.867 20 0 GHADHO Cc1cc(-c2cccc(Cl)c2)ncc1CN1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001236619653 1041785940 /nfs/dbraw/zinc/78/59/40/1041785940.db2.gz ASYKMWRRSHICIP-HXUWFJFHSA-N 1 3 384.955 3.708 20 0 GHADHO CC(C)c1ccc(CN2CC[C@H](N3CCC([NH3+])CC3)C2)c(Br)c1 ZINC001236622398 1041788753 /nfs/dbraw/zinc/78/87/53/1041788753.db2.gz MXYXQUDWFSGUTC-SFHVURJKSA-N 1 3 380.374 3.570 20 0 GHADHO CN1CC[NH+](C2CCN(Cc3ccc(-c4ccc(F)cc4F)cc3)CC2)CC1 ZINC001237663508 1042311417 /nfs/dbraw/zinc/31/14/17/1042311417.db2.gz SWIAZUOHMZAOAS-UHFFFAOYSA-N 1 3 385.502 3.844 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N4CCCCC4)C3)cc21 ZINC001237880920 1042407242 /nfs/dbraw/zinc/40/72/42/1042407242.db2.gz LMJHWIGWDDOGOR-OAQYLSRUSA-N 1 3 381.564 3.912 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@@H](C(=O)N4CCCCC4)C3)cc21 ZINC001237880920 1042407244 /nfs/dbraw/zinc/40/72/44/1042407244.db2.gz LMJHWIGWDDOGOR-OAQYLSRUSA-N 1 3 381.564 3.912 20 0 GHADHO CC[N@H+]1CC=C(c2cnc(-c3cccc(CN4CCN(C)CC4)c3)c(C)c2)CC1 ZINC001240287644 1042918650 /nfs/dbraw/zinc/91/86/50/1042918650.db2.gz QRVXJLZWWBVTQI-UHFFFAOYSA-N 1 3 390.575 3.913 20 0 GHADHO CC[N@@H+]1CC=C(c2cnc(-c3cccc(CN4CCN(C)CC4)c3)c(C)c2)CC1 ZINC001240287644 1042918653 /nfs/dbraw/zinc/91/86/53/1042918653.db2.gz QRVXJLZWWBVTQI-UHFFFAOYSA-N 1 3 390.575 3.913 20 0 GHADHO CN1CCN(Cc2ccc(-c3ccc(CO[C@@H]4CCCC[C@H]4[NH3+])cc3)cc2)CC1 ZINC001240408623 1042927086 /nfs/dbraw/zinc/92/70/86/1042927086.db2.gz NIBRZHMFUFTAAS-JWQCQUIFSA-N 1 3 393.575 3.888 20 0 GHADHO CCOC(=O)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC001256527956 1043456563 /nfs/dbraw/zinc/45/65/63/1043456563.db2.gz BRQQUCOUPWTDHU-UEVCKROQSA-N 1 3 380.532 3.976 20 0 GHADHO CCOC(=O)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC001256527956 1043456585 /nfs/dbraw/zinc/45/65/85/1043456585.db2.gz BRQQUCOUPWTDHU-UEVCKROQSA-N 1 3 380.532 3.976 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256529956 1043461609 /nfs/dbraw/zinc/46/16/09/1043461609.db2.gz ZGYHDVBQWGJCJC-SFLYRZDNSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256529956 1043461619 /nfs/dbraw/zinc/46/16/19/1043461619.db2.gz ZGYHDVBQWGJCJC-SFLYRZDNSA-N 1 3 379.548 3.535 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](C1CCN(C(C)(C)C)CC1)C2 ZINC001256569846 1043543013 /nfs/dbraw/zinc/54/30/13/1043543013.db2.gz QLIGPOAQCMYQPT-JOCHJYFZSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](C1CCN(C(C)(C)C)CC1)C2 ZINC001256569846 1043543022 /nfs/dbraw/zinc/54/30/22/1043543022.db2.gz QLIGPOAQCMYQPT-JOCHJYFZSA-N 1 3 379.589 3.972 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3CCN(C(C)(C)C)CC3)C[C@H]21 ZINC001256571042 1043544668 /nfs/dbraw/zinc/54/46/68/1043544668.db2.gz AVOJVQJRKSTGTH-WWPVKYPJSA-N 1 3 384.612 3.877 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CCN(C(C)(C)C)CC3)C[C@H]21 ZINC001256571042 1043544674 /nfs/dbraw/zinc/54/46/74/1043544674.db2.gz AVOJVQJRKSTGTH-WWPVKYPJSA-N 1 3 384.612 3.877 20 0 GHADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1cccc(SC(F)(F)F)c1)C2 ZINC001278955130 1043602885 /nfs/dbraw/zinc/60/28/85/1043602885.db2.gz IMCPEAFZBYWCGE-UHFFFAOYSA-N 1 3 387.515 3.758 20 0 GHADHO FC(F)(F)c1cccnc1[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256685378 1043620775 /nfs/dbraw/zinc/62/07/75/1043620775.db2.gz DSACMOGPRBTUSD-HTWSVDAQSA-N 1 3 383.458 3.785 20 0 GHADHO CC(C)[NH+]1CCC(N2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001257215439 1043939992 /nfs/dbraw/zinc/93/99/92/1043939992.db2.gz CLXNLFCPJIQKQN-OAQYLSRUSA-N 1 3 375.582 3.549 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257646295 1044097906 /nfs/dbraw/zinc/09/79/06/1044097906.db2.gz IARZOAIBHLXRLE-BJLQDIEVSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257646295 1044097921 /nfs/dbraw/zinc/09/79/21/1044097921.db2.gz IARZOAIBHLXRLE-BJLQDIEVSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@@H](C[NH3+])CN(Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257646295 1044097935 /nfs/dbraw/zinc/09/79/35/1044097935.db2.gz IARZOAIBHLXRLE-BJLQDIEVSA-N 1 3 375.557 3.871 20 0 GHADHO O=C1CCC2(CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)N1CC1CC1 ZINC001258143883 1044431120 /nfs/dbraw/zinc/43/11/20/1044431120.db2.gz OVXJTACXNIEFDZ-UHFFFAOYSA-N 1 3 395.591 3.561 20 0 GHADHO CCC[NH+](CCC)CCCN1CCN(C2CCN(c3ccccc3)CC2)CC1 ZINC001258516571 1044594498 /nfs/dbraw/zinc/59/44/98/1044594498.db2.gz LFVWWWQHXJABDC-UHFFFAOYSA-N 1 3 386.628 3.785 20 0 GHADHO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294743542 1044779816 /nfs/dbraw/zinc/77/98/16/1044779816.db2.gz BSWLGVIOZLKUPZ-OALUTQOASA-N 1 3 390.620 3.587 20 0 GHADHO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294743542 1044779834 /nfs/dbraw/zinc/77/98/34/1044779834.db2.gz BSWLGVIOZLKUPZ-OALUTQOASA-N 1 3 390.620 3.587 20 0 GHADHO COc1cc(C[C@@H](C)[N@@H+]2CCCC[C@@H]2CCN2CCCC2)cc(OC)c1OC ZINC001258872115 1044813470 /nfs/dbraw/zinc/81/34/70/1044813470.db2.gz NYSQGFDDJJUAAW-UYAOXDASSA-N 1 3 390.568 3.984 20 0 GHADHO COc1cc(C[C@@H](C)[N@H+]2CCCC[C@@H]2CCN2CCCC2)cc(OC)c1OC ZINC001258872115 1044813493 /nfs/dbraw/zinc/81/34/93/1044813493.db2.gz NYSQGFDDJJUAAW-UYAOXDASSA-N 1 3 390.568 3.984 20 0 GHADHO COc1cc(C[C@@H](C)[N@@H+]2CCCC[C@H]2CCN2CCCC2)cc(OC)c1OC ZINC001258872114 1044815220 /nfs/dbraw/zinc/81/52/20/1044815220.db2.gz NYSQGFDDJJUAAW-QUCCMNQESA-N 1 3 390.568 3.984 20 0 GHADHO COc1cc(C[C@@H](C)[N@H+]2CCCC[C@H]2CCN2CCCC2)cc(OC)c1OC ZINC001258872114 1044815246 /nfs/dbraw/zinc/81/52/46/1044815246.db2.gz NYSQGFDDJJUAAW-QUCCMNQESA-N 1 3 390.568 3.984 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)N1CCOCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001258910210 1044863571 /nfs/dbraw/zinc/86/35/71/1044863571.db2.gz OILBYDRNKINMMO-LJQANCHMSA-N 1 3 397.604 3.599 20 0 GHADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccc(Br)cc3)(C1)CCC2 ZINC001279143237 1047729918 /nfs/dbraw/zinc/72/99/18/1047729918.db2.gz PSZODHWHELKLKO-MOPGFXCFSA-N 1 3 397.357 3.594 20 0 GHADHO Cn1c(Br)ccc1C[NH2+][C@@]12CC[C@@](NCc3ccc[nH]3)(C1)CCC2 ZINC001279880741 1047979192 /nfs/dbraw/zinc/97/91/92/1047979192.db2.gz GJHFCAQGSURBQN-MOPGFXCFSA-N 1 3 391.357 3.841 20 0 GHADHO CCCC[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306685570 1048811651 /nfs/dbraw/zinc/81/16/51/1048811651.db2.gz GVCYORJYJBAXBG-OALUTQOASA-N 1 3 392.636 3.518 20 0 GHADHO CCCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306685570 1048811669 /nfs/dbraw/zinc/81/16/69/1048811669.db2.gz GVCYORJYJBAXBG-OALUTQOASA-N 1 3 392.636 3.518 20 0 GHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518727 1049361746 /nfs/dbraw/zinc/36/17/46/1049361746.db2.gz VVUPLTCDVXHSFZ-PMACEKPBSA-N 1 3 379.589 3.687 20 0 GHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518727 1049361752 /nfs/dbraw/zinc/36/17/52/1049361752.db2.gz VVUPLTCDVXHSFZ-PMACEKPBSA-N 1 3 379.589 3.687 20 0 GHADHO CN(C)C(=O)c1ccc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[nH]1 ZINC001308194525 1049907605 /nfs/dbraw/zinc/90/76/05/1049907605.db2.gz ZCOBEKMRUMQLTO-UHFFFAOYSA-N 1 3 390.531 3.735 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001290890851 1049945497 /nfs/dbraw/zinc/94/54/97/1049945497.db2.gz HKQLUPVMOZMFLT-JPYJTQIMSA-N 1 3 389.559 3.747 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001290890851 1049945502 /nfs/dbraw/zinc/94/55/02/1049945502.db2.gz HKQLUPVMOZMFLT-JPYJTQIMSA-N 1 3 389.559 3.747 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccc(F)c(F)c2F)CC1 ZINC001308344282 1049953917 /nfs/dbraw/zinc/95/39/17/1049953917.db2.gz ZPVPBRHQXQVJFM-UHFFFAOYSA-N 1 3 391.481 3.968 20 0 GHADHO CC(C)(C)[C@]1(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001308693422 1050061514 /nfs/dbraw/zinc/06/15/14/1050061514.db2.gz TWXBHTBSYURXBA-VMIIQTFKSA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001308693422 1050061520 /nfs/dbraw/zinc/06/15/20/1050061520.db2.gz TWXBHTBSYURXBA-VMIIQTFKSA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CCN(Cc2ccccc2)C1 ZINC001308693422 1050061526 /nfs/dbraw/zinc/06/15/26/1050061526.db2.gz TWXBHTBSYURXBA-VMIIQTFKSA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CCN(Cc2ccccc2)C1 ZINC001308693422 1050061531 /nfs/dbraw/zinc/06/15/31/1050061531.db2.gz TWXBHTBSYURXBA-VMIIQTFKSA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)CCN1CCC([NH2+][C@H]2COc3cccc(Br)c3C2)CC1 ZINC001308913489 1050162226 /nfs/dbraw/zinc/16/22/26/1050162226.db2.gz QKGUYLFWWCKOCD-MRXNPFEDSA-N 1 3 381.358 3.853 20 0 GHADHO CCCN(C(=O)N[C@H](C)C[NH+](CC)CC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001311749532 1052373375 /nfs/dbraw/zinc/37/33/75/1052373375.db2.gz LZWAFKVBNJKNJS-IRLDBZIGSA-N 1 3 388.600 3.803 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)CC2)CC1 ZINC001312641902 1052821257 /nfs/dbraw/zinc/82/12/57/1052821257.db2.gz PYOVVSMGRAJHBB-CBNMVNINSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)CC1 ZINC001312641902 1052821259 /nfs/dbraw/zinc/82/12/59/1052821259.db2.gz PYOVVSMGRAJHBB-CBNMVNINSA-N 1 3 392.632 3.649 20 0 GHADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC001312754417 1052858858 /nfs/dbraw/zinc/85/88/58/1052858858.db2.gz UHHCARXIJHSIGJ-LJQANCHMSA-N 1 3 392.613 3.527 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC(C)(C)C[NH+]2CCCC2)N(C)C)cc1 ZINC001312818744 1052881850 /nfs/dbraw/zinc/88/18/50/1052881850.db2.gz OHKXCOLBRIYOPW-NRFANRHFSA-N 1 3 388.600 3.661 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC001313117430 1052961240 /nfs/dbraw/zinc/96/12/40/1052961240.db2.gz PICDHSQGEPGICM-QETWGEEDSA-N 1 3 390.616 3.545 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC001313117430 1052961241 /nfs/dbraw/zinc/96/12/41/1052961241.db2.gz PICDHSQGEPGICM-QETWGEEDSA-N 1 3 390.616 3.545 20 0 GHADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC001313172702 1052976273 /nfs/dbraw/zinc/97/62/73/1052976273.db2.gz ZQUIIFKECZYZHW-QFIPXVFZSA-N 1 3 390.616 3.691 20 0 GHADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC001313172702 1052976275 /nfs/dbraw/zinc/97/62/75/1052976275.db2.gz ZQUIIFKECZYZHW-QFIPXVFZSA-N 1 3 390.616 3.691 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2CC[N@H+](CC)C(C)C)C[C@@H]1C ZINC001313816240 1053243818 /nfs/dbraw/zinc/24/38/18/1053243818.db2.gz TWPKVGBJTZAQBQ-OALUTQOASA-N 1 3 390.620 3.585 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2CC[N@@H+](CC)C(C)C)C[C@@H]1C ZINC001313816240 1053243828 /nfs/dbraw/zinc/24/38/28/1053243828.db2.gz TWPKVGBJTZAQBQ-OALUTQOASA-N 1 3 390.620 3.585 20 0 GHADHO N[C@H](CC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)c1ccccc1 ZINC001342867687 1053398816 /nfs/dbraw/zinc/39/88/16/1053398816.db2.gz OTMJGDRPCPXQOH-JOCHJYFZSA-N 1 3 377.532 3.690 20 0 GHADHO CC(C)c1ccc(C2(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCC2)cc1 ZINC001318230744 1054514082 /nfs/dbraw/zinc/51/40/82/1054514082.db2.gz XTDODNKVFIGIBD-UHFFFAOYSA-N 1 3 397.607 3.907 20 0 GHADHO C[C@@H](NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC001319193152 1055090321 /nfs/dbraw/zinc/09/03/21/1055090321.db2.gz WFCMVODRTRUARY-QGZVFWFLSA-N 1 3 381.520 3.826 20 0 GHADHO COc1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC000848575374 1057189087 /nfs/dbraw/zinc/18/90/87/1057189087.db2.gz PKWXUPQNUFGZBA-HOTGVXAUSA-N 1 3 383.330 3.573 20 0 GHADHO COc1cc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC000848575374 1057189091 /nfs/dbraw/zinc/18/90/91/1057189091.db2.gz PKWXUPQNUFGZBA-HOTGVXAUSA-N 1 3 383.330 3.573 20 0 GHADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000849002975 1057511576 /nfs/dbraw/zinc/51/15/76/1057511576.db2.gz PEGWDVZZEQHLCD-HNNXBMFYSA-N 1 3 377.945 3.562 20 0 GHADHO CC(C)(C)Oc1cccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000849050490 1057559310 /nfs/dbraw/zinc/55/93/10/1057559310.db2.gz UDUNTRAMQRMAOI-UHFFFAOYSA-N 1 3 395.551 3.537 20 0 GHADHO C[S@](=O)c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1 ZINC001327211101 1057622353 /nfs/dbraw/zinc/62/23/53/1057622353.db2.gz VHZAUXYBVAMZSD-ZBLYBZFDSA-N 1 3 382.573 3.816 20 0 GHADHO COCCC[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(F)cc1 ZINC001339892749 1059541947 /nfs/dbraw/zinc/54/19/47/1059541947.db2.gz JBSSJFXISXXWPR-DEOSSOPVSA-N 1 3 399.554 3.831 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006307 1061974390 /nfs/dbraw/zinc/97/43/90/1061974390.db2.gz BPPKELJVWWKZRS-DNQXCXABSA-N 1 3 391.559 3.598 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006307 1061974395 /nfs/dbraw/zinc/97/43/95/1061974395.db2.gz BPPKELJVWWKZRS-DNQXCXABSA-N 1 3 391.559 3.598 20 0 GHADHO CC(C)(CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC001463553429 1064455133 /nfs/dbraw/zinc/45/51/33/1064455133.db2.gz UROGDMGFUQBXHM-LJQANCHMSA-N 1 3 393.522 3.525 20 0 GHADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001477764339 1078558125 /nfs/dbraw/zinc/55/81/25/1078558125.db2.gz GMUJKFFDBBVKGH-OAQYLSRUSA-N 1 3 388.600 3.805 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)N(C)C)cc1 ZINC001468351917 1067699128 /nfs/dbraw/zinc/69/91/28/1067699128.db2.gz SEYMURMTAPHJRN-YADHBBJMSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)N(C)C)cc1 ZINC001468351917 1067699132 /nfs/dbraw/zinc/69/91/32/1067699132.db2.gz SEYMURMTAPHJRN-YADHBBJMSA-N 1 3 386.584 3.694 20 0 GHADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC001468387968 1067714237 /nfs/dbraw/zinc/71/42/37/1067714237.db2.gz OMNUMRCJTUSKEX-JOCHJYFZSA-N 1 3 398.595 3.792 20 0 GHADHO Cc1ccc(O[C@H](C)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849101661 1067728244 /nfs/dbraw/zinc/72/82/44/1067728244.db2.gz AGQKPCKYXAZPDW-LJQANCHMSA-N 1 3 380.536 3.541 20 0 GHADHO [NH2+]=C(NC[C@H](c1ccccc1)C1CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849103091 1067729379 /nfs/dbraw/zinc/72/93/79/1067729379.db2.gz GXJVUEXDMYLIKA-HSZRJFAPSA-N 1 3 376.548 3.959 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccc(Cl)c1Cl ZINC001468950447 1067936623 /nfs/dbraw/zinc/93/66/23/1067936623.db2.gz MKBIXZCMAWUXRH-UONOGXRCSA-N 1 3 389.371 3.626 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccc(Cl)c1Cl ZINC001468950447 1067936626 /nfs/dbraw/zinc/93/66/26/1067936626.db2.gz MKBIXZCMAWUXRH-UONOGXRCSA-N 1 3 389.371 3.626 20 0 GHADHO C[NH+](C)CCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CCCC1 ZINC001477925898 1078630970 /nfs/dbraw/zinc/63/09/70/1078630970.db2.gz CGJYFPDBPOSOAP-JOCHJYFZSA-N 1 3 386.584 3.729 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001470026970 1068530454 /nfs/dbraw/zinc/53/04/54/1068530454.db2.gz VSDUHBLSPGOMRD-HOTGVXAUSA-N 1 3 387.490 3.587 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001470026970 1068530465 /nfs/dbraw/zinc/53/04/65/1068530465.db2.gz VSDUHBLSPGOMRD-HOTGVXAUSA-N 1 3 387.490 3.587 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC001478700890 1078960248 /nfs/dbraw/zinc/96/02/48/1078960248.db2.gz KKRFDPUCGYEUCU-XLIONFOSSA-N 1 3 392.613 3.575 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC001478700890 1078960250 /nfs/dbraw/zinc/96/02/50/1078960250.db2.gz KKRFDPUCGYEUCU-XLIONFOSSA-N 1 3 392.613 3.575 20 0 GHADHO OC[C@@]1(N(Cc2ccccc2)Cc2ccc(C[NH+]3CCCCC3)cc2)CCOC1 ZINC001473467968 1073979730 /nfs/dbraw/zinc/97/97/30/1073979730.db2.gz KFZQNUFNRVQOBV-VWLOTQADSA-N 1 3 394.559 3.826 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H]3CCCC34CCCCC4)cc2)CC1 ZINC001473640762 1074062584 /nfs/dbraw/zinc/06/25/84/1074062584.db2.gz XZLDLRDMDJPYQP-QFIPXVFZSA-N 1 3 398.595 3.860 20 0 GHADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)cc1 ZINC001473705024 1074098248 /nfs/dbraw/zinc/09/82/48/1074098248.db2.gz YRVRMIKLSKLPPQ-QFIPXVFZSA-N 1 3 399.579 3.557 20 0 GHADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719499 1074106105 /nfs/dbraw/zinc/10/61/05/1074106105.db2.gz XJJTYYQJGNVABA-LUGTWXOSSA-N 1 3 384.564 3.810 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC001473935859 1074210228 /nfs/dbraw/zinc/21/02/28/1074210228.db2.gz GADAPTNHWBBHFR-WIOPSUGQSA-N 1 3 399.623 3.899 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC001473996566 1074229920 /nfs/dbraw/zinc/22/99/20/1074229920.db2.gz VALHJDVNUHANRQ-HXUWFJFHSA-N 1 3 379.548 3.875 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC001474713888 1074530302 /nfs/dbraw/zinc/53/03/02/1074530302.db2.gz LUCJZHNRVCMEMM-ONCXSQPRSA-N 1 3 379.589 3.875 20 0 GHADHO CC[C@@H](C)[N@H+](C)CCn1c([C@@H](C)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001495776798 1079429469 /nfs/dbraw/zinc/42/94/69/1079429469.db2.gz DUNHVAKQDMLNOH-RBUKOAKNSA-N 1 3 390.620 3.587 20 0 GHADHO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001495776798 1079429471 /nfs/dbraw/zinc/42/94/71/1079429471.db2.gz DUNHVAKQDMLNOH-RBUKOAKNSA-N 1 3 390.620 3.587 20 0 GHADHO CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001495776794 1079429701 /nfs/dbraw/zinc/42/97/01/1079429701.db2.gz DUNHVAKQDMLNOH-MOPGFXCFSA-N 1 3 390.620 3.587 20 0 GHADHO CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@H+](C)[C@@H](C)CC ZINC001495776794 1079429705 /nfs/dbraw/zinc/42/97/05/1079429705.db2.gz DUNHVAKQDMLNOH-MOPGFXCFSA-N 1 3 390.620 3.587 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2ccc(S(C)(=O)=O)s2)C[N@@H+]1Cc1ccccc1 ZINC000414364814 837390479 /nfs/dbraw/zinc/39/04/79/837390479.db2.gz JQDPYYIFOWIHGL-SJLPKXTDSA-N 1 3 392.590 3.542 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2ccc(S(C)(=O)=O)s2)C[N@H+]1Cc1ccccc1 ZINC000414364814 837390491 /nfs/dbraw/zinc/39/04/91/837390491.db2.gz JQDPYYIFOWIHGL-SJLPKXTDSA-N 1 3 392.590 3.542 20 0 GHADHO C[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414092225 837483062 /nfs/dbraw/zinc/48/30/62/837483062.db2.gz FEVYQQNCNLCEJJ-IBGZPJMESA-N 1 3 382.552 3.551 20 0 GHADHO C[NH+]1CCC(O)(CN[C@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414114855 837600780 /nfs/dbraw/zinc/60/07/80/837600780.db2.gz MGNOHAZUJGRIKA-LJQANCHMSA-N 1 3 389.337 3.585 20 0 GHADHO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696706 837687821 /nfs/dbraw/zinc/68/78/21/837687821.db2.gz JLYKBVLOHBAEGW-YADARESESA-N 1 3 395.547 3.955 20 0 GHADHO C[C@H]1C[C@H]1c1noc(CC2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC000651954755 835217995 /nfs/dbraw/zinc/21/79/95/835217995.db2.gz TXNAKWQMKGOIIS-LAUBAEHRSA-N 1 3 398.551 3.588 20 0 GHADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCCN3C3CCCC3)cc21 ZINC000433349127 844041806 /nfs/dbraw/zinc/04/18/06/844041806.db2.gz BNZOZZXWDZEVIS-NRFANRHFSA-N 1 3 382.552 3.939 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135362 835444395 /nfs/dbraw/zinc/44/43/95/835444395.db2.gz DHRPLABBJQDPNL-PZJWPPBQSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135362 835444403 /nfs/dbraw/zinc/44/44/03/835444403.db2.gz DHRPLABBJQDPNL-PZJWPPBQSA-N 1 3 386.923 3.910 20 0 GHADHO COCCOc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168774 835482997 /nfs/dbraw/zinc/48/29/97/835482997.db2.gz YQIFMHXEZULNEP-LJQANCHMSA-N 1 3 383.536 3.670 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(CC3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000159061397 835713180 /nfs/dbraw/zinc/71/31/80/835713180.db2.gz PYRUOUQZSKFKGE-NRFANRHFSA-N 1 3 377.617 3.715 20 0 GHADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000179718879 835746494 /nfs/dbraw/zinc/74/64/94/835746494.db2.gz VOUYPAOZBZRBSP-QGZVFWFLSA-N 1 3 379.504 3.745 20 0 GHADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000179718879 835746504 /nfs/dbraw/zinc/74/65/04/835746504.db2.gz VOUYPAOZBZRBSP-QGZVFWFLSA-N 1 3 379.504 3.745 20 0 GHADHO COc1cccc([C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)N2CCCC2)c1 ZINC000431651448 836139956 /nfs/dbraw/zinc/13/99/56/836139956.db2.gz JUTNVQPCDJUSFA-DHIUTWEWSA-N 1 3 395.547 3.641 20 0 GHADHO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cn2)n1 ZINC000548483931 844148657 /nfs/dbraw/zinc/14/86/57/844148657.db2.gz FGMSTGSAGCIAGC-NFBKMPQASA-N 1 3 389.547 3.884 20 0 GHADHO CC(C)(C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)CN1CCCC1 ZINC000276966623 844182138 /nfs/dbraw/zinc/18/21/38/844182138.db2.gz XIJTZSOEWCLCMO-UHFFFAOYSA-N 1 3 377.960 3.656 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000414294963 836948218 /nfs/dbraw/zinc/94/82/18/836948218.db2.gz CQTGWIVIISGPTP-FQEVSTJZSA-N 1 3 390.531 3.550 20 0 GHADHO CCC[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000186055801 837032120 /nfs/dbraw/zinc/03/21/20/837032120.db2.gz LOJBDDDIDULRFW-JOCHJYFZSA-N 1 3 380.536 3.538 20 0 GHADHO O=C1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)[C@H](c2ccccc2)N1 ZINC000414322484 837115797 /nfs/dbraw/zinc/11/57/97/837115797.db2.gz SSJSYSDSHMFBLJ-GAQRMDFMSA-N 1 3 389.543 3.507 20 0 GHADHO O=C1CC[C@@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@H](c2ccccc2)N1 ZINC000414322484 837115802 /nfs/dbraw/zinc/11/58/02/837115802.db2.gz SSJSYSDSHMFBLJ-GAQRMDFMSA-N 1 3 389.543 3.507 20 0 GHADHO O=C1CC[C@@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@H](c2ccccc2)N1 ZINC000414322484 837115805 /nfs/dbraw/zinc/11/58/05/837115805.db2.gz SSJSYSDSHMFBLJ-GAQRMDFMSA-N 1 3 389.543 3.507 20 0 GHADHO Cc1cc(OCCC[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1Cl ZINC000510951836 844238421 /nfs/dbraw/zinc/23/84/21/844238421.db2.gz PYPOQUDBBZJRSO-GOSISDBHSA-N 1 3 381.992 3.812 20 0 GHADHO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001167283656 837312108 /nfs/dbraw/zinc/31/21/08/837312108.db2.gz KEMCFSANMRKCLI-XMMPIXPASA-N 1 3 399.623 3.815 20 0 GHADHO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001167283656 837312119 /nfs/dbraw/zinc/31/21/19/837312119.db2.gz KEMCFSANMRKCLI-XMMPIXPASA-N 1 3 399.623 3.815 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000565242569 837836078 /nfs/dbraw/zinc/83/60/78/837836078.db2.gz PDCWDANAPWOVFN-QZTJIDSGSA-N 1 3 393.325 3.663 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000659245992 838001193 /nfs/dbraw/zinc/00/11/93/838001193.db2.gz FFPPQCKBWPYFBF-ZPMCFJSWSA-N 1 3 377.532 3.631 20 0 GHADHO CN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000659248307 838005756 /nfs/dbraw/zinc/00/57/56/838005756.db2.gz VYBYPPVHFXXVCP-XZOQPEGZSA-N 1 3 391.559 3.802 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000415935686 838289180 /nfs/dbraw/zinc/28/91/80/838289180.db2.gz VCTKHWZUTPSCQF-LJQANCHMSA-N 1 3 380.536 3.782 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000415957566 838310476 /nfs/dbraw/zinc/31/04/76/838310476.db2.gz PTPPADVYLKYZCZ-IBGZPJMESA-N 1 3 380.536 3.924 20 0 GHADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)CNC2 ZINC000659356547 838311155 /nfs/dbraw/zinc/31/11/55/838311155.db2.gz HCIGDVIAUIGKNC-UHFFFAOYSA-N 1 3 385.939 3.927 20 0 GHADHO CN(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000415962290 838319576 /nfs/dbraw/zinc/31/95/76/838319576.db2.gz SRCNXTDNFXGIOD-IBGZPJMESA-N 1 3 396.510 3.600 20 0 GHADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000415999803 838377633 /nfs/dbraw/zinc/37/76/33/838377633.db2.gz VZZPJIUDRLFBHE-JTSKRJEESA-N 1 3 378.520 3.807 20 0 GHADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000415999803 838377642 /nfs/dbraw/zinc/37/76/42/838377642.db2.gz VZZPJIUDRLFBHE-JTSKRJEESA-N 1 3 378.520 3.807 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)N2CCCC2)cc1 ZINC000659444461 838396349 /nfs/dbraw/zinc/39/63/49/838396349.db2.gz AUJSSXCQYKMGNI-GOTSBHOMSA-N 1 3 398.595 3.553 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1CN1CCCCC1 ZINC000182281466 839025568 /nfs/dbraw/zinc/02/55/68/839025568.db2.gz INYLZUIRUUTPCR-QGZVFWFLSA-N 1 3 384.568 3.925 20 0 GHADHO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000471548193 839160145 /nfs/dbraw/zinc/16/01/45/839160145.db2.gz QIPZTBLJVFEGMH-AJSBUHFISA-N 1 3 379.548 3.706 20 0 GHADHO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000471548193 839160150 /nfs/dbraw/zinc/16/01/50/839160150.db2.gz QIPZTBLJVFEGMH-AJSBUHFISA-N 1 3 379.548 3.706 20 0 GHADHO CCCOc1c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cccc1OCC ZINC000415100810 839206087 /nfs/dbraw/zinc/20/60/87/839206087.db2.gz AMQSTMLIJRSGGW-CTNGQTDRSA-N 1 3 376.541 3.592 20 0 GHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC000513088411 844414572 /nfs/dbraw/zinc/41/45/72/844414572.db2.gz HRKWOLDAXINGCY-HXUWFJFHSA-N 1 3 397.567 3.715 20 0 GHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC000513088411 844414576 /nfs/dbraw/zinc/41/45/76/844414576.db2.gz HRKWOLDAXINGCY-HXUWFJFHSA-N 1 3 397.567 3.715 20 0 GHADHO [NH3+]C1(CNCc2ccccc2OCC2CC2)CCN(Cc2ccccc2)CC1 ZINC000415123205 839244398 /nfs/dbraw/zinc/24/43/98/839244398.db2.gz AJRPBKMIDKGORE-UHFFFAOYSA-N 1 3 379.548 3.559 20 0 GHADHO COCC[C@@H](NC1CC[NH+](CCOC)CC1)c1ccc(Cl)c(Cl)c1 ZINC000580473407 839620758 /nfs/dbraw/zinc/62/07/58/839620758.db2.gz LXUKQALSMNVHAB-GOSISDBHSA-N 1 3 375.340 3.771 20 0 GHADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799135 844552398 /nfs/dbraw/zinc/55/23/98/844552398.db2.gz UATMBIMWUDSWRS-CXAGYDPISA-N 1 3 384.305 3.816 20 0 GHADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799135 844552404 /nfs/dbraw/zinc/55/24/04/844552404.db2.gz UATMBIMWUDSWRS-CXAGYDPISA-N 1 3 384.305 3.816 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000581083142 840677879 /nfs/dbraw/zinc/67/78/79/840677879.db2.gz WKJIGPMRXAUQMX-JOCHJYFZSA-N 1 3 383.580 3.589 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000044277109 841271138 /nfs/dbraw/zinc/27/11/38/841271138.db2.gz RFPGUKZNTVETMH-UHFFFAOYSA-N 1 3 380.536 3.796 20 0 GHADHO C[NH+](C)CCCC(C)(C)NCc1ccc(F)cc1I ZINC000418077449 841474530 /nfs/dbraw/zinc/47/45/30/841474530.db2.gz SZOLDBUKTLGRCP-UHFFFAOYSA-N 1 3 378.273 3.640 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000418175958 841615711 /nfs/dbraw/zinc/61/57/11/841615711.db2.gz GKHQALAIJBXZNF-XNMUZJSGSA-N 1 3 392.975 3.647 20 0 GHADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000651817711 841649665 /nfs/dbraw/zinc/64/96/65/841649665.db2.gz XVZLORFROVVNPP-FGZHOGPDSA-N 1 3 388.596 3.956 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(CO)CCc3ccccc32)CC1 ZINC000651883622 841789633 /nfs/dbraw/zinc/78/96/33/841789633.db2.gz LBOBBSRSBRAYES-NBGIEHNGSA-N 1 3 378.560 3.548 20 0 GHADHO CC(C)C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000652148140 841995624 /nfs/dbraw/zinc/99/56/24/841995624.db2.gz PAOUKGDASVGASI-JOCHJYFZSA-N 1 3 385.527 3.994 20 0 GHADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC000432403783 842381978 /nfs/dbraw/zinc/38/19/78/842381978.db2.gz BYNYEYXRPHZPKP-HUUCEWRRSA-N 1 3 385.346 3.609 20 0 GHADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1Br ZINC000432403783 842381993 /nfs/dbraw/zinc/38/19/93/842381993.db2.gz BYNYEYXRPHZPKP-HUUCEWRRSA-N 1 3 385.346 3.609 20 0 GHADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413107 842414287 /nfs/dbraw/zinc/41/42/87/842414287.db2.gz KGBURROUGMXPJM-DNVCBOLYSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413107 842414294 /nfs/dbraw/zinc/41/42/94/842414294.db2.gz KGBURROUGMXPJM-DNVCBOLYSA-N 1 3 381.358 3.917 20 0 GHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423197 842451565 /nfs/dbraw/zinc/45/15/65/842451565.db2.gz WXJAOHADNHDIKB-RTBURBONSA-N 1 3 390.572 3.712 20 0 GHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423197 842451572 /nfs/dbraw/zinc/45/15/72/842451572.db2.gz WXJAOHADNHDIKB-RTBURBONSA-N 1 3 390.572 3.712 20 0 GHADHO CCCOc1cc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000512188304 842842570 /nfs/dbraw/zinc/84/25/70/842842570.db2.gz YCYSOOIQAKSBEG-OALUTQOASA-N 1 3 390.568 3.805 20 0 GHADHO Cc1sc([C@@H](C)NC[C@@H]2CCC3(C[NH2+]C3)O2)nc1-c1ccc(Cl)cc1 ZINC000662281160 843059438 /nfs/dbraw/zinc/05/94/38/843059438.db2.gz IYSVVLIGHWBTBH-WBMJQRKESA-N 1 3 377.941 3.944 20 0 GHADHO [NH3+]CCCn1ccc2cc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)ccc21 ZINC000430846198 843067918 /nfs/dbraw/zinc/06/79/18/843067918.db2.gz GICAZKNXXUISPD-HSZRJFAPSA-N 1 3 390.531 3.557 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3oc4ccccc4c3Br)C2)C1 ZINC000662286898 843075517 /nfs/dbraw/zinc/07/55/17/843075517.db2.gz SZFLIKRALKGZKO-JJRVBVJISA-N 1 3 393.325 3.914 20 0 GHADHO CC(C)c1cccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000663314576 843100658 /nfs/dbraw/zinc/10/06/58/843100658.db2.gz ANUCJFCAYMEVEY-HSZRJFAPSA-N 1 3 379.548 3.797 20 0 GHADHO CC(C)c1cccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000663314576 843100667 /nfs/dbraw/zinc/10/06/67/843100667.db2.gz ANUCJFCAYMEVEY-HSZRJFAPSA-N 1 3 379.548 3.797 20 0 GHADHO CCN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCN(C)C1 ZINC000663768648 843130678 /nfs/dbraw/zinc/13/06/78/843130678.db2.gz NQYCIJPVMRBYRG-QFIPXVFZSA-N 1 3 386.584 3.687 20 0 GHADHO CCN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCN(C)C1 ZINC000663768648 843130684 /nfs/dbraw/zinc/13/06/84/843130684.db2.gz NQYCIJPVMRBYRG-QFIPXVFZSA-N 1 3 386.584 3.687 20 0 GHADHO C[C@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)CC[N@@H+]1Cc1ccccc1 ZINC000662467453 843295392 /nfs/dbraw/zinc/29/53/92/843295392.db2.gz BBQRUFKTQWRYRI-QFBILLFUSA-N 1 3 383.561 3.519 20 0 GHADHO C[C@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)CC[N@H+]1Cc1ccccc1 ZINC000662467453 843295396 /nfs/dbraw/zinc/29/53/96/843295396.db2.gz BBQRUFKTQWRYRI-QFBILLFUSA-N 1 3 383.561 3.519 20 0 GHADHO CC1CCN([C@H](CNC(=O)c2cccc3c2CC[NH2+]C3)c2cccs2)CC1 ZINC000662663573 843505723 /nfs/dbraw/zinc/50/57/23/843505723.db2.gz NYYSCDUBIJJYRH-HXUWFJFHSA-N 1 3 383.561 3.597 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468238 843672902 /nfs/dbraw/zinc/67/29/02/843672902.db2.gz KSDSSVGYRYYNHF-XLIONFOSSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468238 843672916 /nfs/dbraw/zinc/67/29/16/843672916.db2.gz KSDSSVGYRYYNHF-XLIONFOSSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468238 843672921 /nfs/dbraw/zinc/67/29/21/843672921.db2.gz KSDSSVGYRYYNHF-XLIONFOSSA-N 1 3 391.987 3.789 20 0 GHADHO CC[C@@H]1CN(Cc2cc(C[N@@H+]3CCCO[C@H](CC)C3)cc(OC)c2)CCCO1 ZINC000433210719 843860130 /nfs/dbraw/zinc/86/01/30/843860130.db2.gz XJZSUYAGYHHNSN-FGZHOGPDSA-N 1 3 390.568 3.697 20 0 GHADHO CC[C@@H]1CN(Cc2cc(C[N@H+]3CCCO[C@H](CC)C3)cc(OC)c2)CCCO1 ZINC000433210719 843860138 /nfs/dbraw/zinc/86/01/38/843860138.db2.gz XJZSUYAGYHHNSN-FGZHOGPDSA-N 1 3 390.568 3.697 20 0 GHADHO Cc1noc(C[C@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc2)n1 ZINC000277126143 844709696 /nfs/dbraw/zinc/70/96/96/844709696.db2.gz NZXWBSUSVFRXBU-VGSWGCGISA-N 1 3 394.519 3.953 20 0 GHADHO CCO[C@@H]1CCCN(Cc2cc(C[N@@H+]3CCC[C@@H](OCC)C3)cc(OC)c2)C1 ZINC000644994465 844839258 /nfs/dbraw/zinc/83/92/58/844839258.db2.gz XSQNREJYRJUMEO-FGZHOGPDSA-N 1 3 390.568 3.697 20 0 GHADHO CCO[C@@H]1CCCN(Cc2cc(C[N@H+]3CCC[C@@H](OCC)C3)cc(OC)c2)C1 ZINC000644994465 844839266 /nfs/dbraw/zinc/83/92/66/844839266.db2.gz XSQNREJYRJUMEO-FGZHOGPDSA-N 1 3 390.568 3.697 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000512646857 844875185 /nfs/dbraw/zinc/87/51/85/844875185.db2.gz DQMNMHZBIPTTAV-BMXMUORJSA-N 1 3 383.580 3.524 20 0 GHADHO C[NH+]1CCC(O)(CN[C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000512668490 844976450 /nfs/dbraw/zinc/97/64/50/844976450.db2.gz VGCVVZKXERVYIQ-IBGZPJMESA-N 1 3 396.428 3.980 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000513390355 845341067 /nfs/dbraw/zinc/34/10/67/845341067.db2.gz OPSIDCJNRXFRES-BWAGFHJFSA-N 1 3 388.600 3.612 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000513390355 845341081 /nfs/dbraw/zinc/34/10/81/845341081.db2.gz OPSIDCJNRXFRES-BWAGFHJFSA-N 1 3 388.600 3.612 20 0 GHADHO CC(C)[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000411453055 845478239 /nfs/dbraw/zinc/47/82/39/845478239.db2.gz JNSHMLPGJPYSLZ-HXUWFJFHSA-N 1 3 399.501 3.981 20 0 GHADHO CSc1ccccc1NC(=O)CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518827 845542943 /nfs/dbraw/zinc/54/29/43/845542943.db2.gz QKSVRFDCYCQZQP-DLBZAZTESA-N 1 3 375.582 3.980 20 0 GHADHO CSc1ccccc1NC(=O)CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518827 845542953 /nfs/dbraw/zinc/54/29/53/845542953.db2.gz QKSVRFDCYCQZQP-DLBZAZTESA-N 1 3 375.582 3.980 20 0 GHADHO CC[N@@H+]1CCC[C@@H](CN(C)Cc2c[nH]nc2-c2cccs2)[C@@H]1c1cnn(C)c1 ZINC000434004606 845701082 /nfs/dbraw/zinc/70/10/82/845701082.db2.gz YIEZUPQCWLOUFW-HRAATJIYSA-N 1 3 398.580 3.777 20 0 GHADHO CC[N@H+]1CCC[C@@H](CN(C)Cc2c[nH]nc2-c2cccs2)[C@@H]1c1cnn(C)c1 ZINC000434004606 845701089 /nfs/dbraw/zinc/70/10/89/845701089.db2.gz YIEZUPQCWLOUFW-HRAATJIYSA-N 1 3 398.580 3.777 20 0 GHADHO COCCOCc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000582094293 846303741 /nfs/dbraw/zinc/30/37/41/846303741.db2.gz DRWMRCCIJVXZDM-LOSJGSFVSA-N 1 3 394.559 3.804 20 0 GHADHO COCCOCc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000582094293 846303747 /nfs/dbraw/zinc/30/37/47/846303747.db2.gz DRWMRCCIJVXZDM-LOSJGSFVSA-N 1 3 394.559 3.804 20 0 GHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000501063984 846594167 /nfs/dbraw/zinc/59/41/67/846594167.db2.gz SMCTZCHXXSBFNY-NRFANRHFSA-N 1 3 398.938 3.689 20 0 GHADHO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064419 846596102 /nfs/dbraw/zinc/59/61/02/846596102.db2.gz WTBBWTJPITXROS-RTBURBONSA-N 1 3 392.547 3.596 20 0 GHADHO C[C@@H]1C[C@@H](N2CC[C@]3(CCN3c3ncccn3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168044560 861713802 /nfs/dbraw/zinc/71/38/02/861713802.db2.gz FNUJQAOHKGTRHH-MNHFLQJXSA-N 1 3 391.563 3.573 20 0 GHADHO C[C@@H]1C[C@@H](N2CC[C@]3(CCN3c3ncccn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044560 861713813 /nfs/dbraw/zinc/71/38/13/861713813.db2.gz FNUJQAOHKGTRHH-MNHFLQJXSA-N 1 3 391.563 3.573 20 0 GHADHO Brc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422703669 847775233 /nfs/dbraw/zinc/77/52/33/847775233.db2.gz IHOCCLLIZTYLFN-CWLKWCNXSA-N 1 3 378.358 3.538 20 0 GHADHO FC(F)(F)Oc1cccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422734476 847789316 /nfs/dbraw/zinc/78/93/16/847789316.db2.gz SKNFKZBKGKPIDM-JEDBISTDSA-N 1 3 383.458 3.674 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422734764 847789359 /nfs/dbraw/zinc/78/93/59/847789359.db2.gz TZGTWMZCCSKKFY-BEFAXECRSA-N 1 3 392.469 3.793 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)N1CCCCC1 ZINC000422719515 847794882 /nfs/dbraw/zinc/79/48/82/847794882.db2.gz YJIIQJHXIQCMIO-PMOQBDJRSA-N 1 3 381.564 3.770 20 0 GHADHO COc1ccccc1[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCCCC1 ZINC000422719515 847794889 /nfs/dbraw/zinc/79/48/89/847794889.db2.gz YJIIQJHXIQCMIO-PMOQBDJRSA-N 1 3 381.564 3.770 20 0 GHADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422796270 847825804 /nfs/dbraw/zinc/82/58/04/847825804.db2.gz YABVNJQLRPLIDU-SSKFGXFMSA-N 1 3 394.494 3.520 20 0 GHADHO CCOCCOCc1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422870385 847874596 /nfs/dbraw/zinc/87/45/96/847874596.db2.gz YRHRRHGSXNHTCL-LADGPHEKSA-N 1 3 396.531 3.585 20 0 GHADHO c1coc([C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCCC2)c1 ZINC000422966133 847905923 /nfs/dbraw/zinc/90/59/23/847905923.db2.gz QSBLWFKULRYMBY-JTAQYXEDSA-N 1 3 381.520 3.652 20 0 GHADHO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CCCC[C@@H]3CN)cc2)cc1 ZINC000422943908 847907079 /nfs/dbraw/zinc/90/70/79/847907079.db2.gz ZBPOMKVNRLAXSZ-OFNKIYASSA-N 1 3 395.547 3.662 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423087676 847973841 /nfs/dbraw/zinc/97/38/41/847973841.db2.gz OPKURLUUQYACSB-PBHICJAKSA-N 1 3 389.341 3.541 20 0 GHADHO Brc1csc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657611668 848325882 /nfs/dbraw/zinc/32/58/82/848325882.db2.gz BUKBGLSQCSVDSM-UHFFFAOYSA-N 1 3 380.355 3.907 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000604202522 861941962 /nfs/dbraw/zinc/94/19/62/861941962.db2.gz NWJIBEXONIIMNM-XZOQPEGZSA-N 1 3 398.595 3.874 20 0 GHADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000599986031 861982874 /nfs/dbraw/zinc/98/28/74/861982874.db2.gz FRRDHIAJJBNHHH-FQEVSTJZSA-N 1 3 385.596 3.661 20 0 GHADHO CCN1CCO[C@@H](CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000423100787 849743600 /nfs/dbraw/zinc/74/36/00/849743600.db2.gz HMTGSTUIGCIHIM-LWSSLDFYSA-N 1 3 379.548 3.531 20 0 GHADHO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423111890 849758716 /nfs/dbraw/zinc/75/87/16/849758716.db2.gz RFGUKCMIGIDVJH-MHYDHLEJSA-N 1 3 392.385 3.907 20 0 GHADHO [NH3+]C1(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)CCN(Cc2ccccc2)CC1 ZINC000423533481 849960136 /nfs/dbraw/zinc/96/01/36/849960136.db2.gz XNUATTPMLQNUKW-GOSISDBHSA-N 1 3 389.465 3.674 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(n3ccc(C)n3)CC2)CC1 ZINC000435041072 850005637 /nfs/dbraw/zinc/00/56/37/850005637.db2.gz OORIYCCEYALDMZ-UHFFFAOYSA-N 1 3 381.568 3.561 20 0 GHADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000514602880 850046597 /nfs/dbraw/zinc/04/65/97/850046597.db2.gz GWGGZUBTSHWNEQ-KDURUIRLSA-N 1 3 382.552 3.745 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000518978811 850447527 /nfs/dbraw/zinc/44/75/27/850447527.db2.gz DPHNKUAEXMMQKF-IRLDBZIGSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000162945472 862221985 /nfs/dbraw/zinc/22/19/85/862221985.db2.gz PXUKUHLGCMVSRE-OXJNMPFZSA-N 1 3 396.453 3.728 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436313720 851447370 /nfs/dbraw/zinc/44/73/70/851447370.db2.gz LYYCXSCOURBTTN-IRXDYDNUSA-N 1 3 376.850 3.826 20 0 GHADHO CCN(CCc1ccccc1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488514076 851578958 /nfs/dbraw/zinc/57/89/58/851578958.db2.gz MRNVQKPKDGJCFL-OAQYLSRUSA-N 1 3 393.575 3.720 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC(C)(C)c4ccccc43)CC2)CC1 ZINC000102009653 852087392 /nfs/dbraw/zinc/08/73/92/852087392.db2.gz UZKMDGCUANGUAL-JOCHJYFZSA-N 1 3 398.595 3.657 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000112204458 852088908 /nfs/dbraw/zinc/08/89/08/852088908.db2.gz BMXHRIOMPVBDLJ-UHFFFAOYSA-N 1 3 390.597 3.621 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517640242 852197884 /nfs/dbraw/zinc/19/78/84/852197884.db2.gz XXKZPTAAFPRSTA-ACIOBRDBSA-N 1 3 382.548 3.686 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517640242 852197887 /nfs/dbraw/zinc/19/78/87/852197887.db2.gz XXKZPTAAFPRSTA-ACIOBRDBSA-N 1 3 382.548 3.686 20 0 GHADHO C[C@@H](Nc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516268741 852365939 /nfs/dbraw/zinc/36/59/39/852365939.db2.gz QZTNJPWUUCPVKE-ZJSXRUAMSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@@H](Nc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268741 852365944 /nfs/dbraw/zinc/36/59/44/852365944.db2.gz QZTNJPWUUCPVKE-ZJSXRUAMSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490765441 853242814 /nfs/dbraw/zinc/24/28/14/853242814.db2.gz BBEZJPFKCKRGBJ-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490765441 853242821 /nfs/dbraw/zinc/24/28/21/853242821.db2.gz BBEZJPFKCKRGBJ-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000490965911 853375604 /nfs/dbraw/zinc/37/56/04/853375604.db2.gz OAFWYGIRBFGDFW-NFBKMPQASA-N 1 3 379.548 3.937 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000490965911 853375607 /nfs/dbraw/zinc/37/56/07/853375607.db2.gz OAFWYGIRBFGDFW-NFBKMPQASA-N 1 3 379.548 3.937 20 0 GHADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000491015989 853417394 /nfs/dbraw/zinc/41/73/94/853417394.db2.gz BDDOZWQHTKGCOC-DVECYGJZSA-N 1 3 382.548 3.975 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@H](C(C)(C)C)CC3)CC2)CC1 ZINC000188177129 853819137 /nfs/dbraw/zinc/81/91/37/853819137.db2.gz JVVXELXDTPNDNU-RBUKOAKNSA-N 1 3 392.632 3.839 20 0 GHADHO Cc1ccc(COc2ccc(C[NH2+]CCN3CCN(C)C(C)(C)C3)cc2)cc1 ZINC000441353133 854172502 /nfs/dbraw/zinc/17/25/02/854172502.db2.gz GJYBZBGXLPOZCL-UHFFFAOYSA-N 1 3 381.564 3.690 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)CCCc3ccccc3)CC2)CC1 ZINC000112632642 854279181 /nfs/dbraw/zinc/27/91/81/854279181.db2.gz DAUDWHUOMFOTSA-UHFFFAOYSA-N 1 3 385.596 3.710 20 0 GHADHO COC1CCN(C2(C[NH2+][C@@H]3CCN(C)[C@@H](c4ccccc4)C3)CCCC2)CC1 ZINC000572467964 854537281 /nfs/dbraw/zinc/53/72/81/854537281.db2.gz PZOCXBAHRWBKSH-FYYLOGMGSA-N 1 3 385.596 3.835 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000068582557 854601163 /nfs/dbraw/zinc/60/11/63/854601163.db2.gz IYTSQLPNKQXDQH-IBGZPJMESA-N 1 3 392.563 3.554 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000068582557 854601167 /nfs/dbraw/zinc/60/11/67/854601167.db2.gz IYTSQLPNKQXDQH-IBGZPJMESA-N 1 3 392.563 3.554 20 0 GHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000482021225 862615460 /nfs/dbraw/zinc/61/54/60/862615460.db2.gz LFCUNUMVRZBCKA-QFIPXVFZSA-N 1 3 383.536 3.690 20 0 GHADHO COc1ccccc1-c1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000666048646 855116168 /nfs/dbraw/zinc/11/61/68/855116168.db2.gz ZAAIVOMVHNATPO-SFHVURJKSA-N 1 3 398.551 3.756 20 0 GHADHO COc1ccccc1-c1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000666048646 855116171 /nfs/dbraw/zinc/11/61/71/855116171.db2.gz ZAAIVOMVHNATPO-SFHVURJKSA-N 1 3 398.551 3.756 20 0 GHADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000590151380 855299713 /nfs/dbraw/zinc/29/97/13/855299713.db2.gz ZXOCRDJMORFUFX-LJQANCHMSA-N 1 3 392.613 3.647 20 0 GHADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000590151380 855299721 /nfs/dbraw/zinc/29/97/21/855299721.db2.gz ZXOCRDJMORFUFX-LJQANCHMSA-N 1 3 392.613 3.647 20 0 GHADHO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000590778130 855579310 /nfs/dbraw/zinc/57/93/10/855579310.db2.gz GALUTXXWANSDEA-GIRPNKPCSA-N 1 3 382.573 3.957 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000180974520 862696152 /nfs/dbraw/zinc/69/61/52/862696152.db2.gz ALVQICNQYBAHNM-NRFANRHFSA-N 1 3 395.572 3.839 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000180975060 862697019 /nfs/dbraw/zinc/69/70/19/862697019.db2.gz MHANHLWKELERES-QFIPXVFZSA-N 1 3 397.950 3.943 20 0 GHADHO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)s1 ZINC000180976443 862698711 /nfs/dbraw/zinc/69/87/11/862698711.db2.gz VYWFSYZNRNUUBH-QGZVFWFLSA-N 1 3 385.577 3.987 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000485219426 856230756 /nfs/dbraw/zinc/23/07/56/856230756.db2.gz ONQRHWVYXHBJAH-ZJZGAYNASA-N 1 3 390.575 3.941 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000573861063 856576448 /nfs/dbraw/zinc/57/64/48/856576448.db2.gz RDWKNMYJTBCDIL-UHFFFAOYSA-N 1 3 399.623 3.839 20 0 GHADHO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000181279295 862820531 /nfs/dbraw/zinc/82/05/31/862820531.db2.gz OQCUGJMQKKCJKB-GOSISDBHSA-N 1 3 389.584 3.895 20 0 GHADHO COc1ccc(CC[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1O ZINC000668511412 856734852 /nfs/dbraw/zinc/73/48/52/856734852.db2.gz FREXIKWQKZCCCI-SFHVURJKSA-N 1 3 383.536 3.619 20 0 GHADHO COc1cc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1SC(F)F ZINC000282192038 857210991 /nfs/dbraw/zinc/21/09/91/857210991.db2.gz GHYJHVILMNLWHH-AWEZNQCLSA-N 1 3 387.540 3.687 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000187009501 862908128 /nfs/dbraw/zinc/90/81/28/862908128.db2.gz RQVOOWSFPSEKTK-WIYYLYMNSA-N 1 3 386.536 3.636 20 0 GHADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000671740288 857751538 /nfs/dbraw/zinc/75/15/38/857751538.db2.gz GXQGVYDIYWXNKI-KUVYTWDVSA-N 1 3 390.575 3.923 20 0 GHADHO CN(C(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000676350590 857840873 /nfs/dbraw/zinc/84/08/73/857840873.db2.gz BJAYSTNQWNFNLP-BRTIRZTQSA-N 1 3 377.532 3.825 20 0 GHADHO CN(C(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000676350590 857840877 /nfs/dbraw/zinc/84/08/77/857840877.db2.gz BJAYSTNQWNFNLP-BRTIRZTQSA-N 1 3 377.532 3.825 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000574750237 858157157 /nfs/dbraw/zinc/15/71/57/858157157.db2.gz LJCFIOJONDILOE-OFNKIYASSA-N 1 3 382.548 3.858 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000442878312 858198894 /nfs/dbraw/zinc/19/88/94/858198894.db2.gz SRNKEPZITGGXDA-MRXNPFEDSA-N 1 3 386.367 3.823 20 0 GHADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 ZINC000171038168 863004306 /nfs/dbraw/zinc/00/43/06/863004306.db2.gz DNRGDRZDAKMDIW-LJQANCHMSA-N 1 3 380.602 3.647 20 0 GHADHO C[C@@H](Cc1ccccc1)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574797009 858320824 /nfs/dbraw/zinc/32/08/24/858320824.db2.gz PSVAJEHBNMCZGZ-WIOPSUGQSA-N 1 3 377.576 3.757 20 0 GHADHO C[C@@H](Cc1ccccc1)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574797009 858320828 /nfs/dbraw/zinc/32/08/28/858320828.db2.gz PSVAJEHBNMCZGZ-WIOPSUGQSA-N 1 3 377.576 3.757 20 0 GHADHO O=C(CN(CC1CCCCC1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522084040 858607238 /nfs/dbraw/zinc/60/72/38/858607238.db2.gz LZZAYEVNZMMLDW-UHFFFAOYSA-N 1 3 383.580 3.943 20 0 GHADHO CC1CC[NH+](C[C@H]2CCCN(CCCN3CCN(c4ccccc4)CC3)C2)CC1 ZINC000509297379 858980758 /nfs/dbraw/zinc/98/07/58/858980758.db2.gz ZDFVUJDWIPBLBC-DEOSSOPVSA-N 1 3 398.639 3.643 20 0 GHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000474149318 859298311 /nfs/dbraw/zinc/29/83/11/859298311.db2.gz HFCNFCRBIPOYMY-UHFFFAOYSA-N 1 3 375.948 3.865 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000474149318 859298328 /nfs/dbraw/zinc/29/83/28/859298328.db2.gz HFCNFCRBIPOYMY-UHFFFAOYSA-N 1 3 375.948 3.865 20 0 GHADHO Cc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000657535967 859318748 /nfs/dbraw/zinc/31/87/48/859318748.db2.gz VETIITFYJOPIGG-UHFFFAOYSA-N 1 3 381.358 3.738 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc(OC4CCCC4)c3)cc2)C1 ZINC000657593634 859452863 /nfs/dbraw/zinc/45/28/63/859452863.db2.gz AWGODPMFIOQQTD-JOCHJYFZSA-N 1 3 380.532 3.864 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(OC4CCCC4)c3)cc2)C1 ZINC000657593634 859452870 /nfs/dbraw/zinc/45/28/70/859452870.db2.gz AWGODPMFIOQQTD-JOCHJYFZSA-N 1 3 380.532 3.864 20 0 GHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)CC[NH2+]C(C)(C)C ZINC001129287706 859473157 /nfs/dbraw/zinc/47/31/57/859473157.db2.gz KRKXTBFIUDDDSU-QFIPXVFZSA-N 1 3 387.612 3.956 20 0 GHADHO F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@@H]1CN(Cc3ccccc3)CC13CCC3)OCCO2 ZINC000895448233 859490558 /nfs/dbraw/zinc/49/05/58/859490558.db2.gz ABHUFJIPBPFRCV-NJYVYQBISA-N 1 3 388.527 3.512 20 0 GHADHO CC[C@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC000729545070 859732341 /nfs/dbraw/zinc/73/23/41/859732341.db2.gz RMUUQVULRHULFQ-OALUTQOASA-N 1 3 386.584 3.666 20 0 GHADHO CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC000729545070 859732345 /nfs/dbraw/zinc/73/23/45/859732345.db2.gz RMUUQVULRHULFQ-OALUTQOASA-N 1 3 386.584 3.666 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCNc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000484130800 859840183 /nfs/dbraw/zinc/84/01/83/859840183.db2.gz PPZJACSLKHHSAF-WMLDXEAASA-N 1 3 389.371 3.527 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCNc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000484130800 859840187 /nfs/dbraw/zinc/84/01/87/859840187.db2.gz PPZJACSLKHHSAF-WMLDXEAASA-N 1 3 389.371 3.527 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000568605546 860234064 /nfs/dbraw/zinc/23/40/64/860234064.db2.gz QVHHEXAALQRIJG-PZJWPPBQSA-N 1 3 388.943 3.552 20 0 GHADHO Cc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2cnn(C)c2)c1 ZINC000904470958 860463553 /nfs/dbraw/zinc/46/35/53/860463553.db2.gz DKKHNJTYIHSJOR-VWNXMTODSA-N 1 3 388.515 3.741 20 0 GHADHO Cc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2ccnn2C)c1 ZINC000904471575 860464695 /nfs/dbraw/zinc/46/46/95/860464695.db2.gz JDZBEGDUTFMWIA-ZJSXRUAMSA-N 1 3 388.515 3.741 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000172130911 860603700 /nfs/dbraw/zinc/60/37/00/860603700.db2.gz FNNNFWSVODMSLS-UHFFFAOYSA-N 1 3 380.536 3.877 20 0 GHADHO Cn1c2ccc(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc2sc1=O ZINC000192517242 860870714 /nfs/dbraw/zinc/87/07/14/860870714.db2.gz AWHIXLANYHFSIZ-INIZCTEOSA-N 1 3 387.574 3.663 20 0 GHADHO Cn1c2ccc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc2sc1=O ZINC000192517242 860870717 /nfs/dbraw/zinc/87/07/17/860870717.db2.gz AWHIXLANYHFSIZ-INIZCTEOSA-N 1 3 387.574 3.663 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600068077 860886101 /nfs/dbraw/zinc/88/61/01/860886101.db2.gz MESQVWGQAJDQLZ-REWPJTCUSA-N 1 3 385.596 3.566 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600068077 860886113 /nfs/dbraw/zinc/88/61/13/860886113.db2.gz MESQVWGQAJDQLZ-REWPJTCUSA-N 1 3 385.596 3.566 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000481321417 861038327 /nfs/dbraw/zinc/03/83/27/861038327.db2.gz OTZMXNNJMITKFD-PXDATVDWSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000481321417 861038337 /nfs/dbraw/zinc/03/83/37/861038337.db2.gz OTZMXNNJMITKFD-PXDATVDWSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)C[C@H](C)O1 ZINC000172064187 863146826 /nfs/dbraw/zinc/14/68/26/863146826.db2.gz FVTGXMHQEZLAPY-CALCHBBNSA-N 1 3 390.959 3.720 20 0 GHADHO CCN(C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159069719 864023224 /nfs/dbraw/zinc/02/32/24/864023224.db2.gz CKSMFEDLJBXCDB-QHCPKHFHSA-N 1 3 394.563 3.554 20 0 GHADHO COc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1OCc1ccccc1 ZINC000537630703 881729805 /nfs/dbraw/zinc/72/98/05/881729805.db2.gz YXZLOHHQRHGDHD-UHFFFAOYSA-N 1 3 398.547 3.817 20 0 GHADHO CCN1CCN(c2cccc(NC3CC[NH+](CCc4ccccc4)CC3)c2)CC1 ZINC000475112080 864229150 /nfs/dbraw/zinc/22/91/50/864229150.db2.gz RXLYMYWSSROSNK-UHFFFAOYSA-N 1 3 392.591 3.948 20 0 GHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](c2ccccc2)C1 ZINC000480208664 864269865 /nfs/dbraw/zinc/26/98/65/864269865.db2.gz XBVBFYZBLWYIIH-REWPJTCUSA-N 1 3 391.559 3.645 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)CC1 ZINC000734530986 864281749 /nfs/dbraw/zinc/28/17/49/864281749.db2.gz FIWZRPYMZYMWPT-UHFFFAOYSA-N 1 3 378.605 3.549 20 0 GHADHO Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)cn2)cc1 ZINC000475289027 864720730 /nfs/dbraw/zinc/72/07/30/864720730.db2.gz ABWSAQYECLXKAD-OAQYLSRUSA-N 1 3 378.495 3.682 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166240747 864726340 /nfs/dbraw/zinc/72/63/40/864726340.db2.gz BEFGOYFUNMGGTM-ZCYQVOJMSA-N 1 3 393.575 3.692 20 0 GHADHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000622344915 864944052 /nfs/dbraw/zinc/94/40/52/864944052.db2.gz KHSHHTKKNQMRBZ-XMMPIXPASA-N 1 3 397.607 3.951 20 0 GHADHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000622344915 864944062 /nfs/dbraw/zinc/94/40/62/864944062.db2.gz KHSHHTKKNQMRBZ-XMMPIXPASA-N 1 3 397.607 3.951 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4ccc(OC)cc43)cc2)CC1 ZINC000480725076 865172956 /nfs/dbraw/zinc/17/29/56/865172956.db2.gz XAKIYWPZZPYLBT-RUZDIDTESA-N 1 3 393.575 4.000 20 0 GHADHO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000480781533 865257958 /nfs/dbraw/zinc/25/79/58/865257958.db2.gz UUYLSCPPSWGGHP-NRFANRHFSA-N 1 3 393.575 3.881 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNCc2cn3ccc(Br)cc3n2)C1 ZINC000554969839 865270651 /nfs/dbraw/zinc/27/06/51/865270651.db2.gz YVRSIWFEBKJLHI-HNNXBMFYSA-N 1 3 379.346 3.699 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNCc2cn3ccc(Br)cc3n2)C1 ZINC000554969839 865270663 /nfs/dbraw/zinc/27/06/63/865270663.db2.gz YVRSIWFEBKJLHI-HNNXBMFYSA-N 1 3 379.346 3.699 20 0 GHADHO Cc1cc(NC[C@@H](C(C)C)N2CCN(C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301374756 865319793 /nfs/dbraw/zinc/31/97/93/865319793.db2.gz QYZBKSKOUZIAJH-FQEVSTJZSA-N 1 3 392.494 3.829 20 0 GHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)Nc2cnc3c(c2)CNCC3)c1 ZINC000667798588 865659604 /nfs/dbraw/zinc/65/96/04/865659604.db2.gz DCHXBGLDAUBUJG-UHFFFAOYSA-N 1 3 395.551 3.671 20 0 GHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Nc2cnc3c(c2)CNCC3)c1 ZINC000667798588 865659607 /nfs/dbraw/zinc/65/96/07/865659607.db2.gz DCHXBGLDAUBUJG-UHFFFAOYSA-N 1 3 395.551 3.671 20 0 GHADHO CCS[C@@H]1CCCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000481006641 865682052 /nfs/dbraw/zinc/68/20/52/865682052.db2.gz GJQBFYJWFGSQPY-OAQYLSRUSA-N 1 3 389.609 3.506 20 0 GHADHO CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCN(C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000533984866 865700688 /nfs/dbraw/zinc/70/06/88/865700688.db2.gz AKIFSAMSWDFTBQ-BWWMBTDCSA-N 1 3 398.595 3.774 20 0 GHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C(F)(F)F)cc1 ZINC000173429035 865807026 /nfs/dbraw/zinc/80/70/26/865807026.db2.gz PFPCRVYJYWYLPU-OAHLLOKOSA-N 1 3 393.453 3.848 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000121085957 881914081 /nfs/dbraw/zinc/91/40/81/881914081.db2.gz RYOPETLDBLBMEQ-IBGZPJMESA-N 1 3 390.535 3.745 20 0 GHADHO COCCOc1cccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000133078290 881915999 /nfs/dbraw/zinc/91/59/99/881915999.db2.gz ODGDUUOIKOBJFE-UHFFFAOYSA-N 1 3 397.563 3.532 20 0 GHADHO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000667840504 866028403 /nfs/dbraw/zinc/02/84/03/866028403.db2.gz AHTNMHSVDOTIGT-UHFFFAOYSA-N 1 3 388.556 3.533 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183103574 866212505 /nfs/dbraw/zinc/21/25/05/866212505.db2.gz ZPZUYMXNZITIAK-IEBWSBKVSA-N 1 3 379.589 3.876 20 0 GHADHO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H](c1ccccc1)N(C)C ZINC000478728160 866560344 /nfs/dbraw/zinc/56/03/44/866560344.db2.gz WDUSRXVAJIEORW-XXBNENTESA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000153696505 867030547 /nfs/dbraw/zinc/03/05/47/867030547.db2.gz IJVYXLUARGBHEN-OAQYLSRUSA-N 1 3 393.575 3.914 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC[N@@H+]1C ZINC000444715544 867126791 /nfs/dbraw/zinc/12/67/91/867126791.db2.gz DGGGVJRBFXJYSG-IFMALSPDSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC[N@H+]1C ZINC000444715544 867126803 /nfs/dbraw/zinc/12/68/03/867126803.db2.gz DGGGVJRBFXJYSG-IFMALSPDSA-N 1 3 398.595 3.699 20 0 GHADHO Cc1ccc([C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C2CCCCC2)cc1 ZINC000479259769 867448377 /nfs/dbraw/zinc/44/83/77/867448377.db2.gz QRYRLNNZRKVWFW-DEOSSOPVSA-N 1 3 387.612 3.596 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000553479563 867488410 /nfs/dbraw/zinc/48/84/10/867488410.db2.gz XKCJDLGSSXHAKG-TZIWHRDSSA-N 1 3 398.551 3.578 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000553479563 867488416 /nfs/dbraw/zinc/48/84/16/867488416.db2.gz XKCJDLGSSXHAKG-TZIWHRDSSA-N 1 3 398.551 3.578 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479355523 867600684 /nfs/dbraw/zinc/60/06/84/867600684.db2.gz CZGFIZCYARZPRV-LIRRHRJNSA-N 1 3 398.364 3.655 20 0 GHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000553546631 867634458 /nfs/dbraw/zinc/63/44/58/867634458.db2.gz DSUNXDZWLRNCAF-OEMFJLHTSA-N 1 3 399.623 3.908 20 0 GHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000553546631 867634466 /nfs/dbraw/zinc/63/44/66/867634466.db2.gz DSUNXDZWLRNCAF-OEMFJLHTSA-N 1 3 399.623 3.908 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000155704833 868042888 /nfs/dbraw/zinc/04/28/88/868042888.db2.gz JWYLADJZUMZVDH-ZIAGYGMSSA-N 1 3 375.891 3.618 20 0 GHADHO COC[C@@H]([NH2+]CCCCN1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000554069696 868669875 /nfs/dbraw/zinc/66/98/75/868669875.db2.gz UAFAQDXVEQNZSZ-XMMPIXPASA-N 1 3 381.564 3.875 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000524923855 869794325 /nfs/dbraw/zinc/79/43/25/869794325.db2.gz CXRHJSSZHAJCIR-PZJWPPBQSA-N 1 3 388.600 3.659 20 0 GHADHO Cc1cccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1C ZINC000248172068 870308486 /nfs/dbraw/zinc/30/84/86/870308486.db2.gz UYIBRSPJGONKMK-SIKLNZKXSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1cccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1C ZINC000248172068 870308500 /nfs/dbraw/zinc/30/85/00/870308500.db2.gz UYIBRSPJGONKMK-SIKLNZKXSA-N 1 3 379.548 3.852 20 0 GHADHO CC[N@H+](CCCC1CCN([C@@H](C)c2cnccn2)CC1)[C@H](C)c1cnccn1 ZINC000248619724 870545038 /nfs/dbraw/zinc/54/50/38/870545038.db2.gz MDVMBJXLAVHUIW-MOPGFXCFSA-N 1 3 382.556 3.903 20 0 GHADHO CC[N@@H+](CCCC1CCN([C@@H](C)c2cnccn2)CC1)[C@H](C)c1cnccn1 ZINC000248619724 870545056 /nfs/dbraw/zinc/54/50/56/870545056.db2.gz MDVMBJXLAVHUIW-MOPGFXCFSA-N 1 3 382.556 3.903 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000525392527 870601293 /nfs/dbraw/zinc/60/12/93/870601293.db2.gz NPQIFBGXYFHCKT-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000525392527 870601297 /nfs/dbraw/zinc/60/12/97/870601297.db2.gz NPQIFBGXYFHCKT-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000540171164 870656029 /nfs/dbraw/zinc/65/60/29/870656029.db2.gz TTYMGFZAIFKIFA-OKZBNKHCSA-N 1 3 395.975 3.845 20 0 GHADHO FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000249214545 870791416 /nfs/dbraw/zinc/79/14/16/870791416.db2.gz ZLTXEEBGVFJPKY-QHAWAJNXSA-N 1 3 395.513 3.761 20 0 GHADHO FC(F)C(F)(F)COCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000446973732 870833516 /nfs/dbraw/zinc/83/35/16/870833516.db2.gz FGVSPUBTAJPEOC-OKZBNKHCSA-N 1 3 388.449 3.794 20 0 GHADHO O=C1CCCN1Cc1cccc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000078913994 871014168 /nfs/dbraw/zinc/01/41/68/871014168.db2.gz FSCXNYACGSRXJT-UHFFFAOYSA-N 1 3 377.532 3.563 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccccc3F)C(C)C)CC2)CC1 ZINC000617994724 871106549 /nfs/dbraw/zinc/10/65/49/871106549.db2.gz RLLDWCDCUUEGAS-QFIPXVFZSA-N 1 3 389.559 3.835 20 0 GHADHO Cc1cccc(CN2CC[C@H](NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)c1 ZINC001169150463 871263432 /nfs/dbraw/zinc/26/34/32/871263432.db2.gz SMLHRWZUOKFRMS-DEOSSOPVSA-N 1 3 391.559 3.985 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(Cc4cc(Br)ccc4O3)CC1)C2 ZINC001169152690 871265275 /nfs/dbraw/zinc/26/52/75/871265275.db2.gz CPYFTDVGCXLMAI-PIIMJCKOSA-N 1 3 391.353 3.844 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(Cc4cc(Br)ccc4O3)CC1)C2 ZINC001169152690 871265289 /nfs/dbraw/zinc/26/52/89/871265289.db2.gz CPYFTDVGCXLMAI-PIIMJCKOSA-N 1 3 391.353 3.844 20 0 GHADHO COc1ccc([C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C2CC2)cc1 ZINC000091288699 871269472 /nfs/dbraw/zinc/26/94/72/871269472.db2.gz VHKRPCNGQHLEQQ-DEOSSOPVSA-N 1 3 379.548 3.684 20 0 GHADHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821222 871850379 /nfs/dbraw/zinc/85/03/79/871850379.db2.gz SESQYASLSZBVAQ-VAMGGRTRSA-N 1 3 386.584 3.513 20 0 GHADHO C[N@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@@H](CC(N)=O)c1ccccc1 ZINC001169942060 872030510 /nfs/dbraw/zinc/03/05/10/872030510.db2.gz LALHKAFXCNKPDG-DEOSSOPVSA-N 1 3 393.575 3.880 20 0 GHADHO C[N@@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@@H](CC(N)=O)c1ccccc1 ZINC001169942060 872030519 /nfs/dbraw/zinc/03/05/19/872030519.db2.gz LALHKAFXCNKPDG-DEOSSOPVSA-N 1 3 393.575 3.880 20 0 GHADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2nncn2-c2ccccc2)CC1 ZINC000552253488 872339115 /nfs/dbraw/zinc/33/91/15/872339115.db2.gz FYJDABZPZTVQHC-UHFFFAOYSA-N 1 3 375.520 3.800 20 0 GHADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2nncn2-c2ccccc2)CC1 ZINC000552253488 872339132 /nfs/dbraw/zinc/33/91/32/872339132.db2.gz FYJDABZPZTVQHC-UHFFFAOYSA-N 1 3 375.520 3.800 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000526985840 872420493 /nfs/dbraw/zinc/42/04/93/872420493.db2.gz DDMJEYLZFYPATI-VQIMIIECSA-N 1 3 381.545 3.600 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)ccc1OC ZINC000182492927 872450489 /nfs/dbraw/zinc/45/04/89/872450489.db2.gz DBPQNZKKUAXKEB-WIYYLYMNSA-N 1 3 397.567 3.647 20 0 GHADHO CN1CC[NH+](CCCCN[C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000540920928 872509891 /nfs/dbraw/zinc/50/98/91/872509891.db2.gz QNGOZFWBWCLDBV-QHCPKHFHSA-N 1 3 378.520 3.534 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000527066412 872549500 /nfs/dbraw/zinc/54/95/00/872549500.db2.gz NQBBUILPMZUJSZ-YFNKSVMNSA-N 1 3 394.563 3.607 20 0 GHADHO Cc1ccc(O[C@@H]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)nc1 ZINC000858012303 882717469 /nfs/dbraw/zinc/71/74/69/882717469.db2.gz ZGJHZRSLJTWQGV-JOCHJYFZSA-N 1 3 381.520 3.518 20 0 GHADHO Cc1cc2ncn(C[C@H](O)CN3CCC[C@H]3CC[NH+]3CCC(C)CC3)c2cc1C ZINC001196935942 873486674 /nfs/dbraw/zinc/48/66/74/873486674.db2.gz MXKGAVBUBRLVBU-FCHUYYIVSA-N 1 3 398.595 3.600 20 0 GHADHO Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@H]3CCN3CCC(C)CC3)c2cc1C ZINC001196935942 873486679 /nfs/dbraw/zinc/48/66/79/873486679.db2.gz MXKGAVBUBRLVBU-FCHUYYIVSA-N 1 3 398.595 3.600 20 0 GHADHO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@H]3CCN3CCC(C)CC3)c2cc1C ZINC001196935942 873486682 /nfs/dbraw/zinc/48/66/82/873486682.db2.gz MXKGAVBUBRLVBU-FCHUYYIVSA-N 1 3 398.595 3.600 20 0 GHADHO COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000527972939 873814224 /nfs/dbraw/zinc/81/42/24/873814224.db2.gz ZSBULAGXNZFLHE-FGCOXFRFSA-N 1 3 393.575 3.770 20 0 GHADHO COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000527972941 873814903 /nfs/dbraw/zinc/81/49/03/873814903.db2.gz ZSBULAGXNZFLHE-TUACAJSNSA-N 1 3 393.575 3.770 20 0 GHADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550882712 882762059 /nfs/dbraw/zinc/76/20/59/882762059.db2.gz RPBSTDWMQMEIMH-YTFSRNRJSA-N 1 3 386.580 3.710 20 0 GHADHO C[C@@H](CN1CCCC1=O)N[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000550887960 882774956 /nfs/dbraw/zinc/77/49/56/882774956.db2.gz VSAWKBGOGOBFBG-UGKGYDQZSA-N 1 3 389.559 3.979 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3F)s2)C[C@@H](C)O1 ZINC000449100613 874472589 /nfs/dbraw/zinc/47/25/89/874472589.db2.gz CIUSIERKQBGLNT-HZPDHXFCSA-N 1 3 377.529 3.928 20 0 GHADHO Cn1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)c(-c2ccc(F)cc2)n1 ZINC000449119947 874503623 /nfs/dbraw/zinc/50/36/23/874503623.db2.gz BEXDQQBZFHMNOC-UHFFFAOYSA-N 1 3 396.510 3.847 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000770379131 874620180 /nfs/dbraw/zinc/62/01/80/874620180.db2.gz KUDMZGMAMUYBPV-IEBWSBKVSA-N 1 3 391.556 3.505 20 0 GHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000464976090 874878011 /nfs/dbraw/zinc/87/80/11/874878011.db2.gz XTAXVVVNOQVLCH-RPWUZVMVSA-N 1 3 391.559 3.632 20 0 GHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000464976090 874878015 /nfs/dbraw/zinc/87/80/15/874878015.db2.gz XTAXVVVNOQVLCH-RPWUZVMVSA-N 1 3 391.559 3.632 20 0 GHADHO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000192471836 882926224 /nfs/dbraw/zinc/92/62/24/882926224.db2.gz PSQUJFUOSKZDOK-YKSBVNFPSA-N 1 3 379.548 3.523 20 0 GHADHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C[C@H]2CC=CCC2)C3)c1 ZINC001201411537 875672762 /nfs/dbraw/zinc/67/27/62/875672762.db2.gz QDAMBEKIEGYMTA-TUSQITKMSA-N 1 3 395.591 3.988 20 0 GHADHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C[C@H]2CC=CCC2)C3)c1 ZINC001201411537 875672767 /nfs/dbraw/zinc/67/27/67/875672767.db2.gz QDAMBEKIEGYMTA-TUSQITKMSA-N 1 3 395.591 3.988 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1Br ZINC000192785606 883017765 /nfs/dbraw/zinc/01/77/65/883017765.db2.gz XOKDTYNBSXUXFM-INIZCTEOSA-N 1 3 398.389 3.524 20 0 GHADHO COc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC(F)F ZINC000192920106 883046285 /nfs/dbraw/zinc/04/62/85/883046285.db2.gz UGMVXGLGHSEYSG-GOSISDBHSA-N 1 3 376.447 3.908 20 0 GHADHO CCSCC[C@@H](C)N(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000174038340 876790943 /nfs/dbraw/zinc/79/09/43/876790943.db2.gz DWXHCJBKQUHLLB-LJQANCHMSA-N 1 3 391.625 3.539 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCO2 ZINC000850473925 876952193 /nfs/dbraw/zinc/95/21/93/876952193.db2.gz IKUXYHHJRNNUHD-IBGZPJMESA-N 1 3 380.532 3.689 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(C3OCCO3)cc2)CC1 ZINC000152141823 877016928 /nfs/dbraw/zinc/01/69/28/877016928.db2.gz BHXQRDCQVHJBIU-UHFFFAOYSA-N 1 3 395.547 3.554 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581002 877054342 /nfs/dbraw/zinc/05/43/42/877054342.db2.gz CHRIZWVSUNVSDW-UAOJZALGSA-N 1 3 378.438 3.638 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581002 877054349 /nfs/dbraw/zinc/05/43/49/877054349.db2.gz CHRIZWVSUNVSDW-UAOJZALGSA-N 1 3 378.438 3.638 20 0 GHADHO CCC(CC)(CNC(=O)N1CC[C@H](N2CC=CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000174891927 877312545 /nfs/dbraw/zinc/31/25/45/877312545.db2.gz LQJWFDKRRCCFSX-FPOVZHCZSA-N 1 3 384.568 3.552 20 0 GHADHO C[NH+](C)CCCOc1cnccc1CNCC1(O)CCC(c2ccccc2)CC1 ZINC000530233785 877337296 /nfs/dbraw/zinc/33/72/96/877337296.db2.gz HRJYGUYAWKVHHD-UHFFFAOYSA-N 1 3 397.563 3.591 20 0 GHADHO Clc1ccc(-c2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000530242482 877353038 /nfs/dbraw/zinc/35/30/38/877353038.db2.gz SXEPWJTWJZBJCT-SFHVURJKSA-N 1 3 375.900 3.586 20 0 GHADHO CC(C)C[NH+]1CCC(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 ZINC000717092071 877869417 /nfs/dbraw/zinc/86/94/17/877869417.db2.gz DYCVQPILPNIMHH-MRXNPFEDSA-N 1 3 389.531 3.589 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 ZINC000717092071 877869430 /nfs/dbraw/zinc/86/94/30/877869430.db2.gz DYCVQPILPNIMHH-MRXNPFEDSA-N 1 3 389.531 3.589 20 0 GHADHO C[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCN1Cc1ccccc1 ZINC000176013372 878037255 /nfs/dbraw/zinc/03/72/55/878037255.db2.gz NOHIHAATNWWXGN-FQEVSTJZSA-N 1 3 398.595 3.699 20 0 GHADHO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]13)CC2 ZINC000477725226 878078552 /nfs/dbraw/zinc/07/85/52/878078552.db2.gz YOUHWVQDVNBOIT-BXXSPATCSA-N 1 3 378.564 3.822 20 0 GHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000788669646 878262646 /nfs/dbraw/zinc/26/26/46/878262646.db2.gz FOCJTSQIHKPCKR-VAMGGRTRSA-N 1 3 381.605 3.980 20 0 GHADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176492575 878283051 /nfs/dbraw/zinc/28/30/51/878283051.db2.gz NYUGWEUFARKSQI-UHFFFAOYSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000537968783 878639734 /nfs/dbraw/zinc/63/97/34/878639734.db2.gz WOAGHHJDAAOXHZ-HSZRJFAPSA-N 1 3 379.548 3.623 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000537969829 878640875 /nfs/dbraw/zinc/64/08/75/878640875.db2.gz ULAUWHYGHRMUSA-BJKOFHAPSA-N 1 3 391.559 3.938 20 0 GHADHO CC(C)[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000538098757 878834142 /nfs/dbraw/zinc/83/41/42/878834142.db2.gz KCIWJGHTKDVDNG-SJLPKXTDSA-N 1 3 385.474 3.580 20 0 GHADHO CC(C)[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000538098757 878834149 /nfs/dbraw/zinc/83/41/49/878834149.db2.gz KCIWJGHTKDVDNG-SJLPKXTDSA-N 1 3 385.474 3.580 20 0 GHADHO CN(C)C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000669999587 879096501 /nfs/dbraw/zinc/09/65/01/879096501.db2.gz XBBANNQUXZTOPV-OAQYLSRUSA-N 1 3 375.944 3.673 20 0 GHADHO C[C@H]1CC[C@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140148 879838184 /nfs/dbraw/zinc/83/81/84/879838184.db2.gz XSBVHFDJMGIHRX-FPVCRCAZSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H]1CC[C@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140148 879838206 /nfs/dbraw/zinc/83/82/06/879838206.db2.gz XSBVHFDJMGIHRX-FPVCRCAZSA-N 1 3 383.580 3.821 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C)cc1 ZINC000247945446 880092334 /nfs/dbraw/zinc/09/23/34/880092334.db2.gz DLXJODPZTZDCOA-PKTZIBPZSA-N 1 3 379.548 3.933 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C)cc1 ZINC000247945446 880092340 /nfs/dbraw/zinc/09/23/40/880092340.db2.gz DLXJODPZTZDCOA-PKTZIBPZSA-N 1 3 379.548 3.933 20 0 GHADHO CN1CC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000185841097 880708246 /nfs/dbraw/zinc/70/82/46/880708246.db2.gz UBRVIJICKFDPRR-DHIUTWEWSA-N 1 3 391.559 3.850 20 0 GHADHO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000792279555 881010978 /nfs/dbraw/zinc/01/09/78/881010978.db2.gz CYZXPWRQAWSWAU-CTNGQTDRSA-N 1 3 394.563 3.581 20 0 GHADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000760236792 884107444 /nfs/dbraw/zinc/10/74/44/884107444.db2.gz VGSZHYTWHZFTFD-QHCPKHFHSA-N 1 3 379.548 3.809 20 0 GHADHO CN1CCO[C@@H]([C@@H](NCCCCC[NH+]2CCCC2)c2ccc(Cl)cc2)C1 ZINC000556234385 884187473 /nfs/dbraw/zinc/18/74/73/884187473.db2.gz XCFJJIVVIGXQTQ-RTWAWAEBSA-N 1 3 379.976 3.567 20 0 GHADHO C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465459696 884236090 /nfs/dbraw/zinc/23/60/90/884236090.db2.gz PYURVKVZXZXRBJ-REWPJTCUSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000465459696 884236103 /nfs/dbraw/zinc/23/61/03/884236103.db2.gz PYURVKVZXZXRBJ-REWPJTCUSA-N 1 3 394.563 3.595 20 0 GHADHO CN(CCC(F)(F)F)[C@@H](CNC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000556411181 884812457 /nfs/dbraw/zinc/81/24/57/884812457.db2.gz VVXKWENZLSCRAQ-KRWDZBQOSA-N 1 3 377.882 3.949 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccccc3CN(C)C)cc2)C1 ZINC000498582400 884928984 /nfs/dbraw/zinc/92/89/84/884928984.db2.gz FMKVWTRZWYQMTL-LJQANCHMSA-N 1 3 379.548 3.910 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccccc3CN(C)C)cc2)C1 ZINC000498582400 884929002 /nfs/dbraw/zinc/92/90/02/884929002.db2.gz FMKVWTRZWYQMTL-LJQANCHMSA-N 1 3 379.548 3.910 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806932374 885097271 /nfs/dbraw/zinc/09/72/71/885097271.db2.gz YWAQIMNRJFXEOH-UHFFFAOYSA-N 1 3 378.605 3.691 20 0 GHADHO CCCN(C)[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655766286 885308190 /nfs/dbraw/zinc/30/81/90/885308190.db2.gz CNNWFTZTLSXEGS-FGZHOGPDSA-N 1 3 394.003 3.956 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)cc4nc[nH]c43)c3ccccc23)CC1 ZINC001170522141 885372810 /nfs/dbraw/zinc/37/28/10/885372810.db2.gz ABRALYXIIYASAJ-UHFFFAOYSA-N 1 3 394.910 3.521 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccc4c(c3)OCCCO4)c3ccccc23)CC1 ZINC001170528353 885552290 /nfs/dbraw/zinc/55/22/90/885552290.db2.gz MXOQXMCNOJGTFV-UHFFFAOYSA-N 1 3 391.515 3.757 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cc4nc[nH]c4cc3F)c3ccccc23)CC1 ZINC001170529173 885604581 /nfs/dbraw/zinc/60/45/81/885604581.db2.gz XXTYNQUKCCCOLE-UHFFFAOYSA-N 1 3 377.467 3.612 20 0 GHADHO C[S@](=N)(=O)c1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1 ZINC001170529178 885605399 /nfs/dbraw/zinc/60/53/99/885605399.db2.gz YBCQMMFEPWWYRI-NDEPHWFRSA-N 1 3 396.560 3.632 20 0 GHADHO CC(C)Oc1cccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170531335 885701738 /nfs/dbraw/zinc/70/17/38/885701738.db2.gz NHYMHRRPEUGMGU-UHFFFAOYSA-N 1 3 378.520 3.778 20 0 GHADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001184152469 913033333 /nfs/dbraw/zinc/03/33/33/913033333.db2.gz MPJQCYZERFVBKN-SGNDLWITSA-N 1 3 391.559 3.850 20 0 GHADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001184152469 913033339 /nfs/dbraw/zinc/03/33/39/913033339.db2.gz MPJQCYZERFVBKN-SGNDLWITSA-N 1 3 391.559 3.850 20 0 GHADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000556868719 886416650 /nfs/dbraw/zinc/41/66/50/886416650.db2.gz BJDNKTXMHPKLON-SKPFHBQLSA-N 1 3 397.563 3.853 20 0 GHADHO [NH3+]Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000131816194 886561936 /nfs/dbraw/zinc/56/19/36/886561936.db2.gz BDVRMFZXKLKKKI-LJQANCHMSA-N 1 3 377.410 3.538 20 0 GHADHO C[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000125178124 886835907 /nfs/dbraw/zinc/83/59/07/886835907.db2.gz HAEHQKXRCTWRHO-MSOLQXFVSA-N 1 3 376.508 3.539 20 0 GHADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000119962148 887682636 /nfs/dbraw/zinc/68/26/36/887682636.db2.gz WKZVKIFWEVBSLX-AEFFLSMTSA-N 1 3 397.485 3.689 20 0 GHADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000119962148 887682645 /nfs/dbraw/zinc/68/26/45/887682645.db2.gz WKZVKIFWEVBSLX-AEFFLSMTSA-N 1 3 397.485 3.689 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 ZINC000050802074 887711699 /nfs/dbraw/zinc/71/16/99/887711699.db2.gz NEODWWODXPLGSI-UHFFFAOYSA-N 1 3 393.531 3.767 20 0 GHADHO Cc1ccccc1[C@@H](O)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000809703715 887721060 /nfs/dbraw/zinc/72/10/60/887721060.db2.gz TXPOHWZANOSBLB-DEOSSOPVSA-N 1 3 382.548 3.881 20 0 GHADHO CC(C)CC[C@@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000135125259 887946232 /nfs/dbraw/zinc/94/62/32/887946232.db2.gz XUYLXNKGYDWUHR-NRFANRHFSA-N 1 3 378.605 3.545 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000809973167 888031169 /nfs/dbraw/zinc/03/11/69/888031169.db2.gz JPHIGEAJIDITMO-QFIPXVFZSA-N 1 3 375.532 3.501 20 0 GHADHO C[C@H](NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000865524847 888408635 /nfs/dbraw/zinc/40/86/35/888408635.db2.gz OMTKIFSZKBJQCN-HRCADAONSA-N 1 3 389.531 3.778 20 0 GHADHO C[C@H](NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524847 888408648 /nfs/dbraw/zinc/40/86/48/888408648.db2.gz OMTKIFSZKBJQCN-HRCADAONSA-N 1 3 389.531 3.778 20 0 GHADHO CCCN(CC[NH+](CC)CC)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000763361168 888822444 /nfs/dbraw/zinc/82/24/44/888822444.db2.gz BGSUUURBCRIBOE-UHFFFAOYSA-N 1 3 390.641 3.579 20 0 GHADHO C[C@H](c1ccc(Cl)cc1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130650286 889037181 /nfs/dbraw/zinc/03/71/81/889037181.db2.gz FGFOJRWAJDUAQC-MRXNPFEDSA-N 1 3 379.976 3.817 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000644535747 913349183 /nfs/dbraw/zinc/34/91/83/913349183.db2.gz SBTSPLYJKNOHDQ-TZIWHRDSSA-N 1 3 379.548 3.951 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000644535747 913349202 /nfs/dbraw/zinc/34/92/02/913349202.db2.gz SBTSPLYJKNOHDQ-TZIWHRDSSA-N 1 3 379.548 3.951 20 0 GHADHO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000454671793 889500284 /nfs/dbraw/zinc/50/02/84/889500284.db2.gz ZPNXKSRVEHOJAM-UHFFFAOYSA-N 1 3 392.613 3.520 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000455236240 890571765 /nfs/dbraw/zinc/57/17/65/890571765.db2.gz YDKKTPQQKRXLSC-FQEVSTJZSA-N 1 3 394.563 3.777 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(CC)(CC)C(F)(F)F)CC2)CC1 ZINC000871264595 890716638 /nfs/dbraw/zinc/71/66/38/890716638.db2.gz SHRQGTCFYHAMRT-UHFFFAOYSA-N 1 3 391.522 3.668 20 0 GHADHO C[C@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000873212147 891525509 /nfs/dbraw/zinc/52/55/09/891525509.db2.gz ICGFXRMVWZPVCL-HNNXBMFYSA-N 1 3 392.528 3.892 20 0 GHADHO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cccc(Cl)c1F ZINC000161544903 891739359 /nfs/dbraw/zinc/73/93/59/891739359.db2.gz WCJYGZFHMBAXIB-GOSISDBHSA-N 1 3 376.907 3.867 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000813878906 892060903 /nfs/dbraw/zinc/06/09/03/892060903.db2.gz JTZAZJXKHLQDJY-LPHOPBHVSA-N 1 3 383.552 3.721 20 0 GHADHO O=C(NC[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261775019 892108060 /nfs/dbraw/zinc/10/80/60/892108060.db2.gz GYYJXXFUQYIQGS-ZBFHGGJFSA-N 1 3 391.968 3.635 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1)c1ccccc1 ZINC000825796208 892639647 /nfs/dbraw/zinc/63/96/47/892639647.db2.gz ZMLWZGXFCUWWCC-RBUKOAKNSA-N 1 3 388.943 3.633 20 0 GHADHO C[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508722370 892977088 /nfs/dbraw/zinc/97/70/88/892977088.db2.gz XLPYRLIEADOOSZ-FUHWJXTLSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1ncccc1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722370 892977094 /nfs/dbraw/zinc/97/70/94/892977094.db2.gz XLPYRLIEADOOSZ-FUHWJXTLSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1ncccc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722370 892977098 /nfs/dbraw/zinc/97/70/98/892977098.db2.gz XLPYRLIEADOOSZ-FUHWJXTLSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000536708492 893610664 /nfs/dbraw/zinc/61/06/64/893610664.db2.gz FJOUTBKMQNXYEE-SFHVURJKSA-N 1 3 385.531 3.883 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000536708492 893610673 /nfs/dbraw/zinc/61/06/73/893610673.db2.gz FJOUTBKMQNXYEE-SFHVURJKSA-N 1 3 385.531 3.883 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc(Cl)n1 ZINC000877450385 893614454 /nfs/dbraw/zinc/61/44/54/893614454.db2.gz GKNZUJCTQGLZQC-ATZDWAIDSA-N 1 3 392.975 3.580 20 0 GHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000536829073 893861910 /nfs/dbraw/zinc/86/19/10/893861910.db2.gz VPZYWEWBUDDXJC-KUHUBIRLSA-N 1 3 377.326 3.911 20 0 GHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000536829073 893861923 /nfs/dbraw/zinc/86/19/23/893861923.db2.gz VPZYWEWBUDDXJC-KUHUBIRLSA-N 1 3 377.326 3.911 20 0 GHADHO CC(C)n1ncc2cc(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)c(Cl)nc21 ZINC000126818278 893918958 /nfs/dbraw/zinc/91/89/58/893918958.db2.gz NSPKAGMLFVUOIH-HOTGVXAUSA-N 1 3 393.963 3.645 20 0 GHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000498291482 893935450 /nfs/dbraw/zinc/93/54/50/893935450.db2.gz HBCFWVYRSOGRPS-VXKWHMMOSA-N 1 3 386.584 3.544 20 0 GHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000498291482 893935461 /nfs/dbraw/zinc/93/54/61/893935461.db2.gz HBCFWVYRSOGRPS-VXKWHMMOSA-N 1 3 386.584 3.544 20 0 GHADHO Cc1cc(F)ccc1[C@H](C)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000815578371 894015914 /nfs/dbraw/zinc/01/59/14/894015914.db2.gz NCAKFSQXAVWJSS-FXAWDEMLSA-N 1 3 383.511 3.682 20 0 GHADHO Cc1cc(F)ccc1[C@H](C)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000815578371 894015935 /nfs/dbraw/zinc/01/59/35/894015935.db2.gz NCAKFSQXAVWJSS-FXAWDEMLSA-N 1 3 383.511 3.682 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCC[C@@H](c4ccccc4)O3)CC2)CC1 ZINC000878323394 894194464 /nfs/dbraw/zinc/19/44/64/894194464.db2.gz WUFNKAGKYSMKDJ-RPWUZVMVSA-N 1 3 385.596 3.787 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573564 894397744 /nfs/dbraw/zinc/39/77/44/894397744.db2.gz LIZBFRYGWGBUDR-RTBURBONSA-N 1 3 378.582 3.538 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573564 894397757 /nfs/dbraw/zinc/39/77/57/894397757.db2.gz LIZBFRYGWGBUDR-RTBURBONSA-N 1 3 378.582 3.538 20 0 GHADHO c1cnc([C@@H]2CCCN2CCCCCC[N@@H+]2CCC[C@H]2c2ncccn2)nc1 ZINC000878976759 894761243 /nfs/dbraw/zinc/76/12/43/894761243.db2.gz WBOMHRAQTDMVFA-PMACEKPBSA-N 1 3 380.540 3.801 20 0 GHADHO c1cnc([C@@H]2CCCN2CCCCCC[N@H+]2CCC[C@H]2c2ncccn2)nc1 ZINC000878976759 894761252 /nfs/dbraw/zinc/76/12/52/894761252.db2.gz WBOMHRAQTDMVFA-PMACEKPBSA-N 1 3 380.540 3.801 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](c4ccc(C)cc4)C[C@H]3C)CC2)CC1 ZINC000565548534 895715856 /nfs/dbraw/zinc/71/58/56/895715856.db2.gz JBDXIUHWNUMGIR-NFBKMPQASA-N 1 3 397.607 3.896 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)C2(OC)CCOCC2)ccc1OC ZINC000817587785 895757576 /nfs/dbraw/zinc/75/75/76/895757576.db2.gz HTDHOVRYOKGWPL-ROUUACIJSA-N 1 3 378.557 3.772 20 0 GHADHO O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1C(F)(F)F ZINC000817890622 895931157 /nfs/dbraw/zinc/93/11/57/895931157.db2.gz VLRUEOYATNRDRB-QWFCFKBJSA-N 1 3 392.421 3.584 20 0 GHADHO O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000817893200 895951175 /nfs/dbraw/zinc/95/11/75/895951175.db2.gz FQMBUIWVFACWBD-GGPKGHCWSA-N 1 3 393.314 3.872 20 0 GHADHO O[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1Cl ZINC000817905540 895956422 /nfs/dbraw/zinc/95/64/22/895956422.db2.gz NZRGQELUFSHRKN-NLWGTHIKSA-N 1 3 393.314 3.872 20 0 GHADHO [NH3+]CCc1ccc(CN[C@@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000817947648 895973451 /nfs/dbraw/zinc/97/34/51/895973451.db2.gz DVUQQQWCVDZFCN-GOSISDBHSA-N 1 3 375.310 3.954 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000566470200 896330274 /nfs/dbraw/zinc/33/02/74/896330274.db2.gz OZFPLEVGSJRNTO-VWNXMTODSA-N 1 3 397.607 3.883 20 0 GHADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000819016043 896351662 /nfs/dbraw/zinc/35/16/62/896351662.db2.gz RPSJECMHUFIXSS-GHTZIAJQSA-N 1 3 392.465 3.893 20 0 GHADHO CC(C)OCC[NH+]1CCC(NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819128595 896429199 /nfs/dbraw/zinc/42/91/99/896429199.db2.gz OMGBSGBLVFXJOX-GOSISDBHSA-N 1 3 375.340 3.506 20 0 GHADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000819282967 896525696 /nfs/dbraw/zinc/52/56/96/896525696.db2.gz DWHDGZPVYVAZBX-UPVQGACJSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819282967 896525704 /nfs/dbraw/zinc/52/57/04/896525704.db2.gz DWHDGZPVYVAZBX-UPVQGACJSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000819282964 896525901 /nfs/dbraw/zinc/52/59/01/896525901.db2.gz DWHDGZPVYVAZBX-ISKFKSNPSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819282964 896525909 /nfs/dbraw/zinc/52/59/09/896525909.db2.gz DWHDGZPVYVAZBX-ISKFKSNPSA-N 1 3 382.548 3.545 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000568144254 897632517 /nfs/dbraw/zinc/63/25/17/897632517.db2.gz ANNCHUKYTWZOHX-UYAOXDASSA-N 1 3 393.531 3.970 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000569039138 898292293 /nfs/dbraw/zinc/29/22/93/898292293.db2.gz PDPBFKYWKIFRFH-MFSJNOQSSA-N 1 3 398.522 3.757 20 0 GHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001137009122 900050750 /nfs/dbraw/zinc/05/07/50/900050750.db2.gz SIHHSGLGZOFDLE-FQEVSTJZSA-N 1 3 390.531 3.885 20 0 GHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001137009122 900050758 /nfs/dbraw/zinc/05/07/58/900050758.db2.gz SIHHSGLGZOFDLE-FQEVSTJZSA-N 1 3 390.531 3.885 20 0 GHADHO FC(F)(F)c1cnc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001137022183 900101619 /nfs/dbraw/zinc/10/16/19/900101619.db2.gz VBSGWJVFBYSPCB-SJORKVTESA-N 1 3 378.442 3.773 20 0 GHADHO FC(F)(F)c1cnc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001137022183 900101622 /nfs/dbraw/zinc/10/16/22/900101622.db2.gz VBSGWJVFBYSPCB-SJORKVTESA-N 1 3 378.442 3.773 20 0 GHADHO FC(F)(F)c1cnc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001137022182 900101840 /nfs/dbraw/zinc/10/18/40/900101840.db2.gz VBSGWJVFBYSPCB-IRXDYDNUSA-N 1 3 378.442 3.773 20 0 GHADHO FC(F)(F)c1cnc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001137022182 900101843 /nfs/dbraw/zinc/10/18/43/900101843.db2.gz VBSGWJVFBYSPCB-IRXDYDNUSA-N 1 3 378.442 3.773 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)COC3)CC2 ZINC001137024048 900112075 /nfs/dbraw/zinc/11/20/75/900112075.db2.gz ONVZXZLIDLUFKV-DEOSSOPVSA-N 1 3 392.543 3.972 20 0 GHADHO C[C@@H]1C[C@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc21 ZINC000572519473 900213453 /nfs/dbraw/zinc/21/34/53/900213453.db2.gz FMIQRERTWCQBDD-MONBJTKQSA-N 1 3 377.532 3.722 20 0 GHADHO C[C@@H]1C[C@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc21 ZINC000572519473 900213464 /nfs/dbraw/zinc/21/34/64/900213464.db2.gz FMIQRERTWCQBDD-MONBJTKQSA-N 1 3 377.532 3.722 20 0 GHADHO Brc1ccc(-c2cnc(CN3CCC4(C3)CC[NH2+]CC4)o2)cc1 ZINC000844223209 900589397 /nfs/dbraw/zinc/58/93/97/900589397.db2.gz VMYWELFUJAKHGP-UHFFFAOYSA-N 1 3 376.298 3.680 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000575023511 901093045 /nfs/dbraw/zinc/09/30/45/901093045.db2.gz LTVOPMSIMLRZDO-QGZVFWFLSA-N 1 3 378.520 3.843 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000575023511 901093052 /nfs/dbraw/zinc/09/30/52/901093052.db2.gz LTVOPMSIMLRZDO-QGZVFWFLSA-N 1 3 378.520 3.843 20 0 GHADHO CCSc1cccc(F)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000290197700 914570502 /nfs/dbraw/zinc/57/05/02/914570502.db2.gz VKDZQGOZMHELMK-UHFFFAOYSA-N 1 3 394.560 3.618 20 0 GHADHO Cc1cc(Br)cc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000775031821 914633770 /nfs/dbraw/zinc/63/37/70/914633770.db2.gz UDBVERARLOLTHL-RBUKOAKNSA-N 1 3 381.358 3.615 20 0 GHADHO C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000600854632 903008853 /nfs/dbraw/zinc/00/88/53/903008853.db2.gz OPZYTMKJPKZRLO-NJDAHSKKSA-N 1 3 388.600 3.564 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252443 903214155 /nfs/dbraw/zinc/21/41/55/903214155.db2.gz XBBMOCJZGUNADW-FTGYTKIOSA-N 1 3 391.559 3.919 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252443 903214167 /nfs/dbraw/zinc/21/41/67/903214167.db2.gz XBBMOCJZGUNADW-FTGYTKIOSA-N 1 3 391.559 3.919 20 0 GHADHO C[C@H](C[NH3+])CN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252443 903214179 /nfs/dbraw/zinc/21/41/79/903214179.db2.gz XBBMOCJZGUNADW-FTGYTKIOSA-N 1 3 391.559 3.919 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000132640668 903289269 /nfs/dbraw/zinc/28/92/69/903289269.db2.gz SXWRBMRYFSICGD-HSZRJFAPSA-N 1 3 380.532 3.955 20 0 GHADHO C[C@@H]1CCN(C(=O)c2cccc(CC[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC001148249623 904016644 /nfs/dbraw/zinc/01/66/44/904016644.db2.gz JMYRMGDRSBTWMP-HXUWFJFHSA-N 1 3 379.548 3.527 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@@H](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171628701 904851081 /nfs/dbraw/zinc/85/10/81/904851081.db2.gz GXGMOXFNMKRLGA-SFHVURJKSA-N 1 3 379.589 3.873 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3CC3CCCC3)cc2)CC1 ZINC001171631338 904851967 /nfs/dbraw/zinc/85/19/67/904851967.db2.gz KCVZSKVBCZOHFM-HSZRJFAPSA-N 1 3 398.595 3.812 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3CC3CCCC3)cc2)CC1 ZINC001171631338 904851981 /nfs/dbraw/zinc/85/19/81/904851981.db2.gz KCVZSKVBCZOHFM-HSZRJFAPSA-N 1 3 398.595 3.812 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171631476 904853348 /nfs/dbraw/zinc/85/33/48/904853348.db2.gz JAFJZHMLZHCUBA-QFIPXVFZSA-N 1 3 379.589 3.971 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171631476 904853361 /nfs/dbraw/zinc/85/33/61/904853361.db2.gz JAFJZHMLZHCUBA-QFIPXVFZSA-N 1 3 379.589 3.971 20 0 GHADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604869 904866460 /nfs/dbraw/zinc/86/64/60/904866460.db2.gz IDWRROXGHVXNBL-HCXYKTFWSA-N 1 3 379.589 3.684 20 0 GHADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604869 904866477 /nfs/dbraw/zinc/86/64/77/904866477.db2.gz IDWRROXGHVXNBL-HCXYKTFWSA-N 1 3 379.589 3.684 20 0 GHADHO Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001171673995 904915858 /nfs/dbraw/zinc/91/58/58/904915858.db2.gz IMFYGCYORJPOSY-FTBPSBKWSA-N 1 3 393.575 3.934 20 0 GHADHO Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001171673995 904915863 /nfs/dbraw/zinc/91/58/63/904915863.db2.gz IMFYGCYORJPOSY-FTBPSBKWSA-N 1 3 393.575 3.934 20 0 GHADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001171676154 904919756 /nfs/dbraw/zinc/91/97/56/904919756.db2.gz XKKLXCYQZBTHDF-NQHRYMMQSA-N 1 3 393.575 3.934 20 0 GHADHO Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001171676154 904919763 /nfs/dbraw/zinc/91/97/63/904919763.db2.gz XKKLXCYQZBTHDF-NQHRYMMQSA-N 1 3 393.575 3.934 20 0 GHADHO C[NH+]1C(C)(C)CC(N2CCCN(c3nccc(C(F)(F)F)n3)CC2)CC1(C)C ZINC001171638224 904928148 /nfs/dbraw/zinc/92/81/48/904928148.db2.gz XOLYHTFLIYMKDI-UHFFFAOYSA-N 1 3 399.505 3.659 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)CC1(C)C ZINC001171638391 904928222 /nfs/dbraw/zinc/92/82/22/904928222.db2.gz VATMYWYYIVCUDK-UHFFFAOYSA-N 1 3 379.552 3.591 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)CC1(C)C ZINC001171638391 904928226 /nfs/dbraw/zinc/92/82/26/904928226.db2.gz VATMYWYYIVCUDK-UHFFFAOYSA-N 1 3 379.552 3.591 20 0 GHADHO CC1(C)C[C@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)CCN1Cc1ccccc1 ZINC001171983197 905238212 /nfs/dbraw/zinc/23/82/12/905238212.db2.gz NMNOTQLQUSGSHH-IFMALSPDSA-N 1 3 377.532 3.973 20 0 GHADHO O=C(NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1)C1CC1 ZINC001172074205 905281089 /nfs/dbraw/zinc/28/10/89/905281089.db2.gz GFMVOXQUEIFMEK-NUNAXRQHSA-N 1 3 381.564 3.563 20 0 GHADHO O=C(NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CC1 ZINC001172074205 905281097 /nfs/dbraw/zinc/28/10/97/905281097.db2.gz GFMVOXQUEIFMEK-NUNAXRQHSA-N 1 3 381.564 3.563 20 0 GHADHO COCCCN1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172064717 905326650 /nfs/dbraw/zinc/32/66/50/905326650.db2.gz JFRQPLNILNSPOB-JOZNFPNDSA-N 1 3 385.596 3.663 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3nnc(-c4ccc(F)cc4)n3c1)C2 ZINC001172111020 905360197 /nfs/dbraw/zinc/36/01/97/905360197.db2.gz OHXRTHXXCDJNLW-ACDBMABISA-N 1 3 379.483 3.640 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)c(OC3CCOCC3)c(F)c1)C2 ZINC001172115578 905366893 /nfs/dbraw/zinc/36/68/93/905366893.db2.gz SONVDXXKOSULBL-BJWYYQGGSA-N 1 3 380.479 3.628 20 0 GHADHO COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(Br)c1 ZINC001172115088 905367467 /nfs/dbraw/zinc/36/74/67/905367467.db2.gz QQHFKPPJSJGERH-XMTFNYHQSA-N 1 3 395.341 3.658 20 0 GHADHO C[NH+](C)CC[C@@H](NC1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 ZINC001172801206 905873691 /nfs/dbraw/zinc/87/36/91/905873691.db2.gz WVWXLYJNJIXHTP-OTYNDTSQSA-N 1 3 385.552 3.976 20 0 GHADHO Cc1nn(C)c(Cl)c1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176984812 906009960 /nfs/dbraw/zinc/00/99/60/906009960.db2.gz RRUFQXWBZJJFQA-UHFFFAOYSA-N 1 3 390.959 3.543 20 0 GHADHO CN(C)C(=O)Sc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000177030002 906024551 /nfs/dbraw/zinc/02/45/51/906024551.db2.gz AMUZYUWUEIVYEY-UHFFFAOYSA-N 1 3 391.581 3.537 20 0 GHADHO CCC[N@H+](CCCN)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173387550 906416326 /nfs/dbraw/zinc/41/63/26/906416326.db2.gz XXLISETUWHDQOH-KZNAEPCWSA-N 1 3 398.588 3.516 20 0 GHADHO CCC[N@@H+](CCCN)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173387550 906416333 /nfs/dbraw/zinc/41/63/33/906416333.db2.gz XXLISETUWHDQOH-KZNAEPCWSA-N 1 3 398.588 3.516 20 0 GHADHO COC(=O)c1ccc(C[C@@H](C)[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)cc1 ZINC001173726311 906691817 /nfs/dbraw/zinc/69/18/17/906691817.db2.gz VYWKMCQFUVGJHB-LJQANCHMSA-N 1 3 396.531 3.985 20 0 GHADHO CSc1ccc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1F ZINC000180997976 906892872 /nfs/dbraw/zinc/89/28/72/906892872.db2.gz OCXMRRSFUNFUDH-HNNXBMFYSA-N 1 3 389.540 3.690 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCCc3ncccc32)cc1OC ZINC000631569384 907761265 /nfs/dbraw/zinc/76/12/65/907761265.db2.gz HFGKHSBBZCOKHE-OAQYLSRUSA-N 1 3 383.536 3.978 20 0 GHADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCCc4ncccc43)C3(C2)CCOCC3)cc1 ZINC000631634900 907784989 /nfs/dbraw/zinc/78/49/89/907784989.db2.gz NWWXAKDUCZVYLP-XUZZJYLKSA-N 1 3 391.559 3.977 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCCS2 ZINC000188037408 908170062 /nfs/dbraw/zinc/17/00/62/908170062.db2.gz ATKVGKLTGKNZHH-OXQOHEQNSA-N 1 3 376.566 3.713 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCS2 ZINC000191547367 908640362 /nfs/dbraw/zinc/64/03/62/908640362.db2.gz PPPODWNLOURBMP-GHTZIAJQSA-N 1 3 384.545 3.589 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCS2 ZINC000191547367 908640369 /nfs/dbraw/zinc/64/03/69/908640369.db2.gz PPPODWNLOURBMP-GHTZIAJQSA-N 1 3 384.545 3.589 20 0 GHADHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(O)c1 ZINC000194881229 908971775 /nfs/dbraw/zinc/97/17/75/908971775.db2.gz HIMXSKALXQJGAD-GOSISDBHSA-N 1 3 384.520 3.733 20 0 GHADHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(O)c1 ZINC000194881229 908971784 /nfs/dbraw/zinc/97/17/84/908971784.db2.gz HIMXSKALXQJGAD-GOSISDBHSA-N 1 3 384.520 3.733 20 0 GHADHO CCC[NH+]1CCC(NC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC001178592964 909115640 /nfs/dbraw/zinc/11/56/40/909115640.db2.gz BGSRAJPGUVXRRL-UHFFFAOYSA-N 1 3 391.559 3.698 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001178727454 909221273 /nfs/dbraw/zinc/22/12/73/909221273.db2.gz UCAXLZNCABBKCD-AUSIDOKSSA-N 1 3 383.580 3.620 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001178727454 909221293 /nfs/dbraw/zinc/22/12/93/909221293.db2.gz UCAXLZNCABBKCD-AUSIDOKSSA-N 1 3 383.580 3.620 20 0 GHADHO COCCOC[C@@H]1CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001179854346 909770304 /nfs/dbraw/zinc/77/03/04/909770304.db2.gz FGWUPRNXNJGJKA-ISKFKSNPSA-N 1 3 388.596 3.910 20 0 GHADHO COCCOC[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001179854346 909770318 /nfs/dbraw/zinc/77/03/18/909770318.db2.gz FGWUPRNXNJGJKA-ISKFKSNPSA-N 1 3 388.596 3.910 20 0 GHADHO COCC[C@H](CN1CCC(C[NH+]2CCCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001180125055 909972258 /nfs/dbraw/zinc/97/22/58/909972258.db2.gz PSCYVLCBJWVXSN-HXUWFJFHSA-N 1 3 397.604 3.504 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000268811392 910029162 /nfs/dbraw/zinc/02/91/62/910029162.db2.gz UDTHQMIJHNAVIZ-GCJKJVERSA-N 1 3 375.520 3.718 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000268811392 910029175 /nfs/dbraw/zinc/02/91/75/910029175.db2.gz UDTHQMIJHNAVIZ-GCJKJVERSA-N 1 3 375.520 3.718 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cn1 ZINC000268811392 910029190 /nfs/dbraw/zinc/02/91/90/910029190.db2.gz UDTHQMIJHNAVIZ-GCJKJVERSA-N 1 3 375.520 3.718 20 0 GHADHO COc1cc2cccnc2c(N(C(=O)CN(C)C2CCCC2)[C@@H](C)CCC[NH3+])c1 ZINC001180630113 910275680 /nfs/dbraw/zinc/27/56/80/910275680.db2.gz KASZGIGGOJEXED-KRWDZBQOSA-N 1 3 398.551 3.578 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000801923286 921631760 /nfs/dbraw/zinc/63/17/60/921631760.db2.gz CZGWXAOODBUZGF-PMACEKPBSA-N 1 3 379.589 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000801923286 921631766 /nfs/dbraw/zinc/63/17/66/921631766.db2.gz CZGWXAOODBUZGF-PMACEKPBSA-N 1 3 379.589 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000801923286 921631772 /nfs/dbraw/zinc/63/17/72/921631772.db2.gz CZGWXAOODBUZGF-PMACEKPBSA-N 1 3 379.589 3.831 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc2c(c1)CCC(=O)N2C ZINC000248430472 912092589 /nfs/dbraw/zinc/09/25/89/912092589.db2.gz VVSCRZSUMALFIN-XMZFGDCGSA-N 1 3 391.559 3.842 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc2c(c1)CCC(=O)N2C ZINC000248430472 912092603 /nfs/dbraw/zinc/09/26/03/912092603.db2.gz VVSCRZSUMALFIN-XMZFGDCGSA-N 1 3 391.559 3.842 20 0 GHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000646946184 914944374 /nfs/dbraw/zinc/94/43/74/914944374.db2.gz HQEATMYMNNPCEJ-QFIPXVFZSA-N 1 3 379.548 3.950 20 0 GHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000646946184 914944381 /nfs/dbraw/zinc/94/43/81/914944381.db2.gz HQEATMYMNNPCEJ-QFIPXVFZSA-N 1 3 379.548 3.950 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(NC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000291103335 914978378 /nfs/dbraw/zinc/97/83/78/914978378.db2.gz JOJVEJWKARACRE-XMSQKQJNSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000291103335 914978387 /nfs/dbraw/zinc/97/83/87/914978387.db2.gz JOJVEJWKARACRE-XMSQKQJNSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377972 915645127 /nfs/dbraw/zinc/64/51/27/915645127.db2.gz ZOWBOSVZKVQCHC-YDHSSHFGSA-N 1 3 379.548 3.950 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377972 915645132 /nfs/dbraw/zinc/64/51/32/915645132.db2.gz ZOWBOSVZKVQCHC-YDHSSHFGSA-N 1 3 379.548 3.950 20 0 GHADHO C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000649772109 916390574 /nfs/dbraw/zinc/39/05/74/916390574.db2.gz BPHGKYPRUAIDII-QGZVFWFLSA-N 1 3 377.960 3.510 20 0 GHADHO CC[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C(=O)OC)cc1 ZINC000294963077 917070944 /nfs/dbraw/zinc/07/09/44/917070944.db2.gz ZACCDYRGLLFWHN-HSZRJFAPSA-N 1 3 396.531 3.671 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)cc1CN1CCCCC1 ZINC000775379837 917307111 /nfs/dbraw/zinc/30/71/11/917307111.db2.gz FRQYKCZDDJBASW-GOSISDBHSA-N 1 3 396.535 3.756 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)cc1CN1CCCCC1 ZINC000775393412 917384036 /nfs/dbraw/zinc/38/40/36/917384036.db2.gz LWPVYNGRCPAOGU-LJQANCHMSA-N 1 3 394.559 3.862 20 0 GHADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Oc2ccccc2)cn1 ZINC000651228255 917533172 /nfs/dbraw/zinc/53/31/72/917533172.db2.gz DRVDWWSRXFSHHO-OALUTQOASA-N 1 3 380.536 3.693 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775493447 918344413 /nfs/dbraw/zinc/34/44/13/918344413.db2.gz SOIKXHOTDNTENW-GHTZIAJQSA-N 1 3 379.504 3.643 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000800372662 919996977 /nfs/dbraw/zinc/99/69/77/919996977.db2.gz YBZYJDFAWKNMJL-LJQANCHMSA-N 1 3 383.502 3.911 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000800372662 919996984 /nfs/dbraw/zinc/99/69/84/919996984.db2.gz YBZYJDFAWKNMJL-LJQANCHMSA-N 1 3 383.502 3.911 20 0 GHADHO c1ccc(CC[C@@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)c2cccnc2)cc1 ZINC000902803784 922506105 /nfs/dbraw/zinc/50/61/05/922506105.db2.gz ZBEGEHJXPTWNAD-DNQXCXABSA-N 1 3 379.548 3.989 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1cccc(-n2ccnc2)c1 ZINC000902832812 922541076 /nfs/dbraw/zinc/54/10/76/922541076.db2.gz QKNXVPASSNTPNQ-LJQANCHMSA-N 1 3 390.531 3.680 20 0 GHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(-n2ccnc2)c1 ZINC000902832812 922541091 /nfs/dbraw/zinc/54/10/91/922541091.db2.gz QKNXVPASSNTPNQ-LJQANCHMSA-N 1 3 390.531 3.680 20 0 GHADHO C[C@H](NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(-c2ccc(Br)cc2)no1 ZINC000903925853 923402153 /nfs/dbraw/zinc/40/21/53/923402153.db2.gz HZGRLTWNRACGSF-KPGMEVQCSA-N 1 3 391.313 3.680 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000390726197 926397179 /nfs/dbraw/zinc/39/71/79/926397179.db2.gz DREYFWWSRNOAEI-LEWJYISDSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000390726197 926397187 /nfs/dbraw/zinc/39/71/87/926397187.db2.gz DREYFWWSRNOAEI-LEWJYISDSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390726197 926397190 /nfs/dbraw/zinc/39/71/90/926397190.db2.gz DREYFWWSRNOAEI-LEWJYISDSA-N 1 3 387.568 3.888 20 0 GHADHO C[C@H](NCCC(=O)N[C@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519408 926484699 /nfs/dbraw/zinc/48/46/99/926484699.db2.gz SCWMHMHOTJSXQZ-LEDOBFOHSA-N 1 3 383.580 3.813 20 0 GHADHO C[C@H](NCCC(=O)N[C@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519408 926484702 /nfs/dbraw/zinc/48/47/02/926484702.db2.gz SCWMHMHOTJSXQZ-LEDOBFOHSA-N 1 3 383.580 3.813 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)N(C)C)cc1 ZINC000751086994 928023195 /nfs/dbraw/zinc/02/31/95/928023195.db2.gz PTZVRFATWPSBRO-LZBANZJXSA-N 1 3 386.584 3.694 20 0 GHADHO CN1CCC(CN[C@@H](c2ccc(F)cc2)c2ccccn2)([NH+]2CCCCC2)CC1 ZINC000544356776 929087663 /nfs/dbraw/zinc/08/76/63/929087663.db2.gz NXOZRBGTYYPLBA-QHCPKHFHSA-N 1 3 396.554 3.850 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470374388 930569603 /nfs/dbraw/zinc/56/96/03/930569603.db2.gz PGGWEOGXFVQBIR-HDICACEKSA-N 1 3 377.532 3.698 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470374388 930569610 /nfs/dbraw/zinc/56/96/10/930569610.db2.gz PGGWEOGXFVQBIR-HDICACEKSA-N 1 3 377.532 3.698 20 0 GHADHO CN(C)CC[NH+]1CCC(N[C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924632837 931456896 /nfs/dbraw/zinc/45/68/96/931456896.db2.gz OFRGCBUNCAWUII-HSZRJFAPSA-N 1 3 378.520 3.533 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925041246 931622149 /nfs/dbraw/zinc/62/21/49/931622149.db2.gz JMDJESLTNJRCFM-GXTWGEPZSA-N 1 3 390.881 3.573 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925041246 931622155 /nfs/dbraw/zinc/62/21/55/931622155.db2.gz JMDJESLTNJRCFM-GXTWGEPZSA-N 1 3 390.881 3.573 20 0 GHADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCNC[C@H]3C3CCCC3)CC2)cs1 ZINC000925572490 931826711 /nfs/dbraw/zinc/82/67/11/931826711.db2.gz JBPWMQABQYIMTO-SFTDATJTSA-N 1 3 390.641 3.675 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000797021912 932149838 /nfs/dbraw/zinc/14/98/38/932149838.db2.gz MAXVWNFYMZFBGD-QFIPXVFZSA-N 1 3 399.579 3.985 20 0 GHADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879952 932335150 /nfs/dbraw/zinc/33/51/50/932335150.db2.gz MZOQXHFSQYDQJS-RFOKVQRGSA-N 1 3 376.488 3.897 20 0 GHADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879952 932335154 /nfs/dbraw/zinc/33/51/54/932335154.db2.gz MZOQXHFSQYDQJS-RFOKVQRGSA-N 1 3 376.488 3.897 20 0 GHADHO Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000559894653 932927606 /nfs/dbraw/zinc/92/76/06/932927606.db2.gz SSYBIIJRXJSHLV-IRLDBZIGSA-N 1 3 379.548 3.969 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001220706394 1032075743 /nfs/dbraw/zinc/07/57/43/1032075743.db2.gz IBZXHTISERWTAE-NHCUHLMSSA-N 1 3 392.632 3.652 20 0 GHADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000468580862 1015819597 /nfs/dbraw/zinc/81/95/97/1015819597.db2.gz VRUHRRPTGFGMOX-QFIPXVFZSA-N 1 3 385.596 3.696 20 0 GHADHO CC[NH+](CC)CC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469028833 1016352925 /nfs/dbraw/zinc/35/29/25/1016352925.db2.gz RBYGCEPQIJVAAJ-OAQYLSRUSA-N 1 3 393.522 3.510 20 0 GHADHO N[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(Cl)c1Cl ZINC001220918772 1032190611 /nfs/dbraw/zinc/19/06/11/1032190611.db2.gz GAMNADRPKVLGIH-CXAGYDPISA-N 1 3 384.351 3.907 20 0 GHADHO N[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(Cl)c1Cl ZINC001220918772 1032190624 /nfs/dbraw/zinc/19/06/24/1032190624.db2.gz GAMNADRPKVLGIH-CXAGYDPISA-N 1 3 384.351 3.907 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1OC1CCC(F)(F)CC1 ZINC001227161803 1032300177 /nfs/dbraw/zinc/30/01/77/1032300177.db2.gz WVKQALCVQXBAAD-UHFFFAOYSA-N 1 3 383.527 3.828 20 0 GHADHO C[C@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1ncccc1F ZINC001227165048 1032303008 /nfs/dbraw/zinc/30/30/08/1032303008.db2.gz ORIXKPWOEZJSQD-INIZCTEOSA-N 1 3 388.531 3.546 20 0 GHADHO c1cc2n(c1)C[C@H](CCNc1nc(N3CCCC3)cc3ccccc31)C[NH2+]C2 ZINC001155462841 1032551985 /nfs/dbraw/zinc/55/19/85/1032551985.db2.gz QMNITPBWRBEIGK-GOSISDBHSA-N 1 3 375.520 3.858 20 0 GHADHO CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CCOCC1 ZINC000925837578 1017158576 /nfs/dbraw/zinc/15/85/76/1017158576.db2.gz QYPHFTSGFAVKNA-BJKOFHAPSA-N 1 3 393.575 3.751 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cccc4ccccc43)CC2)CC1 ZINC000561222228 1017810446 /nfs/dbraw/zinc/81/04/46/1017810446.db2.gz LEDDZCDRMURHDU-UHFFFAOYSA-N 1 3 393.575 3.695 20 0 GHADHO CCC(CC)(CNC(=O)OC(C)(C)C)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC001204288369 1032729336 /nfs/dbraw/zinc/72/93/36/1032729336.db2.gz SWMYUTGUINGMHM-CEXWTWQISA-N 1 3 397.604 3.501 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccc4c(n3)CCC4)CC2)c1 ZINC000562679931 1018527436 /nfs/dbraw/zinc/52/74/36/1018527436.db2.gz HYMBDCNBCGPVPW-UHFFFAOYSA-N 1 3 378.564 3.571 20 0 GHADHO [NH3+]C[C@H]1CN(Cc2cccc(OCc3ccccc3F)c2)CC12CCOCC2 ZINC000564971035 1019132307 /nfs/dbraw/zinc/13/23/07/1019132307.db2.gz SBORPKVIFOIJIO-FQEVSTJZSA-N 1 3 384.495 3.592 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245786187 1021025483 /nfs/dbraw/zinc/02/54/83/1021025483.db2.gz ZNYYSSCNRWNHAH-MXEMCNAFSA-N 1 3 385.552 3.781 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245786187 1021025493 /nfs/dbraw/zinc/02/54/93/1021025493.db2.gz ZNYYSSCNRWNHAH-MXEMCNAFSA-N 1 3 385.552 3.781 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cc(C)c(C)o1)CC2 ZINC001204532738 1032955099 /nfs/dbraw/zinc/95/50/99/1032955099.db2.gz CYXMXBYNVITRFJ-OAQYLSRUSA-N 1 3 383.536 3.795 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cc(C)c(C)o1)CC2 ZINC001204532738 1032955102 /nfs/dbraw/zinc/95/51/02/1032955102.db2.gz CYXMXBYNVITRFJ-OAQYLSRUSA-N 1 3 383.536 3.795 20 0 GHADHO Nc1ncc(-c2ccccc2C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001140326331 1021407614 /nfs/dbraw/zinc/40/76/14/1021407614.db2.gz MMPFRNRAZMROKT-OFNKIYASSA-N 1 3 399.542 3.680 20 0 GHADHO Nc1ncc(-c2ccccc2C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001140326331 1021407624 /nfs/dbraw/zinc/40/76/24/1021407624.db2.gz MMPFRNRAZMROKT-OFNKIYASSA-N 1 3 399.542 3.680 20 0 GHADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](C)c2cccc(Br)c2)C1 ZINC001204593396 1032988348 /nfs/dbraw/zinc/98/83/48/1032988348.db2.gz QWZJWGZHXHSNOV-LPHOPBHVSA-N 1 3 383.374 3.985 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000679327309 1021986320 /nfs/dbraw/zinc/98/63/20/1021986320.db2.gz HHAOPEWMOKDEAC-YMPZKCBVSA-N 1 3 382.548 3.543 20 0 GHADHO CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001140619197 1022087130 /nfs/dbraw/zinc/08/71/30/1022087130.db2.gz OYQRXOVHDMCTQV-VWLOTQADSA-N 1 3 391.559 3.923 20 0 GHADHO CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001140619197 1022087140 /nfs/dbraw/zinc/08/71/40/1022087140.db2.gz OYQRXOVHDMCTQV-VWLOTQADSA-N 1 3 391.559 3.923 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccc(CO)o4)CC3)CC2)c1 ZINC001140680215 1022250195 /nfs/dbraw/zinc/25/01/95/1022250195.db2.gz SYLYFVNMBRBCQR-UHFFFAOYSA-N 1 3 384.520 3.659 20 0 GHADHO Cc1cc(OC(F)(F)F)ccc1CN1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140962358 1023015641 /nfs/dbraw/zinc/01/56/41/1023015641.db2.gz JFGUKLCDFAOWOL-QZTJIDSGSA-N 1 3 391.437 3.852 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3cccc(C(F)(F)F)c3Cl)CC2)CC1 ZINC001205060854 1033231262 /nfs/dbraw/zinc/23/12/62/1033231262.db2.gz UDHCRKIIHNIDEE-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO Cc1nccn1-c1ccc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001138544548 1024987968 /nfs/dbraw/zinc/98/79/68/1024987968.db2.gz LFGVSDJMKHXWKT-BGYRXZFFSA-N 1 3 378.545 3.806 20 0 GHADHO Cc1nccn1-c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001138544548 1024987974 /nfs/dbraw/zinc/98/79/74/1024987974.db2.gz LFGVSDJMKHXWKT-BGYRXZFFSA-N 1 3 378.545 3.806 20 0 GHADHO Cc1nccn1-c1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138544548 1024987980 /nfs/dbraw/zinc/98/79/80/1024987980.db2.gz LFGVSDJMKHXWKT-BGYRXZFFSA-N 1 3 378.545 3.806 20 0 GHADHO Cc1nccn1-c1ccc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138544548 1024987985 /nfs/dbraw/zinc/98/79/85/1024987985.db2.gz LFGVSDJMKHXWKT-BGYRXZFFSA-N 1 3 378.545 3.806 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cccnc1F)CC2 ZINC001138786964 1025361201 /nfs/dbraw/zinc/36/12/01/1025361201.db2.gz RIPBZBPVNHJTCS-QGZVFWFLSA-N 1 3 375.513 3.538 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cccnc1F)CC2 ZINC001138786964 1025361217 /nfs/dbraw/zinc/36/12/17/1025361217.db2.gz RIPBZBPVNHJTCS-QGZVFWFLSA-N 1 3 375.513 3.538 20 0 GHADHO O=C(OCc1ccccc1)[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000839037818 1025536402 /nfs/dbraw/zinc/53/64/02/1025536402.db2.gz DMFUWJXGVGJPEY-HSZRJFAPSA-N 1 3 378.516 3.730 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2C1 ZINC001461037922 1069352859 /nfs/dbraw/zinc/35/28/59/1069352859.db2.gz CRPMXUDJUVSILL-HNNXBMFYSA-N 1 3 391.581 3.615 20 0 GHADHO COc1ccc(OC)c(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)c1N ZINC001139278461 1026127839 /nfs/dbraw/zinc/12/78/39/1026127839.db2.gz DZYNCTZSRHRORK-UHFFFAOYSA-N 1 3 383.536 3.630 20 0 GHADHO CC1(C)CN(C[C@H](O)c2ccc(F)cn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000834382280 1026962353 /nfs/dbraw/zinc/96/23/53/1026962353.db2.gz IZKDHMALGQHMSY-GOTSBHOMSA-N 1 3 397.538 3.877 20 0 GHADHO COc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc2c1OCO2 ZINC001209718896 1027116981 /nfs/dbraw/zinc/11/69/81/1027116981.db2.gz RDOLPNFZKRXPKD-NHCUHLMSSA-N 1 3 394.515 3.768 20 0 GHADHO COc1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc2c1OCO2 ZINC001209718896 1027116990 /nfs/dbraw/zinc/11/69/90/1027116990.db2.gz RDOLPNFZKRXPKD-NHCUHLMSSA-N 1 3 394.515 3.768 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnc(-c3ccc(C)o3)s2)[C@@H](C)C1 ZINC001461204753 1069441992 /nfs/dbraw/zinc/44/19/92/1069441992.db2.gz DRIMUMMEJYTUAY-MAUKXSAKSA-N 1 3 377.554 3.938 20 0 GHADHO CC[NH+]1CCC(CC2CCN(Cc3ccc(OC(C)=O)c(OC)c3)CC2)CC1 ZINC001203836918 1027645961 /nfs/dbraw/zinc/64/59/61/1027645961.db2.gz LAVROKDIBXYQBV-UHFFFAOYSA-N 1 3 388.552 3.955 20 0 GHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC001210826113 1027665177 /nfs/dbraw/zinc/66/51/77/1027665177.db2.gz FYLFJJFWMALETC-OAQYLSRUSA-N 1 3 388.600 3.707 20 0 GHADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC001211279092 1027884367 /nfs/dbraw/zinc/88/43/67/1027884367.db2.gz ZSTBOHSUSBMCOC-JTDSTZFVSA-N 1 3 380.964 3.505 20 0 GHADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001211279092 1027884381 /nfs/dbraw/zinc/88/43/81/1027884381.db2.gz ZSTBOHSUSBMCOC-JTDSTZFVSA-N 1 3 380.964 3.505 20 0 GHADHO CC1CCC(N2CCN(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)CC2)CC1 ZINC001211332222 1027911205 /nfs/dbraw/zinc/91/12/05/1027911205.db2.gz ZMFNAYTUISGDED-IQWMQGJTSA-N 1 3 398.595 3.729 20 0 GHADHO COCC1(CNCc2c(Cl)n(-c3ccccc3)nc2C(C)C)CC[NH2+]CC1 ZINC000841068218 1028087450 /nfs/dbraw/zinc/08/74/50/1028087450.db2.gz KZVBZYKVILNWPJ-UHFFFAOYSA-N 1 3 390.959 3.755 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671848 1029475924 /nfs/dbraw/zinc/47/59/24/1029475924.db2.gz ZHCOOWYAACHIRW-UGKGYDQZSA-N 1 3 396.531 3.524 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671848 1029475935 /nfs/dbraw/zinc/47/59/35/1029475935.db2.gz ZHCOOWYAACHIRW-UGKGYDQZSA-N 1 3 396.531 3.524 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C1 ZINC000842677919 1029484287 /nfs/dbraw/zinc/48/42/87/1029484287.db2.gz MHCLJVSLOCJEPV-UAFMIMERSA-N 1 3 379.589 3.732 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1CN1CCCCC1 ZINC000842917020 1029683071 /nfs/dbraw/zinc/68/30/71/1029683071.db2.gz SJOUKLBVNNXGHD-WZONZLPQSA-N 1 3 390.568 3.509 20 0 GHADHO COc1ccccc1Sc1ccc(CN2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001222211216 1030008365 /nfs/dbraw/zinc/00/83/65/1030008365.db2.gz HILRXCXJTWHYRP-UHFFFAOYSA-N 1 3 384.545 3.801 20 0 GHADHO CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC001149819999 1030314586 /nfs/dbraw/zinc/31/45/86/1030314586.db2.gz NBTLGPVRDGXFLZ-OAQYLSRUSA-N 1 3 389.559 3.664 20 0 GHADHO [NH3+]C1CCN(Cc2ccc(O[C@@H]3CCN(Cc4ccccc4Cl)C3)cc2)CC1 ZINC001218410796 1030927608 /nfs/dbraw/zinc/92/76/08/1030927608.db2.gz NYYSNDVYZZQOCE-JOCHJYFZSA-N 1 3 399.966 3.916 20 0 GHADHO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001218860602 1031121433 /nfs/dbraw/zinc/12/14/33/1031121433.db2.gz GALVEFGNCGWOEV-GOTSBHOMSA-N 1 3 393.531 3.983 20 0 GHADHO C[N@H+]1Cc2c(NC(=O)[C@@H](N)Cc3ccsc3)cccc2[C@H](c2ccccc2)C1 ZINC001219046651 1031228200 /nfs/dbraw/zinc/22/82/00/1031228200.db2.gz GEBFJSDKLBGMBJ-FPOVZHCZSA-N 1 3 391.540 3.834 20 0 GHADHO C[N@@H+]1Cc2c(NC(=O)[C@@H](N)Cc3ccsc3)cccc2[C@H](c2ccccc2)C1 ZINC001219046651 1031228216 /nfs/dbraw/zinc/22/82/16/1031228216.db2.gz GEBFJSDKLBGMBJ-FPOVZHCZSA-N 1 3 391.540 3.834 20 0 GHADHO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1 ZINC001219495496 1031460140 /nfs/dbraw/zinc/46/01/40/1031460140.db2.gz VIONHAYAMGCZTI-NRFANRHFSA-N 1 3 395.547 3.969 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+]CCCCC(=O)OCc2ccccc2)CC1 ZINC001205389259 1033390366 /nfs/dbraw/zinc/39/03/66/1033390366.db2.gz XVFUHRGAUUMTQD-UHFFFAOYSA-N 1 3 388.552 3.523 20 0 GHADHO N=C(NCCCC[NH3+])Nc1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001157099970 1033413066 /nfs/dbraw/zinc/41/30/66/1033413066.db2.gz VFCKFYWPOVXLKC-UHFFFAOYSA-N 1 3 386.550 3.584 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205637651 1033505264 /nfs/dbraw/zinc/50/52/64/1033505264.db2.gz ICLKROZCBPWXFS-KGLIPLIRSA-N 1 3 377.916 3.805 20 0 GHADHO COc1ccc(OC(F)(F)F)cc1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001157702328 1033731725 /nfs/dbraw/zinc/73/17/25/1033731725.db2.gz WAADOIVEPHXNPD-UHFFFAOYSA-N 1 3 396.413 3.528 20 0 GHADHO N[C@@H]1CC[N@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@@H]1F ZINC001206166263 1033749818 /nfs/dbraw/zinc/74/98/18/1033749818.db2.gz RMTPOKIMLKKNAQ-ZWKOTPCHSA-N 1 3 378.289 3.772 20 0 GHADHO N[C@@H]1CC[N@@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@@H]1F ZINC001206166263 1033749823 /nfs/dbraw/zinc/74/98/23/1033749823.db2.gz RMTPOKIMLKKNAQ-ZWKOTPCHSA-N 1 3 378.289 3.772 20 0 GHADHO CN(C)Cc1ccc(-c2noc(C3(Cc4ccc(F)cc4)CC[NH2+]CC3)n2)cc1 ZINC001206349073 1033807197 /nfs/dbraw/zinc/80/71/97/1033807197.db2.gz HUQFZJSAGOXXAD-UHFFFAOYSA-N 1 3 394.494 3.801 20 0 GHADHO CC1=CC[C@@H](CCN2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)C1(C)C ZINC001207279029 1034233103 /nfs/dbraw/zinc/23/31/03/1034233103.db2.gz KYZKMRFKTMSHRE-FQEVSTJZSA-N 1 3 375.601 3.634 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207288899 1034238691 /nfs/dbraw/zinc/23/86/91/1034238691.db2.gz DUCOTGHOGGLYLJ-VXKWHMMOSA-N 1 3 399.579 3.982 20 0 GHADHO CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001207370167 1034312339 /nfs/dbraw/zinc/31/23/39/1034312339.db2.gz KTPCAXDGVXIDML-NRFANRHFSA-N 1 3 387.568 3.982 20 0 GHADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)CC[N@@H+]1C ZINC001159207317 1034482063 /nfs/dbraw/zinc/48/20/63/1034482063.db2.gz CAPIVNWIYYWRBT-KMDXXIMOSA-N 1 3 399.623 3.908 20 0 GHADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)CC[N@H+]1C ZINC001159207317 1034482066 /nfs/dbraw/zinc/48/20/66/1034482066.db2.gz CAPIVNWIYYWRBT-KMDXXIMOSA-N 1 3 399.623 3.908 20 0 GHADHO Cc1cc2c(ncnc2-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)s1 ZINC001159460047 1034605654 /nfs/dbraw/zinc/60/56/54/1034605654.db2.gz MEHZOYBRPJZTIL-UHFFFAOYSA-N 1 3 391.544 3.909 20 0 GHADHO CN(C)c1cccc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC001159516745 1034633402 /nfs/dbraw/zinc/63/34/02/1034633402.db2.gz XZPSPFFMHLVNQL-QFIPXVFZSA-N 1 3 390.531 3.623 20 0 GHADHO O=C(c1ccc(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)N1CCN(C2CCCCC2)CC1 ZINC001159528827 1034642701 /nfs/dbraw/zinc/64/27/01/1034642701.db2.gz BFAAALHZLNXIOQ-RTWAWAEBSA-N 1 3 394.563 3.597 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cccc(-c4ccccc4)c3)CC[C@@H]2C1 ZINC001231508702 1034656774 /nfs/dbraw/zinc/65/67/74/1034656774.db2.gz NNOUXUXGGUNOSD-DNQXCXABSA-N 1 3 380.532 3.523 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cccc(-c4ccccc4)c3)CC[C@@H]2C1 ZINC001231508702 1034656780 /nfs/dbraw/zinc/65/67/80/1034656780.db2.gz NNOUXUXGGUNOSD-DNQXCXABSA-N 1 3 380.532 3.523 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c[nH]c3cnccc13)CC2 ZINC001231516417 1034666358 /nfs/dbraw/zinc/66/63/58/1034666358.db2.gz IOHRNNORBUEORX-OAQYLSRUSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c[nH]c3cnccc13)CC2 ZINC001231516417 1034666366 /nfs/dbraw/zinc/66/63/66/1034666366.db2.gz IOHRNNORBUEORX-OAQYLSRUSA-N 1 3 390.531 3.818 20 0 GHADHO C[C@H](c1ccc(Br)cc1)N1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208115274 1034741596 /nfs/dbraw/zinc/74/15/96/1034741596.db2.gz IWCPCHOWHFNNNM-QGZVFWFLSA-N 1 3 394.401 3.860 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001208243909 1034832330 /nfs/dbraw/zinc/83/23/30/1034832330.db2.gz QHHVHCRKKAYLRQ-SFHVURJKSA-N 1 3 397.579 3.922 20 0 GHADHO [NH3+]C1CCN(c2ccc(F)cc2NC2=CCCN(Cc3ccccc3)C2)CC1 ZINC001160079930 1034851813 /nfs/dbraw/zinc/85/18/13/1034851813.db2.gz RJUYSGREISZUCT-UHFFFAOYSA-N 1 3 380.511 3.955 20 0 GHADHO Cc1ccccc1-c1ccccc1C[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001231809236 1034922728 /nfs/dbraw/zinc/92/27/28/1034922728.db2.gz JQACGYURJPPIHW-UHFFFAOYSA-N 1 3 391.559 3.824 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cc(C)nc(C)c1)CC2 ZINC001231997704 1035032040 /nfs/dbraw/zinc/03/20/40/1035032040.db2.gz FHEXAPDTSLZDCP-QHCPKHFHSA-N 1 3 394.563 3.597 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cc(C)nc(C)c1)CC2 ZINC001231997704 1035032046 /nfs/dbraw/zinc/03/20/46/1035032046.db2.gz FHEXAPDTSLZDCP-QHCPKHFHSA-N 1 3 394.563 3.597 20 0 GHADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)CCCCCCC[NH3+])cc1 ZINC001160955579 1035104457 /nfs/dbraw/zinc/10/44/57/1035104457.db2.gz CEYYLJPDLCAGPF-NRFANRHFSA-N 1 3 389.584 3.807 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941571 1035109177 /nfs/dbraw/zinc/10/91/77/1035109177.db2.gz LXTNWIXOBIOWCY-VSKRKVRLSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941571 1035109182 /nfs/dbraw/zinc/10/91/82/1035109182.db2.gz LXTNWIXOBIOWCY-VSKRKVRLSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208945072 1035114799 /nfs/dbraw/zinc/11/47/99/1035114799.db2.gz YMPHRLDRKQGXEP-YZUZCNPQSA-N 1 3 399.579 3.888 20 0 GHADHO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208945072 1035114803 /nfs/dbraw/zinc/11/48/03/1035114803.db2.gz YMPHRLDRKQGXEP-YZUZCNPQSA-N 1 3 399.579 3.888 20 0 GHADHO COC(=O)C[C@H](C)N(Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208958088 1035128899 /nfs/dbraw/zinc/12/88/99/1035128899.db2.gz OAMXWDTWEVOABE-REWPJTCUSA-N 1 3 380.532 3.962 20 0 GHADHO COC(=O)C[C@H](C)N(Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208958088 1035128904 /nfs/dbraw/zinc/12/89/04/1035128904.db2.gz OAMXWDTWEVOABE-REWPJTCUSA-N 1 3 380.532 3.962 20 0 GHADHO Cn1cc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(C2CC2)n1 ZINC001232169793 1035142619 /nfs/dbraw/zinc/14/26/19/1035142619.db2.gz SXOBUCHPHKZBGJ-UHFFFAOYSA-N 1 3 379.552 3.569 20 0 GHADHO Cn1cc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(C2CC2)n1 ZINC001232169793 1035142623 /nfs/dbraw/zinc/14/26/23/1035142623.db2.gz SXOBUCHPHKZBGJ-UHFFFAOYSA-N 1 3 379.552 3.569 20 0 GHADHO C[C@H]1[C@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232013 1035186758 /nfs/dbraw/zinc/18/67/58/1035186758.db2.gz WYAINZVDKWQZAB-IHFIDZABSA-N 1 3 391.559 3.695 20 0 GHADHO C[C@H]1[C@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232013 1035186761 /nfs/dbraw/zinc/18/67/61/1035186761.db2.gz WYAINZVDKWQZAB-IHFIDZABSA-N 1 3 391.559 3.695 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001209451075 1035277343 /nfs/dbraw/zinc/27/73/43/1035277343.db2.gz ZKUQILURBFGHTF-NQIIRXRSSA-N 1 3 383.552 3.533 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001209451075 1035277348 /nfs/dbraw/zinc/27/73/48/1035277348.db2.gz ZKUQILURBFGHTF-NQIIRXRSSA-N 1 3 383.552 3.533 20 0 GHADHO Cn1nc2ccccc2c1CN1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001209531368 1035305891 /nfs/dbraw/zinc/30/58/91/1035305891.db2.gz GOUXDTPCDOWEOE-UHFFFAOYSA-N 1 3 389.547 3.845 20 0 GHADHO Cn1nc2ccccc2c1CN1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001209531368 1035305900 /nfs/dbraw/zinc/30/59/00/1035305900.db2.gz GOUXDTPCDOWEOE-UHFFFAOYSA-N 1 3 389.547 3.845 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1(C)C ZINC001462148076 1070034380 /nfs/dbraw/zinc/03/43/80/1070034380.db2.gz MUXPVXJITZETJN-VQIMIIECSA-N 1 3 383.502 3.746 20 0 GHADHO CC(C)C[C@@H]([NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001245997916 1037119138 /nfs/dbraw/zinc/11/91/38/1037119138.db2.gz ZPWUOWOQRCOFIY-PWRODBHTSA-N 1 3 380.454 3.712 20 0 GHADHO Fc1cccc(CN2CCC([NH2+][C@@H]3CCN[C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246174893 1037224623 /nfs/dbraw/zinc/22/46/23/1037224623.db2.gz KDHMAJJEJWVXEB-DNQXCXABSA-N 1 3 381.539 3.743 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](NCCC(=O)N2CCCc3ccccc32)CC[NH2+]1 ZINC001246278222 1037273175 /nfs/dbraw/zinc/27/31/75/1037273175.db2.gz LGBWLHWWFQZKCR-UNMCSNQZSA-N 1 3 395.522 3.886 20 0 GHADHO CCOC(=O)CC1(N[C@H](C)CC(C)(C)SCc2ccco2)CC[NH2+]CC1 ZINC001246325450 1037296195 /nfs/dbraw/zinc/29/61/95/1037296195.db2.gz KDCAOJYCCCFPSR-MRXNPFEDSA-N 1 3 382.570 3.735 20 0 GHADHO CCOC(=O)CC1([NH2+][C@H](C)CC(C)(C)SCc2ccco2)CCNCC1 ZINC001246325450 1037296207 /nfs/dbraw/zinc/29/62/07/1037296207.db2.gz KDCAOJYCCCFPSR-MRXNPFEDSA-N 1 3 382.570 3.735 20 0 GHADHO Fc1ccc(C2([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c4C3)CCNCC2)cc1 ZINC001246337544 1037301828 /nfs/dbraw/zinc/30/18/28/1037301828.db2.gz UBOHRAOMSHRIAB-MRXNPFEDSA-N 1 3 378.413 3.969 20 0 GHADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356826 1037315694 /nfs/dbraw/zinc/31/56/94/1037315694.db2.gz WJPWHGPKKFIFTF-OXJNMPFZSA-N 1 3 383.502 3.825 20 0 GHADHO COc1cccc(CC2([NH2+][C@@H]3CCc4cc(F)cc(F)c4C3)CCNCC2)c1 ZINC001246378491 1037336852 /nfs/dbraw/zinc/33/68/52/1037336852.db2.gz RIWJOTKJKKVSIJ-LJQANCHMSA-N 1 3 386.486 3.785 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)CC1 ZINC001246379756 1037338664 /nfs/dbraw/zinc/33/86/64/1037338664.db2.gz CDJBCOMZWLIEAE-FUHWJXTLSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H](NC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)C1 ZINC001246431028 1037391582 /nfs/dbraw/zinc/39/15/82/1037391582.db2.gz XRRVUKHRFGGEMH-PKOBYXMFSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246431028 1037391593 /nfs/dbraw/zinc/39/15/93/1037391593.db2.gz XRRVUKHRFGGEMH-PKOBYXMFSA-N 1 3 378.944 3.716 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN[C@H](Cc3ccccc3)C1)CCC2 ZINC001246496926 1037441546 /nfs/dbraw/zinc/44/15/46/1037441546.db2.gz DMSHGNMDDCOZNY-XPNTWCBSSA-N 1 3 378.516 3.804 20 0 GHADHO C[N@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246595359 1037492639 /nfs/dbraw/zinc/49/26/39/1037492639.db2.gz NCYGJVGPTKUXJA-NOZRDPDXSA-N 1 3 377.576 3.946 20 0 GHADHO C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246595359 1037492665 /nfs/dbraw/zinc/49/26/65/1037492665.db2.gz NCYGJVGPTKUXJA-NOZRDPDXSA-N 1 3 377.576 3.946 20 0 GHADHO C[N@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246595363 1037496455 /nfs/dbraw/zinc/49/64/55/1037496455.db2.gz NCYGJVGPTKUXJA-ZCYQVOJMSA-N 1 3 377.576 3.946 20 0 GHADHO C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246595363 1037496479 /nfs/dbraw/zinc/49/64/79/1037496479.db2.gz NCYGJVGPTKUXJA-ZCYQVOJMSA-N 1 3 377.576 3.946 20 0 GHADHO CCOC(=O)CC[C@@H](C)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617822 1037506570 /nfs/dbraw/zinc/50/65/70/1037506570.db2.gz GWUWRWKVRWLAOV-CTNGQTDRSA-N 1 3 388.552 3.522 20 0 GHADHO CCOC(=O)CC[C@@H](C)[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617822 1037506587 /nfs/dbraw/zinc/50/65/87/1037506587.db2.gz GWUWRWKVRWLAOV-CTNGQTDRSA-N 1 3 388.552 3.522 20 0 GHADHO CCOC(=O)CC[C@@H](C)[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617822 1037506615 /nfs/dbraw/zinc/50/66/15/1037506615.db2.gz GWUWRWKVRWLAOV-CTNGQTDRSA-N 1 3 388.552 3.522 20 0 GHADHO COc1ccc2c(c1)C1(CC[NH2+]CC1)N([C@H]1CCc3cc(F)ccc3C1)CC2 ZINC001246642356 1037523683 /nfs/dbraw/zinc/52/36/83/1037523683.db2.gz VWIZRTREVYLKLE-NRFANRHFSA-N 1 3 380.507 3.829 20 0 GHADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CCN1 ZINC001246664441 1037535005 /nfs/dbraw/zinc/53/50/05/1037535005.db2.gz XJRTXOFINAXXMK-VSYWRSJOSA-N 1 3 379.548 3.672 20 0 GHADHO C[C@H]1C[C@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CCN1 ZINC001246664441 1037535016 /nfs/dbraw/zinc/53/50/16/1037535016.db2.gz XJRTXOFINAXXMK-VSYWRSJOSA-N 1 3 379.548 3.672 20 0 GHADHO C[C@H]1C[C@H](N2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246664441 1037535042 /nfs/dbraw/zinc/53/50/42/1037535042.db2.gz XJRTXOFINAXXMK-VSYWRSJOSA-N 1 3 379.548 3.672 20 0 GHADHO c1ccc(N2CCC([N@@H+]3CC[C@]4(c5ccccc5)CCNC[C@@H]4C3)CC2)cc1 ZINC001246673096 1037541312 /nfs/dbraw/zinc/54/13/12/1037541312.db2.gz OAXZKDILSZZFAH-RDGATRHJSA-N 1 3 375.560 3.909 20 0 GHADHO c1ccc(N2CCC([N@H+]3CC[C@]4(c5ccccc5)CCNC[C@@H]4C3)CC2)cc1 ZINC001246673096 1037541332 /nfs/dbraw/zinc/54/13/32/1037541332.db2.gz OAXZKDILSZZFAH-RDGATRHJSA-N 1 3 375.560 3.909 20 0 GHADHO CC[C@@H]1C[C@H](N2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@H](CC)[NH2+]1 ZINC001246705817 1037558548 /nfs/dbraw/zinc/55/85/48/1037558548.db2.gz BCNHWSQZVACSEE-MDPIYQRISA-N 1 3 389.609 3.985 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CC[NH2+]1 ZINC001246724191 1037574673 /nfs/dbraw/zinc/57/46/73/1037574673.db2.gz USEGMPSFMHIKSI-SRUXOGRHSA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CCN1 ZINC001246724191 1037574682 /nfs/dbraw/zinc/57/46/82/1037574682.db2.gz USEGMPSFMHIKSI-SRUXOGRHSA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CCN1 ZINC001246724191 1037574687 /nfs/dbraw/zinc/57/46/87/1037574687.db2.gz USEGMPSFMHIKSI-SRUXOGRHSA-N 1 3 375.601 3.943 20 0 GHADHO c1ccc(C[C@H]2C[C@@H]([N@@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CCN2)cc1 ZINC001246738005 1037581293 /nfs/dbraw/zinc/58/12/93/1037581293.db2.gz CQKGBBKDXLPQTG-GOTSBHOMSA-N 1 3 398.554 3.908 20 0 GHADHO c1ccc(C[C@H]2C[C@@H]([N@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CCN2)cc1 ZINC001246738005 1037581306 /nfs/dbraw/zinc/58/13/06/1037581306.db2.gz CQKGBBKDXLPQTG-GOTSBHOMSA-N 1 3 398.554 3.908 20 0 GHADHO c1cc(-c2ccc3c(c2)C2(CC3)CC[NH+]([C@@H]3CCOC4(CNC4)C3)CC2)co1 ZINC001246740507 1037583943 /nfs/dbraw/zinc/58/39/43/1037583943.db2.gz MKIGNYSFZSSOCS-OAQYLSRUSA-N 1 3 378.516 3.747 20 0 GHADHO CC[C@@H]1C[C@H](N2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246755239 1037595037 /nfs/dbraw/zinc/59/50/37/1037595037.db2.gz HYVUSDMMGVETEJ-OOSNJVJTSA-N 1 3 375.582 3.795 20 0 GHADHO Cc1cccc(N2CCCN([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853305 1037676993 /nfs/dbraw/zinc/67/69/93/1037676993.db2.gz UUGGUPWBKWPICW-RBBKRZOGSA-N 1 3 382.527 3.843 20 0 GHADHO COc1ccc(Cl)c2c1C[C@H](N1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246870389 1037686429 /nfs/dbraw/zinc/68/64/29/1037686429.db2.gz AMIZKNUFKGVGGX-PNCHPQGNSA-N 1 3 382.935 3.679 20 0 GHADHO Clc1ccnc2[nH]cc(CN3CCC(COCC[NH+]4CCCC4)CC3)c21 ZINC001232456835 1038241795 /nfs/dbraw/zinc/24/17/95/1038241795.db2.gz XDGVJUWUDUSIIX-UHFFFAOYSA-N 1 3 376.932 3.541 20 0 GHADHO CC(C)[NH+]1CCC(CN(C)Cc2cnc3c(Br)cccn23)CC1 ZINC001233471539 1039361353 /nfs/dbraw/zinc/36/13/53/1039361353.db2.gz JJZHKPWQEAFAKW-UHFFFAOYSA-N 1 3 379.346 3.649 20 0 GHADHO Cc1cc(N2CCN(C[C@H](O)C(c3ccccc3)c3ccccc3)CC2)cc[nH+]1 ZINC001253926847 1039907301 /nfs/dbraw/zinc/90/73/01/1039907301.db2.gz CFFXOJYAVNUFTB-DEOSSOPVSA-N 1 3 387.527 3.705 20 0 GHADHO OC1(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038636 1039969105 /nfs/dbraw/zinc/96/91/05/1039969105.db2.gz LNAKKEFVJWPMFY-JOCHJYFZSA-N 1 3 397.588 3.665 20 0 GHADHO OC1(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038636 1039969113 /nfs/dbraw/zinc/96/91/13/1039969113.db2.gz LNAKKEFVJWPMFY-JOCHJYFZSA-N 1 3 397.588 3.665 20 0 GHADHO CCOc1cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc(Br)c1[O-] ZINC001235152187 1040646136 /nfs/dbraw/zinc/64/61/36/1040646136.db2.gz DKSRZZAKICAPID-KRWDZBQOSA-N 1 3 397.357 3.908 20 0 GHADHO CCOc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc(Br)c1[O-] ZINC001235152187 1040646148 /nfs/dbraw/zinc/64/61/48/1040646148.db2.gz DKSRZZAKICAPID-KRWDZBQOSA-N 1 3 397.357 3.908 20 0 GHADHO Brc1ccc2[nH]c(CN3CCCC[C@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235158029 1040651710 /nfs/dbraw/zinc/65/17/10/1040651710.db2.gz TYEKUHBFPGVTKK-KRWDZBQOSA-N 1 3 377.330 3.680 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255022232 1040734448 /nfs/dbraw/zinc/73/44/48/1040734448.db2.gz FBCZDKJMWVMANT-DEOSSOPVSA-N 1 3 376.544 3.909 20 0 GHADHO COc1cc(CN2CCC(C3C[NH2+]C3)CC2)cc(OCc2ccccc2)c1OC ZINC001235340941 1040809857 /nfs/dbraw/zinc/80/98/57/1040809857.db2.gz WDKSGICCXRIVPO-UHFFFAOYSA-N 1 3 396.531 3.714 20 0 GHADHO O=C1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1Cc1ccccc1 ZINC001255125248 1040818433 /nfs/dbraw/zinc/81/84/33/1040818433.db2.gz UQWPSNXBQXQCHC-NEWJYFPISA-N 1 3 389.543 3.573 20 0 GHADHO O=C(c1ccccc1)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255132628 1040829392 /nfs/dbraw/zinc/82/93/92/1040829392.db2.gz VDHYEFKGJWBBSV-JLLPCOHGSA-N 1 3 389.543 3.686 20 0 GHADHO O=C(c1ccccc1)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255132628 1040829411 /nfs/dbraw/zinc/82/94/11/1040829411.db2.gz VDHYEFKGJWBBSV-JLLPCOHGSA-N 1 3 389.543 3.686 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235364091 1040851203 /nfs/dbraw/zinc/85/12/03/1040851203.db2.gz KYLZIRRJZRROEI-QVHJCDIPSA-N 1 3 384.564 3.609 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235364091 1040851227 /nfs/dbraw/zinc/85/12/27/1040851227.db2.gz KYLZIRRJZRROEI-QVHJCDIPSA-N 1 3 384.564 3.609 20 0 GHADHO Cn1c2ccccc2c(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1-c1ccccc1 ZINC001235370680 1040872835 /nfs/dbraw/zinc/87/28/35/1040872835.db2.gz VXCZEHPBZGNBDE-UMEGOILYSA-N 1 3 387.527 3.798 20 0 GHADHO Cc1ccc(I)cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428143 1040929755 /nfs/dbraw/zinc/92/97/55/1040929755.db2.gz PACUPKKDSOSQMH-CVEARBPZSA-N 1 3 398.332 3.811 20 0 GHADHO COc1cccnc1O[C@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255410200 1040999988 /nfs/dbraw/zinc/99/99/88/1040999988.db2.gz RIKDIINQEBCMIV-VXKWHMMOSA-N 1 3 395.547 3.988 20 0 GHADHO COc1cccnc1O[C@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255410200 1040999994 /nfs/dbraw/zinc/99/99/94/1040999994.db2.gz RIKDIINQEBCMIV-VXKWHMMOSA-N 1 3 395.547 3.988 20 0 GHADHO c1nc2n(c1CN1CCC(c3ccccc3)(c3ccccc3)CC1)CC[NH2+]CC2 ZINC001235663547 1041117523 /nfs/dbraw/zinc/11/75/23/1041117523.db2.gz IJVBNACRSVHBDG-UHFFFAOYSA-N 1 3 386.543 3.611 20 0 GHADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235768141 1041261339 /nfs/dbraw/zinc/26/13/39/1041261339.db2.gz GOWOKSKQVLBQHH-XZOQPEGZSA-N 1 3 397.538 3.615 20 0 GHADHO Fc1c(CN2CCCCC2)cccc1-c1cncc(OCC[NH+]2CCCC2)n1 ZINC001236005430 1041496787 /nfs/dbraw/zinc/49/67/87/1041496787.db2.gz QQGPHAYRAIOMAN-UHFFFAOYSA-N 1 3 384.499 3.743 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@]2(CCN(C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256075461 1041509804 /nfs/dbraw/zinc/50/98/04/1041509804.db2.gz LNQVVINIDMACAU-HXUWFJFHSA-N 1 3 399.526 3.581 20 0 GHADHO CN(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220087 1041628742 /nfs/dbraw/zinc/62/87/42/1041628742.db2.gz YIELPWOUXSXBFD-UKILVPOCSA-N 1 3 392.591 3.711 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236235901 1041636663 /nfs/dbraw/zinc/63/66/63/1041636663.db2.gz GHYJVXQJDYLODA-BVSLBCMMSA-N 1 3 399.579 3.571 20 0 GHADHO CCOC(=O)N1CCC(N2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256247649 1041674217 /nfs/dbraw/zinc/67/42/17/1041674217.db2.gz YJJHVFHRCSXHDK-QHCPKHFHSA-N 1 3 385.552 3.595 20 0 GHADHO CCOC(=O)N1CCC(N2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256247649 1041674223 /nfs/dbraw/zinc/67/42/23/1041674223.db2.gz YJJHVFHRCSXHDK-QHCPKHFHSA-N 1 3 385.552 3.595 20 0 GHADHO C[C@@H](Cc1ccccn1)[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001256413802 1041723749 /nfs/dbraw/zinc/72/37/49/1041723749.db2.gz BSQJJQWMFMQAOF-NZQKXSOJSA-N 1 3 379.548 3.768 20 0 GHADHO CSc1nc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc(C2C[NH2+]C2)n1 ZINC001236471671 1041731265 /nfs/dbraw/zinc/73/12/65/1041731265.db2.gz HQKZKJWAWWKVNF-MOPGFXCFSA-N 1 3 378.545 3.706 20 0 GHADHO COc1nc(OC)c(CN(Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236559898 1041763499 /nfs/dbraw/zinc/76/34/99/1041763499.db2.gz HEUGGVFWHVNOSR-MEMLXQNLSA-N 1 3 383.536 3.988 20 0 GHADHO Cc1cccc(CN(Cc2cnc3ccc(Cl)nn23)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729076 1041861760 /nfs/dbraw/zinc/86/17/60/1041861760.db2.gz LPYPPTNMDFGBFA-IYARVYRRSA-N 1 3 383.927 3.963 20 0 GHADHO CCOC(=O)Cc1ccc(C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)cc1 ZINC001237475928 1042225472 /nfs/dbraw/zinc/22/54/72/1042225472.db2.gz HWWZNLNUJVGELB-UHFFFAOYSA-N 1 3 396.531 3.873 20 0 GHADHO COCCN(Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)C1CC[NH+](C)CC1 ZINC001237818709 1042385245 /nfs/dbraw/zinc/38/52/45/1042385245.db2.gz YLQCYLUDZYWYFL-UHFFFAOYSA-N 1 3 396.531 3.683 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@H](C(=O)N4CCCCC4)C3)cc21 ZINC001237880919 1042407511 /nfs/dbraw/zinc/40/75/11/1042407511.db2.gz LMJHWIGWDDOGOR-NRFANRHFSA-N 1 3 381.564 3.912 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCCCC4)C3)cc21 ZINC001237880919 1042407512 /nfs/dbraw/zinc/40/75/12/1042407512.db2.gz LMJHWIGWDDOGOR-NRFANRHFSA-N 1 3 381.564 3.912 20 0 GHADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001462633275 1070430099 /nfs/dbraw/zinc/43/00/99/1070430099.db2.gz GUNAJIYXHMBWBS-WTIAFYNJSA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001462633275 1070430107 /nfs/dbraw/zinc/43/01/07/1070430107.db2.gz GUNAJIYXHMBWBS-WTIAFYNJSA-N 1 3 380.532 3.804 20 0 GHADHO CCOc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc(C(F)(F)F)c1 ZINC001238499395 1042620708 /nfs/dbraw/zinc/62/07/08/1042620708.db2.gz PKZNVIINHHIWJR-UHFFFAOYSA-N 1 3 399.501 3.564 20 0 GHADHO CC[C@@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001291627568 1043362695 /nfs/dbraw/zinc/36/26/95/1043362695.db2.gz DLWDYRCGIJUHOV-HXUWFJFHSA-N 1 3 392.636 3.688 20 0 GHADHO COC(=O)CCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256529727 1043461775 /nfs/dbraw/zinc/46/17/75/1043461775.db2.gz WLOMDIXUXATYDJ-AUSIDOKSSA-N 1 3 380.532 3.935 20 0 GHADHO COC(=O)CCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256529727 1043461780 /nfs/dbraw/zinc/46/17/80/1043461780.db2.gz WLOMDIXUXATYDJ-AUSIDOKSSA-N 1 3 380.532 3.935 20 0 GHADHO C[C@H]1C[C@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 ZINC001256543208 1043500768 /nfs/dbraw/zinc/50/07/68/1043500768.db2.gz RZXSAYATGGWPKL-PZJWPPBQSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C[NH2+]C3CCN(C(C)(C)C)CC3)CC[C@@H]2C1 ZINC001256554558 1043522500 /nfs/dbraw/zinc/52/25/00/1043522500.db2.gz JABVXBLZXCNPFA-YQVWRLOYSA-N 1 3 379.589 3.732 20 0 GHADHO CCOC(=O)CCc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256600396 1043564423 /nfs/dbraw/zinc/56/44/23/1043564423.db2.gz FVNWUZOFMFBURO-UHFFFAOYSA-N 1 3 380.532 3.937 20 0 GHADHO FC(F)(F)c1cnccc1[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256687195 1043622492 /nfs/dbraw/zinc/62/24/92/1043622492.db2.gz PMSPLJLVGXPAOP-RJYAGPCLSA-N 1 3 383.458 3.785 20 0 GHADHO C[C@@H]1CC([NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C[C@@H](C)O1 ZINC001257091681 1043839697 /nfs/dbraw/zinc/83/96/97/1043839697.db2.gz GCEWHWYJOOFIMF-LMMKCTJWSA-N 1 3 378.582 3.759 20 0 GHADHO CC1CCC(N2CCN(C(=O)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)CC2)CC1 ZINC001293495886 1044213981 /nfs/dbraw/zinc/21/39/81/1044213981.db2.gz MTICXOWKIPOODV-SHSGKGFPSA-N 1 3 397.607 3.664 20 0 GHADHO CC1CCC(N2CCN(C(=O)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)CC1 ZINC001293495886 1044213985 /nfs/dbraw/zinc/21/39/85/1044213985.db2.gz MTICXOWKIPOODV-SHSGKGFPSA-N 1 3 397.607 3.664 20 0 GHADHO COC(=O)C1CCC(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001257869153 1044230263 /nfs/dbraw/zinc/23/02/63/1044230263.db2.gz XHPQRCGFQNUTQQ-UHFFFAOYSA-N 1 3 398.469 3.991 20 0 GHADHO COC(=O)C1CCC(N2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001257869130 1044230391 /nfs/dbraw/zinc/23/03/91/1044230391.db2.gz WPJLKSAPYFUCJB-UHFFFAOYSA-N 1 3 398.469 3.991 20 0 GHADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1ccc(-c3cccs3)s1)C2 ZINC001279055522 1044241978 /nfs/dbraw/zinc/24/19/78/1044241978.db2.gz OCSFJDJBZYNJFD-UHFFFAOYSA-N 1 3 375.607 3.936 20 0 GHADHO CCn1c2ccccc2nc1N1CCC[C@H]([NH2+]C2CCN(CC(C)C)CC2)C1 ZINC001258007616 1044334105 /nfs/dbraw/zinc/33/41/05/1044334105.db2.gz JVBHNCHRPKXPOY-FQEVSTJZSA-N 1 3 383.584 3.735 20 0 GHADHO CCn1c2ccccc2nc1N1CCC[C@H](NC2CC[NH+](CC(C)C)CC2)C1 ZINC001258007616 1044334114 /nfs/dbraw/zinc/33/41/14/1044334114.db2.gz JVBHNCHRPKXPOY-FQEVSTJZSA-N 1 3 383.584 3.735 20 0 GHADHO CC(C)CN1CCC([NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)CC1 ZINC001258015540 1044340901 /nfs/dbraw/zinc/34/09/01/1044340901.db2.gz VNKCBBZDLGTJFC-JOCHJYFZSA-N 1 3 383.580 3.587 20 0 GHADHO CC(C)CN1CCC([N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001258016974 1044343881 /nfs/dbraw/zinc/34/38/81/1044343881.db2.gz PFFDKYSDEMTLPA-ZVDOUQERSA-N 1 3 377.617 3.902 20 0 GHADHO CC(C)CN1CCC([N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001258016974 1044343895 /nfs/dbraw/zinc/34/38/95/1044343895.db2.gz PFFDKYSDEMTLPA-ZVDOUQERSA-N 1 3 377.617 3.902 20 0 GHADHO CCOC(=O)CC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001258024551 1044349721 /nfs/dbraw/zinc/34/97/21/1044349721.db2.gz ZQRTXEOCOZBQCA-CAYSGGIESA-N 1 3 384.564 3.999 20 0 GHADHO C[N@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCN(CCc2ccccc2)CC1 ZINC001258140922 1044427380 /nfs/dbraw/zinc/42/73/80/1044427380.db2.gz ONNJULYAFBNJCP-RUZDIDTESA-N 1 3 377.576 3.900 20 0 GHADHO C[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCN(CCc2ccccc2)CC1 ZINC001258140922 1044427381 /nfs/dbraw/zinc/42/73/81/1044427381.db2.gz ONNJULYAFBNJCP-RUZDIDTESA-N 1 3 377.576 3.900 20 0 GHADHO COc1cc(C[C@H](C)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC001258855773 1044795894 /nfs/dbraw/zinc/79/58/94/1044795894.db2.gz QZBDKPLLORASEA-KURKYZTESA-N 1 3 378.557 3.601 20 0 GHADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3cncc(Cl)c3)C[C@H]2CC1 ZINC001279640733 1047884494 /nfs/dbraw/zinc/88/44/94/1047884494.db2.gz YYMMGGSUTNQSAQ-CALCHBBNSA-N 1 3 376.957 3.844 20 0 GHADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3cncc(Cl)c3)C[C@H]2CC1 ZINC001279640733 1047884510 /nfs/dbraw/zinc/88/45/10/1047884510.db2.gz YYMMGGSUTNQSAQ-CALCHBBNSA-N 1 3 376.957 3.844 20 0 GHADHO COCCOCN1CCC2(C1)CC[NH+](Cc1csc(C(F)(F)F)c1)CC2 ZINC001279712301 1047930947 /nfs/dbraw/zinc/93/09/47/1047930947.db2.gz XGZPBJHFRYCCPO-UHFFFAOYSA-N 1 3 392.487 3.675 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)N(CC(C)C)CC2CC[NH+](C)CC2)cc1 ZINC001306888856 1048946153 /nfs/dbraw/zinc/94/61/53/1048946153.db2.gz SKWZVXNOXIREOD-JOCHJYFZSA-N 1 3 389.584 3.561 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]12CN(CCC[NH+]3CCCCC3)C[C@H]1CCCC2 ZINC001308172132 1049899782 /nfs/dbraw/zinc/89/97/82/1049899782.db2.gz CMZHTOWCPJVOSY-KNQAVFIVSA-N 1 3 379.589 3.879 20 0 GHADHO CC1CCN([C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]CC3)c2cccs2)CC1 ZINC001332495203 1051532584 /nfs/dbraw/zinc/53/25/84/1051532584.db2.gz ZXHLVOGKYOLXSY-FQEVSTJZSA-N 1 3 383.561 3.597 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@H](O)c1ccc(F)c(F)c1)c1ccccc1O2 ZINC001335345206 1052079178 /nfs/dbraw/zinc/07/91/78/1052079178.db2.gz JKCJLGIAQNJZAD-UXHICEINSA-N 1 3 388.458 3.576 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)N(C)C)cc1 ZINC001311572391 1052254818 /nfs/dbraw/zinc/25/48/18/1052254818.db2.gz RZPULRMMNSUSQQ-GOTSBHOMSA-N 1 3 396.579 3.762 20 0 GHADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCN(C2CCCCC2)CC1 ZINC001311594407 1052271608 /nfs/dbraw/zinc/27/16/08/1052271608.db2.gz HFEMNGLPBBZVHQ-UHFFFAOYSA-N 1 3 398.595 3.832 20 0 GHADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001311765650 1052383477 /nfs/dbraw/zinc/38/34/77/1052383477.db2.gz NQZYMMVAMIBAJC-QFIPXVFZSA-N 1 3 386.584 3.649 20 0 GHADHO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001312649057 1052826165 /nfs/dbraw/zinc/82/61/65/1052826165.db2.gz TWGQJFZJYMJMGE-GOTSBHOMSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001312649057 1052826170 /nfs/dbraw/zinc/82/61/70/1052826170.db2.gz TWGQJFZJYMJMGE-GOTSBHOMSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001312798615 1052874467 /nfs/dbraw/zinc/87/44/67/1052874467.db2.gz VFHQWAASSYBTRU-HXUWFJFHSA-N 1 3 388.600 3.851 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH+]2CCCC2)N(C)C)cc1 ZINC001312818745 1052881619 /nfs/dbraw/zinc/88/16/19/1052881619.db2.gz OHKXCOLBRIYOPW-OAQYLSRUSA-N 1 3 388.600 3.661 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1)CC(C)C ZINC001313116636 1052961210 /nfs/dbraw/zinc/96/12/10/1052961210.db2.gz KEOANDTYCVVJDR-QFIPXVFZSA-N 1 3 392.632 3.793 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1)CC(C)C ZINC001313116636 1052961211 /nfs/dbraw/zinc/96/12/11/1052961211.db2.gz KEOANDTYCVVJDR-QFIPXVFZSA-N 1 3 392.632 3.793 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(C)([NH+]4CCCCC4)CC3)C2)cc1 ZINC001313187809 1052981248 /nfs/dbraw/zinc/98/12/48/1052981248.db2.gz YWPFCOJRIGXPNC-QFIPXVFZSA-N 1 3 398.595 3.619 20 0 GHADHO CCCN(C(=O)c1cc2c(s1)CNCC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001345466086 1055051418 /nfs/dbraw/zinc/05/14/18/1055051418.db2.gz JUAXWMILRPSHSA-UHFFFAOYSA-N 1 3 397.588 3.911 20 0 GHADHO CC[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc2c(c1)CCO2 ZINC001319190145 1055088594 /nfs/dbraw/zinc/08/85/94/1055088594.db2.gz MULQCMWYLLSLIZ-HSZRJFAPSA-N 1 3 379.548 3.610 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC([C@@H]3c4ccccc4NC3=O)CC2)cc1 ZINC001319701725 1055408246 /nfs/dbraw/zinc/40/82/46/1055408246.db2.gz JQTOMSQRHAEUED-HSZRJFAPSA-N 1 3 393.531 3.575 20 0 GHADHO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001320578958 1055891758 /nfs/dbraw/zinc/89/17/58/1055891758.db2.gz YZIUAVQMSXFYLM-SFHVURJKSA-N 1 3 399.966 3.886 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324077028 1057066200 /nfs/dbraw/zinc/06/62/00/1057066200.db2.gz RJYIVCSBHTZPQM-FRIKZZABSA-N 1 3 386.584 3.554 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324077028 1057066208 /nfs/dbraw/zinc/06/62/08/1057066208.db2.gz RJYIVCSBHTZPQM-FRIKZZABSA-N 1 3 386.584 3.554 20 0 GHADHO COC(=O)/C=C/c1ccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000848914897 1057417580 /nfs/dbraw/zinc/41/75/80/1057417580.db2.gz UPWKDIXNDISBNZ-MDZDMXLPSA-N 1 3 394.515 3.954 20 0 GHADHO [NH2+]=C(NCCC1Cc2ccccc2C1)NC1CCN(Cc2ccccc2)CC1 ZINC000848992888 1057496663 /nfs/dbraw/zinc/49/66/63/1057496663.db2.gz BHCSUMWJACDTDC-UHFFFAOYSA-N 1 3 376.548 3.570 20 0 GHADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000849002976 1057511512 /nfs/dbraw/zinc/51/15/12/1057511512.db2.gz PEGWDVZZEQHLCD-OAHLLOKOSA-N 1 3 377.945 3.562 20 0 GHADHO [NH2+]=C(NCc1ccc(OC(F)F)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849054636 1057563789 /nfs/dbraw/zinc/56/37/89/1057563789.db2.gz NOZWRWNEKYOCHY-UHFFFAOYSA-N 1 3 388.462 3.567 20 0 GHADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000849088274 1057588934 /nfs/dbraw/zinc/58/89/34/1057588934.db2.gz CBVZLVRYECLBNM-MSOLQXFVSA-N 1 3 397.592 3.514 20 0 GHADHO CN(C)[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586825 1058540401 /nfs/dbraw/zinc/54/04/01/1058540401.db2.gz JWIKOFOLGHIKRX-DHIUTWEWSA-N 1 3 391.559 3.708 20 0 GHADHO CN(C)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586825 1058540423 /nfs/dbraw/zinc/54/04/23/1058540423.db2.gz JWIKOFOLGHIKRX-DHIUTWEWSA-N 1 3 391.559 3.708 20 0 GHADHO CN(C(=O)CCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC001338408284 1058552127 /nfs/dbraw/zinc/55/21/27/1058552127.db2.gz NUOASYVOKIBUCP-NRFANRHFSA-N 1 3 393.531 3.617 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCCN2Cc2cccc(C)c2)CC1 ZINC001339175642 1058993733 /nfs/dbraw/zinc/99/37/33/1058993733.db2.gz XVOHJLUETQAYEM-HSZRJFAPSA-N 1 3 385.596 3.930 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3ccccc3N3CCN(C)CC3)CC2)C1 ZINC001340530633 1059966317 /nfs/dbraw/zinc/96/63/17/1059966317.db2.gz YZQMERDCGJYPTN-NFBKMPQASA-N 1 3 384.612 3.571 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905722 1064265270 /nfs/dbraw/zinc/26/52/70/1064265270.db2.gz LPYAZWMUPSFIRC-UPVQGACJSA-N 1 3 379.548 3.503 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905722 1064265272 /nfs/dbraw/zinc/26/52/72/1064265272.db2.gz LPYAZWMUPSFIRC-UPVQGACJSA-N 1 3 379.548 3.503 20 0 GHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(Cl)cc1 ZINC000847331563 1065072215 /nfs/dbraw/zinc/07/22/15/1065072215.db2.gz KMHWIWBFLOGEMI-UHFFFAOYSA-N 1 3 377.960 3.889 20 0 GHADHO Cc1ccc([C@H](CNC(=O)c2cccc(CC[NH+](C)C)c2)N2CCCC2)cc1 ZINC001464594109 1065100850 /nfs/dbraw/zinc/10/08/50/1065100850.db2.gz GGFNZLXKXLUFKA-QHCPKHFHSA-N 1 3 379.548 3.666 20 0 GHADHO CN(CC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1)C1CCC1 ZINC001465503533 1065672256 /nfs/dbraw/zinc/67/22/56/1065672256.db2.gz DKDIWIYHASMPDY-UHFFFAOYSA-N 1 3 379.548 3.632 20 0 GHADHO CN(CC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)C1CCC1 ZINC001465503533 1065672265 /nfs/dbraw/zinc/67/22/65/1065672265.db2.gz DKDIWIYHASMPDY-UHFFFAOYSA-N 1 3 379.548 3.632 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)CC[NH+]2CCCCC2)c2cccs2)CC1 ZINC001468008981 1067562874 /nfs/dbraw/zinc/56/28/74/1067562874.db2.gz IGMZALASVYUYOZ-LJQANCHMSA-N 1 3 392.613 3.648 20 0 GHADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC001468177192 1067621819 /nfs/dbraw/zinc/62/18/19/1067621819.db2.gz VRVDMWORWVXHGS-YMPZKCBVSA-N 1 3 398.595 3.728 20 0 GHADHO CN(CCCC[NH+]1CCCCC1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001460688161 1069086827 /nfs/dbraw/zinc/08/68/27/1069086827.db2.gz FZWAIKNUDJAFQJ-UHFFFAOYSA-N 1 3 383.536 3.908 20 0 GHADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001470416914 1072540115 /nfs/dbraw/zinc/54/01/15/1072540115.db2.gz YJJZAUWSKHDOFM-VXKWHMMOSA-N 1 3 388.600 3.614 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC001478958050 1079039634 /nfs/dbraw/zinc/03/96/34/1079039634.db2.gz YSHRLEAHZVCFQS-KRWDZBQOSA-N 1 3 394.991 3.501 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC001478958050 1079039642 /nfs/dbraw/zinc/03/96/42/1079039642.db2.gz YSHRLEAHZVCFQS-KRWDZBQOSA-N 1 3 394.991 3.501 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC001473936421 1074211434 /nfs/dbraw/zinc/21/14/34/1074211434.db2.gz UOVMIVNLDKGJAO-UHFFFAOYSA-N 1 3 377.576 3.993 20 0 GHADHO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001474387405 1074379202 /nfs/dbraw/zinc/37/92/02/1074379202.db2.gz PNGCABRLDLEIFU-VQSBLYBRSA-N 1 3 399.579 3.932 20 0 GHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000647544561 837466936 /nfs/dbraw/zinc/46/69/36/837466936.db2.gz WUABKVHYJLSWOS-KDURUIRLSA-N 1 3 376.504 3.872 20 0 GHADHO CCN(CC)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655684322 837666877 /nfs/dbraw/zinc/66/68/77/837666877.db2.gz OAAVVVXGFPAUHB-KNQAVFIVSA-N 1 3 394.003 3.956 20 0 GHADHO COc1ccc(Cc2nc(C)c([C@H](C)N[C@@H]3CCC[C@@H]([NH3+])C3)s2)cc1OC ZINC000423374977 837722174 /nfs/dbraw/zinc/72/21/74/837722174.db2.gz ILYLNBUOZCWRLK-IAOVAPTHSA-N 1 3 389.565 3.980 20 0 GHADHO C[C@H](NC1(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CCCC1)c1ccccc1 ZINC000655725977 837753614 /nfs/dbraw/zinc/75/36/14/837753614.db2.gz OSZCHESSXKXARO-NZQKXSOJSA-N 1 3 385.596 3.883 20 0 GHADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000557262742 834371787 /nfs/dbraw/zinc/37/17/87/834371787.db2.gz WENJRHQKOAUCCI-DYESRHJHSA-N 1 3 385.939 3.713 20 0 GHADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000557262742 834371797 /nfs/dbraw/zinc/37/17/97/834371797.db2.gz WENJRHQKOAUCCI-DYESRHJHSA-N 1 3 385.939 3.713 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cc(Cl)ccc3OCC3CC3)C2)C1 ZINC000650707982 834547701 /nfs/dbraw/zinc/54/77/01/834547701.db2.gz RCJXEHVJGDXJDZ-BSIFCXSSSA-N 1 3 378.944 3.847 20 0 GHADHO c1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n(-c2ccncc2)n1 ZINC000657772971 834725706 /nfs/dbraw/zinc/72/57/06/834725706.db2.gz PDNKYTPAXZCTEP-OAQYLSRUSA-N 1 3 387.531 3.659 20 0 GHADHO c1cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n(-c2ccncc2)n1 ZINC000657772971 834725714 /nfs/dbraw/zinc/72/57/14/834725714.db2.gz PDNKYTPAXZCTEP-OAQYLSRUSA-N 1 3 387.531 3.659 20 0 GHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000650756482 835054239 /nfs/dbraw/zinc/05/42/39/835054239.db2.gz BTECPQTUXLSDPU-FCHUYYIVSA-N 1 3 386.561 3.589 20 0 GHADHO Cc1cc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)c(C(C)C)cc1Cl ZINC000583866707 835174097 /nfs/dbraw/zinc/17/40/97/835174097.db2.gz DSGMDPQOMDPSKM-GOSISDBHSA-N 1 3 380.960 3.728 20 0 GHADHO c1ccc(CN2CCC[C@@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000658168047 835482325 /nfs/dbraw/zinc/48/23/25/835482325.db2.gz VFWCUPLLXPAINY-XMMPIXPASA-N 1 3 378.564 3.548 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C3CCC(F)(F)CC3)CC2)CC1 ZINC000655340543 835550736 /nfs/dbraw/zinc/55/07/36/835550736.db2.gz GNLJUXDLNJYULN-INIZCTEOSA-N 1 3 385.543 3.513 20 0 GHADHO CSC1(CN[C@@H]2CCc3c2c(Br)ccc3F)CC[NH+](C)CC1 ZINC000584119703 835659236 /nfs/dbraw/zinc/65/92/36/835659236.db2.gz BDHFVSCUJKRJPL-OAHLLOKOSA-N 1 3 387.362 3.993 20 0 GHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000433381761 844075815 /nfs/dbraw/zinc/07/58/15/844075815.db2.gz LKVCEBNIKLKOOH-PKTZIBPZSA-N 1 3 395.547 3.641 20 0 GHADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000584219898 835769798 /nfs/dbraw/zinc/76/97/98/835769798.db2.gz RVMLGLKCBNONQC-JTHBVZDNSA-N 1 3 382.552 3.714 20 0 GHADHO C[C@H](c1cccc(F)c1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000471224961 836006983 /nfs/dbraw/zinc/00/69/83/836006983.db2.gz XRAOVSDOBSKMAO-LJQANCHMSA-N 1 3 397.538 3.847 20 0 GHADHO CC(C)CC[NH+]1CCC(CNC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000175173028 836683861 /nfs/dbraw/zinc/68/38/61/836683861.db2.gz HFYQZHUZFWYWRK-UHFFFAOYSA-N 1 3 385.552 3.982 20 0 GHADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(Br)c(F)c3)(C1)CCC2 ZINC001279239097 836706319 /nfs/dbraw/zinc/70/63/19/836706319.db2.gz DYHUJMWSCFQKQN-RBUKOAKNSA-N 1 3 398.364 3.674 20 0 GHADHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(OC)c(OC)c1 ZINC000414309988 837034586 /nfs/dbraw/zinc/03/45/86/837034586.db2.gz SLTYSIYCUFCIBW-OAQYLSRUSA-N 1 3 398.547 3.772 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)N(C)C)cc1 ZINC000415895994 838250686 /nfs/dbraw/zinc/25/06/86/838250686.db2.gz NPGBJAQNBGKXLU-JOCHJYFZSA-N 1 3 396.535 3.544 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000415935685 838289061 /nfs/dbraw/zinc/28/90/61/838289061.db2.gz VCTKHWZUTPSCQF-IBGZPJMESA-N 1 3 380.536 3.782 20 0 GHADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Oc2ccccc2)cn1 ZINC000651228257 838292503 /nfs/dbraw/zinc/29/25/03/838292503.db2.gz DRVDWWSRXFSHHO-RTBURBONSA-N 1 3 380.536 3.693 20 0 GHADHO C[NH+](C)CCc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000275693633 838435216 /nfs/dbraw/zinc/43/52/16/838435216.db2.gz RQKLEMBQUCZOSP-UHFFFAOYSA-N 1 3 380.536 3.531 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CNCc3c[nH]nc3-c3ccc(F)cc3)cc2)CC1 ZINC000376714244 838649370 /nfs/dbraw/zinc/64/93/70/838649370.db2.gz CNHRVUJYDLNBGE-UHFFFAOYSA-N 1 3 394.494 3.979 20 0 GHADHO C[NH+](C)[C@H](CC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000416220199 838746332 /nfs/dbraw/zinc/74/63/32/838746332.db2.gz WTRREXYELRGKPZ-CTWPCTMYSA-N 1 3 397.485 3.601 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000377132580 839027631 /nfs/dbraw/zinc/02/76/31/839027631.db2.gz XUPWNNMCZQRVRF-UDIRQSBCSA-N 1 3 384.564 3.605 20 0 GHADHO O=C(CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000580298160 839208732 /nfs/dbraw/zinc/20/87/32/839208732.db2.gz PBBPZOMMJDTCGV-WOJBJXKFSA-N 1 3 381.495 3.608 20 0 GHADHO O=C(CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000580298160 839208737 /nfs/dbraw/zinc/20/87/37/839208737.db2.gz PBBPZOMMJDTCGV-WOJBJXKFSA-N 1 3 381.495 3.608 20 0 GHADHO C[C@H](CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1cccc(Br)c1 ZINC000415114131 839224182 /nfs/dbraw/zinc/22/41/82/839224182.db2.gz VIENNTVWWWQFAZ-ZMYBRWDISA-N 1 3 381.358 3.771 20 0 GHADHO CCOc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OCC(C)C ZINC000415123294 839243463 /nfs/dbraw/zinc/24/34/63/839243463.db2.gz JISHJESCCGQXBS-NFBKMPQASA-N 1 3 390.568 3.838 20 0 GHADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000622751915 839421756 /nfs/dbraw/zinc/42/17/56/839421756.db2.gz PIQZZIGGZQVTFB-CTNGQTDRSA-N 1 3 387.543 3.561 20 0 GHADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000622751915 839421763 /nfs/dbraw/zinc/42/17/63/839421763.db2.gz PIQZZIGGZQVTFB-CTNGQTDRSA-N 1 3 387.543 3.561 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C(C)(F)F)cc3)CC2)CC1 ZINC000580569855 839824220 /nfs/dbraw/zinc/82/42/20/839824220.db2.gz HMNSZRFXXVMPEP-UHFFFAOYSA-N 1 3 393.522 3.611 20 0 GHADHO CSc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000417277655 840663669 /nfs/dbraw/zinc/66/36/69/840663669.db2.gz IRZGTFXRWYNNAT-UHFFFAOYSA-N 1 3 396.988 3.742 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000417352481 840770739 /nfs/dbraw/zinc/77/07/39/840770739.db2.gz GKLFCINMLDMIRN-ZLNRFVROSA-N 1 3 398.595 3.696 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000418188798 841625220 /nfs/dbraw/zinc/62/52/20/841625220.db2.gz USJKVVSSVMQTBZ-LJQANCHMSA-N 1 3 392.975 3.508 20 0 GHADHO O=C(c1cccc2c1CNC2)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000662790876 841633077 /nfs/dbraw/zinc/63/30/77/841633077.db2.gz NXGSLFVNVSXTNV-UHFFFAOYSA-N 1 3 383.923 3.681 20 0 GHADHO COc1cc(Br)c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785922 841923513 /nfs/dbraw/zinc/92/35/13/841923513.db2.gz NGZJXBAURCKVKT-HNNXBMFYSA-N 1 3 397.357 3.678 20 0 GHADHO COc1cc(OC)c([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000178040015 861297582 /nfs/dbraw/zinc/29/75/82/861297582.db2.gz CUEKLKUCJYMSGH-JYJNAYRXSA-N 1 3 384.948 3.897 20 0 GHADHO CCc1ncnc2c1CCN([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168044044 861323888 /nfs/dbraw/zinc/32/38/88/861323888.db2.gz CXUYOSJLBVEKGT-CEQLMSFQSA-N 1 3 378.564 3.881 20 0 GHADHO CCc1ncnc2c1CCN([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168044044 861323910 /nfs/dbraw/zinc/32/39/10/861323910.db2.gz CXUYOSJLBVEKGT-CEQLMSFQSA-N 1 3 378.564 3.881 20 0 GHADHO CCc1ncnc2c1CCN(C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001168044048 861333259 /nfs/dbraw/zinc/33/32/59/861333259.db2.gz CXUYOSJLBVEKGT-RTBURBONSA-N 1 3 378.564 3.881 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000555598382 861381127 /nfs/dbraw/zinc/38/11/27/861381127.db2.gz RSRDPTDDARNNGO-IBGZPJMESA-N 1 3 381.358 3.808 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000555598382 861381140 /nfs/dbraw/zinc/38/11/40/861381140.db2.gz RSRDPTDDARNNGO-IBGZPJMESA-N 1 3 381.358 3.808 20 0 GHADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430955620 843252517 /nfs/dbraw/zinc/25/25/17/843252517.db2.gz ZQYSCCXKSLXFJS-FZKQIMNGSA-N 1 3 384.351 3.716 20 0 GHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548410464 843285934 /nfs/dbraw/zinc/28/59/34/843285934.db2.gz CMEZQCOFTIFOND-QHCPKHFHSA-N 1 3 377.532 3.849 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccc(Cl)cc1 ZINC000662533113 843396629 /nfs/dbraw/zinc/39/66/29/843396629.db2.gz ZNUPYLNJCOFXTR-WIYYLYMNSA-N 1 3 385.939 3.751 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1(C)C ZINC000549611739 843586902 /nfs/dbraw/zinc/58/69/02/843586902.db2.gz XNCOYECABXPHOG-LJQANCHMSA-N 1 3 394.401 3.832 20 0 GHADHO COc1ccc(OCc2ccccn2)c(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000092380988 843801114 /nfs/dbraw/zinc/80/11/14/843801114.db2.gz KQJDTGQNLXWZET-UHFFFAOYSA-N 1 3 383.536 3.833 20 0 GHADHO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H](c1ccccc1)N(C)C ZINC000500670372 843801871 /nfs/dbraw/zinc/80/18/71/843801871.db2.gz UNXPQNBBKOKPRR-VDHUWJSZSA-N 1 3 399.501 3.703 20 0 GHADHO C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H](c1ccccc1)N(C)C ZINC000500670372 843801881 /nfs/dbraw/zinc/80/18/81/843801881.db2.gz UNXPQNBBKOKPRR-VDHUWJSZSA-N 1 3 399.501 3.703 20 0 GHADHO C[C@@H](C1CC1)N(C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000433212547 843860943 /nfs/dbraw/zinc/86/09/43/843860943.db2.gz JUBBPBZDEOACBM-FQEVSTJZSA-N 1 3 395.591 3.764 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512666822 844967607 /nfs/dbraw/zinc/96/76/07/844967607.db2.gz MPLBTFLZZDWKOA-FQUZAXHOSA-N 1 3 378.560 3.728 20 0 GHADHO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000512669327 844977495 /nfs/dbraw/zinc/97/74/95/844977495.db2.gz ZNFSMMQXQRXJMC-GNADVCDUSA-N 1 3 397.607 3.960 20 0 GHADHO CC(C)(C)N1CCC([NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000513203688 845045558 /nfs/dbraw/zinc/04/55/58/845045558.db2.gz ILBARGLRDVDQFA-UHFFFAOYSA-N 1 3 393.019 3.705 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000513390356 845341503 /nfs/dbraw/zinc/34/15/03/845341503.db2.gz OPSIDCJNRXFRES-COPCDDAFSA-N 1 3 388.600 3.612 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000513390356 845341515 /nfs/dbraw/zinc/34/15/15/845341515.db2.gz OPSIDCJNRXFRES-COPCDDAFSA-N 1 3 388.600 3.612 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](Cc2ccccc2Cl)c2ccccc2)CC1 ZINC000411459304 845467304 /nfs/dbraw/zinc/46/73/04/845467304.db2.gz RPMBKQBSZRXGFQ-JOCHJYFZSA-N 1 3 399.966 3.814 20 0 GHADHO CC[NH+]1CCN(Cc2ccc(CNCc3ccc(F)c(F)c3F)cc2)CC1 ZINC000657312333 846071901 /nfs/dbraw/zinc/07/19/01/846071901.db2.gz GMZWEQGPADVGDN-UHFFFAOYSA-N 1 3 377.454 3.531 20 0 GHADHO O=C(CC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000582057541 846164912 /nfs/dbraw/zinc/16/49/12/846164912.db2.gz RMRRBFLIAVNTBL-IBGZPJMESA-N 1 3 385.939 3.823 20 0 GHADHO O=C(CCNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000582057541 846164920 /nfs/dbraw/zinc/16/49/20/846164920.db2.gz RMRRBFLIAVNTBL-IBGZPJMESA-N 1 3 385.939 3.823 20 0 GHADHO O=C(CCNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000582057541 846164925 /nfs/dbraw/zinc/16/49/25/846164925.db2.gz RMRRBFLIAVNTBL-IBGZPJMESA-N 1 3 385.939 3.823 20 0 GHADHO c1ccc(CCN2CC[C@@H](C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)C2)cc1 ZINC000657354141 846472651 /nfs/dbraw/zinc/47/26/51/846472651.db2.gz QSOZGJPCCATUKL-LADGPHEKSA-N 1 3 380.532 3.509 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000673768060 861682075 /nfs/dbraw/zinc/68/20/75/861682075.db2.gz VXRNIWSILNLNQM-GOSISDBHSA-N 1 3 386.584 3.602 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000502875563 846560958 /nfs/dbraw/zinc/56/09/58/846560958.db2.gz MMBJHUGIVDWIGH-SFTDATJTSA-N 1 3 388.600 3.518 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501162882 846693925 /nfs/dbraw/zinc/69/39/25/846693925.db2.gz LBEUIDWXFLHPCL-ZHALLVOQSA-N 1 3 380.602 3.693 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501162882 846693930 /nfs/dbraw/zinc/69/39/30/846693930.db2.gz LBEUIDWXFLHPCL-ZHALLVOQSA-N 1 3 380.602 3.693 20 0 GHADHO CC(C)[C@@H](CNC(=O)N(CCN(C)C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000501168332 846708891 /nfs/dbraw/zinc/70/88/91/846708891.db2.gz XRTQUFCXEWDJGR-JOCHJYFZSA-N 1 3 388.600 3.516 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000120048865 846805219 /nfs/dbraw/zinc/80/52/19/846805219.db2.gz ZXAVYTROCXTYSZ-SFHVURJKSA-N 1 3 386.565 3.843 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000120048865 846805226 /nfs/dbraw/zinc/80/52/26/846805226.db2.gz ZXAVYTROCXTYSZ-SFHVURJKSA-N 1 3 386.565 3.843 20 0 GHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000582295393 846810284 /nfs/dbraw/zinc/81/02/84/846810284.db2.gz GDRSFWQWGZNQSO-VZDNWZCBSA-N 1 3 391.515 3.942 20 0 GHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000503118316 846813774 /nfs/dbraw/zinc/81/37/74/846813774.db2.gz PATNQGORXRSRGQ-GHTZIAJQSA-N 1 3 382.552 3.718 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(O[C@H]3CCOC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000657389187 846819205 /nfs/dbraw/zinc/81/92/05/846819205.db2.gz SVJZJKLKMQPQLM-CKUXNOBLSA-N 1 3 380.532 3.997 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(O[C@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000657389187 846819212 /nfs/dbraw/zinc/81/92/12/846819212.db2.gz SVJZJKLKMQPQLM-CKUXNOBLSA-N 1 3 380.532 3.997 20 0 GHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000503130750 846834227 /nfs/dbraw/zinc/83/42/27/846834227.db2.gz JCZJFRIZWMTQDK-SIKLNZKXSA-N 1 3 396.579 3.588 20 0 GHADHO CC(C)(C)[NH2+]CCC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001268911394 847020735 /nfs/dbraw/zinc/02/07/35/847020735.db2.gz XUIVTVPQLAHWCZ-IBGZPJMESA-N 1 3 381.511 3.775 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000272933310 847211186 /nfs/dbraw/zinc/21/11/86/847211186.db2.gz ZWSKQTYZEOEOGS-AVRDEDQJSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000272933310 847211197 /nfs/dbraw/zinc/21/11/97/847211197.db2.gz ZWSKQTYZEOEOGS-AVRDEDQJSA-N 1 3 379.504 3.643 20 0 GHADHO C[N@@H+]1CCC[C@@H]1CCN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299304 847618370 /nfs/dbraw/zinc/61/83/70/847618370.db2.gz JKJGERFDLXUACO-GOSISDBHSA-N 1 3 381.358 3.914 20 0 GHADHO C[N@H+]1CCC[C@@H]1CCN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299304 847618375 /nfs/dbraw/zinc/61/83/75/847618375.db2.gz JKJGERFDLXUACO-GOSISDBHSA-N 1 3 381.358 3.914 20 0 GHADHO COc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)N2CCCCC2)cc1 ZINC000422769884 847816080 /nfs/dbraw/zinc/81/60/80/847816080.db2.gz VLFMBGPIINFESF-YGOYIFOWSA-N 1 3 381.564 3.770 20 0 GHADHO C[C@H](C[C@H]1COCC[NH2+]1)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422788821 847821060 /nfs/dbraw/zinc/82/10/60/847821060.db2.gz NMNNIDPWGJNACE-ZBFHGGJFSA-N 1 3 395.425 3.749 20 0 GHADHO CN(C)c1cc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2n1 ZINC000422808578 847833489 /nfs/dbraw/zinc/83/34/89/847833489.db2.gz OMJWCHZWQQCSAA-URXFXBBRSA-N 1 3 388.515 3.646 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000422832331 847845506 /nfs/dbraw/zinc/84/55/06/847845506.db2.gz FQFMCYAMXFIVQD-QWHCGFSZSA-N 1 3 378.314 3.729 20 0 GHADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422818325 847852386 /nfs/dbraw/zinc/85/23/86/847852386.db2.gz GDEJEECUKXKNNM-RYQLBKOJSA-N 1 3 393.959 3.886 20 0 GHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422876274 847876947 /nfs/dbraw/zinc/87/69/47/847876947.db2.gz FKPZTFCHNJEIEM-MAUKXSAKSA-N 1 3 381.358 3.604 20 0 GHADHO c1coc([C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCCC2)c1 ZINC000422966134 847905941 /nfs/dbraw/zinc/90/59/41/847905941.db2.gz QSBLWFKULRYMBY-QTEQDKRBSA-N 1 3 381.520 3.652 20 0 GHADHO FC(F)(F)c1cccc(OCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422950709 847911922 /nfs/dbraw/zinc/91/19/22/847911922.db2.gz WOHVUOOKYLJHEJ-ICSRJNTNSA-N 1 3 392.421 3.930 20 0 GHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1CN(C)Cc1ccco1 ZINC000423009265 847936333 /nfs/dbraw/zinc/93/63/33/847936333.db2.gz VJWWRCFRCDTSHW-NTKDMRAZSA-N 1 3 377.532 3.960 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000422996151 847941092 /nfs/dbraw/zinc/94/10/92/847941092.db2.gz KZRIKYMXSKTVSP-CEXJFXJFSA-N 1 3 383.536 3.825 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H](C)c3ccc(C[NH3+])nc3C)c2)n1 ZINC000423079082 847968741 /nfs/dbraw/zinc/96/87/41/847968741.db2.gz PZXUJLZTEJZRNK-ZDUSSCGKSA-N 1 3 396.516 3.610 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423082061 847970746 /nfs/dbraw/zinc/97/07/46/847970746.db2.gz DUDZLLFWHAKVCC-CVAIRZPRSA-N 1 3 388.353 3.576 20 0 GHADHO c1cnc(Oc2ccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2)cn1 ZINC000657612642 848339244 /nfs/dbraw/zinc/33/92/44/848339244.db2.gz CANZBXJMYUEGDE-UHFFFAOYSA-N 1 3 389.503 3.666 20 0 GHADHO Brc1cccc(OCCSCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166575798 848797497 /nfs/dbraw/zinc/79/74/97/848797497.db2.gz XHXMBVKECTZCRK-DLBZAZTESA-N 1 3 399.398 3.778 20 0 GHADHO Brc1cccc(OCCSCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166575798 848797498 /nfs/dbraw/zinc/79/74/98/848797498.db2.gz XHXMBVKECTZCRK-DLBZAZTESA-N 1 3 399.398 3.778 20 0 GHADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000564411068 848897590 /nfs/dbraw/zinc/89/75/90/848897590.db2.gz JMLOZKSUNVPMCG-TXQCQQFXSA-N 1 3 380.479 3.782 20 0 GHADHO C[C@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000162385134 848988320 /nfs/dbraw/zinc/98/83/20/848988320.db2.gz ZPZHQGCTOJJYQX-IBGZPJMESA-N 1 3 382.552 3.863 20 0 GHADHO Cc1cc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079525 849027860 /nfs/dbraw/zinc/02/78/60/849027860.db2.gz YFRPLTKGUSMCLT-AEFFLSMTSA-N 1 3 380.960 3.585 20 0 GHADHO Cc1cc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079525 849027866 /nfs/dbraw/zinc/02/78/66/849027866.db2.gz YFRPLTKGUSMCLT-AEFFLSMTSA-N 1 3 380.960 3.585 20 0 GHADHO Cc1cc(OC[C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079525 849027870 /nfs/dbraw/zinc/02/78/70/849027870.db2.gz YFRPLTKGUSMCLT-AEFFLSMTSA-N 1 3 380.960 3.585 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414853372 849765235 /nfs/dbraw/zinc/76/52/35/849765235.db2.gz SEDNDHCWNHMEMH-SUMWQHHRSA-N 1 3 387.446 3.800 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126768672 849813450 /nfs/dbraw/zinc/81/34/50/849813450.db2.gz VGSHSKWSPNVIDQ-OXJNMPFZSA-N 1 3 381.520 3.583 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126768672 849813454 /nfs/dbraw/zinc/81/34/54/849813454.db2.gz VGSHSKWSPNVIDQ-OXJNMPFZSA-N 1 3 381.520 3.583 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)CCc2n[nH]c3ccccc32)cc1 ZINC000423326041 849867458 /nfs/dbraw/zinc/86/74/58/849867458.db2.gz JBNYQDNGOFYAHZ-ICPLQIHGSA-N 1 3 378.520 3.628 20 0 GHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(I)c1 ZINC000423397478 849901421 /nfs/dbraw/zinc/90/14/21/849901421.db2.gz SZNXXVCBHVEVEJ-LLVKDONJSA-N 1 3 396.247 3.884 20 0 GHADHO CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000415001090 850091955 /nfs/dbraw/zinc/09/19/55/850091955.db2.gz KOBPZPUJZTYCEQ-GHTZIAJQSA-N 1 3 389.559 3.536 20 0 GHADHO CC(C)CN(C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCN(C)CC1 ZINC000668691880 850141280 /nfs/dbraw/zinc/14/12/80/850141280.db2.gz UYVLCQHZKAZCCN-QFIPXVFZSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)CN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCN(C)CC1 ZINC000668691880 850141284 /nfs/dbraw/zinc/14/12/84/850141284.db2.gz UYVLCQHZKAZCCN-QFIPXVFZSA-N 1 3 385.596 3.520 20 0 GHADHO Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@@]5(CCN(C)C5)C4)cc3)nc12 ZINC000430135275 850156698 /nfs/dbraw/zinc/15/66/98/850156698.db2.gz QMMPZCQEEJYSKF-XMMPIXPASA-N 1 3 390.531 3.749 20 0 GHADHO Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@@]5(CCN(C)C5)C4)cc3)nc12 ZINC000430135275 850156704 /nfs/dbraw/zinc/15/67/04/850156704.db2.gz QMMPZCQEEJYSKF-XMMPIXPASA-N 1 3 390.531 3.749 20 0 GHADHO Cc1cc(C[NH3+])cc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000424243017 850329857 /nfs/dbraw/zinc/32/98/57/850329857.db2.gz PDJSAODUHFUJGM-FQEVSTJZSA-N 1 3 391.437 3.847 20 0 GHADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000424301102 850342848 /nfs/dbraw/zinc/34/28/48/850342848.db2.gz XAFFQIAXPFKYLF-KBPBESRZSA-N 1 3 384.351 3.635 20 0 GHADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000424301107 850343197 /nfs/dbraw/zinc/34/31/97/850343197.db2.gz XAFFQIAXPFKYLF-KGLIPLIRSA-N 1 3 384.351 3.635 20 0 GHADHO Cc1ccc([C@H](NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c2cccs2)cc1 ZINC000424282822 850353615 /nfs/dbraw/zinc/35/36/15/850353615.db2.gz ATBSEQCYPZVLRD-AVRDEDQJSA-N 1 3 397.588 3.726 20 0 GHADHO CC(C)[NH+]1CCC(N[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000180403572 862121932 /nfs/dbraw/zinc/12/19/32/862121932.db2.gz FMDXUDDGNWCJCW-AWEZNQCLSA-N 1 3 387.446 3.765 20 0 GHADHO C[C@@H]1CC2(CN1Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC[NH2+]CC2 ZINC000424372858 850412866 /nfs/dbraw/zinc/41/28/66/850412866.db2.gz FZTFWDYPXYDAFA-VQIMIIECSA-N 1 3 378.944 3.862 20 0 GHADHO Cc1cc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)ccc1-n1cncn1 ZINC000435424864 850504845 /nfs/dbraw/zinc/50/48/45/850504845.db2.gz BNFVINDMMOZIHO-OAQYLSRUSA-N 1 3 393.560 3.782 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3CCC3CCCC3)CC2)CC1 ZINC000487667098 850818831 /nfs/dbraw/zinc/81/88/31/850818831.db2.gz NYQADWXMCHJRGI-QFIPXVFZSA-N 1 3 390.616 3.689 20 0 GHADHO C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000487819746 850911977 /nfs/dbraw/zinc/91/19/77/850911977.db2.gz QPIUTXDZTSRXAU-GCJKJVERSA-N 1 3 386.584 3.632 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000569939389 851029628 /nfs/dbraw/zinc/02/96/28/851029628.db2.gz RNEVZXRTXZZDFS-QHCPKHFHSA-N 1 3 383.580 3.840 20 0 GHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000514161441 851315455 /nfs/dbraw/zinc/31/54/55/851315455.db2.gz AMWOUBQAXSHPOD-MSOLQXFVSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000514161441 851315462 /nfs/dbraw/zinc/31/54/62/851315462.db2.gz AMWOUBQAXSHPOD-MSOLQXFVSA-N 1 3 392.613 3.695 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)CC1 ZINC000425503449 851392957 /nfs/dbraw/zinc/39/29/57/851392957.db2.gz JAIKZLZQFVUEBV-UHFFFAOYSA-N 1 3 390.641 3.617 20 0 GHADHO C[C@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000489901800 852635062 /nfs/dbraw/zinc/63/50/62/852635062.db2.gz XUNVOULHCZSKEO-VQTJNVASSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000489901800 852635068 /nfs/dbraw/zinc/63/50/68/852635068.db2.gz XUNVOULHCZSKEO-VQTJNVASSA-N 1 3 386.584 3.555 20 0 GHADHO C[NH2+]Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000516573022 852741449 /nfs/dbraw/zinc/74/14/49/852741449.db2.gz UIGGBDAGCXNUNT-HXUWFJFHSA-N 1 3 391.437 3.799 20 0 GHADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000427269114 852918972 /nfs/dbraw/zinc/91/89/72/852918972.db2.gz GRVJXEPYOSRPHS-QFBILLFUSA-N 1 3 399.501 3.984 20 0 GHADHO CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]13)C2 ZINC000507513431 852991628 /nfs/dbraw/zinc/99/16/28/852991628.db2.gz RNDMHBDMQUQGNY-CIAFKFPVSA-N 1 3 392.591 3.996 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)c2ccccc2C[NH+](C)C)N(C)C)cc1 ZINC000490492002 853049534 /nfs/dbraw/zinc/04/95/34/853049534.db2.gz KONMFBYJIKVXNN-QHCPKHFHSA-N 1 3 381.564 3.979 20 0 GHADHO C[NH+](C)CCOC1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000732667561 862432122 /nfs/dbraw/zinc/43/21/22/862432122.db2.gz QYMIWDVQNNXHFL-UHFFFAOYSA-N 1 3 384.549 3.605 20 0 GHADHO C[C@@H](c1ccccc1Br)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543522717 862436869 /nfs/dbraw/zinc/43/68/69/862436869.db2.gz PBIYKQRWBIBDOT-KRWDZBQOSA-N 1 3 394.401 3.860 20 0 GHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(n3cc(Cl)cn3)CC2)CC1 ZINC000507713110 853216312 /nfs/dbraw/zinc/21/63/12/853216312.db2.gz HXITZJBGULKHDN-UHFFFAOYSA-N 1 3 387.959 3.516 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000518629061 853564498 /nfs/dbraw/zinc/56/44/98/853564498.db2.gz ZQFCEJVEYNEJLM-PMACEKPBSA-N 1 3 392.613 3.791 20 0 GHADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000520112881 853841744 /nfs/dbraw/zinc/84/17/44/853841744.db2.gz CSELQOIARFIXRL-IBGZPJMESA-N 1 3 399.510 3.617 20 0 GHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCc1cccc(N2CCOCC2)c1 ZINC000571505016 853898240 /nfs/dbraw/zinc/89/82/40/853898240.db2.gz HKVHVCYGSIUWMJ-UHFFFAOYSA-N 1 3 381.564 3.771 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1cccc(N2CCOCC2)c1 ZINC000571505016 853898247 /nfs/dbraw/zinc/89/82/47/853898247.db2.gz HKVHVCYGSIUWMJ-UHFFFAOYSA-N 1 3 381.564 3.771 20 0 GHADHO O=C(CN1CCC2(CCCCC2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000588169684 854195957 /nfs/dbraw/zinc/19/59/57/854195957.db2.gz ALSUICQCZCNXDR-UHFFFAOYSA-N 1 3 383.580 3.945 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCc4ccccc43)c2)C1 ZINC000112545885 854246390 /nfs/dbraw/zinc/24/63/90/854246390.db2.gz SVDOESGYGHAXSL-GMAHTHKFSA-N 1 3 377.532 3.551 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCc4ccccc43)c2)C1 ZINC000112545885 854246394 /nfs/dbraw/zinc/24/63/94/854246394.db2.gz SVDOESGYGHAXSL-GMAHTHKFSA-N 1 3 377.532 3.551 20 0 GHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000112545917 854246725 /nfs/dbraw/zinc/24/67/25/854246725.db2.gz BZUMWTFAELFWBF-UZLBHIALSA-N 1 3 385.939 3.888 20 0 GHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000112545917 854246732 /nfs/dbraw/zinc/24/67/32/854246732.db2.gz BZUMWTFAELFWBF-UZLBHIALSA-N 1 3 385.939 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167995188 854430792 /nfs/dbraw/zinc/43/07/92/854430792.db2.gz YJHXKRGKMLWYSF-JKIHBJOUSA-N 1 3 389.584 3.581 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167995188 854430795 /nfs/dbraw/zinc/43/07/95/854430795.db2.gz YJHXKRGKMLWYSF-JKIHBJOUSA-N 1 3 389.584 3.581 20 0 GHADHO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994318 854436988 /nfs/dbraw/zinc/43/69/88/854436988.db2.gz BNMQJNUKVILPEZ-LAVRTFCYSA-N 1 3 381.564 3.515 20 0 GHADHO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994318 854436990 /nfs/dbraw/zinc/43/69/90/854436990.db2.gz BNMQJNUKVILPEZ-LAVRTFCYSA-N 1 3 381.564 3.515 20 0 GHADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000624010081 862581852 /nfs/dbraw/zinc/58/18/52/862581852.db2.gz HLKANWYSZIOYIO-SFHVURJKSA-N 1 3 382.552 3.629 20 0 GHADHO Brc1cccc(O[C@@H]2CC[N@@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168394545 855154091 /nfs/dbraw/zinc/15/40/91/855154091.db2.gz BMDIWDPLTSUETB-LJQANCHMSA-N 1 3 379.342 3.777 20 0 GHADHO Brc1cccc(O[C@@H]2CC[N@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168394545 855154098 /nfs/dbraw/zinc/15/40/98/855154098.db2.gz BMDIWDPLTSUETB-LJQANCHMSA-N 1 3 379.342 3.777 20 0 GHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCCO2 ZINC000180998124 862711292 /nfs/dbraw/zinc/71/12/92/862711292.db2.gz DKFQISBPVMJLSL-JOCHJYFZSA-N 1 3 395.547 3.598 20 0 GHADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SC(F)F)cc1 ZINC000765887450 855877117 /nfs/dbraw/zinc/87/71/17/855877117.db2.gz ZYIKFSYVSYVARS-CQSZACIVSA-N 1 3 385.524 3.595 20 0 GHADHO C[C@@H]1C[C@@H](NCCN(C)C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168007402 856086360 /nfs/dbraw/zinc/08/63/60/856086360.db2.gz RYAMUKBEUVFPDL-OPVJXMOQSA-N 1 3 375.557 3.885 20 0 GHADHO C[C@@H]1C[C@@H](NCCN(C)C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007402 856086370 /nfs/dbraw/zinc/08/63/70/856086370.db2.gz RYAMUKBEUVFPDL-OPVJXMOQSA-N 1 3 375.557 3.885 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000465826725 856153535 /nfs/dbraw/zinc/15/35/35/856153535.db2.gz QJGLMAWRHCGZNA-FCHUYYIVSA-N 1 3 386.584 3.648 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000465826725 856153537 /nfs/dbraw/zinc/15/35/37/856153537.db2.gz QJGLMAWRHCGZNA-FCHUYYIVSA-N 1 3 386.584 3.648 20 0 GHADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000591582337 856164153 /nfs/dbraw/zinc/16/41/53/856164153.db2.gz JFBPKHFKDYYUAG-PBHICJAKSA-N 1 3 398.332 3.877 20 0 GHADHO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000760883521 856212302 /nfs/dbraw/zinc/21/23/02/856212302.db2.gz BTDVNTQLZWZSQI-PIPMEXSNSA-N 1 3 376.541 3.526 20 0 GHADHO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccc(OC)c(F)c2)s1 ZINC000665259910 857207061 /nfs/dbraw/zinc/20/70/61/857207061.db2.gz VBKMRHDMKNJLIA-XGWLTEMNSA-N 1 3 377.529 3.958 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181491620 862900066 /nfs/dbraw/zinc/90/00/66/862900066.db2.gz YWGUKNKFNJCBNV-OAHLLOKOSA-N 1 3 394.357 3.874 20 0 GHADHO CC(C)[C@H]1c2ccccc2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000675709463 857572559 /nfs/dbraw/zinc/57/25/59/857572559.db2.gz GLNZRBIAFWTTMU-QHCPKHFHSA-N 1 3 398.595 3.510 20 0 GHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000063915597 857672717 /nfs/dbraw/zinc/67/27/17/857672717.db2.gz MTVWZWYIIPSZLV-HSZRJFAPSA-N 1 3 377.532 3.677 20 0 GHADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000065872547 857869204 /nfs/dbraw/zinc/86/92/04/857869204.db2.gz CSELQOIARFIXRL-LJQANCHMSA-N 1 3 399.510 3.617 20 0 GHADHO C[C@@H](Cc1ccccc1)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574797006 858320916 /nfs/dbraw/zinc/32/09/16/858320916.db2.gz PSVAJEHBNMCZGZ-DHLKQENFSA-N 1 3 377.576 3.757 20 0 GHADHO C[C@@H](Cc1ccccc1)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574797006 858320923 /nfs/dbraw/zinc/32/09/23/858320923.db2.gz PSVAJEHBNMCZGZ-DHLKQENFSA-N 1 3 377.576 3.757 20 0 GHADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000443061353 858329773 /nfs/dbraw/zinc/32/97/73/858329773.db2.gz RHMSPNIOGIHLII-KSSFIOAISA-N 1 3 384.351 3.718 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000521991179 858515135 /nfs/dbraw/zinc/51/51/35/858515135.db2.gz RRSLCGGJAPSYQH-IRLDBZIGSA-N 1 3 386.584 3.696 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000521991179 858515143 /nfs/dbraw/zinc/51/51/43/858515143.db2.gz RRSLCGGJAPSYQH-IRLDBZIGSA-N 1 3 386.584 3.696 20 0 GHADHO COc1cc2c(cc1OC)[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC000479063220 858825854 /nfs/dbraw/zinc/82/58/54/858825854.db2.gz PZLYKWSOSBHILJ-OAQYLSRUSA-N 1 3 384.520 3.811 20 0 GHADHO COc1cccc(C[C@H](CO)NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168020738 858852847 /nfs/dbraw/zinc/85/28/47/858852847.db2.gz NKETWLSGBHGYIQ-SFYKDHMMSA-N 1 3 382.548 3.630 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000482861535 858925300 /nfs/dbraw/zinc/92/53/00/858925300.db2.gz CKQRCMSYJTWXBD-FQEVSTJZSA-N 1 3 377.960 3.640 20 0 GHADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589322 859004592 /nfs/dbraw/zinc/00/45/92/859004592.db2.gz DHCJOLNBZXJMBV-LJQANCHMSA-N 1 3 389.559 3.933 20 0 GHADHO C[C@H](NC[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754861 859125992 /nfs/dbraw/zinc/12/59/92/859125992.db2.gz BWODLBUTBNUIIL-XAUMDUMWSA-N 1 3 384.486 3.851 20 0 GHADHO C[C@H](NC[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754861 859125997 /nfs/dbraw/zinc/12/59/97/859125997.db2.gz BWODLBUTBNUIIL-XAUMDUMWSA-N 1 3 384.486 3.851 20 0 GHADHO O[C@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)COCc1cccs1 ZINC000380759474 859279947 /nfs/dbraw/zinc/27/99/47/859279947.db2.gz XGRGCITWHWMRFN-LEWJYISDSA-N 1 3 388.577 3.518 20 0 GHADHO O[C@H](CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759474 859279952 /nfs/dbraw/zinc/27/99/52/859279952.db2.gz XGRGCITWHWMRFN-LEWJYISDSA-N 1 3 388.577 3.518 20 0 GHADHO O[C@H](CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759474 859279963 /nfs/dbraw/zinc/27/99/63/859279963.db2.gz XGRGCITWHWMRFN-LEWJYISDSA-N 1 3 388.577 3.518 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H](C)O1 ZINC000195250475 859366986 /nfs/dbraw/zinc/36/69/86/859366986.db2.gz FPIOHOXRMYEADR-IAGOWNOFSA-N 1 3 376.932 3.505 20 0 GHADHO COC1(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCCCC1 ZINC000856558407 881417013 /nfs/dbraw/zinc/41/70/13/881417013.db2.gz HFIYTTBWGSVMMR-NRFANRHFSA-N 1 3 375.557 3.724 20 0 GHADHO COC1(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCCCC1 ZINC000856558407 881417073 /nfs/dbraw/zinc/41/70/73/881417073.db2.gz HFIYTTBWGSVMMR-NRFANRHFSA-N 1 3 375.557 3.724 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000764716188 859579489 /nfs/dbraw/zinc/57/94/89/859579489.db2.gz UZTRHRDNTQFWHM-AUSIDOKSSA-N 1 3 377.532 3.814 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000764716188 859579498 /nfs/dbraw/zinc/57/94/98/859579498.db2.gz UZTRHRDNTQFWHM-AUSIDOKSSA-N 1 3 377.532 3.814 20 0 GHADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117849194 859639316 /nfs/dbraw/zinc/63/93/16/859639316.db2.gz PNYADBYRNYMVJY-VQIMIIECSA-N 1 3 385.474 3.546 20 0 GHADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117849194 859639321 /nfs/dbraw/zinc/63/93/21/859639321.db2.gz PNYADBYRNYMVJY-VQIMIIECSA-N 1 3 385.474 3.546 20 0 GHADHO Cc1nc2sc3c(c2c(N[C@H]2CCN(C4CC[NH+](C)CC4)C2)n1)CC[C@@H](C)C3 ZINC000602233319 859881849 /nfs/dbraw/zinc/88/18/49/859881849.db2.gz RRXREJKIXPWRSF-ZBFHGGJFSA-N 1 3 399.608 3.705 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](CC3CC3)C3CCCCC3)cc2)CC1 ZINC000727832707 860285505 /nfs/dbraw/zinc/28/55/05/860285505.db2.gz YGXBJZKHIOKXML-UHFFFAOYSA-N 1 3 398.595 3.812 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](CC3CC3)C3CCCCC3)cc2)CC1 ZINC000727832707 860285509 /nfs/dbraw/zinc/28/55/09/860285509.db2.gz YGXBJZKHIOKXML-UHFFFAOYSA-N 1 3 398.595 3.812 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000155323364 860480671 /nfs/dbraw/zinc/48/06/71/860480671.db2.gz IVRWSHHPHBDRLY-YADHBBJMSA-N 1 3 386.584 3.512 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856600749 881574821 /nfs/dbraw/zinc/57/48/21/881574821.db2.gz WSNZIWLQTLVGHT-QHCPKHFHSA-N 1 3 395.547 3.553 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856600749 881574838 /nfs/dbraw/zinc/57/48/38/881574838.db2.gz WSNZIWLQTLVGHT-QHCPKHFHSA-N 1 3 395.547 3.553 20 0 GHADHO CN1CC[C@@H]([NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1(C)C ZINC000623387542 860980097 /nfs/dbraw/zinc/98/00/97/860980097.db2.gz HWEVCQYTRBCALE-RTBURBONSA-N 1 3 399.501 3.541 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000481313141 861044270 /nfs/dbraw/zinc/04/42/70/861044270.db2.gz JFTROCIDRCVLNC-OAQYLSRUSA-N 1 3 393.575 3.965 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000481330688 861079230 /nfs/dbraw/zinc/07/92/30/861079230.db2.gz FJGVDKODFSILLQ-URXFXBBRSA-N 1 3 387.612 3.686 20 0 GHADHO CCOC(=O)c1cccc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000600142499 861116032 /nfs/dbraw/zinc/11/60/32/861116032.db2.gz OXPWFLYGYGJVPW-QUCCMNQESA-N 1 3 381.520 3.649 20 0 GHADHO CCOC(=O)c1cccc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000600142499 861116041 /nfs/dbraw/zinc/11/60/41/861116041.db2.gz OXPWFLYGYGJVPW-QUCCMNQESA-N 1 3 381.520 3.649 20 0 GHADHO CC(C)[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000182052496 863104089 /nfs/dbraw/zinc/10/40/89/863104089.db2.gz NYSXUKOGXFZYRR-OAQYLSRUSA-N 1 3 389.490 3.743 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)C[C@H](C)O1 ZINC000062252881 863152657 /nfs/dbraw/zinc/15/26/57/863152657.db2.gz WTKKHCWOAKAFQI-PMACEKPBSA-N 1 3 383.536 3.640 20 0 GHADHO C[NH+](C)CCOC1CCN(Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000537630869 881730043 /nfs/dbraw/zinc/73/00/43/881730043.db2.gz BMQRQYVEHVMZMT-UHFFFAOYSA-N 1 3 386.511 3.947 20 0 GHADHO Cc1ccc2c(c1)[C@H](NCc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000166543673 864743701 /nfs/dbraw/zinc/74/37/01/864743701.db2.gz BRVBPFBLTDVEQB-LADGPHEKSA-N 1 3 391.559 3.860 20 0 GHADHO Cc1ccc2c(c1)[C@H](NCc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000166543673 864743712 /nfs/dbraw/zinc/74/37/12/864743712.db2.gz BRVBPFBLTDVEQB-LADGPHEKSA-N 1 3 391.559 3.860 20 0 GHADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168099200 864846797 /nfs/dbraw/zinc/84/67/97/864846797.db2.gz YHTZTOOWOYFCIZ-KRWDZBQOSA-N 1 3 378.520 3.859 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNCc2cn3ccc(Br)cc3n2)C1 ZINC000554969840 865270984 /nfs/dbraw/zinc/27/09/84/865270984.db2.gz YVRSIWFEBKJLHI-OAHLLOKOSA-N 1 3 379.346 3.699 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cn3ccc(Br)cc3n2)C1 ZINC000554969840 865270997 /nfs/dbraw/zinc/27/09/97/865270997.db2.gz YVRSIWFEBKJLHI-OAHLLOKOSA-N 1 3 379.346 3.699 20 0 GHADHO Cc1ccc2nccc(NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)c2c1 ZINC000302138650 865729397 /nfs/dbraw/zinc/72/93/97/865729397.db2.gz CPWPGWBDDJWEOJ-HXUWFJFHSA-N 1 3 388.515 3.853 20 0 GHADHO Cc1ccc2nccc(NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)c2c1 ZINC000302138650 865729403 /nfs/dbraw/zinc/72/94/03/865729403.db2.gz CPWPGWBDDJWEOJ-HXUWFJFHSA-N 1 3 388.515 3.853 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCCCCC[NH+](C)C ZINC000741081750 866226262 /nfs/dbraw/zinc/22/62/62/866226262.db2.gz ZEMACKVEGLBVNX-OAQYLSRUSA-N 1 3 388.600 3.805 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCc4c(C)cccc43)CC2)CC1 ZINC000620674060 866931215 /nfs/dbraw/zinc/93/12/15/866931215.db2.gz RZMGOYXIDHJDCZ-HSZRJFAPSA-N 1 3 383.580 3.685 20 0 GHADHO C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000153783730 867076568 /nfs/dbraw/zinc/07/65/68/867076568.db2.gz VYXLMFONHVNVMJ-SFHVURJKSA-N 1 3 391.987 3.585 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000154276625 867331192 /nfs/dbraw/zinc/33/11/92/867331192.db2.gz PIIPMICTSHJOHJ-XMMPIXPASA-N 1 3 399.554 3.735 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000121330974 882075405 /nfs/dbraw/zinc/07/54/05/882075405.db2.gz IFNHZVVSCNLXBS-CABCVRRESA-N 1 3 389.918 3.866 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCc4sccc43)c2)C1 ZINC000268961929 867863233 /nfs/dbraw/zinc/86/32/33/867863233.db2.gz XLLGXBHNGRYJFX-ICSRJNTNSA-N 1 3 383.561 3.613 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCc4sccc43)c2)C1 ZINC000268961929 867863244 /nfs/dbraw/zinc/86/32/44/867863244.db2.gz XLLGXBHNGRYJFX-ICSRJNTNSA-N 1 3 383.561 3.613 20 0 GHADHO CN(C)Cc1cccc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000155395365 867894142 /nfs/dbraw/zinc/89/41/42/867894142.db2.gz CMPCIVATYUZEJA-UHFFFAOYSA-N 1 3 381.520 3.865 20 0 GHADHO COc1ccc([C@H](CN(C)C)NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)cc1 ZINC000857247832 882142162 /nfs/dbraw/zinc/14/21/62/882142162.db2.gz GBDKTPIRPVSUPD-GGAORHGYSA-N 1 3 395.547 3.537 20 0 GHADHO COc1ccc([C@H](CN(C)C)NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857247832 882142170 /nfs/dbraw/zinc/14/21/70/882142170.db2.gz GBDKTPIRPVSUPD-GGAORHGYSA-N 1 3 395.547 3.537 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3NC3CCCCC3)CC2)CC1 ZINC000479849583 868629525 /nfs/dbraw/zinc/62/95/25/868629525.db2.gz JMSNJGJQLRBFJQ-UHFFFAOYSA-N 1 3 398.595 3.720 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000157648476 868716901 /nfs/dbraw/zinc/71/69/01/868716901.db2.gz WAAXSZADPYYURI-OALUTQOASA-N 1 3 390.535 3.745 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000157648476 868716910 /nfs/dbraw/zinc/71/69/10/868716910.db2.gz WAAXSZADPYYURI-OALUTQOASA-N 1 3 390.535 3.745 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000457891518 868912555 /nfs/dbraw/zinc/91/25/55/868912555.db2.gz AWNUEXMJAATNJV-LJQANCHMSA-N 1 3 392.613 3.573 20 0 GHADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC000539517676 869293444 /nfs/dbraw/zinc/29/34/44/869293444.db2.gz RQCUPQPJYGHQPN-UHFFFAOYSA-N 1 3 384.467 3.980 20 0 GHADHO C[C@H]1C[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CN1Cc1ccccc1 ZINC000446592407 870041338 /nfs/dbraw/zinc/04/13/38/870041338.db2.gz WSFSKROHKOAQPJ-RXVVDRJESA-N 1 3 380.536 3.575 20 0 GHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc2c(c1)CCC2 ZINC000248141838 870299527 /nfs/dbraw/zinc/29/95/27/870299527.db2.gz PRZDRFJFDVAGGD-MHECFPHRSA-N 1 3 391.559 3.723 20 0 GHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc2c(c1)CCC2 ZINC000248141838 870299541 /nfs/dbraw/zinc/29/95/41/870299541.db2.gz PRZDRFJFDVAGGD-MHECFPHRSA-N 1 3 391.559 3.723 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000248153359 870301942 /nfs/dbraw/zinc/30/19/42/870301942.db2.gz RBDAEJVHPXUFRD-KNQAVFIVSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000248153359 870301960 /nfs/dbraw/zinc/30/19/60/870301960.db2.gz RBDAEJVHPXUFRD-KNQAVFIVSA-N 1 3 397.950 3.814 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000248159277 870303326 /nfs/dbraw/zinc/30/33/26/870303326.db2.gz RWQXRTLXTRKQAZ-XMSQKQJNSA-N 1 3 395.547 3.633 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000248159277 870303346 /nfs/dbraw/zinc/30/33/46/870303346.db2.gz RWQXRTLXTRKQAZ-XMSQKQJNSA-N 1 3 395.547 3.633 20 0 GHADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397561 870369227 /nfs/dbraw/zinc/36/92/27/870369227.db2.gz IAHUQLUDOKFWDC-NNWRFLSQSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397561 870369244 /nfs/dbraw/zinc/36/92/44/870369244.db2.gz IAHUQLUDOKFWDC-NNWRFLSQSA-N 1 3 398.595 3.603 20 0 GHADHO CC(C)C1CCC([NH+]2CCN(C(=O)c3sccc3CN(C)C)CC2)CC1 ZINC000446893421 870661065 /nfs/dbraw/zinc/66/10/65/870661065.db2.gz FUPQMPKCGYDPNN-UHFFFAOYSA-N 1 3 377.598 3.782 20 0 GHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000540163437 870671906 /nfs/dbraw/zinc/67/19/06/870671906.db2.gz LKBHJMZFPWIMFN-OTWHNJEPSA-N 1 3 381.358 3.868 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000525452515 870712477 /nfs/dbraw/zinc/71/24/77/870712477.db2.gz HSEYTCGIUTWOLT-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2cc(OC)c3c(c2)OCCO3)CC1)CC1CC1 ZINC000538857585 870755101 /nfs/dbraw/zinc/75/51/01/870755101.db2.gz JRLRBWACDLNERC-UHFFFAOYSA-N 1 3 388.552 3.800 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2cc(OC)c3c(c2)OCCO3)CC1)CC1CC1 ZINC000538857585 870755107 /nfs/dbraw/zinc/75/51/07/870755107.db2.gz JRLRBWACDLNERC-UHFFFAOYSA-N 1 3 388.552 3.800 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000463126126 870937092 /nfs/dbraw/zinc/93/70/92/870937092.db2.gz YHSNEVCHMBLGFQ-ZQRMPTRQSA-N 1 3 387.612 3.766 20 0 GHADHO COc1ccc(CN2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)CC2=O)cc1 ZINC001168909582 870996303 /nfs/dbraw/zinc/99/63/03/870996303.db2.gz NNSYZKRITBDGLP-NRFANRHFSA-N 1 3 399.579 3.573 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004729 871090156 /nfs/dbraw/zinc/09/01/56/871090156.db2.gz ONWCNYYWIOQJBG-TZIWHRDSSA-N 1 3 392.465 3.988 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004729 871090174 /nfs/dbraw/zinc/09/01/74/871090174.db2.gz ONWCNYYWIOQJBG-TZIWHRDSSA-N 1 3 392.465 3.988 20 0 GHADHO CC(C)N1CCN(CCC[N@H+](Cc2cccc(Br)c2)C2CC2)CC1 ZINC000191464235 882481403 /nfs/dbraw/zinc/48/14/03/882481403.db2.gz HGCUEMGQZNOQHS-UHFFFAOYSA-N 1 3 394.401 3.830 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+](Cc2cccc(Br)c2)C2CC2)CC1 ZINC000191464235 882481411 /nfs/dbraw/zinc/48/14/11/882481411.db2.gz HGCUEMGQZNOQHS-UHFFFAOYSA-N 1 3 394.401 3.830 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CCCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169129578 871219096 /nfs/dbraw/zinc/21/90/96/871219096.db2.gz JTDGFUQXYHGHSO-BWTSREIZSA-N 1 3 377.573 3.867 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CCCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169129578 871219107 /nfs/dbraw/zinc/21/91/07/871219107.db2.gz JTDGFUQXYHGHSO-BWTSREIZSA-N 1 3 377.573 3.867 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCc3ccccc3N1C(=O)OC(C)(C)C)C2 ZINC001169111835 871240059 /nfs/dbraw/zinc/24/00/59/871240059.db2.gz QFMMGKKMMNNEQK-IYWMVGAKSA-N 1 3 385.552 3.958 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C4CCCCC4)C3)CC2)CC1 ZINC000618186560 871393893 /nfs/dbraw/zinc/39/38/93/871393893.db2.gz OHQZSNRZHGUETL-OAQYLSRUSA-N 1 3 375.601 3.612 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)(C)CC(C)(C)C3)CC2)CC1 ZINC000618281740 871466168 /nfs/dbraw/zinc/46/61/68/871466168.db2.gz QDRNQNGAARRKBF-UHFFFAOYSA-N 1 3 377.617 3.858 20 0 GHADHO CN1CC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000253190992 871745861 /nfs/dbraw/zinc/74/58/61/871745861.db2.gz UBRVIJICKFDPRR-PKTZIBPZSA-N 1 3 391.559 3.850 20 0 GHADHO CN1CC[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000533946726 871761727 /nfs/dbraw/zinc/76/17/27/871761727.db2.gz LXYFQSFNHBUURZ-DHIUTWEWSA-N 1 3 398.595 3.729 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462191679 871823702 /nfs/dbraw/zinc/82/37/02/871823702.db2.gz WCIBSWRKMOCXFO-GBXCKJPGSA-N 1 3 391.559 3.535 20 0 GHADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821200 871849927 /nfs/dbraw/zinc/84/99/27/871849927.db2.gz GZEUQVYMVSFAOE-TZIWHRDSSA-N 1 3 386.584 3.800 20 0 GHADHO C[NH+](C)CCOc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182236675 872064674 /nfs/dbraw/zinc/06/46/74/872064674.db2.gz JTHCGKDFQMYPTH-UHFFFAOYSA-N 1 3 378.520 3.575 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000477929316 872158240 /nfs/dbraw/zinc/15/82/40/872158240.db2.gz QZNQLXZNXHHIFV-GNLZIIPMSA-N 1 3 382.523 3.619 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000477929316 872158252 /nfs/dbraw/zinc/15/82/52/872158252.db2.gz QZNQLXZNXHHIFV-GNLZIIPMSA-N 1 3 382.523 3.619 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000477929316 872158258 /nfs/dbraw/zinc/15/82/58/872158258.db2.gz QZNQLXZNXHHIFV-GNLZIIPMSA-N 1 3 382.523 3.619 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](c2cccs2)N(C)C)CC1 ZINC000236800779 882614373 /nfs/dbraw/zinc/61/43/73/882614373.db2.gz NDZAIBYNGLEDLH-OAQYLSRUSA-N 1 3 386.609 3.673 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC000768239044 873164123 /nfs/dbraw/zinc/16/41/23/873164123.db2.gz BFTSHURCBKJUQS-UHFFFAOYSA-N 1 3 379.589 3.974 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCOC1 ZINC000153077543 873172054 /nfs/dbraw/zinc/17/20/54/873172054.db2.gz HIWHZLDJCRZLLN-QZTJIDSGSA-N 1 3 399.501 3.622 20 0 GHADHO CC[C@@H](CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1)[NH+]1CCCC1 ZINC000237003049 882718403 /nfs/dbraw/zinc/71/84/03/882718403.db2.gz PMNYIAYHIXHSLF-YOEHRIQHSA-N 1 3 382.346 3.630 20 0 GHADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000550882096 882763646 /nfs/dbraw/zinc/76/36/46/882763646.db2.gz IMEFQUYUSXIYKN-PKTZIBPZSA-N 1 3 386.580 3.710 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000541547844 873847153 /nfs/dbraw/zinc/84/71/53/873847153.db2.gz XSMAPJPKFUYITD-HYBUGGRVSA-N 1 3 379.548 3.666 20 0 GHADHO Cc1cc(OCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)ccc1C(C)C ZINC000541663228 874041262 /nfs/dbraw/zinc/04/12/62/874041262.db2.gz OFTBNUOMUYOGDA-UHFFFAOYSA-N 1 3 387.612 3.847 20 0 GHADHO C[C@]1([C@H]2CCC[N@H+](CCCN3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892507 874094424 /nfs/dbraw/zinc/09/44/24/874094424.db2.gz YFOPOWDLNRMXIV-LADGPHEKSA-N 1 3 399.579 3.542 20 0 GHADHO C[C@]1([C@H]2CCC[N@@H+](CCCN3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892507 874094436 /nfs/dbraw/zinc/09/44/36/874094436.db2.gz YFOPOWDLNRMXIV-LADGPHEKSA-N 1 3 399.579 3.542 20 0 GHADHO C[C@]1([C@H]2CCCN(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892507 874094451 /nfs/dbraw/zinc/09/44/51/874094451.db2.gz YFOPOWDLNRMXIV-LADGPHEKSA-N 1 3 399.579 3.542 20 0 GHADHO COCCOc1ccc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000449080591 874464044 /nfs/dbraw/zinc/46/40/44/874464044.db2.gz XMHODLLLPDRVOU-FQEVSTJZSA-N 1 3 382.548 3.897 20 0 GHADHO c1ccc(CN2C[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C3(C2)CCOCC3)cc1 ZINC000449346115 874739697 /nfs/dbraw/zinc/73/96/97/874739697.db2.gz YJUJDFRLTVYXMP-FGZHOGPDSA-N 1 3 384.564 3.607 20 0 GHADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465421234 882906283 /nfs/dbraw/zinc/90/62/83/882906283.db2.gz FTABEGNICQOJQN-RBUKOAKNSA-N 1 3 392.613 3.647 20 0 GHADHO CC[N@H+](CCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1)CC1CC1 ZINC000771475242 875277773 /nfs/dbraw/zinc/27/77/73/875277773.db2.gz HKJCMRXYWMBYTN-JOCHJYFZSA-N 1 3 385.552 3.846 20 0 GHADHO CC[N@@H+](CCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1)CC1CC1 ZINC000771475242 875277783 /nfs/dbraw/zinc/27/77/83/875277783.db2.gz HKJCMRXYWMBYTN-JOCHJYFZSA-N 1 3 385.552 3.846 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000105441994 875297791 /nfs/dbraw/zinc/29/77/91/875297791.db2.gz QYAKQRVKVCTDLD-QGZVFWFLSA-N 1 3 375.944 3.963 20 0 GHADHO CCC(CC)Oc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000449822904 875482907 /nfs/dbraw/zinc/48/29/07/875482907.db2.gz YEWNOOLJRMVDRO-UHFFFAOYSA-N 1 3 387.568 3.542 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1ccccc1)CC2 ZINC001201596765 875748988 /nfs/dbraw/zinc/74/89/88/875748988.db2.gz KEUAAOHSTZXSND-HSZRJFAPSA-N 1 3 379.548 3.627 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)(N2CCCCC2)CC1 ZINC000172749836 875898320 /nfs/dbraw/zinc/89/83/20/875898320.db2.gz VKQVZKUIANUNKE-WOJBJXKFSA-N 1 3 389.971 3.510 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(N3CCCNC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850414488 876894835 /nfs/dbraw/zinc/89/48/35/876894835.db2.gz PCWDXUVASZSAPI-KNQAVFIVSA-N 1 3 392.547 3.749 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(N3CCCNC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850414488 876894843 /nfs/dbraw/zinc/89/48/43/876894843.db2.gz PCWDXUVASZSAPI-KNQAVFIVSA-N 1 3 392.547 3.749 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnn(-c2ccccc2)c1 ZINC000850517304 876988718 /nfs/dbraw/zinc/98/87/18/876988718.db2.gz YHSRJZZBFMWMAW-LJQANCHMSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000850580800 877054767 /nfs/dbraw/zinc/05/47/67/877054767.db2.gz REDPMTXEZQBCKF-YCRPNKLZSA-N 1 3 392.465 3.823 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000551778893 877795058 /nfs/dbraw/zinc/79/50/58/877795058.db2.gz JJRNXRUKUCYEPP-MOPGFXCFSA-N 1 3 383.502 3.957 20 0 GHADHO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000245547125 878086459 /nfs/dbraw/zinc/08/64/59/878086459.db2.gz XCBPVSNURWXLTQ-ZCNNSNEGSA-N 1 3 386.584 3.798 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cccc(CN(C)C)c3)C2)s1 ZINC000552003312 878141989 /nfs/dbraw/zinc/14/19/89/878141989.db2.gz YCQZIYFOCAFWKY-LJQANCHMSA-N 1 3 385.577 3.712 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cccc(CN(C)C)c3)C2)s1 ZINC000552003312 878142001 /nfs/dbraw/zinc/14/20/01/878142001.db2.gz YCQZIYFOCAFWKY-LJQANCHMSA-N 1 3 385.577 3.712 20 0 GHADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000176487551 878281219 /nfs/dbraw/zinc/28/12/19/878281219.db2.gz UOOVIVIQQPPRSP-UHFFFAOYSA-N 1 3 398.595 3.701 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(N4CCCC4)nc2)C3)cc1 ZINC000245660173 878313648 /nfs/dbraw/zinc/31/36/48/878313648.db2.gz FLDBNMZKRAZSGI-NUNAXRQHSA-N 1 3 376.548 3.967 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(CC(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)C2)C1 ZINC000788802061 878329130 /nfs/dbraw/zinc/32/91/30/878329130.db2.gz NTAUXKWMJLDMRX-IBGZPJMESA-N 1 3 377.573 3.773 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(CC(NC[C@@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000788802061 878329150 /nfs/dbraw/zinc/32/91/50/878329150.db2.gz NTAUXKWMJLDMRX-IBGZPJMESA-N 1 3 377.573 3.773 20 0 GHADHO O=C(CCCC[NH+]1CCCC1)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000772729712 878607025 /nfs/dbraw/zinc/60/70/25/878607025.db2.gz OBFMZVVPBADDOC-OAQYLSRUSA-N 1 3 395.551 3.535 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CC[NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000853093805 878809601 /nfs/dbraw/zinc/80/96/01/878809601.db2.gz RQVMSKYYWBPEKM-HXUWFJFHSA-N 1 3 379.589 3.735 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C[C@@H]2C1 ZINC000853093032 878810295 /nfs/dbraw/zinc/81/02/95/878810295.db2.gz ZTKYNRAESPPYMB-BURNTYAHSA-N 1 3 391.600 3.734 20 0 GHADHO O[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(F)cc1F ZINC000853120018 878827248 /nfs/dbraw/zinc/82/72/48/878827248.db2.gz DSRSQSRQZAFLLS-PGRDOPGGSA-N 1 3 386.486 3.890 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000246144321 879049275 /nfs/dbraw/zinc/04/92/75/879049275.db2.gz JRHKPUNZTKWSNP-IPMKNSEASA-N 1 3 392.613 3.645 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000246144321 879049286 /nfs/dbraw/zinc/04/92/86/879049286.db2.gz JRHKPUNZTKWSNP-IPMKNSEASA-N 1 3 392.613 3.645 20 0 GHADHO CC(C)(C)OC(=O)NC/C=C\CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000789866889 879325990 /nfs/dbraw/zinc/32/59/90/879325990.db2.gz SSNYWZSTZXDSLN-PLNGDYQASA-N 1 3 391.531 3.503 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000247348716 879977976 /nfs/dbraw/zinc/97/79/76/879977976.db2.gz JUEKTTPPOOEILA-MOJGAOKDSA-N 1 3 379.548 3.635 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000247348716 879977994 /nfs/dbraw/zinc/97/79/94/879977994.db2.gz JUEKTTPPOOEILA-MOJGAOKDSA-N 1 3 379.548 3.635 20 0 GHADHO CCc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000247921392 880086974 /nfs/dbraw/zinc/08/69/74/880086974.db2.gz BGHSVQBIXKXFQL-QFBILLFUSA-N 1 3 385.577 3.859 20 0 GHADHO CCc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000247921392 880086983 /nfs/dbraw/zinc/08/69/83/880086983.db2.gz BGHSVQBIXKXFQL-QFBILLFUSA-N 1 3 385.577 3.859 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000855345850 880470616 /nfs/dbraw/zinc/47/06/16/880470616.db2.gz IZDFPCAYFRTMLQ-HNNXBMFYSA-N 1 3 377.529 3.556 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000855345850 880470620 /nfs/dbraw/zinc/47/06/20/880470620.db2.gz IZDFPCAYFRTMLQ-HNNXBMFYSA-N 1 3 377.529 3.556 20 0 GHADHO CN(c1ccccc1CNCc1cccc(-n2ccnc2)c1)C1CC[NH+](C)CC1 ZINC000531848287 880600915 /nfs/dbraw/zinc/60/09/15/880600915.db2.gz HRAHKRWHRYXQOT-UHFFFAOYSA-N 1 3 389.547 3.693 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CN[C@H](CN1CCOCC1)c1ccccc1C ZINC000542477778 880647959 /nfs/dbraw/zinc/64/79/59/880647959.db2.gz HJJRINPAZLUNOI-RUZDIDTESA-N 1 3 395.591 4.000 20 0 GHADHO CN1Cc2c(NC(=O)C34CCC[NH+]3CCC4)cccc2[C@@H](c2ccccc2)C1 ZINC001183557805 912625376 /nfs/dbraw/zinc/62/53/76/912625376.db2.gz WDKYOIXRBVNJEW-HXUWFJFHSA-N 1 3 375.516 3.831 20 0 GHADHO CC[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)CCO1 ZINC001170214473 881218494 /nfs/dbraw/zinc/21/84/94/881218494.db2.gz PIOZGHFJKKBAAZ-IPMKNSEASA-N 1 3 378.582 3.761 20 0 GHADHO CC(=O)N(C)c1ccc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000858496706 883151538 /nfs/dbraw/zinc/15/15/38/883151538.db2.gz BBPCNPDIOYWTKK-LJQANCHMSA-N 1 3 379.548 3.855 20 0 GHADHO Fc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c(Cl)c1 ZINC001211911562 883812297 /nfs/dbraw/zinc/81/22/97/883812297.db2.gz RMGXQAJTELYMFD-QGZVFWFLSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c(Cl)c1 ZINC001211911562 883812309 /nfs/dbraw/zinc/81/23/09/883812309.db2.gz RMGXQAJTELYMFD-QGZVFWFLSA-N 1 3 398.869 3.718 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC000130185478 884291515 /nfs/dbraw/zinc/29/15/15/884291515.db2.gz URMLVUFYHHWMSQ-UHFFFAOYSA-N 1 3 389.902 3.595 20 0 GHADHO Clc1ccc2c(n1)CC[C@@H]2[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000806132197 884351822 /nfs/dbraw/zinc/35/18/22/884351822.db2.gz UADUTAMPXLEUHO-NRFANRHFSA-N 1 3 398.982 3.910 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@@H](C)C1 ZINC000249451694 912839254 /nfs/dbraw/zinc/83/92/54/912839254.db2.gz OOKCLKMBYXCODO-UWJYYQICSA-N 1 3 386.536 3.636 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455870762 884641875 /nfs/dbraw/zinc/64/18/75/884641875.db2.gz XJTZVZMHVIGUCJ-VGOFRKELSA-N 1 3 380.536 3.878 20 0 GHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303018999 885428109 /nfs/dbraw/zinc/42/81/09/885428109.db2.gz OIAUMVFRDBENAC-ZEQRLZLVSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303018999 885428116 /nfs/dbraw/zinc/42/81/16/885428116.db2.gz OIAUMVFRDBENAC-ZEQRLZLVSA-N 1 3 391.559 3.852 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000807440846 885473744 /nfs/dbraw/zinc/47/37/44/885473744.db2.gz RTSVSZFINPDEJT-FXAWDEMLSA-N 1 3 386.540 3.612 20 0 GHADHO O=C1COc2ccc(C[NH2+]CC3CCN(Cc4ccccc4Cl)CC3)cc2N1 ZINC000556819660 886261277 /nfs/dbraw/zinc/26/12/77/886261277.db2.gz RDTNZIYQBMMNAY-UHFFFAOYSA-N 1 3 399.922 3.673 20 0 GHADHO Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000132814355 887703477 /nfs/dbraw/zinc/70/34/77/887703477.db2.gz BLNHLEKTRDJTSH-ORAYPTAESA-N 1 3 397.332 3.666 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000050802183 887711515 /nfs/dbraw/zinc/71/15/15/887711515.db2.gz FTXAAHFWQOBYGD-UHFFFAOYSA-N 1 3 377.532 3.642 20 0 GHADHO CN1CCCC[C@@H]1CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000801543399 921114864 /nfs/dbraw/zinc/11/48/64/921114864.db2.gz BGZYGHXFCCMDEE-QGZVFWFLSA-N 1 3 386.458 3.743 20 0 GHADHO CSC1(CNCc2c(C)nn(-c3ccc(F)cc3)c2Cl)CC[NH+](C)CC1 ZINC000810170860 888230320 /nfs/dbraw/zinc/23/03/20/888230320.db2.gz UHKLCRGIXQJEKL-UHFFFAOYSA-N 1 3 396.963 3.890 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810568242 888629024 /nfs/dbraw/zinc/62/90/24/888629024.db2.gz XFSNXUFXBZMRHM-XMSQKQJNSA-N 1 3 381.580 3.702 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810568242 888629031 /nfs/dbraw/zinc/62/90/31/888629031.db2.gz XFSNXUFXBZMRHM-XMSQKQJNSA-N 1 3 381.580 3.702 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000465530362 889253236 /nfs/dbraw/zinc/25/32/36/889253236.db2.gz ZGKFYCZOSCZOKZ-HKUYNNGSSA-N 1 3 380.602 3.504 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000465530362 889253253 /nfs/dbraw/zinc/25/32/53/889253253.db2.gz ZGKFYCZOSCZOKZ-HKUYNNGSSA-N 1 3 380.602 3.504 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000125902729 890244185 /nfs/dbraw/zinc/24/41/85/890244185.db2.gz HBEGJNUDLNLPJK-JKSUJKDBSA-N 1 3 381.948 3.776 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125902729 890244204 /nfs/dbraw/zinc/24/42/04/890244204.db2.gz HBEGJNUDLNLPJK-JKSUJKDBSA-N 1 3 381.948 3.776 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125902729 890244223 /nfs/dbraw/zinc/24/42/23/890244223.db2.gz HBEGJNUDLNLPJK-JKSUJKDBSA-N 1 3 381.948 3.776 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000126706099 890657059 /nfs/dbraw/zinc/65/70/59/890657059.db2.gz BIXCNIHCHOYUBB-CABCVRRESA-N 1 3 386.353 3.512 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000248431399 891436497 /nfs/dbraw/zinc/43/64/97/891436497.db2.gz XMIQXUBFQDYFAN-AVRDEDQJSA-N 1 3 383.561 3.830 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000248431399 891436507 /nfs/dbraw/zinc/43/65/07/891436507.db2.gz XMIQXUBFQDYFAN-AVRDEDQJSA-N 1 3 383.561 3.830 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)[C@@H](C)c1nc2ccccc2s1 ZINC000873247451 891548286 /nfs/dbraw/zinc/54/82/86/891548286.db2.gz MVJCNVROPUVKPW-HUUCEWRRSA-N 1 3 392.532 3.618 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(SC(F)F)cc1 ZINC000873247666 891548543 /nfs/dbraw/zinc/54/85/43/891548543.db2.gz RPSNKDRSJALKAR-CYBMUJFWSA-N 1 3 389.475 3.892 20 0 GHADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000162748989 893117767 /nfs/dbraw/zinc/11/77/67/893117767.db2.gz SORUGLPMYQBKLU-SFHVURJKSA-N 1 3 389.565 3.621 20 0 GHADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000162748989 893117782 /nfs/dbraw/zinc/11/77/82/893117782.db2.gz SORUGLPMYQBKLU-SFHVURJKSA-N 1 3 389.565 3.621 20 0 GHADHO C[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[NH+]1CCCCC1 ZINC000918121457 893197603 /nfs/dbraw/zinc/19/76/03/893197603.db2.gz OMERAKCZEALJES-MOPGFXCFSA-N 1 3 392.613 3.695 20 0 GHADHO CCC[NH+]1CCC(C[NH2+]Cc2cc(Br)c([O-])c(OCC)c2)CC1 ZINC000459401649 893428712 /nfs/dbraw/zinc/42/87/12/893428712.db2.gz DNSUWQQNOZMJHL-UHFFFAOYSA-N 1 3 385.346 3.765 20 0 GHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934381 893440512 /nfs/dbraw/zinc/44/05/12/893440512.db2.gz HYFSCTQJNDNTEM-UTKZUKDTSA-N 1 3 387.568 3.752 20 0 GHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934381 893440519 /nfs/dbraw/zinc/44/05/19/893440519.db2.gz HYFSCTQJNDNTEM-UTKZUKDTSA-N 1 3 387.568 3.752 20 0 GHADHO CCOc1cc(C[NH2+]CCC2CC[NH+](CC)CC2)cc(Br)c1[O-] ZINC000459420955 893500068 /nfs/dbraw/zinc/50/00/68/893500068.db2.gz LOYIFACKGCQVFV-UHFFFAOYSA-N 1 3 385.346 3.765 20 0 GHADHO C[NH+](C)CCOC1CCN(Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000536676335 893514893 /nfs/dbraw/zinc/51/48/93/893514893.db2.gz MOZSMKXFEREHSG-UHFFFAOYSA-N 1 3 396.579 3.768 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)ccn1 ZINC000877646090 893741575 /nfs/dbraw/zinc/74/15/75/893741575.db2.gz CTOIRZDSCDNPRF-NRFANRHFSA-N 1 3 391.519 3.518 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)ccn1 ZINC000877646090 893741587 /nfs/dbraw/zinc/74/15/87/893741587.db2.gz CTOIRZDSCDNPRF-NRFANRHFSA-N 1 3 391.519 3.518 20 0 GHADHO OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@H]1c1ccccc1 ZINC000563654597 894029590 /nfs/dbraw/zinc/02/95/90/894029590.db2.gz FDYAQXYFPXFJQH-NHTNDUFYSA-N 1 3 376.544 3.653 20 0 GHADHO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000563659258 894034447 /nfs/dbraw/zinc/03/44/47/894034447.db2.gz ZMCFKFRTFYQUQC-YFNKSVMNSA-N 1 3 380.532 3.681 20 0 GHADHO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000563659258 894034469 /nfs/dbraw/zinc/03/44/69/894034469.db2.gz ZMCFKFRTFYQUQC-YFNKSVMNSA-N 1 3 380.532 3.681 20 0 GHADHO CC(C)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537016629 894195605 /nfs/dbraw/zinc/19/56/05/894195605.db2.gz QYZMMNIZRWMVJN-GQIGUUNPSA-N 1 3 375.513 3.710 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000537304505 894739452 /nfs/dbraw/zinc/73/94/52/894739452.db2.gz QBMWYXBDAINFCS-XHSDSOJGSA-N 1 3 399.373 3.998 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)CCC[NH+]2CCCC2)c2cccs2)CC1 ZINC000537398822 894900694 /nfs/dbraw/zinc/90/06/94/894900694.db2.gz OMAOQBVBLCGDCN-IBGZPJMESA-N 1 3 392.613 3.648 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2)CC1 ZINC000816821894 895113760 /nfs/dbraw/zinc/11/37/60/895113760.db2.gz PXZIRINKZUXCQW-UHFFFAOYSA-N 1 3 399.366 3.710 20 0 GHADHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)c1c(F)cccc1F ZINC000817918666 895961299 /nfs/dbraw/zinc/96/12/99/895961299.db2.gz MIOQSYROYXNZMC-KKXYHZGYSA-N 1 3 388.458 3.622 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(CCC(C)C)cn3)CC2)CC1 ZINC000566983918 896768183 /nfs/dbraw/zinc/76/81/83/896768183.db2.gz UKVFLLBEYCMXIW-UHFFFAOYSA-N 1 3 386.584 3.805 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000796284598 914135981 /nfs/dbraw/zinc/13/59/81/914135981.db2.gz XOSKKCAORSTUNO-UVHRUJRTSA-N 1 3 397.604 3.549 20 0 GHADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc(Cl)cc1Cl ZINC000567684215 897335708 /nfs/dbraw/zinc/33/57/08/897335708.db2.gz DVNVFQNTKDTNJC-KRWDZBQOSA-N 1 3 387.351 3.730 20 0 GHADHO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000568521124 897904828 /nfs/dbraw/zinc/90/48/28/897904828.db2.gz DTRTXSUOCFJDLF-UHFFFAOYSA-N 1 3 394.563 3.662 20 0 GHADHO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000568521124 897904836 /nfs/dbraw/zinc/90/48/36/897904836.db2.gz DTRTXSUOCFJDLF-UHFFFAOYSA-N 1 3 394.563 3.662 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCCCc3ccccc3)CC2)CC1 ZINC000569865104 898993137 /nfs/dbraw/zinc/99/31/37/898993137.db2.gz UJBQRONYJBKVQP-UHFFFAOYSA-N 1 3 385.596 3.664 20 0 GHADHO CC(C)CC(=O)N1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886516377 901112820 /nfs/dbraw/zinc/11/28/20/901112820.db2.gz FUXMHHFKRDEIID-PMVMPFDFSA-N 1 3 383.580 3.666 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccccc1Cl ZINC000886527022 901124737 /nfs/dbraw/zinc/12/47/37/901124737.db2.gz XDAAYXHGPAQWCB-ZCNNSNEGSA-N 1 3 397.950 3.713 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1Cl ZINC000886527022 901124743 /nfs/dbraw/zinc/12/47/43/901124743.db2.gz XDAAYXHGPAQWCB-ZCNNSNEGSA-N 1 3 397.950 3.713 20 0 GHADHO O=C(NCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccccc1Cl ZINC000886527022 901124749 /nfs/dbraw/zinc/12/47/49/901124749.db2.gz XDAAYXHGPAQWCB-ZCNNSNEGSA-N 1 3 397.950 3.713 20 0 GHADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000575783359 901295364 /nfs/dbraw/zinc/29/53/64/901295364.db2.gz CHLRORIDDASGLD-PKTZIBPZSA-N 1 3 393.531 3.657 20 0 GHADHO Cc1nccn1-c1ccc([C@@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523748 901434320 /nfs/dbraw/zinc/43/43/20/901434320.db2.gz ZKSOOGGARFKFBE-ZQMYSKGWSA-N 1 3 382.552 3.599 20 0 GHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523748 901434325 /nfs/dbraw/zinc/43/43/25/901434325.db2.gz ZKSOOGGARFKFBE-ZQMYSKGWSA-N 1 3 382.552 3.599 20 0 GHADHO COc1cc(NC(=O)CCNCC[C@@H](C)[NH+]2CCCCC2)c(OC)cc1Cl ZINC000576747835 902232926 /nfs/dbraw/zinc/23/29/26/902232926.db2.gz VRABUUCPBYPSIQ-OAHLLOKOSA-N 1 3 397.947 3.540 20 0 GHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000576861301 902310083 /nfs/dbraw/zinc/31/00/83/902310083.db2.gz UOJFAPLCIXLHLH-WDJPJFJCSA-N 1 3 392.499 3.754 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2Cl)[C@H]1c1cccs1 ZINC000578127561 903543475 /nfs/dbraw/zinc/54/34/75/903543475.db2.gz DITUJXJYIODGPA-GUXCAODWSA-N 1 3 394.968 3.814 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2Cl)[C@H]1c1cccs1 ZINC000578127561 903543487 /nfs/dbraw/zinc/54/34/87/903543487.db2.gz DITUJXJYIODGPA-GUXCAODWSA-N 1 3 394.968 3.814 20 0 GHADHO FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716721300 904698469 /nfs/dbraw/zinc/69/84/69/904698469.db2.gz ZWUJMXWADYSULA-WCIQWLHISA-N 1 3 381.486 3.513 20 0 GHADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OC(=O)c1cccs1 ZINC001137256737 904722739 /nfs/dbraw/zinc/72/27/39/904722739.db2.gz UDJRFQDNYHNIPE-UHFFFAOYSA-N 1 3 388.533 3.750 20 0 GHADHO CN1C(C)(C)CC([NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1(C)C ZINC001171619817 904886160 /nfs/dbraw/zinc/88/61/60/904886160.db2.gz RIRQJZTZTIGXIJ-UHFFFAOYSA-N 1 3 375.532 3.671 20 0 GHADHO C[C@@H](CNC(=O)OC(C)(C)C)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967447 905169018 /nfs/dbraw/zinc/16/90/18/905169018.db2.gz ACOPMPFQJHVWAQ-HKUYNNGSSA-N 1 3 375.557 3.932 20 0 GHADHO C[C@@H](CNC(=O)OC(C)(C)C)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967447 905169023 /nfs/dbraw/zinc/16/90/23/905169023.db2.gz ACOPMPFQJHVWAQ-HKUYNNGSSA-N 1 3 375.557 3.932 20 0 GHADHO CC1(C)C[C@@H](N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001171963975 905170999 /nfs/dbraw/zinc/17/09/99/905170999.db2.gz GGZSWBMRMKLUTC-SKPFHBQLSA-N 1 3 393.531 3.527 20 0 GHADHO CC1(C)C[C@@H](N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)CC[N@H+]1Cc1ccccc1 ZINC001171963975 905171005 /nfs/dbraw/zinc/17/10/05/905171005.db2.gz GGZSWBMRMKLUTC-SKPFHBQLSA-N 1 3 393.531 3.527 20 0 GHADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171988161 905251894 /nfs/dbraw/zinc/25/18/94/905251894.db2.gz BQPJBCCEAQRFSR-HKUYNNGSSA-N 1 3 380.374 3.880 20 0 GHADHO CCN1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1=O ZINC001172029460 905264983 /nfs/dbraw/zinc/26/49/83/905264983.db2.gz BKSLMRDZWQADAC-VXNXHJTFSA-N 1 3 391.559 3.645 20 0 GHADHO CCN1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1=O ZINC001172029460 905264990 /nfs/dbraw/zinc/26/49/90/905264990.db2.gz BKSLMRDZWQADAC-VXNXHJTFSA-N 1 3 391.559 3.645 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001172105625 905353349 /nfs/dbraw/zinc/35/33/49/905353349.db2.gz JCYFHKYEYYGBPZ-LTFPLMDUSA-N 1 3 377.573 3.581 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001172605369 905665752 /nfs/dbraw/zinc/66/57/52/905665752.db2.gz OYZZPMKKQLUJMR-MJGOQNOKSA-N 1 3 378.944 3.873 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584940 921165532 /nfs/dbraw/zinc/16/55/32/921165532.db2.gz OBMRYPXGDJXISD-GMAHTHKFSA-N 1 3 398.547 3.628 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584940 921165538 /nfs/dbraw/zinc/16/55/38/921165538.db2.gz OBMRYPXGDJXISD-GMAHTHKFSA-N 1 3 398.547 3.628 20 0 GHADHO COC(=O)[C@H]1CCC[C@H](N2CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172609957 905669053 /nfs/dbraw/zinc/66/90/53/905669053.db2.gz SKRXASKDRMVWQV-WMZOPIPTSA-N 1 3 398.469 3.773 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2CN)CCN1C(=O)OC(C)(C)C ZINC001172580259 905681096 /nfs/dbraw/zinc/68/10/96/905681096.db2.gz JASQOECFRHJMOY-HBFSDRIKSA-N 1 3 391.531 3.998 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@H]2CN)CCN1C(=O)OC(C)(C)C ZINC001172580259 905681101 /nfs/dbraw/zinc/68/11/01/905681101.db2.gz JASQOECFRHJMOY-HBFSDRIKSA-N 1 3 391.531 3.998 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CCC([NH3+])(CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001172629715 905691587 /nfs/dbraw/zinc/69/15/87/905691587.db2.gz BLEHOPIDSMZWAU-RBUKOAKNSA-N 1 3 397.604 3.775 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000175929382 905707422 /nfs/dbraw/zinc/70/74/22/905707422.db2.gz IZOVQLHFLHHHCY-UHFFFAOYSA-N 1 3 386.584 3.555 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)CC1 ZINC001172779145 905820298 /nfs/dbraw/zinc/82/02/98/905820298.db2.gz BFNQWPQWKISPSU-RTBURBONSA-N 1 3 381.520 3.787 20 0 GHADHO Cc1cccc([C@H]2CCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000176381580 905833070 /nfs/dbraw/zinc/83/30/70/905833070.db2.gz XTIYKGHSJWSUHM-HSZRJFAPSA-N 1 3 398.595 3.709 20 0 GHADHO [NH3+]C1(Cc2cccc(Cl)c2)CCN(C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173668009 906605279 /nfs/dbraw/zinc/60/52/79/906605279.db2.gz ZRVNAUXZVVRGBZ-UHFFFAOYSA-N 1 3 389.893 3.703 20 0 GHADHO CCCOc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1F ZINC000629502407 906838506 /nfs/dbraw/zinc/83/85/06/906838506.db2.gz YTFSMVPYMIFEBI-UHFFFAOYSA-N 1 3 391.531 3.749 20 0 GHADHO Cc1cc(Nc2ccncc2C)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001174537358 907076558 /nfs/dbraw/zinc/07/65/58/907076558.db2.gz HKTKCCKRRPAIPN-UHFFFAOYSA-N 1 3 375.520 3.973 20 0 GHADHO COc1ccccc1N1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000631172819 907613508 /nfs/dbraw/zinc/61/35/08/907613508.db2.gz WBZYCRDRXYGPBO-UHFFFAOYSA-N 1 3 394.563 3.561 20 0 GHADHO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000189271209 908302871 /nfs/dbraw/zinc/30/28/71/908302871.db2.gz CPPUITIEKUSWLQ-UHFFFAOYSA-N 1 3 395.547 3.590 20 0 GHADHO Cc1c([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cnn1C(C)(C)C ZINC000191269949 908603102 /nfs/dbraw/zinc/60/31/02/908603102.db2.gz BURJHRZWUNDVDB-QGZVFWFLSA-N 1 3 384.568 3.754 20 0 GHADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(C(=O)NC3CC3)cc2)[C@H]1c1cccs1 ZINC001177920293 908804219 /nfs/dbraw/zinc/80/42/19/908804219.db2.gz RTNQRZOMXLFLQX-RXVVDRJESA-N 1 3 383.561 3.813 20 0 GHADHO C[N@H+]1CCC[C@@H](CNCc2ccc(C(=O)NC3CC3)cc2)[C@H]1c1cccs1 ZINC001177920293 908804236 /nfs/dbraw/zinc/80/42/36/908804236.db2.gz RTNQRZOMXLFLQX-RXVVDRJESA-N 1 3 383.561 3.813 20 0 GHADHO COCc1ccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000266203580 909034392 /nfs/dbraw/zinc/03/43/92/909034392.db2.gz MBCIYXWPQRUXPW-UHFFFAOYSA-N 1 3 398.547 3.612 20 0 GHADHO COCc1ccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000266203580 909034414 /nfs/dbraw/zinc/03/44/14/909034414.db2.gz MBCIYXWPQRUXPW-UHFFFAOYSA-N 1 3 398.547 3.612 20 0 GHADHO OC1(CNCc2ccc(OC(F)F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC001178962846 909333647 /nfs/dbraw/zinc/33/36/47/909333647.db2.gz TVMGAVZOLVOPON-UHFFFAOYSA-N 1 3 394.437 3.544 20 0 GHADHO COc1cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc(OC)c1OC ZINC000268712654 909983340 /nfs/dbraw/zinc/98/33/40/909983340.db2.gz FKACJYKNYJIDOP-INIZCTEOSA-N 1 3 388.508 3.504 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000268811398 910029213 /nfs/dbraw/zinc/02/92/13/910029213.db2.gz UDTHQMIJHNAVIZ-XMSQKQJNSA-N 1 3 375.520 3.718 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000268811398 910029219 /nfs/dbraw/zinc/02/92/19/910029219.db2.gz UDTHQMIJHNAVIZ-XMSQKQJNSA-N 1 3 375.520 3.718 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cn1 ZINC000268811398 910029228 /nfs/dbraw/zinc/02/92/28/910029228.db2.gz UDTHQMIJHNAVIZ-XMSQKQJNSA-N 1 3 375.520 3.718 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000246011382 910046400 /nfs/dbraw/zinc/04/64/00/910046400.db2.gz LAGSAOVWQWBRAA-UGKGYDQZSA-N 1 3 385.552 3.988 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000246011382 910046416 /nfs/dbraw/zinc/04/64/16/910046416.db2.gz LAGSAOVWQWBRAA-UGKGYDQZSA-N 1 3 385.552 3.988 20 0 GHADHO CN(C)Cc1ccc(C(N)=O)cc1N[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638257934 910098872 /nfs/dbraw/zinc/09/88/72/910098872.db2.gz DCDCNQDNPXZKHK-REWPJTCUSA-N 1 3 392.547 3.627 20 0 GHADHO CN(C)Cc1ccc(C(N)=O)cc1N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638257934 910098888 /nfs/dbraw/zinc/09/88/88/910098888.db2.gz DCDCNQDNPXZKHK-REWPJTCUSA-N 1 3 392.547 3.627 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182471464 911790597 /nfs/dbraw/zinc/79/05/97/911790597.db2.gz XZZLKOLNAYVUKO-GGAORHGYSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CCC[C@@H](n3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182471464 911790608 /nfs/dbraw/zinc/79/06/08/911790608.db2.gz XZZLKOLNAYVUKO-GGAORHGYSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@]1(CN2CCC[C@@H](n3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001182471464 911790614 /nfs/dbraw/zinc/79/06/14/911790614.db2.gz XZZLKOLNAYVUKO-GGAORHGYSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@]1(CN2CCC[C@@H](n3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182471464 911790629 /nfs/dbraw/zinc/79/06/29/911790629.db2.gz XZZLKOLNAYVUKO-GGAORHGYSA-N 1 3 381.568 3.853 20 0 GHADHO CN(C)C(=O)c1cccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000293181043 916050816 /nfs/dbraw/zinc/05/08/16/916050816.db2.gz DPRRQDVWDIPSKN-UHFFFAOYSA-N 1 3 391.559 3.877 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1CN1CCCCC1 ZINC000775361104 917158393 /nfs/dbraw/zinc/15/83/93/917158393.db2.gz BHOGTFHBGUURLE-GOSISDBHSA-N 1 3 399.579 3.733 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000650707270 917243985 /nfs/dbraw/zinc/24/39/85/917243985.db2.gz BZDHDRGOTVARBC-CSODHUTKSA-N 1 3 377.960 3.659 20 0 GHADHO CN1c2ccc(C[N@@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446060 917356162 /nfs/dbraw/zinc/35/61/62/917356162.db2.gz YWSLMSMPSJHOGP-VWLOTQADSA-N 1 3 389.543 3.694 20 0 GHADHO CN1c2ccc(C[N@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446060 917356171 /nfs/dbraw/zinc/35/61/71/917356171.db2.gz YWSLMSMPSJHOGP-VWLOTQADSA-N 1 3 389.543 3.694 20 0 GHADHO COc1ccc([C@@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1C[NH+]1CCCCC1 ZINC000775412265 917571269 /nfs/dbraw/zinc/57/12/69/917571269.db2.gz LURGETJTHZRAMU-XLIONFOSSA-N 1 3 387.568 3.731 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363548160 918398368 /nfs/dbraw/zinc/39/83/68/918398368.db2.gz WTQWAZMZGRLUBO-FVQBIDKESA-N 1 3 385.430 3.519 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363548160 918398397 /nfs/dbraw/zinc/39/83/97/918398397.db2.gz WTQWAZMZGRLUBO-FVQBIDKESA-N 1 3 385.430 3.519 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3CCC(C)C)cc2)CC1 ZINC001192174231 918523360 /nfs/dbraw/zinc/52/33/60/918523360.db2.gz PRVAQLHTOHYYHV-NRFANRHFSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3CCC(C)C)cc2)CC1 ZINC001192174231 918523373 /nfs/dbraw/zinc/52/33/73/918523373.db2.gz PRVAQLHTOHYYHV-NRFANRHFSA-N 1 3 386.584 3.668 20 0 GHADHO COC[C@]1(C)CC[N@@H+](Cc2ccc(F)c(CN3CC[C@](C)(COC)C3)c2)C1 ZINC000296803657 918765285 /nfs/dbraw/zinc/76/52/85/918765285.db2.gz RBUHXXDSLPRXHX-YADHBBJMSA-N 1 3 378.532 3.543 20 0 GHADHO COC[C@]1(C)CC[N@H+](Cc2ccc(F)c(CN3CC[C@](C)(COC)C3)c2)C1 ZINC000296803657 918765467 /nfs/dbraw/zinc/76/54/67/918765467.db2.gz RBUHXXDSLPRXHX-YADHBBJMSA-N 1 3 378.532 3.543 20 0 GHADHO CNc1ccc(C)cc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000902184337 921962237 /nfs/dbraw/zinc/96/22/37/921962237.db2.gz PUWPLMFNKBPVHS-UHFFFAOYSA-N 1 3 397.563 3.816 20 0 GHADHO CNc1ccc(C)cc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000902184337 921962253 /nfs/dbraw/zinc/96/22/53/921962253.db2.gz PUWPLMFNKBPVHS-UHFFFAOYSA-N 1 3 397.563 3.816 20 0 GHADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902504258 922244186 /nfs/dbraw/zinc/24/41/86/922244186.db2.gz NFXLWSOTWKOAJC-NYDSKATKSA-N 1 3 379.504 3.558 20 0 GHADHO c1ccc([C@@H](CCc2cccnc2)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000902808177 922509142 /nfs/dbraw/zinc/50/91/42/922509142.db2.gz DRXODJRQHSBSJQ-ZJSXRUAMSA-N 1 3 379.548 3.846 20 0 GHADHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000903026405 922716583 /nfs/dbraw/zinc/71/65/83/922716583.db2.gz ZLFTYZXGXJXBEF-INIZCTEOSA-N 1 3 393.453 3.778 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903218753 922863881 /nfs/dbraw/zinc/86/38/81/922863881.db2.gz DBKOYFRNOPDFKW-DUZACMNTSA-N 1 3 399.526 3.626 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903218753 922863885 /nfs/dbraw/zinc/86/38/85/922863885.db2.gz DBKOYFRNOPDFKW-DUZACMNTSA-N 1 3 399.526 3.626 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)ccc1OC ZINC000903350802 922949942 /nfs/dbraw/zinc/94/99/42/922949942.db2.gz YTWNOADSXZQCSD-GOSISDBHSA-N 1 3 390.568 3.509 20 0 GHADHO Cc1ncsc1CCN(C)[C@@H]1CCC[N@H+](CCc2scnc2C)CC1 ZINC000371098461 924425404 /nfs/dbraw/zinc/42/54/04/924425404.db2.gz HCSROMPLXHVPDA-QGZVFWFLSA-N 1 3 378.611 3.788 20 0 GHADHO Cc1ncsc1CCN(C)[C@@H]1CCC[N@@H+](CCc2scnc2C)CC1 ZINC000371098461 924425409 /nfs/dbraw/zinc/42/54/09/924425409.db2.gz HCSROMPLXHVPDA-QGZVFWFLSA-N 1 3 378.611 3.788 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806745 924505621 /nfs/dbraw/zinc/50/56/21/924505621.db2.gz MGGTVGGPTVHFJK-PMVMPFDFSA-N 1 3 387.612 3.766 20 0 GHADHO c1ccc(C[N@H+]2CCC3(C2)CCN(C[C@@H]2COc4ccccc4O2)CC3)cc1 ZINC000677819736 924509641 /nfs/dbraw/zinc/50/96/41/924509641.db2.gz OJOWYQCXEAFPQL-OAQYLSRUSA-N 1 3 378.516 3.815 20 0 GHADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(C[C@@H]2COc4ccccc4O2)CC3)cc1 ZINC000677819736 924509646 /nfs/dbraw/zinc/50/96/46/924509646.db2.gz OJOWYQCXEAFPQL-OAQYLSRUSA-N 1 3 378.516 3.815 20 0 GHADHO O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400096 925124464 /nfs/dbraw/zinc/12/44/64/925124464.db2.gz KWMKVYKADOJKKT-MALNDZBISA-N 1 3 381.564 3.705 20 0 GHADHO C[NH+]1CCC2(CN(Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)CC1 ZINC001137446913 925817198 /nfs/dbraw/zinc/81/71/98/925817198.db2.gz OWZMGZPSQGUAGY-UHFFFAOYSA-N 1 3 385.552 3.507 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000411327808 926313762 /nfs/dbraw/zinc/31/37/62/926313762.db2.gz RYPVXVVCVXDSPW-QHCPKHFHSA-N 1 3 379.548 3.549 20 0 GHADHO O=C(NCCCN1CCc2ccccc2C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751080449 928018562 /nfs/dbraw/zinc/01/85/62/928018562.db2.gz NINPRUVAYXITHQ-UHFFFAOYSA-N 1 3 398.595 3.531 20 0 GHADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751093749 928025517 /nfs/dbraw/zinc/02/55/17/928025517.db2.gz UDLZMOFNPJOLBB-XPPIMPSXSA-N 1 3 398.595 3.747 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000544624211 929357554 /nfs/dbraw/zinc/35/75/54/929357554.db2.gz NOGIOBWDKHHWEF-LPHOPBHVSA-N 1 3 380.602 3.503 20 0 GHADHO CCN1CC[C@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@@H](C)C1 ZINC000469208852 929691294 /nfs/dbraw/zinc/69/12/94/929691294.db2.gz XAAMBGIXXZIAAE-WMZOPIPTSA-N 1 3 385.508 3.711 20 0 GHADHO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000469761506 930143489 /nfs/dbraw/zinc/14/34/89/930143489.db2.gz BELQTWOGGOUUOU-NJDAHSKKSA-N 1 3 393.575 3.952 20 0 GHADHO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469763468 930145776 /nfs/dbraw/zinc/14/57/76/930145776.db2.gz JTPXEMQCDBZXHU-YRWFTTLQSA-N 1 3 399.501 3.532 20 0 GHADHO CN1CC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000759517871 930391722 /nfs/dbraw/zinc/39/17/22/930391722.db2.gz GIUHOKKLUJUYTQ-FCHUYYIVSA-N 1 3 386.584 3.777 20 0 GHADHO c1ccc(CN2C[C@@H]3C[N@H+](CCCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000471017733 931098414 /nfs/dbraw/zinc/09/84/14/931098414.db2.gz JPHPZVLECMRFTH-SZPZYZBQSA-N 1 3 388.515 3.733 20 0 GHADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000471017733 931098421 /nfs/dbraw/zinc/09/84/21/931098421.db2.gz JPHPZVLECMRFTH-SZPZYZBQSA-N 1 3 388.515 3.733 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000557259024 931304809 /nfs/dbraw/zinc/30/48/09/931304809.db2.gz HTLVQNCAWCKYJO-RXVVDRJESA-N 1 3 381.520 3.667 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000557259024 931304815 /nfs/dbraw/zinc/30/48/15/931304815.db2.gz HTLVQNCAWCKYJO-RXVVDRJESA-N 1 3 381.520 3.667 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)cc2)CC1 ZINC000782761015 931328236 /nfs/dbraw/zinc/32/82/36/931328236.db2.gz XAUYXIKFUBMNTM-VWLOTQADSA-N 1 3 393.575 3.692 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)CC2)CC1 ZINC000557634525 931585870 /nfs/dbraw/zinc/58/58/70/931585870.db2.gz HXTMCPVWLVNNCC-NQIIRXRSSA-N 1 3 387.568 3.776 20 0 GHADHO CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925684888 931876812 /nfs/dbraw/zinc/87/68/12/931876812.db2.gz DPMSKEPJFQJECO-IBGZPJMESA-N 1 3 380.941 3.703 20 0 GHADHO Cc1ccc([C@@H](NCC2CC[NH+](C3CCOCC3)CC2)c2ccccn2)cc1 ZINC000926677004 932269788 /nfs/dbraw/zinc/26/97/88/932269788.db2.gz NDYQKAWCQYCINZ-XMMPIXPASA-N 1 3 379.548 3.960 20 0 GHADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879949 932334536 /nfs/dbraw/zinc/33/45/36/932334536.db2.gz MZOQXHFSQYDQJS-NXQUOZRTSA-N 1 3 376.488 3.897 20 0 GHADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879949 932334539 /nfs/dbraw/zinc/33/45/39/932334539.db2.gz MZOQXHFSQYDQJS-NXQUOZRTSA-N 1 3 376.488 3.897 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cn2ccccc2n1 ZINC000559920834 932955334 /nfs/dbraw/zinc/95/53/34/932955334.db2.gz KCJJZOPEPVOUON-HXUWFJFHSA-N 1 3 377.536 3.587 20 0 GHADHO CCOC(=O)COc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC001116436790 933557685 /nfs/dbraw/zinc/55/76/85/933557685.db2.gz BMJCLUJEUSQLLM-UHFFFAOYSA-N 1 3 388.552 3.717 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561060509 933828235 /nfs/dbraw/zinc/82/82/35/933828235.db2.gz LVMIOJGWVVOPON-UXHICEINSA-N 1 3 383.561 3.523 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561060509 933828243 /nfs/dbraw/zinc/82/82/43/933828243.db2.gz LVMIOJGWVVOPON-UXHICEINSA-N 1 3 383.561 3.523 20 0 GHADHO CC(=O)Nc1cc(Br)ccc1CN1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001119987993 934431360 /nfs/dbraw/zinc/43/13/60/934431360.db2.gz DFPUVZBXNHSTKR-ZVZYQTTQSA-N 1 3 394.357 3.570 20 0 GHADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC001120469499 934466439 /nfs/dbraw/zinc/46/64/39/934466439.db2.gz YZHRUSBRADUHPQ-COPCDDAFSA-N 1 3 380.532 3.729 20 0 GHADHO Cc1nn(C)c(Cl)c1CN1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001137747749 935767351 /nfs/dbraw/zinc/76/73/51/935767351.db2.gz VFSKNTPAQPUCFD-UHFFFAOYSA-N 1 3 387.959 3.654 20 0 GHADHO Cc1nn(C)c(Cl)c1CN1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001137747749 935767353 /nfs/dbraw/zinc/76/73/53/935767353.db2.gz VFSKNTPAQPUCFD-UHFFFAOYSA-N 1 3 387.959 3.654 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc(Cl)n1 ZINC000829597865 935832777 /nfs/dbraw/zinc/83/27/77/935832777.db2.gz BOYJLQVPKFERAI-ZIFCJYIRSA-N 1 3 392.975 3.546 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(Cl)n1 ZINC000829597865 935832781 /nfs/dbraw/zinc/83/27/81/935832781.db2.gz BOYJLQVPKFERAI-ZIFCJYIRSA-N 1 3 392.975 3.546 20 0 GHADHO CCCCN(CC)[C@H](C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)c1ccccc1 ZINC001220788950 1032123104 /nfs/dbraw/zinc/12/31/04/1032123104.db2.gz HMHAYEQNCIKESA-ZLNRFVROSA-N 1 3 394.563 3.712 20 0 GHADHO CC1CCN(C[C@H](O)C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000545460804 1015895244 /nfs/dbraw/zinc/89/52/44/1015895244.db2.gz LUICXKQTUMZDFD-YADHBBJMSA-N 1 3 387.955 3.701 20 0 GHADHO CCc1ccc(CNC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000469765462 1016618271 /nfs/dbraw/zinc/61/82/71/1016618271.db2.gz STSFOPAHGFPLBP-CYGODWOOSA-N 1 3 399.604 3.673 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H]1CCOc2ccccc21 ZINC001227160862 1032301071 /nfs/dbraw/zinc/30/10/71/1032301071.db2.gz NQTQIYRYWSXLTJ-QHCPKHFHSA-N 1 3 397.563 3.774 20 0 GHADHO Cc1ccc([C@@H](C(=O)NCCP(C(C)C)C(C)C)N2CCC[NH2+]CC2)cc1 ZINC001221254874 1032349931 /nfs/dbraw/zinc/34/99/31/1032349931.db2.gz YHQKWXURXMECMG-NRFANRHFSA-N 1 3 391.540 3.746 20 0 GHADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1OCCO ZINC000559741124 1017494997 /nfs/dbraw/zinc/49/49/97/1017494997.db2.gz ZEAUNLISNRXCCS-IOMROCGXSA-N 1 3 384.520 3.552 20 0 GHADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1OCCO ZINC000559741124 1017495005 /nfs/dbraw/zinc/49/50/05/1017495005.db2.gz ZEAUNLISNRXCCS-IOMROCGXSA-N 1 3 384.520 3.552 20 0 GHADHO Cc1cccnc1O[C@H]1CCCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204271405 1032715161 /nfs/dbraw/zinc/71/51/61/1032715161.db2.gz MDBHBVBSBPURKP-QFIPXVFZSA-N 1 3 383.536 3.764 20 0 GHADHO Cc1cccc(O[C@H]2CCCN(Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204273166 1032716795 /nfs/dbraw/zinc/71/67/95/1032716795.db2.gz ZPUBZIJSNHXAFW-QFIPXVFZSA-N 1 3 383.536 3.764 20 0 GHADHO Cc1ccccc1[C@@H](OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000564858230 1019118064 /nfs/dbraw/zinc/11/80/64/1019118064.db2.gz ASQVIFDJBIACLS-ZGZMIOHPSA-N 1 3 394.559 3.677 20 0 GHADHO Cc1ccccc1[C@@H](OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000564858230 1019118070 /nfs/dbraw/zinc/11/80/70/1019118070.db2.gz ASQVIFDJBIACLS-ZGZMIOHPSA-N 1 3 394.559 3.677 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4cccc(C)c4)C3)CC2)CC1 ZINC000571654232 1019696244 /nfs/dbraw/zinc/69/62/44/1019696244.db2.gz KZONHVQDAJSGNB-JOCHJYFZSA-N 1 3 383.580 3.507 20 0 GHADHO Clc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2c(n1)CNCC2 ZINC001156315341 1032976545 /nfs/dbraw/zinc/97/65/45/1032976545.db2.gz AURWMYLHMYWYCR-QXAKKESOSA-N 1 3 382.939 3.703 20 0 GHADHO Clc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2c(n1)CNCC2 ZINC001156315341 1032976548 /nfs/dbraw/zinc/97/65/48/1032976548.db2.gz AURWMYLHMYWYCR-QXAKKESOSA-N 1 3 382.939 3.703 20 0 GHADHO Cc1c(C[C@@H](CN)C[NH2+]CC[C@@H](C)c2cccc(C(F)(F)F)c2)cnn1C ZINC000903922573 1021653153 /nfs/dbraw/zinc/65/31/53/1021653153.db2.gz ZTKOAJZUTZGFKH-ZBFHGGJFSA-N 1 3 382.474 3.648 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4c(C)nn(C)c4C)CC3)CC2)c1 ZINC001203050953 1022048945 /nfs/dbraw/zinc/04/89/45/1022048945.db2.gz IENZRKROXOXLSN-UHFFFAOYSA-N 1 3 396.579 3.924 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC001204762829 1033076374 /nfs/dbraw/zinc/07/63/74/1033076374.db2.gz BQYVKSLYYMJCMO-NSHDSACASA-N 1 3 379.307 3.526 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC001204762829 1033076391 /nfs/dbraw/zinc/07/63/91/1033076391.db2.gz BQYVKSLYYMJCMO-NSHDSACASA-N 1 3 379.307 3.526 20 0 GHADHO Cc1cccc([C@@H]2CCCN2Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)c1 ZINC001204849385 1033119459 /nfs/dbraw/zinc/11/94/59/1033119459.db2.gz ZCKBNNVUKRTJBJ-QFIPXVFZSA-N 1 3 375.520 3.842 20 0 GHADHO CCOc1ccc2ccccc2c1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001138444995 1024862093 /nfs/dbraw/zinc/86/20/93/1024862093.db2.gz QOPROTITWPMYHO-UHFFFAOYSA-N 1 3 381.564 3.698 20 0 GHADHO CN1CCN(C2(c3ccc(Nc4ccc(OCC[NH+](C)C)cc4)cc3)CC2)CC1 ZINC001205107096 1033255162 /nfs/dbraw/zinc/25/51/62/1033255162.db2.gz CPZNGCWLEPNMLA-UHFFFAOYSA-N 1 3 394.563 3.607 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578903 1025058609 /nfs/dbraw/zinc/05/86/09/1025058609.db2.gz FHDMUYHZUDHTOG-DZFGPLHGSA-N 1 3 381.568 3.835 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578903 1025058611 /nfs/dbraw/zinc/05/86/11/1025058611.db2.gz FHDMUYHZUDHTOG-DZFGPLHGSA-N 1 3 381.568 3.835 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(OCCO)cc3)C[C@@H]21 ZINC001138794008 1025368693 /nfs/dbraw/zinc/36/86/93/1025368693.db2.gz CLFZCEOZALEAQS-HJOGWXRNSA-N 1 3 380.532 3.668 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(OCCO)cc3)C[C@@H]21 ZINC001138794008 1025368700 /nfs/dbraw/zinc/36/87/00/1025368700.db2.gz CLFZCEOZALEAQS-HJOGWXRNSA-N 1 3 380.532 3.668 20 0 GHADHO Cn1cc(CN2CCC3(C2)CC[NH+](C)CC3)c2cc(Br)ccc21 ZINC001139218185 1026071122 /nfs/dbraw/zinc/07/11/22/1026071122.db2.gz HVTMJYTVTQQSFU-UHFFFAOYSA-N 1 3 376.342 3.859 20 0 GHADHO CCN1CCC(N(C)C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001165069764 1026586687 /nfs/dbraw/zinc/58/66/87/1026586687.db2.gz UJHKCNMTDJETOZ-UHFFFAOYSA-N 1 3 384.902 3.577 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001165201988 1026663372 /nfs/dbraw/zinc/66/33/72/1026663372.db2.gz KYVTXEYCXWGDMT-VQTJNVASSA-N 1 3 394.563 3.559 20 0 GHADHO C[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165201987 1026663553 /nfs/dbraw/zinc/66/35/53/1026663553.db2.gz KYVTXEYCXWGDMT-UXHICEINSA-N 1 3 394.563 3.559 20 0 GHADHO Fc1cccc(N(c2cc(N3CCCC3)ccn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001165474317 1026737068 /nfs/dbraw/zinc/73/70/68/1026737068.db2.gz FWDJVHYWACHYHZ-GMAHTHKFSA-N 1 3 396.510 3.870 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccccc1OC)CC2 ZINC001203428525 1027330955 /nfs/dbraw/zinc/33/09/55/1027330955.db2.gz RVKJBSKGUIYUNX-JOCHJYFZSA-N 1 3 395.547 3.593 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccccc1OC)CC2 ZINC001203428525 1027330974 /nfs/dbraw/zinc/33/09/74/1027330974.db2.gz RVKJBSKGUIYUNX-JOCHJYFZSA-N 1 3 395.547 3.593 20 0 GHADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000841065475 1028082409 /nfs/dbraw/zinc/08/24/09/1028082409.db2.gz PSNVNTSCRLPBRZ-QYZOEREBSA-N 1 3 376.447 3.796 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC001461349148 1069512445 /nfs/dbraw/zinc/51/24/45/1069512445.db2.gz ZHDICGKCXDXZAS-IAGOWNOFSA-N 1 3 387.749 3.570 20 0 GHADHO CCOC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142599240 1029127655 /nfs/dbraw/zinc/12/76/55/1029127655.db2.gz DVEDDMFNABZONT-DEOSSOPVSA-N 1 3 378.516 3.961 20 0 GHADHO CCOC(=O)c1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142599240 1029127656 /nfs/dbraw/zinc/12/76/56/1029127656.db2.gz DVEDDMFNABZONT-DEOSSOPVSA-N 1 3 378.516 3.961 20 0 GHADHO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142910699 1029675983 /nfs/dbraw/zinc/67/59/83/1029675983.db2.gz KKRDYBCGSHNPDZ-RUZDIDTESA-N 1 3 392.543 3.890 20 0 GHADHO COC(=O)Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142910699 1029675989 /nfs/dbraw/zinc/67/59/89/1029675989.db2.gz KKRDYBCGSHNPDZ-RUZDIDTESA-N 1 3 392.543 3.890 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC001221946500 1029902510 /nfs/dbraw/zinc/90/25/10/1029902510.db2.gz WLSBTWXEGVLFQY-WOUAJJJCSA-N 1 3 394.991 3.608 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC001221946500 1029902514 /nfs/dbraw/zinc/90/25/14/1029902514.db2.gz WLSBTWXEGVLFQY-WOUAJJJCSA-N 1 3 394.991 3.608 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843385653 1029953322 /nfs/dbraw/zinc/95/33/22/1029953322.db2.gz BIJSFWHRDXVDFK-NJDAHSKKSA-N 1 3 398.595 3.716 20 0 GHADHO CCOC(=O)[C@@]12CN(CCCc3ccccc3C(F)(F)F)C[C@@H]1C[NH2+]CCC2 ZINC001222125770 1029971717 /nfs/dbraw/zinc/97/17/17/1029971717.db2.gz VNOXOATZOQWBFL-PXNSSMCTSA-N 1 3 398.469 3.503 20 0 GHADHO CCOC(=O)[C@@]12C[N@H+](CCCc3ccccc3C(F)(F)F)C[C@@H]1CNCCC2 ZINC001222125770 1029971720 /nfs/dbraw/zinc/97/17/20/1029971720.db2.gz VNOXOATZOQWBFL-PXNSSMCTSA-N 1 3 398.469 3.503 20 0 GHADHO CCOC(=O)[C@@]12C[N@@H+](CCCc3ccccc3C(F)(F)F)C[C@@H]1CNCCC2 ZINC001222125770 1029971723 /nfs/dbraw/zinc/97/17/23/1029971723.db2.gz VNOXOATZOQWBFL-PXNSSMCTSA-N 1 3 398.469 3.503 20 0 GHADHO Brc1c(CN2CCC3(CC2)C[NH2+]CCO3)ccc2ccccc21 ZINC001222207668 1030004883 /nfs/dbraw/zinc/00/48/83/1030004883.db2.gz BQJGTTXNPZZIFC-UHFFFAOYSA-N 1 3 375.310 3.557 20 0 GHADHO CCOC(=O)[C@H]1CC2(CN1CCCc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC001222215915 1030011582 /nfs/dbraw/zinc/01/15/82/1030011582.db2.gz OGILLLBFZSSPNT-GOSISDBHSA-N 1 3 398.469 3.645 20 0 GHADHO CCOC(=O)[C@H]1CC2(CN1Cc1c3ccccc3[nH]c1C(C)(C)C)CC[NH2+]CC2 ZINC001222220744 1030013970 /nfs/dbraw/zinc/01/39/70/1030013970.db2.gz GRDOYPYAIGELLZ-HXUWFJFHSA-N 1 3 397.563 3.973 20 0 GHADHO CCOc1cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC001461605685 1069636991 /nfs/dbraw/zinc/63/69/91/1069636991.db2.gz KVBAHOSFQVGXCZ-IAGOWNOFSA-N 1 3 397.357 3.963 20 0 GHADHO CCOc1cc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC001461605685 1069636995 /nfs/dbraw/zinc/63/69/95/1069636995.db2.gz KVBAHOSFQVGXCZ-IAGOWNOFSA-N 1 3 397.357 3.963 20 0 GHADHO C[C@@H]1CC(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)C[C@@H](C)O1 ZINC001222574627 1030205238 /nfs/dbraw/zinc/20/52/38/1030205238.db2.gz IJMZELVQXQSHIC-TXTKFYIRSA-N 1 3 386.580 3.993 20 0 GHADHO C[C@@H]1CC(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)C[C@@H](C)O1 ZINC001222574627 1030205259 /nfs/dbraw/zinc/20/52/59/1030205259.db2.gz IJMZELVQXQSHIC-TXTKFYIRSA-N 1 3 386.580 3.993 20 0 GHADHO c1cc2c(nccc2C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)[nH]1 ZINC001222584513 1030212563 /nfs/dbraw/zinc/21/25/63/1030212563.db2.gz TUUONKCWEBJUKS-OAQYLSRUSA-N 1 3 390.531 3.866 20 0 GHADHO c1cc2c(nccc2C[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)[nH]1 ZINC001222584513 1030212571 /nfs/dbraw/zinc/21/25/71/1030212571.db2.gz TUUONKCWEBJUKS-OAQYLSRUSA-N 1 3 390.531 3.866 20 0 GHADHO c1cc2c(nccc2CN2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]1 ZINC001222584513 1030212582 /nfs/dbraw/zinc/21/25/82/1030212582.db2.gz TUUONKCWEBJUKS-OAQYLSRUSA-N 1 3 390.531 3.866 20 0 GHADHO CC1CCC(N2CCN(C(=O)NC3CCC([NH+]4CCCCC4)CC3)CC2)CC1 ZINC001222868534 1030334139 /nfs/dbraw/zinc/33/41/39/1030334139.db2.gz QGAYAOHVDXWMFP-UHFFFAOYSA-N 1 3 390.616 3.689 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)CC(C)C ZINC001223090521 1030434293 /nfs/dbraw/zinc/43/42/93/1030434293.db2.gz WFIRKKAHGDEYPZ-NNWRFLSQSA-N 1 3 388.600 3.705 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)N(C)C)cc1 ZINC001223475162 1030589903 /nfs/dbraw/zinc/58/99/03/1030589903.db2.gz NMMCZDMNZCHYAZ-VXKWHMMOSA-N 1 3 388.600 3.661 20 0 GHADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(O)c(C(C)(C)C)cc1C(C)(C)C ZINC001219074638 1031243275 /nfs/dbraw/zinc/24/32/75/1031243275.db2.gz QTASZEHKRCDPMR-KRWDZBQOSA-N 1 3 377.573 3.985 20 0 GHADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc2ccc(-c3ccccc3)nc21 ZINC001219221302 1031310258 /nfs/dbraw/zinc/31/02/58/1031310258.db2.gz UCEWANPZTATIIM-IBGZPJMESA-N 1 3 376.504 3.900 20 0 GHADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC001205726134 1033549403 /nfs/dbraw/zinc/54/94/03/1033549403.db2.gz OZVMRAOSDSWUTN-FQEVSTJZSA-N 1 3 394.437 3.928 20 0 GHADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC001205726134 1033549408 /nfs/dbraw/zinc/54/94/08/1033549408.db2.gz OZVMRAOSDSWUTN-FQEVSTJZSA-N 1 3 394.437 3.928 20 0 GHADHO [NH3+][C@@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)c1ccc(-c2ccccc2)cc1 ZINC001206126849 1033729645 /nfs/dbraw/zinc/72/96/45/1033729645.db2.gz QJJQNWUKXAPEOD-FQEVSTJZSA-N 1 3 397.482 3.687 20 0 GHADHO Cc1ccc(C[N@@H+]2CCOC3(CCN(Cc4ncc5ccccn54)CC3)C2)cc1 ZINC001207051487 1034072650 /nfs/dbraw/zinc/07/26/50/1034072650.db2.gz MLVRZPPJFRFHFO-UHFFFAOYSA-N 1 3 390.531 3.510 20 0 GHADHO Cc1ccc(C[N@H+]2CCOC3(CCN(Cc4ncc5ccccn54)CC3)C2)cc1 ZINC001207051487 1034072658 /nfs/dbraw/zinc/07/26/58/1034072658.db2.gz MLVRZPPJFRFHFO-UHFFFAOYSA-N 1 3 390.531 3.510 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC001230858655 1034254325 /nfs/dbraw/zinc/25/43/25/1034254325.db2.gz MHOQNHAYSPVEQN-SFHVURJKSA-N 1 3 394.563 3.670 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC001230858655 1034254341 /nfs/dbraw/zinc/25/43/41/1034254341.db2.gz MHOQNHAYSPVEQN-SFHVURJKSA-N 1 3 394.563 3.670 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001230887468 1034273507 /nfs/dbraw/zinc/27/35/07/1034273507.db2.gz ZFFHISCPZSGZPK-JBACZVJFSA-N 1 3 386.584 3.726 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001230887468 1034273520 /nfs/dbraw/zinc/27/35/20/1034273520.db2.gz ZFFHISCPZSGZPK-JBACZVJFSA-N 1 3 386.584 3.726 20 0 GHADHO FC1(F)CCC(C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CC1 ZINC001207347004 1034293157 /nfs/dbraw/zinc/29/31/57/1034293157.db2.gz NALGANQGRNPREA-UHFFFAOYSA-N 1 3 393.522 3.822 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC001207858335 1034626115 /nfs/dbraw/zinc/62/61/15/1034626115.db2.gz LSRWIBJTPAEVPN-CABCVRRESA-N 1 3 384.362 3.876 20 0 GHADHO Fc1ccc(N2CC[NH2+]CC2)c(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001160045388 1034841619 /nfs/dbraw/zinc/84/16/19/1034841619.db2.gz GTKQZFPWHZBAKY-YADHBBJMSA-N 1 3 392.522 3.968 20 0 GHADHO COc1ccc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1OC(C)=O ZINC001231708022 1034849874 /nfs/dbraw/zinc/84/98/74/1034849874.db2.gz OGWPIABDUBWUEQ-UHFFFAOYSA-N 1 3 394.515 3.719 20 0 GHADHO COc1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1OC(C)=O ZINC001231708022 1034849885 /nfs/dbraw/zinc/84/98/85/1034849885.db2.gz OGWPIABDUBWUEQ-UHFFFAOYSA-N 1 3 394.515 3.719 20 0 GHADHO N[C@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC001160461735 1034982516 /nfs/dbraw/zinc/98/25/16/1034982516.db2.gz WSRMODUEQQXOBX-QZTJIDSGSA-N 1 3 383.458 3.572 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001160572726 1035006255 /nfs/dbraw/zinc/00/62/55/1035006255.db2.gz TWJMDXWOVQQHGH-IPJJNNNSSA-N 1 3 389.584 3.609 20 0 GHADHO Cc1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(C)n1 ZINC001231997348 1035032216 /nfs/dbraw/zinc/03/22/16/1035032216.db2.gz AVDYCFUTZVGMHN-HSZRJFAPSA-N 1 3 379.548 3.954 20 0 GHADHO Cc1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(C)n1 ZINC001231997348 1035032221 /nfs/dbraw/zinc/03/22/21/1035032221.db2.gz AVDYCFUTZVGMHN-HSZRJFAPSA-N 1 3 379.548 3.954 20 0 GHADHO CC(C)(C)OC(=O)c1ccc(CN2CCC(C[N@@H+]3CCCOCC3)CC2)cc1 ZINC001208815234 1035035790 /nfs/dbraw/zinc/03/57/90/1035035790.db2.gz LMYCTSPWFXYBLB-UHFFFAOYSA-N 1 3 388.552 3.576 20 0 GHADHO CC(C)(C)OC(=O)c1ccc(CN2CCC(C[N@H+]3CCCOCC3)CC2)cc1 ZINC001208815234 1035035798 /nfs/dbraw/zinc/03/57/98/1035035798.db2.gz LMYCTSPWFXYBLB-UHFFFAOYSA-N 1 3 388.552 3.576 20 0 GHADHO CO[C@H]1CC[N@H+](CC2CCN(Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)C1 ZINC001208817819 1035036880 /nfs/dbraw/zinc/03/68/80/1035036880.db2.gz PDWWQPJMFZNGQF-NRFANRHFSA-N 1 3 388.552 3.575 20 0 GHADHO CO[C@H]1CC[N@@H+](CC2CCN(Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)C1 ZINC001208817819 1035036889 /nfs/dbraw/zinc/03/68/89/1035036889.db2.gz PDWWQPJMFZNGQF-NRFANRHFSA-N 1 3 388.552 3.575 20 0 GHADHO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208931547 1035094697 /nfs/dbraw/zinc/09/46/97/1035094697.db2.gz AGEIBQNRSKJHIW-FQEVSTJZSA-N 1 3 399.579 3.888 20 0 GHADHO COC(=O)N1CCC2(CC1)CC[NH+](C[C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC001208930351 1035095308 /nfs/dbraw/zinc/09/53/08/1035095308.db2.gz AEJORXYEOTVJHX-JOCHJYFZSA-N 1 3 399.579 3.843 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208933204 1035097160 /nfs/dbraw/zinc/09/71/60/1035097160.db2.gz UUGBFUSAPTWDEN-BHIFYINESA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208933204 1035097169 /nfs/dbraw/zinc/09/71/69/1035097169.db2.gz UUGBFUSAPTWDEN-BHIFYINESA-N 1 3 399.579 3.840 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001232145528 1035122641 /nfs/dbraw/zinc/12/26/41/1035122641.db2.gz AUIFAOQZLXVYEE-DEOSSOPVSA-N 1 3 381.539 3.985 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001232145528 1035122648 /nfs/dbraw/zinc/12/26/48/1035122648.db2.gz AUIFAOQZLXVYEE-DEOSSOPVSA-N 1 3 381.539 3.985 20 0 GHADHO CC[NH+]1CCC(CC2CCN(C(=O)[C@@H](N)CCCc3ccccc3)CC2)CC1 ZINC001161046841 1035124786 /nfs/dbraw/zinc/12/47/86/1035124786.db2.gz RKDDMPMQKYXMSA-QHCPKHFHSA-N 1 3 385.596 3.697 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)c1 ZINC001232148028 1035126411 /nfs/dbraw/zinc/12/64/11/1035126411.db2.gz FUWCIHDCILQZHI-OFNKIYASSA-N 1 3 383.511 3.963 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)c1 ZINC001232148028 1035126415 /nfs/dbraw/zinc/12/64/15/1035126415.db2.gz FUWCIHDCILQZHI-OFNKIYASSA-N 1 3 383.511 3.963 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)c1 ZINC001232148028 1035126418 /nfs/dbraw/zinc/12/64/18/1035126418.db2.gz FUWCIHDCILQZHI-OFNKIYASSA-N 1 3 383.511 3.963 20 0 GHADHO CCN(Cc1cc(F)cc(C[NH+](C)C)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232150100 1035129058 /nfs/dbraw/zinc/12/90/58/1035129058.db2.gz SNXWUBKGOFXFTB-IBGZPJMESA-N 1 3 379.520 3.719 20 0 GHADHO O=C1c2ccccc2CN1[C@@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208957166 1035129887 /nfs/dbraw/zinc/12/98/87/1035129887.db2.gz DDVXYVVQLAFGFT-FYYLOGMGSA-N 1 3 389.543 3.629 20 0 GHADHO O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208957166 1035129890 /nfs/dbraw/zinc/12/98/90/1035129890.db2.gz DDVXYVVQLAFGFT-FYYLOGMGSA-N 1 3 389.543 3.629 20 0 GHADHO COC(=O)[C@H]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208962748 1035133439 /nfs/dbraw/zinc/13/34/39/1035133439.db2.gz LFHTZSQLQIADSK-PUHATCMVSA-N 1 3 378.516 3.745 20 0 GHADHO COC(=O)[C@H]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208962748 1035133444 /nfs/dbraw/zinc/13/34/44/1035133444.db2.gz LFHTZSQLQIADSK-PUHATCMVSA-N 1 3 378.516 3.745 20 0 GHADHO CN(C)CCN(C(=O)c1ccccc1-c1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001161448658 1035232871 /nfs/dbraw/zinc/23/28/71/1035232871.db2.gz FOIXLJAUJSTXNR-LJQANCHMSA-N 1 3 385.939 3.763 20 0 GHADHO Cc1[nH]c2ncccc2c1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001209591812 1035321111 /nfs/dbraw/zinc/32/11/11/1035321111.db2.gz RWRIVGDEZMIWKM-UHFFFAOYSA-N 1 3 375.520 3.754 20 0 GHADHO Cc1[nH]c2ncccc2c1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209591812 1035321114 /nfs/dbraw/zinc/32/11/14/1035321114.db2.gz RWRIVGDEZMIWKM-UHFFFAOYSA-N 1 3 375.520 3.754 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1)c1ccco1 ZINC001248638367 1036019092 /nfs/dbraw/zinc/01/90/92/1036019092.db2.gz HVASIKRRFGHEOZ-OALUTQOASA-N 1 3 390.572 3.759 20 0 GHADHO Cc1nc(CN2C[C@@H]3CC[N@@H+](Cc4scnc4C)CC[C@@H]3C2)sc1C ZINC001278411419 1036957930 /nfs/dbraw/zinc/95/79/30/1036957930.db2.gz KKVQERLFHUCPCP-CALCHBBNSA-N 1 3 376.595 3.869 20 0 GHADHO Cc1nc(CN2C[C@@H]3CC[N@H+](Cc4scnc4C)CC[C@@H]3C2)sc1C ZINC001278411419 1036957931 /nfs/dbraw/zinc/95/79/31/1036957931.db2.gz KKVQERLFHUCPCP-CALCHBBNSA-N 1 3 376.595 3.869 20 0 GHADHO CC(C)C[C@H]([NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC001245990944 1037112318 /nfs/dbraw/zinc/11/23/18/1037112318.db2.gz FPZHSRHTLVMEFA-PCCBWWKXSA-N 1 3 380.454 3.712 20 0 GHADHO O[C@H](CN[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)c1ccc(F)c(F)c1 ZINC001246007263 1037128111 /nfs/dbraw/zinc/12/81/11/1037128111.db2.gz PQTCAOGVRFIWNV-LEWJYISDSA-N 1 3 378.438 3.858 20 0 GHADHO CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246017881 1037138990 /nfs/dbraw/zinc/13/89/90/1037138990.db2.gz BWLDDARUDBNJKP-APWZRJJASA-N 1 3 388.930 3.966 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC001246260611 1037261186 /nfs/dbraw/zinc/26/11/86/1037261186.db2.gz JTJPBFSZGCKWNG-QFIPXVFZSA-N 1 3 390.616 3.691 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC001246260611 1037261208 /nfs/dbraw/zinc/26/12/08/1037261208.db2.gz JTJPBFSZGCKWNG-QFIPXVFZSA-N 1 3 390.616 3.691 20 0 GHADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC001246260610 1037262375 /nfs/dbraw/zinc/26/23/75/1037262375.db2.gz JTJPBFSZGCKWNG-JOCHJYFZSA-N 1 3 390.616 3.691 20 0 GHADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC001246260610 1037262391 /nfs/dbraw/zinc/26/23/91/1037262391.db2.gz JTJPBFSZGCKWNG-JOCHJYFZSA-N 1 3 390.616 3.691 20 0 GHADHO CC[C@H]1C[C@H](NCC(Cc2ccccc2)(Cc2ccccc2)C(=O)OC)CC[NH2+]1 ZINC001246327331 1037298708 /nfs/dbraw/zinc/29/87/08/1037298708.db2.gz INLNHJAQUSAPPF-XZOQPEGZSA-N 1 3 394.559 3.751 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H](N[C@@H]2CCN(Cc3ccccc3F)C2)CC[NH2+]1 ZINC001246362449 1037321449 /nfs/dbraw/zinc/32/14/49/1037321449.db2.gz SSAYPZQHAASCJW-TXTKFYIRSA-N 1 3 385.502 3.930 20 0 GHADHO COc1ccccc1C1(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246375554 1037333369 /nfs/dbraw/zinc/33/33/69/1037333369.db2.gz IMIFEXLYZVRHPV-CTNGQTDRSA-N 1 3 379.548 3.527 20 0 GHADHO COc1ccc(C2(N[C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246379398 1037337170 /nfs/dbraw/zinc/33/71/70/1037337170.db2.gz DJNLYATXVOSYOU-DENIHFKCSA-N 1 3 379.548 3.527 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2ccc(OC)cc2)CCNCC1 ZINC001246378484 1037337919 /nfs/dbraw/zinc/33/79/19/1037337919.db2.gz RAQBIGXUYKSLRQ-HXUWFJFHSA-N 1 3 396.531 3.700 20 0 GHADHO Brc1ccc(N2CCC([NH2+]C3(CC4CC4)CCNCC3)CC2)cc1 ZINC001246385468 1037346151 /nfs/dbraw/zinc/34/61/51/1037346151.db2.gz FYLFBCVJHJKGGX-UHFFFAOYSA-N 1 3 392.385 3.930 20 0 GHADHO COC(=O)CC1CCC([NH2+]C2(Cc3ccccc3Cl)CCNCC2)CC1 ZINC001246391775 1037352639 /nfs/dbraw/zinc/35/26/39/1037352639.db2.gz OPDNEYKWQFDPMI-UHFFFAOYSA-N 1 3 378.944 3.716 20 0 GHADHO FC(F)(F)c1ccc(C2([NH2+][C@@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246420758 1037376904 /nfs/dbraw/zinc/37/69/04/1037376904.db2.gz GBTBMPOGWYBXMR-CABCVRRESA-N 1 3 395.391 3.557 20 0 GHADHO FC(F)(F)c1ccc(C2([NH2+][C@@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246420760 1037377001 /nfs/dbraw/zinc/37/70/01/1037377001.db2.gz GBTBMPOGWYBXMR-HUUCEWRRSA-N 1 3 395.391 3.557 20 0 GHADHO Fc1cccc(C2([NH2+][C@@H]3Cc4ccc(Br)cc4C3)CCNCC2)c1 ZINC001246435623 1037398444 /nfs/dbraw/zinc/39/84/44/1037398444.db2.gz GGSYYNMEKRPRNP-LJQANCHMSA-N 1 3 389.312 3.924 20 0 GHADHO CCOC(=O)[C@H]1CC12CCC([NH2+]C1(Cc3cccc(F)c3)CCNCC1)CC2 ZINC001246449717 1037410468 /nfs/dbraw/zinc/41/04/68/1037410468.db2.gz CHQUZNPGUKSZFG-SNCIUUNGSA-N 1 3 388.527 3.592 20 0 GHADHO C[N@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246594887 1037492144 /nfs/dbraw/zinc/49/21/44/1037492144.db2.gz NCYGJVGPTKUXJA-ILBGXUMGSA-N 1 3 377.576 3.946 20 0 GHADHO C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246594887 1037492169 /nfs/dbraw/zinc/49/21/69/1037492169.db2.gz NCYGJVGPTKUXJA-ILBGXUMGSA-N 1 3 377.576 3.946 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)cc1 ZINC001246686627 1037548766 /nfs/dbraw/zinc/54/87/66/1037548766.db2.gz SACZNRPHLPBCMP-QXWFJRNPSA-N 1 3 392.543 3.657 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)cc1 ZINC001246686627 1037548781 /nfs/dbraw/zinc/54/87/81/1037548781.db2.gz SACZNRPHLPBCMP-QXWFJRNPSA-N 1 3 392.543 3.657 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001246686627 1037548789 /nfs/dbraw/zinc/54/87/89/1037548789.db2.gz SACZNRPHLPBCMP-QXWFJRNPSA-N 1 3 392.543 3.657 20 0 GHADHO c1ccc(OC[C@]23CCCO[C@@H]2CCN([C@@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246710794 1037565372 /nfs/dbraw/zinc/56/53/72/1037565372.db2.gz RLTMTOHDFANAAK-MQSCRBSSSA-N 1 3 399.579 3.786 20 0 GHADHO CC[C@@H]1C[C@@H](N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@H](CC)[NH2+]1 ZINC001246722390 1037571839 /nfs/dbraw/zinc/57/18/39/1037571839.db2.gz NQFXQODGTXPDIA-IIZPIQPGSA-N 1 3 389.609 3.985 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725512 1037575381 /nfs/dbraw/zinc/57/53/81/1037575381.db2.gz ZRFUSVAUDMIPLD-RZUBCFFCSA-N 1 3 389.609 3.987 20 0 GHADHO CCCC[C@H]1C[C@H](N2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CC[NH2+]1 ZINC001246727148 1037578895 /nfs/dbraw/zinc/57/88/95/1037578895.db2.gz USEGMPSFMHIKSI-KGSLCBSSSA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@H]1C[C@H]([N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CCN1 ZINC001246727148 1037578906 /nfs/dbraw/zinc/57/89/06/1037578906.db2.gz USEGMPSFMHIKSI-KGSLCBSSSA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@H]1C[C@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CCN1 ZINC001246727148 1037578923 /nfs/dbraw/zinc/57/89/23/1037578923.db2.gz USEGMPSFMHIKSI-KGSLCBSSSA-N 1 3 375.601 3.943 20 0 GHADHO CC[C@@H]1C[C@H](N2CCC3(CC2)Cc2ccccc2CN(CC(C)C)C3=O)CC[NH2+]1 ZINC001246754122 1037596719 /nfs/dbraw/zinc/59/67/19/1037596719.db2.gz SOGKTCTWDDAMLI-DHIUTWEWSA-N 1 3 397.607 3.840 20 0 GHADHO CCCC[C@H]1C[C@@H]([N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CCN1 ZINC001246756915 1037600116 /nfs/dbraw/zinc/60/01/16/1037600116.db2.gz UBNJKKLAMWPKPE-ANULTFPQSA-N 1 3 378.564 3.969 20 0 GHADHO CCCC[C@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CCN1 ZINC001246756915 1037600131 /nfs/dbraw/zinc/60/01/31/1037600131.db2.gz UBNJKKLAMWPKPE-ANULTFPQSA-N 1 3 378.564 3.969 20 0 GHADHO CC[N@H+](CCCN1CCCC1)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462198233 1070076196 /nfs/dbraw/zinc/07/61/96/1070076196.db2.gz KDNOAEVFIBPQJW-OAHLLOKOSA-N 1 3 381.483 3.640 20 0 GHADHO CC[N@@H+](CCCN1CCCC1)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462198233 1070076210 /nfs/dbraw/zinc/07/62/10/1070076210.db2.gz KDNOAEVFIBPQJW-OAHLLOKOSA-N 1 3 381.483 3.640 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCN[C@H](c2cccc(Br)c2)C1 ZINC001246807566 1037642295 /nfs/dbraw/zinc/64/22/95/1037642295.db2.gz SBRXPCWXWVLYKV-LPHOPBHVSA-N 1 3 382.390 3.906 20 0 GHADHO COc1cc(C[C@@H](C)[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc(OC)c1OC ZINC001246937822 1037741905 /nfs/dbraw/zinc/74/19/05/1037741905.db2.gz MVXWKFWDOAXAMK-QZTJIDSGSA-N 1 3 390.568 3.888 20 0 GHADHO COc1cc(C[C@@H](C)[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc(OC)c1OC ZINC001246937822 1037741919 /nfs/dbraw/zinc/74/19/19/1037741919.db2.gz MVXWKFWDOAXAMK-QZTJIDSGSA-N 1 3 390.568 3.888 20 0 GHADHO CO[C@H]1CCC[C@@H]([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)C1 ZINC001246937362 1037743538 /nfs/dbraw/zinc/74/35/38/1037743538.db2.gz LNLSMGZBNXZODY-MOPGFXCFSA-N 1 3 381.358 3.961 20 0 GHADHO CO[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)C1 ZINC001246937362 1037743553 /nfs/dbraw/zinc/74/35/53/1037743553.db2.gz LNLSMGZBNXZODY-MOPGFXCFSA-N 1 3 381.358 3.961 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246957549 1037770761 /nfs/dbraw/zinc/77/07/61/1037770761.db2.gz BUMQBTXHZIEFJN-LAUBAEHRSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246957549 1037770777 /nfs/dbraw/zinc/77/07/77/1037770777.db2.gz BUMQBTXHZIEFJN-LAUBAEHRSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@H]1CCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000413 1037824231 /nfs/dbraw/zinc/82/42/31/1037824231.db2.gz MGYDGQOMPLKOJY-BJESRGMDSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@H]1CC[N@@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000413 1037824247 /nfs/dbraw/zinc/82/42/47/1037824247.db2.gz MGYDGQOMPLKOJY-BJESRGMDSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@H]1CC[N@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000413 1037824272 /nfs/dbraw/zinc/82/42/72/1037824272.db2.gz MGYDGQOMPLKOJY-BJESRGMDSA-N 1 3 378.516 3.586 20 0 GHADHO CC[NH+]1CCC(CC2CCN(Cc3n[nH]c4cccc(C(=O)OC)c43)CC2)CC1 ZINC001232441789 1038221113 /nfs/dbraw/zinc/22/11/13/1038221113.db2.gz TUIHCICYNOOHOA-UHFFFAOYSA-N 1 3 398.551 3.684 20 0 GHADHO O=c1ccc2c(C[NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)ccc(O)c2[nH]1 ZINC001233295339 1039084119 /nfs/dbraw/zinc/08/41/19/1039084119.db2.gz XHUUIRDHEHQLGO-UHFFFAOYSA-N 1 3 389.499 3.744 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cccc(N)n4)CC3)CC2)c1 ZINC001233370303 1039194240 /nfs/dbraw/zinc/19/42/40/1039194240.db2.gz WNRADSWYZNKWAY-UHFFFAOYSA-N 1 3 380.536 3.551 20 0 GHADHO O[C@@]1(CN[C@@H](c2cccc(F)c2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252947701 1039291400 /nfs/dbraw/zinc/29/14/00/1039291400.db2.gz CXYLLFJGPZRTFM-DNQXCXABSA-N 1 3 398.522 3.520 20 0 GHADHO O[C@@]1(CN[C@@H](c2cccc(F)c2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947701 1039291404 /nfs/dbraw/zinc/29/14/04/1039291404.db2.gz CXYLLFJGPZRTFM-DNQXCXABSA-N 1 3 398.522 3.520 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@@](C)(O)c1ccccc1)CC2 ZINC001253099130 1039420529 /nfs/dbraw/zinc/42/05/29/1039420529.db2.gz FJXIKVZKFBRFJP-BJKOFHAPSA-N 1 3 394.559 3.650 20 0 GHADHO Cc1cccc(N(C)c2ccc(CN3CCC([NH+]4CCN(C)CC4)CC3)cc2)c1 ZINC001234178964 1039911021 /nfs/dbraw/zinc/91/10/21/1039911021.db2.gz IJPKLFPSCNROHI-UHFFFAOYSA-N 1 3 392.591 3.975 20 0 GHADHO COc1ccccc1[C@@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254029090 1039963377 /nfs/dbraw/zinc/96/33/77/1039963377.db2.gz AOONKGSTEYNJPT-OAQYLSRUSA-N 1 3 380.532 3.512 20 0 GHADHO COc1ccccc1[C@@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254029090 1039963384 /nfs/dbraw/zinc/96/33/84/1039963384.db2.gz AOONKGSTEYNJPT-OAQYLSRUSA-N 1 3 380.532 3.512 20 0 GHADHO Cc1c(Br)cncc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235090046 1040578676 /nfs/dbraw/zinc/57/86/76/1040578676.db2.gz JDLYUUCKRAKGQC-UHFFFAOYSA-N 1 3 386.337 3.790 20 0 GHADHO Cn1cc(CN2CCC3(CC[NH2+]CC3)CC2)c2cc(Br)ccc21 ZINC001235133764 1040627981 /nfs/dbraw/zinc/62/79/81/1040627981.db2.gz VXBMQEKVSLSIRY-UHFFFAOYSA-N 1 3 376.342 3.906 20 0 GHADHO COc1ccc(Br)c(OC)c1CN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156206 1040647934 /nfs/dbraw/zinc/64/79/34/1040647934.db2.gz NEBBKUKZGZPJRB-KRWDZBQOSA-N 1 3 397.357 3.820 20 0 GHADHO O[C@@H]1CCN([C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255073868 1040767329 /nfs/dbraw/zinc/76/73/29/1040767329.db2.gz IMPKAAFBDGDUED-ZGFBMJKBSA-N 1 3 376.544 3.818 20 0 GHADHO O[C@@H]1CCN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255073868 1040767341 /nfs/dbraw/zinc/76/73/41/1040767341.db2.gz IMPKAAFBDGDUED-ZGFBMJKBSA-N 1 3 376.544 3.818 20 0 GHADHO COc1cccnc1C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255133194 1040830311 /nfs/dbraw/zinc/83/03/11/1040830311.db2.gz PITABNXQUYRVLJ-MZADTFQBSA-N 1 3 377.532 3.907 20 0 GHADHO COc1cccnc1C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255133194 1040830331 /nfs/dbraw/zinc/83/03/31/1040830331.db2.gz PITABNXQUYRVLJ-MZADTFQBSA-N 1 3 377.532 3.907 20 0 GHADHO c1ccc(C2(C[N@@H+]3CC[C@@]4(c5ccccc5)CCNC[C@H]4C3)CCOCC2)cc1 ZINC001235364086 1040852510 /nfs/dbraw/zinc/85/25/10/1040852510.db2.gz KUTKANWNSLRLPS-AZGAKELHSA-N 1 3 390.571 3.988 20 0 GHADHO c1ccc(C2(C[N@H+]3CC[C@@]4(c5ccccc5)CCNC[C@H]4C3)CCOCC2)cc1 ZINC001235364086 1040852519 /nfs/dbraw/zinc/85/25/19/1040852519.db2.gz KUTKANWNSLRLPS-AZGAKELHSA-N 1 3 390.571 3.988 20 0 GHADHO Cc1nccnc1O[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255151029 1040871954 /nfs/dbraw/zinc/87/19/54/1040871954.db2.gz QXJUBBGMBJUZPB-BJESRGMDSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1nccnc1O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255151029 1040871959 /nfs/dbraw/zinc/87/19/59/1040871959.db2.gz QXJUBBGMBJUZPB-BJESRGMDSA-N 1 3 392.547 3.824 20 0 GHADHO c1ccc([C@]23CC[NH2+]C[C@@H]2CN(Cc2ccc(-c4cncnc4)cc2)CC3)cc1 ZINC001235375172 1040885127 /nfs/dbraw/zinc/88/51/27/1040885127.db2.gz ZARDHNKHDIHLCY-JWQCQUIFSA-N 1 3 384.527 3.897 20 0 GHADHO Cn1ccc(-c2ccc(CN3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)cc2)n1 ZINC001235387829 1040906105 /nfs/dbraw/zinc/90/61/05/1040906105.db2.gz XSMZSUOBICJRMH-UKILVPOCSA-N 1 3 386.543 3.840 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H](N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001255349594 1040955862 /nfs/dbraw/zinc/95/58/62/1040955862.db2.gz LJCWEBYVGNWECZ-HKUYNNGSSA-N 1 3 378.944 3.798 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255400714 1040986390 /nfs/dbraw/zinc/98/63/90/1040986390.db2.gz MXKCDUMHXYVSNF-YPAWHYETSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255400714 1040986392 /nfs/dbraw/zinc/98/63/92/1040986392.db2.gz MXKCDUMHXYVSNF-YPAWHYETSA-N 1 3 399.579 3.982 20 0 GHADHO c1ccc(CCN2CCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255402122 1040988781 /nfs/dbraw/zinc/98/87/81/1040988781.db2.gz DWYWSRCPACCWIE-RUZDIDTESA-N 1 3 377.576 3.901 20 0 GHADHO c1ccc(CCN2CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255402122 1040988782 /nfs/dbraw/zinc/98/87/82/1040988782.db2.gz DWYWSRCPACCWIE-RUZDIDTESA-N 1 3 377.576 3.901 20 0 GHADHO Cc1cncnc1O[C@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255408892 1040995745 /nfs/dbraw/zinc/99/57/45/1040995745.db2.gz DTNMMDWVYCKYLB-VXKWHMMOSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cncnc1O[C@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255408892 1040995747 /nfs/dbraw/zinc/99/57/47/1040995747.db2.gz DTNMMDWVYCKYLB-VXKWHMMOSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cc(O[C@H]2CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)ncn1 ZINC001255409624 1040997193 /nfs/dbraw/zinc/99/71/93/1040997193.db2.gz JEYGBIOMLIJOCP-VXKWHMMOSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cc(O[C@H]2CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)ncn1 ZINC001255409624 1040997198 /nfs/dbraw/zinc/99/71/98/1040997198.db2.gz JEYGBIOMLIJOCP-VXKWHMMOSA-N 1 3 380.536 3.683 20 0 GHADHO COc1cccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255410199 1040999681 /nfs/dbraw/zinc/99/96/81/1040999681.db2.gz RIKDIINQEBCMIV-FGZHOGPDSA-N 1 3 395.547 3.988 20 0 GHADHO COc1cccnc1O[C@@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255410199 1040999685 /nfs/dbraw/zinc/99/96/85/1040999685.db2.gz RIKDIINQEBCMIV-FGZHOGPDSA-N 1 3 395.547 3.988 20 0 GHADHO Clc1ccc(CN2CCC(C[NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC001255619482 1041173022 /nfs/dbraw/zinc/17/30/22/1041173022.db2.gz NCTRRZDVIVIMFP-UHFFFAOYSA-N 1 3 378.944 3.827 20 0 GHADHO [NH3+]C1(Cc2ccccc2C(F)(F)F)CCN(C2CCC3(CC2)OCCO3)CC1 ZINC001255619699 1041173535 /nfs/dbraw/zinc/17/35/35/1041173535.db2.gz XALBWOZEUBABNF-UHFFFAOYSA-N 1 3 398.469 3.727 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC001235707960 1041189759 /nfs/dbraw/zinc/18/97/59/1041189759.db2.gz QYLMIBHKPJOYAR-UHFFFAOYSA-N 1 3 378.605 3.549 20 0 GHADHO CN(Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1cccc(C(F)(F)F)c1 ZINC001235726688 1041211026 /nfs/dbraw/zinc/21/10/26/1041211026.db2.gz OULMXUQTYHLENO-UHFFFAOYSA-N 1 3 377.454 3.743 20 0 GHADHO FC(F)(F)c1cccnc1N1CCCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001235847240 1041372125 /nfs/dbraw/zinc/37/21/25/1041372125.db2.gz FSBUWXGOCNFOOH-UHFFFAOYSA-N 1 3 396.482 3.520 20 0 GHADHO Clc1ccc2c(c1)C(N1CCN(CCC3C[NH2+]C3)CC1)=Nc1ccccc1O2 ZINC001235864481 1041397057 /nfs/dbraw/zinc/39/70/57/1041397057.db2.gz HXAYBGDUYQQNLS-UHFFFAOYSA-N 1 3 396.922 3.751 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001255943821 1041430405 /nfs/dbraw/zinc/43/04/05/1041430405.db2.gz PYVRKHGNCZLOKZ-NNMXDRDESA-N 1 3 397.604 3.503 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001255963635 1041444370 /nfs/dbraw/zinc/44/43/70/1041444370.db2.gz SBBDSPBHNAMOAZ-PZJWPPBQSA-N 1 3 394.554 3.735 20 0 GHADHO Fc1cc(C(F)(F)F)ccc1N1CCN(CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001236065378 1041517181 /nfs/dbraw/zinc/51/71/81/1041517181.db2.gz FCDQMTZVCBBQRK-UHFFFAOYSA-N 1 3 385.449 3.746 20 0 GHADHO [NH3+]C1CN([C@H]2CCCN(Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2)C1 ZINC001236072213 1041523597 /nfs/dbraw/zinc/52/35/97/1041523597.db2.gz FMKRTFXJQLJSTH-HNNXBMFYSA-N 1 3 380.319 3.861 20 0 GHADHO [NH3+]CC1CN([C@@H]2CCCN(Cc3ccc(Oc4ccc(Cl)cc4)cc3)C2)C1 ZINC001236080577 1041524317 /nfs/dbraw/zinc/52/43/17/1041524317.db2.gz VMXFDLJLJHBHII-HXUWFJFHSA-N 1 3 385.939 3.987 20 0 GHADHO CC(C)(C)c1cc(CN2CCC[C@@H](N3CC(C[NH3+])C3)C2)cc(C(C)(C)C)c1O ZINC001236078722 1041524674 /nfs/dbraw/zinc/52/46/74/1041524674.db2.gz JFFOHUKUCXNITE-LJQANCHMSA-N 1 3 387.612 3.842 20 0 GHADHO CN(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@]1(C)CCC[NH2+]C1 ZINC001236206294 1041618128 /nfs/dbraw/zinc/61/81/28/1041618128.db2.gz IMOMBMCROZKMCC-RUZDIDTESA-N 1 3 392.591 3.583 20 0 GHADHO COc1ccc2c(Br)ccc(C[N@H+](C)[C@@H]3CCCC[C@H]3N)c2n1 ZINC001236215315 1041626492 /nfs/dbraw/zinc/62/64/92/1041626492.db2.gz GQELMPLYTLDOLR-HZPDHXFCSA-N 1 3 378.314 3.708 20 0 GHADHO COc1ccc2c(Br)ccc(C[N@@H+](C)[C@@H]3CCCC[C@H]3N)c2n1 ZINC001236215315 1041626501 /nfs/dbraw/zinc/62/65/01/1041626501.db2.gz GQELMPLYTLDOLR-HZPDHXFCSA-N 1 3 378.314 3.708 20 0 GHADHO FC(F)(F)c1ccc([C@@H]2CCCN2Cc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001236303220 1041666869 /nfs/dbraw/zinc/66/68/69/1041666869.db2.gz MYSSUJAAQKJWME-IBGZPJMESA-N 1 3 390.453 3.847 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@H+](Cc2ccc(OC)cc2)C2CCNCC2)CC1 ZINC001236442141 1041714476 /nfs/dbraw/zinc/71/44/76/1041714476.db2.gz XHQNJECGEBRATD-KESTWPANSA-N 1 3 388.552 3.619 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(OC)cc2)C2CCNCC2)CC1 ZINC001236442141 1041714488 /nfs/dbraw/zinc/71/44/88/1041714488.db2.gz XHQNJECGEBRATD-KESTWPANSA-N 1 3 388.552 3.619 20 0 GHADHO COc1cc(OC)c(CN(Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236682904 1041827923 /nfs/dbraw/zinc/82/79/23/1041827923.db2.gz ZMGSIWQHUXZTCX-WGSAOQKQSA-N 1 3 384.520 3.985 20 0 GHADHO COc1ccc(CN(Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236699578 1041839936 /nfs/dbraw/zinc/83/99/36/1041839936.db2.gz BUHFLXDEXDALPR-MXVIHJGJSA-N 1 3 384.520 3.985 20 0 GHADHO COc1ccccc1CN(Cc1cccc2c1OCCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711518 1041848155 /nfs/dbraw/zinc/84/81/55/1041848155.db2.gz RSGDFYZZWOWTAE-MXVIHJGJSA-N 1 3 382.504 3.739 20 0 GHADHO Clc1ccc2c(c1)[C@@H]1CN(Cc3cccc(CN4CC[NH2+]CC4)c3)CC[C@@H]1N2 ZINC001237237874 1042101037 /nfs/dbraw/zinc/10/10/37/1042101037.db2.gz YDMGPRXOZQZVIH-GMAHTHKFSA-N 1 3 396.966 3.529 20 0 GHADHO CCOC(=O)[C@@H]1CN(Cc2sccc2Oc2ccccc2)CCC12C[NH2+]C2 ZINC001237432003 1042205491 /nfs/dbraw/zinc/20/54/91/1042205491.db2.gz VMNWHMYIOLXFCY-KRWDZBQOSA-N 1 3 386.517 3.515 20 0 GHADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(CC(N5CCCC5)=NO4)CC3)cc21 ZINC001237880928 1042407645 /nfs/dbraw/zinc/40/76/45/1042407645.db2.gz LPDYXBRUISVQQI-UHFFFAOYSA-N 1 3 394.563 3.852 20 0 GHADHO COC1CC[NH+](C2CCN(Cc3ccc4c(c3)C(C(C)C)=NCC4)CC2)CC1 ZINC001237890142 1042411747 /nfs/dbraw/zinc/41/17/47/1042411747.db2.gz SHTNFAREHSXJSG-UHFFFAOYSA-N 1 3 383.580 3.763 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(CCc1ccc(Cl)cc1Cl)C2 ZINC001278215814 1042551140 /nfs/dbraw/zinc/55/11/40/1042551140.db2.gz HJQKCPYYBCULHO-HXUWFJFHSA-N 1 3 384.395 3.885 20 0 GHADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(CCc1ccc(Cl)cc1Cl)C2 ZINC001278215814 1042551142 /nfs/dbraw/zinc/55/11/42/1042551142.db2.gz HJQKCPYYBCULHO-HXUWFJFHSA-N 1 3 384.395 3.885 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ncc(C)cc1C)CC2 ZINC001238429372 1042593861 /nfs/dbraw/zinc/59/38/61/1042593861.db2.gz LTIUMEXBJRBEBT-JOCHJYFZSA-N 1 3 394.563 3.597 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ncc(C)cc1C)CC2 ZINC001238429372 1042593864 /nfs/dbraw/zinc/59/38/64/1042593864.db2.gz LTIUMEXBJRBEBT-JOCHJYFZSA-N 1 3 394.563 3.597 20 0 GHADHO Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001238479653 1042611981 /nfs/dbraw/zinc/61/19/81/1042611981.db2.gz GQYFBBMSZYWOOA-ISKFKSNPSA-N 1 3 386.580 3.963 20 0 GHADHO Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001238479653 1042611984 /nfs/dbraw/zinc/61/19/84/1042611984.db2.gz GQYFBBMSZYWOOA-ISKFKSNPSA-N 1 3 386.580 3.963 20 0 GHADHO CN1CCN(C2(c3ccc(-c4ncccc4C[NH+]4CCCC4)cc3)CC2)CC1 ZINC001240582056 1042942951 /nfs/dbraw/zinc/94/29/51/1042942951.db2.gz FNPDLEAGTNBPOL-UHFFFAOYSA-N 1 3 376.548 3.581 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256529954 1043460631 /nfs/dbraw/zinc/46/06/31/1043460631.db2.gz ZGYHDVBQWGJCJC-JCTONOIOSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256529954 1043460647 /nfs/dbraw/zinc/46/06/47/1043460647.db2.gz ZGYHDVBQWGJCJC-JCTONOIOSA-N 1 3 379.548 3.535 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](C3CCN(C(C)(C)C)CC3)C2)C1 ZINC001256569455 1043542369 /nfs/dbraw/zinc/54/23/69/1043542369.db2.gz GFRZECUKOUUEBR-AVRDEDQJSA-N 1 3 397.579 3.920 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](C3CCN(C(C)(C)C)CC3)C2)C1 ZINC001256569455 1043542378 /nfs/dbraw/zinc/54/23/78/1043542378.db2.gz GFRZECUKOUUEBR-AVRDEDQJSA-N 1 3 397.579 3.920 20 0 GHADHO C[C@H](Cc1ccccc1Br)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256684935 1043621168 /nfs/dbraw/zinc/62/11/68/1043621168.db2.gz WBKYVCBJVZOWLX-FAEJEUNOSA-N 1 3 381.358 3.613 20 0 GHADHO Brc1ccc2c(c1)OCC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686688 1043621854 /nfs/dbraw/zinc/62/18/54/1043621854.db2.gz BNZMAKDAOZNNDS-LEOMRAHMSA-N 1 3 395.341 3.506 20 0 GHADHO C[C@@H](Cc1ccncc1)[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001256744808 1043645767 /nfs/dbraw/zinc/64/57/67/1043645767.db2.gz ZFDYJWFAMNRSPF-NZQKXSOJSA-N 1 3 379.548 3.768 20 0 GHADHO CN(C)CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001292334361 1043690678 /nfs/dbraw/zinc/69/06/78/1043690678.db2.gz FAKLRDUSDXESOQ-HSZRJFAPSA-N 1 3 391.559 3.884 20 0 GHADHO CN(C)CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001292334361 1043690702 /nfs/dbraw/zinc/69/07/02/1043690702.db2.gz FAKLRDUSDXESOQ-HSZRJFAPSA-N 1 3 391.559 3.884 20 0 GHADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC001292497190 1043764097 /nfs/dbraw/zinc/76/40/97/1043764097.db2.gz POFZPFKAPCFXLW-KURKYZTESA-N 1 3 385.556 3.578 20 0 GHADHO COC(=O)CC1CCC([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)CC1 ZINC001256982976 1043783891 /nfs/dbraw/zinc/78/38/91/1043783891.db2.gz CBXIFMBSRAMCKI-UHFFFAOYSA-N 1 3 381.520 3.787 20 0 GHADHO CC(C)[NH+]1CCC(NC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC001257212321 1043938704 /nfs/dbraw/zinc/93/87/04/1043938704.db2.gz ZLZPKDKAUYZHOS-UHFFFAOYSA-N 1 3 381.358 3.917 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001258001626 1044329134 /nfs/dbraw/zinc/32/91/34/1044329134.db2.gz XJQLQURBUBCXOP-QWFCFKBJSA-N 1 3 379.589 3.590 20 0 GHADHO CC(C)C[NH+]1CCC(NC[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001258002773 1044330781 /nfs/dbraw/zinc/33/07/81/1044330781.db2.gz CTLJTTHBPUSCCB-MRXNPFEDSA-N 1 3 389.531 3.589 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001258002773 1044330801 /nfs/dbraw/zinc/33/08/01/1044330801.db2.gz CTLJTTHBPUSCCB-MRXNPFEDSA-N 1 3 389.531 3.589 20 0 GHADHO CC(C)CN1CCC([NH2+][C@H]2CCN(Cc3ccccc3Br)C2)CC1 ZINC001258008591 1044335091 /nfs/dbraw/zinc/33/50/91/1044335091.db2.gz YDTQFZZWACFGNG-IBGZPJMESA-N 1 3 394.401 3.733 20 0 GHADHO COc1ccccc1CC1([NH3+])CCN(C2CCN(c3ccccc3)CC2)CC1 ZINC001258507467 1044586548 /nfs/dbraw/zinc/58/65/48/1044586548.db2.gz LWOKBPCGJSUHOR-UHFFFAOYSA-N 1 3 379.548 3.700 20 0 GHADHO CCC[NH+]1CCC(N2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001258772257 1044757807 /nfs/dbraw/zinc/75/78/07/1044757807.db2.gz LKKXFSBAOOSVAY-JOCHJYFZSA-N 1 3 379.589 3.974 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4c(C)nccc34)CC2)CC1 ZINC001303468867 1047398193 /nfs/dbraw/zinc/39/81/93/1047398193.db2.gz SUMJAEVJNHQDMS-UHFFFAOYSA-N 1 3 380.536 3.678 20 0 GHADHO Brc1cncc(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]4)(C2)CCC3)c1 ZINC001279384884 1047788834 /nfs/dbraw/zinc/78/88/34/1047788834.db2.gz KVMRCDKGDIUTEE-RBUKOAKNSA-N 1 3 389.341 3.897 20 0 GHADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2ccc(Cl)cc12 ZINC001279407029 1047797208 /nfs/dbraw/zinc/79/72/08/1047797208.db2.gz KPHRMSKDYSZDDQ-AYHJJNSGSA-N 1 3 377.916 3.527 20 0 GHADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(Cl)cc12 ZINC001279407029 1047797214 /nfs/dbraw/zinc/79/72/14/1047797214.db2.gz KPHRMSKDYSZDDQ-AYHJJNSGSA-N 1 3 377.916 3.527 20 0 GHADHO COc1ccc(Cl)cc1CN1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279579516 1047847573 /nfs/dbraw/zinc/84/75/73/1047847573.db2.gz MHCQJSVNTYOOEK-NRFANRHFSA-N 1 3 379.976 3.588 20 0 GHADHO Cc1ncsc1CN1CCC[C@]2(CCC[N@@H+](CC(C)(C)CN(C)C)C2)C1 ZINC001279590460 1047858788 /nfs/dbraw/zinc/85/87/88/1047858788.db2.gz BWYWGOLPJCKTRH-NRFANRHFSA-N 1 3 378.630 3.717 20 0 GHADHO Cc1ncsc1CN1CCC[C@]2(CCC[N@H+](CC(C)(C)CN(C)C)C2)C1 ZINC001279590460 1047858806 /nfs/dbraw/zinc/85/88/06/1047858806.db2.gz BWYWGOLPJCKTRH-NRFANRHFSA-N 1 3 378.630 3.717 20 0 GHADHO Clc1c(CNC2CCN(c3cc[nH+]cc3)CC2)cnn1Cc1ccccc1 ZINC001308550136 1050006043 /nfs/dbraw/zinc/00/60/43/1050006043.db2.gz DWGYYGYBYCOJNJ-UHFFFAOYSA-N 1 3 381.911 3.738 20 0 GHADHO CC(C)(C)OC(=O)C1CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001308635795 1050042813 /nfs/dbraw/zinc/04/28/13/1050042813.db2.gz SRQSFHSAFYURBT-VQSBLYBRSA-N 1 3 384.564 3.997 20 0 GHADHO CC(C)(C)OC(=O)C1CC(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001308635795 1050042817 /nfs/dbraw/zinc/04/28/17/1050042817.db2.gz SRQSFHSAFYURBT-VQSBLYBRSA-N 1 3 384.564 3.997 20 0 GHADHO CC(C)(C)OC(=O)C1CC(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001308635795 1050042821 /nfs/dbraw/zinc/04/28/21/1050042821.db2.gz SRQSFHSAFYURBT-VQSBLYBRSA-N 1 3 384.564 3.997 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001308884132 1050139308 /nfs/dbraw/zinc/13/93/08/1050139308.db2.gz MHTLEMUMNGZJHI-RTBURBONSA-N 1 3 377.573 3.630 20 0 GHADHO CCC1([NH+]2CCCCC2)CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001330934528 1051150827 /nfs/dbraw/zinc/15/08/27/1051150827.db2.gz KCZZVBWBLHJGDX-GOSISDBHSA-N 1 3 392.975 3.690 20 0 GHADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC001311571308 1052254209 /nfs/dbraw/zinc/25/42/09/1052254209.db2.gz KHKOWALOZUXLKR-RTBURBONSA-N 1 3 392.613 3.647 20 0 GHADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC001311571308 1052254212 /nfs/dbraw/zinc/25/42/12/1052254212.db2.gz KHKOWALOZUXLKR-RTBURBONSA-N 1 3 392.613 3.647 20 0 GHADHO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001313316417 1053016116 /nfs/dbraw/zinc/01/61/16/1053016116.db2.gz RGUJRKDQNOJRJA-FXAWDEMLSA-N 1 3 394.991 3.676 20 0 GHADHO [NH2+]=C(NC[C@@H]1CCc2ccccc2C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849075716 1057583080 /nfs/dbraw/zinc/58/30/80/1057583080.db2.gz NYXZNMXHIVEUQM-HXUWFJFHSA-N 1 3 376.548 3.570 20 0 GHADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001443208491 1059084519 /nfs/dbraw/zinc/08/45/19/1059084519.db2.gz OLJATZRVWQZGID-HXUWFJFHSA-N 1 3 389.559 3.761 20 0 GHADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001443208491 1059084529 /nfs/dbraw/zinc/08/45/29/1059084529.db2.gz OLJATZRVWQZGID-HXUWFJFHSA-N 1 3 389.559 3.761 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)C2CC[NH+](CC(C)C)CC2)N(C)C)cc1 ZINC001450806957 1060697919 /nfs/dbraw/zinc/69/79/19/1060697919.db2.gz WBQVWFHWYXZYGV-HSZRJFAPSA-N 1 3 387.612 3.972 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)c2cccc(CC[NH+](C)C)c2)N2CCCC2)cc1 ZINC001464594107 1065100929 /nfs/dbraw/zinc/10/09/29/1065100929.db2.gz GGFNZLXKXLUFKA-HSZRJFAPSA-N 1 3 379.548 3.666 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[NH+](C(C)(C)CC)CC1)c1ccsc1 ZINC001467666474 1067406860 /nfs/dbraw/zinc/40/68/60/1067406860.db2.gz JAPJQWZGNDJNDD-GOSISDBHSA-N 1 3 380.602 3.647 20 0 GHADHO CCCN(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902351 1067520582 /nfs/dbraw/zinc/52/05/82/1067520582.db2.gz CBHCKPJWTZOGRI-UYAOXDASSA-N 1 3 379.976 3.961 20 0 GHADHO CCCN(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902351 1067520592 /nfs/dbraw/zinc/52/05/92/1067520592.db2.gz CBHCKPJWTZOGRI-UYAOXDASSA-N 1 3 379.976 3.961 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001468115425 1067600395 /nfs/dbraw/zinc/60/03/95/1067600395.db2.gz VVEDDPCGLOFFRX-IRLDBZIGSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001468115425 1067600400 /nfs/dbraw/zinc/60/04/00/1067600400.db2.gz VVEDDPCGLOFFRX-IRLDBZIGSA-N 1 3 383.580 3.622 20 0 GHADHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000849104478 1067730094 /nfs/dbraw/zinc/73/00/94/1067730094.db2.gz QPHGDEIWKOEKCW-JOCHJYFZSA-N 1 3 396.535 3.701 20 0 GHADHO CC(C)(C)c1ccncc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849116653 1067736213 /nfs/dbraw/zinc/73/62/13/1067736213.db2.gz RHQBVKBZUPGREZ-UHFFFAOYSA-N 1 3 379.552 3.658 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001468688615 1067825522 /nfs/dbraw/zinc/82/55/22/1067825522.db2.gz QGKXCFYAPMVYTR-OXJNMPFZSA-N 1 3 394.991 3.752 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001468688615 1067825530 /nfs/dbraw/zinc/82/55/30/1067825530.db2.gz QGKXCFYAPMVYTR-OXJNMPFZSA-N 1 3 394.991 3.752 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H](CC1CCC1)c1ccccc1)c1ccccc1 ZINC001473334830 1073925174 /nfs/dbraw/zinc/92/51/74/1073925174.db2.gz UDKCTLUNEZFKQI-PKTZIBPZSA-N 1 3 379.548 3.927 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC(c2ccnc3ccccc32)CC1 ZINC001473486992 1073985511 /nfs/dbraw/zinc/98/55/11/1073985511.db2.gz WPVKRZUGBOQEBF-QFIPXVFZSA-N 1 3 389.543 3.907 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC(c2ccnc3ccccc32)CC1 ZINC001473486992 1073985513 /nfs/dbraw/zinc/98/55/13/1073985513.db2.gz WPVKRZUGBOQEBF-QFIPXVFZSA-N 1 3 389.543 3.907 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CCC[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001473569393 1074021190 /nfs/dbraw/zinc/02/11/90/1074021190.db2.gz LRDPKPSMULVUBC-BJKOFHAPSA-N 1 3 389.547 3.831 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](CN1CCC[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001473569393 1074021197 /nfs/dbraw/zinc/02/11/97/1074021197.db2.gz LRDPKPSMULVUBC-BJKOFHAPSA-N 1 3 389.547 3.831 20 0 GHADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716958 1074104538 /nfs/dbraw/zinc/10/45/38/1074104538.db2.gz NSZFXVKYEPIXDQ-SFTDATJTSA-N 1 3 377.617 3.858 20 0 GHADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716958 1074104542 /nfs/dbraw/zinc/10/45/42/1074104542.db2.gz NSZFXVKYEPIXDQ-SFTDATJTSA-N 1 3 377.617 3.858 20 0 GHADHO CC(C)CN(CC(=O)Nc1ccccc1Br)CC1CC[NH+](C)CC1 ZINC001473739345 1074117383 /nfs/dbraw/zinc/11/73/83/1074117383.db2.gz OTDAIROHWAGBAU-UHFFFAOYSA-N 1 3 396.373 3.687 20 0 GHADHO Cc1ccc([C@H]2CC[N@@H+](CC(=O)NC[C@@H](c3ccccc3)N(C)C)C2(C)C)cc1 ZINC001473750534 1074122918 /nfs/dbraw/zinc/12/29/18/1074122918.db2.gz JVJCNWFJSJRPPM-PKTZIBPZSA-N 1 3 393.575 3.982 20 0 GHADHO Cc1ccc([C@H]2CC[N@H+](CC(=O)NC[C@@H](c3ccccc3)N(C)C)C2(C)C)cc1 ZINC001473750534 1074122921 /nfs/dbraw/zinc/12/29/21/1074122921.db2.gz JVJCNWFJSJRPPM-PKTZIBPZSA-N 1 3 393.575 3.982 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ccc(CN5CCCC5)cn4)[C@@H]3C2)cc1 ZINC001164625877 719096642 /nfs/dbraw/zinc/09/66/42/719096642.db2.gz HEWXRASKIYNUGC-XZOQPEGZSA-N 1 3 376.548 3.778 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ccc(CN5CCCC5)cn4)[C@@H]3C2)cc1 ZINC001164625877 719096646 /nfs/dbraw/zinc/09/66/46/719096646.db2.gz HEWXRASKIYNUGC-XZOQPEGZSA-N 1 3 376.548 3.778 20 0 GHADHO FC1(F)CCN(c2cc3[nH]ccc3c[nH+]2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905541 721586845 /nfs/dbraw/zinc/58/68/45/721586845.db2.gz JTESGAMWYNQJSX-HXUWFJFHSA-N 1 3 383.446 3.696 20 0 GHADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000685922502 837448140 /nfs/dbraw/zinc/44/81/40/837448140.db2.gz XBTDLWNWJCTBMK-QZTJIDSGSA-N 1 3 380.602 3.549 20 0 GHADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000685922502 837448147 /nfs/dbraw/zinc/44/81/47/837448147.db2.gz XBTDLWNWJCTBMK-QZTJIDSGSA-N 1 3 380.602 3.549 20 0 GHADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000647551244 837518076 /nfs/dbraw/zinc/51/80/76/837518076.db2.gz BYWJRBYIDGWXFK-ZGMNHVEMSA-N 1 3 391.313 3.538 20 0 GHADHO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696703 837688334 /nfs/dbraw/zinc/68/83/34/837688334.db2.gz JLYKBVLOHBAEGW-CYFREDJKSA-N 1 3 395.547 3.955 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000583526368 834570472 /nfs/dbraw/zinc/57/04/72/834570472.db2.gz IKBWJMOANSCVPN-WENLIBGGSA-N 1 3 382.552 3.623 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000583526368 834570476 /nfs/dbraw/zinc/57/04/76/834570476.db2.gz IKBWJMOANSCVPN-WENLIBGGSA-N 1 3 382.552 3.623 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000654859048 834672242 /nfs/dbraw/zinc/67/22/42/834672242.db2.gz SAXDDFUBHBTCNS-UHFFFAOYSA-N 1 3 379.548 3.527 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OCC(C)C ZINC000650722482 834689649 /nfs/dbraw/zinc/68/96/49/834689649.db2.gz VJKFGFYPZIICLN-SBHAEUEKSA-N 1 3 376.541 3.591 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000536098134 834848125 /nfs/dbraw/zinc/84/81/25/834848125.db2.gz JAPBZZUTULKMCJ-GOTSBHOMSA-N 1 3 394.563 3.773 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C3CCC3)C3CCCC3)CC2)CC1 ZINC000655158173 835310123 /nfs/dbraw/zinc/31/01/23/835310123.db2.gz QSXSXZZHELLZJK-QFIPXVFZSA-N 1 3 375.601 3.658 20 0 GHADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1C ZINC000658163713 835479861 /nfs/dbraw/zinc/47/98/61/835479861.db2.gz ADRXUKGCHBUCBU-LJQANCHMSA-N 1 3 394.563 3.917 20 0 GHADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163848 835479942 /nfs/dbraw/zinc/47/99/42/835479942.db2.gz BSOKEWAEFVDZFW-IBGZPJMESA-N 1 3 380.536 3.609 20 0 GHADHO OC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC(F)(F)CC1 ZINC000658321603 835573648 /nfs/dbraw/zinc/57/36/48/835573648.db2.gz RAGTWEUHJZCCBH-SLFFLAALSA-N 1 3 378.507 3.817 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000109311159 835796999 /nfs/dbraw/zinc/79/69/99/835796999.db2.gz CZXAHURVIKCSNN-GOTSBHOMSA-N 1 3 379.548 3.626 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000109311159 835797006 /nfs/dbraw/zinc/79/70/06/835797006.db2.gz CZXAHURVIKCSNN-GOTSBHOMSA-N 1 3 379.548 3.626 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000169139459 835858132 /nfs/dbraw/zinc/85/81/32/835858132.db2.gz XYIFDMAQYBOXJV-DJIMGWMZSA-N 1 3 385.474 3.578 20 0 GHADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000169139459 835858138 /nfs/dbraw/zinc/85/81/38/835858138.db2.gz XYIFDMAQYBOXJV-DJIMGWMZSA-N 1 3 385.474 3.578 20 0 GHADHO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000413627017 836026219 /nfs/dbraw/zinc/02/62/19/836026219.db2.gz RNEJLXLTWGAJOQ-UHFFFAOYSA-N 1 3 395.547 3.582 20 0 GHADHO C[C@@H](NCc1cccc(N2CCCC2=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155257629 836671173 /nfs/dbraw/zinc/67/11/73/836671173.db2.gz BXTPEVMISOKWIZ-GOSISDBHSA-N 1 3 381.520 3.605 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(Cl)cc1 ZINC000414323804 837109125 /nfs/dbraw/zinc/10/91/25/837109125.db2.gz JOWQMTOYDMXQOR-INIZCTEOSA-N 1 3 385.939 3.888 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377764321 837939807 /nfs/dbraw/zinc/93/98/07/837939807.db2.gz QWIRTNSPGYGRJY-YADHBBJMSA-N 1 3 392.547 3.734 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377764321 837939816 /nfs/dbraw/zinc/93/98/16/837939816.db2.gz QWIRTNSPGYGRJY-YADHBBJMSA-N 1 3 392.547 3.734 20 0 GHADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000579949481 837959309 /nfs/dbraw/zinc/95/93/09/837959309.db2.gz QENQIRCMSAJFLR-PMACEKPBSA-N 1 3 397.567 3.601 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@H]1NCc2ccccc21 ZINC000659285399 838202317 /nfs/dbraw/zinc/20/23/17/838202317.db2.gz OBNSLRLTGQFZLV-FDDCHVKYSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@H]1NCc2ccccc21 ZINC000659285399 838202329 /nfs/dbraw/zinc/20/23/29/838202329.db2.gz OBNSLRLTGQFZLV-FDDCHVKYSA-N 1 3 377.532 3.912 20 0 GHADHO CC[NH+](CC)CCOc1cc(NC(=O)C[C@H]2NCc3ccccc32)ccc1OC ZINC000659286671 838203573 /nfs/dbraw/zinc/20/35/73/838203573.db2.gz OCIUNQLZZCGQIL-HXUWFJFHSA-N 1 3 397.519 3.589 20 0 GHADHO [NH3+]Cc1cc(NC(=O)N2CCN(C3CCCCC3)CC2)cc(C(F)(F)F)c1 ZINC000415963695 838324174 /nfs/dbraw/zinc/32/41/74/838324174.db2.gz WCPNJGRVTHZFFY-UHFFFAOYSA-N 1 3 384.446 3.646 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000415996403 838373942 /nfs/dbraw/zinc/37/39/42/838373942.db2.gz MRNLTBCRLVSPKI-NFBKMPQASA-N 1 3 390.531 3.808 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415996403 838373948 /nfs/dbraw/zinc/37/39/48/838373948.db2.gz MRNLTBCRLVSPKI-NFBKMPQASA-N 1 3 390.531 3.808 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccsc1 ZINC000659433336 838385124 /nfs/dbraw/zinc/38/51/24/838385124.db2.gz AHBUXNLAXIQYGR-ICSRJNTNSA-N 1 3 392.613 3.552 20 0 GHADHO CCN(C(=O)Nc1ccc2c(c1)CNC2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000415997627 838386897 /nfs/dbraw/zinc/38/68/97/838386897.db2.gz QBSKTGKDTVOBEU-HTAPYJJXSA-N 1 3 378.520 3.979 20 0 GHADHO CCN(C(=O)Nc1ccc2c(c1)CNC2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415997627 838386906 /nfs/dbraw/zinc/38/69/06/838386906.db2.gz QBSKTGKDTVOBEU-HTAPYJJXSA-N 1 3 378.520 3.979 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275691003 838425078 /nfs/dbraw/zinc/42/50/78/838425078.db2.gz WYGSLIGUXHOHQP-QESAQDPVSA-N 1 3 382.552 3.766 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275691003 838425080 /nfs/dbraw/zinc/42/50/80/838425080.db2.gz WYGSLIGUXHOHQP-QESAQDPVSA-N 1 3 382.552 3.766 20 0 GHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(-c2ccnn2C)c1 ZINC000549401531 838642817 /nfs/dbraw/zinc/64/28/17/838642817.db2.gz LKVOKZXBEVJHOG-PMACEKPBSA-N 1 3 396.579 3.717 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3cccc4ccccc43)CC2)CC1 ZINC000107578662 838782572 /nfs/dbraw/zinc/78/25/72/838782572.db2.gz GGDIAAPLYQRNCV-RPWUZVMVSA-N 1 3 391.559 3.618 20 0 GHADHO CCCC(C)(C)N(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccs1 ZINC000549415635 838840379 /nfs/dbraw/zinc/84/03/79/838840379.db2.gz ZPRNUHOBVJTTSR-UHFFFAOYSA-N 1 3 377.598 3.872 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000580128656 838926390 /nfs/dbraw/zinc/92/63/90/838926390.db2.gz QQHMQZGCRYLLOU-ALCCZGGFSA-N 1 3 393.522 3.538 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000188765990 838941829 /nfs/dbraw/zinc/94/18/29/838941829.db2.gz IBCZGTSATIRQQS-FNORWQNLSA-N 1 3 391.987 3.913 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000312143762 838944279 /nfs/dbraw/zinc/94/42/79/838944279.db2.gz WRQZXDCGTSQYKS-UAFMIMERSA-N 1 3 379.589 3.876 20 0 GHADHO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000415072022 839168320 /nfs/dbraw/zinc/16/83/20/839168320.db2.gz VDGJZIBHDZXAAC-INIZCTEOSA-N 1 3 384.549 3.942 20 0 GHADHO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000415100925 839206114 /nfs/dbraw/zinc/20/61/14/839206114.db2.gz AWGGXDAGGIJHTM-IBGZPJMESA-N 1 3 379.508 3.514 20 0 GHADHO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000415100925 839206120 /nfs/dbraw/zinc/20/61/20/839206120.db2.gz AWGGXDAGGIJHTM-IBGZPJMESA-N 1 3 379.508 3.514 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccccc3OCc3ccccc3)CC2)C1 ZINC000415117912 839229926 /nfs/dbraw/zinc/22/99/26/839229926.db2.gz CPHHPCFICKXHJD-ISKFKSNPSA-N 1 3 380.532 3.984 20 0 GHADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c(Cl)cccc3N3CCCC3)CC2)C1 ZINC000415119899 839237980 /nfs/dbraw/zinc/23/79/80/839237980.db2.gz FTBODVHMNJIMRE-UWJYYQICSA-N 1 3 377.960 3.659 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCCOC2CCOCC2)cc1CN1CCCCC1 ZINC000183300697 839270825 /nfs/dbraw/zinc/27/08/25/839270825.db2.gz BOVGZVXYZRMVBG-LJQANCHMSA-N 1 3 390.568 3.917 20 0 GHADHO O[C@H](COc1cc(Cl)ccc1Cl)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972470 839909352 /nfs/dbraw/zinc/90/93/52/839909352.db2.gz NBPQLXFCSUEKPR-KRWDZBQOSA-N 1 3 387.351 3.541 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000580625584 839916836 /nfs/dbraw/zinc/91/68/36/839916836.db2.gz PQOMISDTGSCWLN-LJQANCHMSA-N 1 3 392.613 3.527 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000580625584 839916838 /nfs/dbraw/zinc/91/68/38/839916838.db2.gz PQOMISDTGSCWLN-LJQANCHMSA-N 1 3 392.613 3.527 20 0 GHADHO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000543872816 840887105 /nfs/dbraw/zinc/88/71/05/840887105.db2.gz HBUXTLIHVOWALH-GOSISDBHSA-N 1 3 377.548 3.664 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNCc3ccc4c(c3)oc(=O)n4C)cc2)CC1 ZINC000509768295 844607637 /nfs/dbraw/zinc/60/76/37/844607637.db2.gz VVLVXNFBGOGNSG-UHFFFAOYSA-N 1 3 379.504 3.653 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccccc3Cl)CC2)CC1 ZINC000581438536 841407877 /nfs/dbraw/zinc/40/78/77/841407877.db2.gz SBBMJRNTKVSACG-MRXNPFEDSA-N 1 3 377.960 3.714 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCC4)[C@@H]3c3ccco3)CC2)CC1 ZINC000581439234 841409346 /nfs/dbraw/zinc/40/93/46/841409346.db2.gz OFQJZODRMIHMSP-NRFANRHFSA-N 1 3 385.552 3.530 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccc(Cl)cc1 ZINC000418188323 841623938 /nfs/dbraw/zinc/62/39/38/841623938.db2.gz UCLZUZSURPCCHE-HXUWFJFHSA-N 1 3 394.991 3.754 20 0 GHADHO CSc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000581548836 841647357 /nfs/dbraw/zinc/64/73/57/841647357.db2.gz XQBPKJZTINBTPW-QFIPXVFZSA-N 1 3 397.588 3.867 20 0 GHADHO COc1cc(Br)c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785923 841923673 /nfs/dbraw/zinc/92/36/73/841923673.db2.gz NGZJXBAURCKVKT-OAHLLOKOSA-N 1 3 397.357 3.678 20 0 GHADHO CN1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000623657592 861302564 /nfs/dbraw/zinc/30/25/64/861302564.db2.gz VCMNWYDQLWSSII-LBPRGKRZSA-N 1 3 383.359 3.722 20 0 GHADHO O=C(CN1CCC[C@]2(CC=CCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000512175257 842756599 /nfs/dbraw/zinc/75/65/99/842756599.db2.gz NPXVHKNGLBGTTO-XMMPIXPASA-N 1 3 381.564 3.721 20 0 GHADHO COc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1Cl ZINC000662326763 843156283 /nfs/dbraw/zinc/15/62/83/843156283.db2.gz BPHPZSIWZZCPDS-UHFFFAOYSA-N 1 3 388.943 3.918 20 0 GHADHO O[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)Cc1ccc(F)cc1 ZINC000663368641 843330794 /nfs/dbraw/zinc/33/07/94/843330794.db2.gz LWFQWBHRKNQSJP-GGAORHGYSA-N 1 3 382.523 3.621 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000431029262 843453066 /nfs/dbraw/zinc/45/30/66/843453066.db2.gz ZXMMCXGURLQIOE-UONOGXRCSA-N 1 3 384.351 3.635 20 0 GHADHO CN(C)C[C@@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000418670291 843528086 /nfs/dbraw/zinc/52/80/86/843528086.db2.gz KGMDHEKYAURGGH-VQTJNVASSA-N 1 3 388.943 3.722 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCCC3(CCCC3)C2)CC1 ZINC000432790722 843840295 /nfs/dbraw/zinc/84/02/95/843840295.db2.gz XRXIYUMXXUFRDP-UHFFFAOYSA-N 1 3 383.580 3.732 20 0 GHADHO C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000179102733 861470272 /nfs/dbraw/zinc/47/02/72/861470272.db2.gz IRPZHQXQSRFZRX-YADARESESA-N 1 3 391.559 3.897 20 0 GHADHO Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CCC2 ZINC000512624307 844819027 /nfs/dbraw/zinc/81/90/27/844819027.db2.gz ICEKSZASGGVYNB-MYDTUXCISA-N 1 3 378.564 3.959 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN[C@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC000152138064 844836709 /nfs/dbraw/zinc/83/67/09/844836709.db2.gz LDDOIWQOENADMO-GOSISDBHSA-N 1 3 395.551 3.560 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182471667 844990916 /nfs/dbraw/zinc/99/09/16/844990916.db2.gz IAHUQLUDOKFWDC-ILWGZMRPSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182471667 844990925 /nfs/dbraw/zinc/99/09/25/844990925.db2.gz IAHUQLUDOKFWDC-ILWGZMRPSA-N 1 3 398.595 3.603 20 0 GHADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513264320 845144085 /nfs/dbraw/zinc/14/40/85/845144085.db2.gz WDRDZWAGMNKJKW-XMMPIXPASA-N 1 3 391.559 3.679 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000179390775 861560984 /nfs/dbraw/zinc/56/09/84/861560984.db2.gz NAKPYOAMPYMMBJ-GMAHTHKFSA-N 1 3 398.595 3.801 20 0 GHADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC(=O)N1CCc2sccc2C1 ZINC000411546520 845575353 /nfs/dbraw/zinc/57/53/53/845575353.db2.gz ASKAQFJJHIPLFS-IEBWSBKVSA-N 1 3 377.598 3.513 20 0 GHADHO c1cc(CN2CCC(c3nnc4n3CCCC4)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411560543 845600138 /nfs/dbraw/zinc/60/01/38/845600138.db2.gz XWZWJPLOMUXBRW-UHFFFAOYSA-N 1 3 393.579 3.980 20 0 GHADHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cccc(N2CCOC2=O)c1 ZINC000156977596 845778718 /nfs/dbraw/zinc/77/87/18/845778718.db2.gz IZDOHCCXRDIPOS-MSOLQXFVSA-N 1 3 397.519 3.995 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNCc2ccnn2-c2ccncc2)CC1 ZINC000657310163 845978822 /nfs/dbraw/zinc/97/88/22/845978822.db2.gz MNALCGQGWHRJOF-UHFFFAOYSA-N 1 3 375.520 3.789 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cc4ccc(C)cc4[nH]3)cc2)CC1 ZINC000657313222 846046500 /nfs/dbraw/zinc/04/65/00/846046500.db2.gz QPRJEIXFRWBDCJ-UHFFFAOYSA-N 1 3 376.548 3.904 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cc4ccncc4s3)cc2)CC1 ZINC000657312475 846053412 /nfs/dbraw/zinc/05/34/12/846053412.db2.gz KFXKERDTYGNURK-UHFFFAOYSA-N 1 3 380.561 3.724 20 0 GHADHO COc1ccc([C@H](Cc2ccccc2)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000582092038 846293265 /nfs/dbraw/zinc/29/32/65/846293265.db2.gz XCTPMYPXIZGTAU-VWLOTQADSA-N 1 3 395.591 3.985 20 0 GHADHO C[C@@H]([NH2+]Cc1nccc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000894241012 846418747 /nfs/dbraw/zinc/41/87/47/846418747.db2.gz FSLBRFXPXYCCOU-QGZVFWFLSA-N 1 3 378.495 3.977 20 0 GHADHO CC(C)[NH+]1CCN(CCCN2CCC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000501030233 846548293 /nfs/dbraw/zinc/54/82/93/846548293.db2.gz BXIGWIQLRMRHLP-LJQANCHMSA-N 1 3 379.976 3.599 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000502856866 846552913 /nfs/dbraw/zinc/55/29/13/846552913.db2.gz BNNRQBAELLIAGR-DENIHFKCSA-N 1 3 388.600 3.663 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000502856866 846552916 /nfs/dbraw/zinc/55/29/16/846552916.db2.gz BNNRQBAELLIAGR-DENIHFKCSA-N 1 3 388.600 3.663 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000502856869 846553307 /nfs/dbraw/zinc/55/33/07/846553307.db2.gz BNNRQBAELLIAGR-KNQAVFIVSA-N 1 3 388.600 3.663 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000502856869 846553316 /nfs/dbraw/zinc/55/33/16/846553316.db2.gz BNNRQBAELLIAGR-KNQAVFIVSA-N 1 3 388.600 3.663 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501150358 846698792 /nfs/dbraw/zinc/69/87/92/846698792.db2.gz LNXGLYKDSTWESV-IEBWSBKVSA-N 1 3 380.602 3.695 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501150358 846698797 /nfs/dbraw/zinc/69/87/97/846698797.db2.gz LNXGLYKDSTWESV-IEBWSBKVSA-N 1 3 380.602 3.695 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)N(C)C)cc1 ZINC000604083539 861739178 /nfs/dbraw/zinc/73/91/78/861739178.db2.gz OUJCXFCZONGAKQ-XZOQPEGZSA-N 1 3 394.563 3.562 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)N(C)C)cc1 ZINC000604083539 861739180 /nfs/dbraw/zinc/73/91/80/861739180.db2.gz OUJCXFCZONGAKQ-XZOQPEGZSA-N 1 3 394.563 3.562 20 0 GHADHO CCOc1cc(Cl)ccc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582495211 847418973 /nfs/dbraw/zinc/41/89/73/847418973.db2.gz AOBGCSACEXLBJJ-UHFFFAOYSA-N 1 3 393.959 3.874 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422728204 847800761 /nfs/dbraw/zinc/80/07/61/847800761.db2.gz IVSJJAGMUCEEDY-GOEBONIOSA-N 1 3 394.441 3.677 20 0 GHADHO COc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)N2CCCCC2)cc1 ZINC000422769882 847815719 /nfs/dbraw/zinc/81/57/19/847815719.db2.gz VLFMBGPIINFESF-IEXUWNMDSA-N 1 3 381.564 3.770 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)Oc1cccc(Br)c1 ZINC000422799233 847827889 /nfs/dbraw/zinc/82/78/89/847827889.db2.gz VVCHQYYGQNTJQR-OLZOCXBDSA-N 1 3 378.314 3.729 20 0 GHADHO COc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1OCC(F)(F)F ZINC000422833854 847845726 /nfs/dbraw/zinc/84/57/26/847845726.db2.gz WSFRICALFJIVPI-GFCCVEGCSA-N 1 3 383.414 3.649 20 0 GHADHO [NH3+][C@H]1CCCCC[C@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422887903 847872008 /nfs/dbraw/zinc/87/20/08/847872008.db2.gz BPRREEANNPRYEM-RBUKOAKNSA-N 1 3 380.374 3.663 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422910117 847882462 /nfs/dbraw/zinc/88/24/62/847882462.db2.gz PUNVDCNGGPISRJ-DNVCBOLYSA-N 1 3 390.934 3.956 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000422944004 847908452 /nfs/dbraw/zinc/90/84/52/847908452.db2.gz LWPVVOIDCLWRLB-QBZTVIHSSA-N 1 3 385.596 3.696 20 0 GHADHO C[C@H](NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422944978 847908546 /nfs/dbraw/zinc/90/85/46/847908546.db2.gz MMIRPXUHRABYGN-INIZCTEOSA-N 1 3 380.923 3.933 20 0 GHADHO c1ccc([C@H](C[C@@H]2CCOC2)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423007909 847934945 /nfs/dbraw/zinc/93/49/45/847934945.db2.gz ZBRZIFALEGJAJF-CKLTXHEASA-N 1 3 378.516 4.000 20 0 GHADHO CCC(CC)(CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000503797598 847949653 /nfs/dbraw/zinc/94/96/53/847949653.db2.gz WJTOUYGUVCCFMX-GHTZIAJQSA-N 1 3 386.584 3.774 20 0 GHADHO CC(C)CCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593803 848284928 /nfs/dbraw/zinc/28/49/28/848284928.db2.gz KZSKKQGELDWHDL-HSZRJFAPSA-N 1 3 382.548 3.968 20 0 GHADHO CC(C)CCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593803 848284941 /nfs/dbraw/zinc/28/49/41/848284941.db2.gz KZSKKQGELDWHDL-HSZRJFAPSA-N 1 3 382.548 3.968 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cnc(-c4ccccc4)s3)cc2)C1 ZINC000657593915 848285299 /nfs/dbraw/zinc/28/52/99/848285299.db2.gz CMVQRONDMWFTFC-HXUWFJFHSA-N 1 3 379.529 3.667 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cnc(-c4ccccc4)s3)cc2)C1 ZINC000657593915 848285308 /nfs/dbraw/zinc/28/53/08/848285308.db2.gz CMVQRONDMWFTFC-HXUWFJFHSA-N 1 3 379.529 3.667 20 0 GHADHO CC1(C)CC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000604156067 861900330 /nfs/dbraw/zinc/90/03/30/861900330.db2.gz APJDPBJPOSFEHB-HXUWFJFHSA-N 1 3 386.584 3.822 20 0 GHADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000599986032 861982750 /nfs/dbraw/zinc/98/27/50/861982750.db2.gz FRRDHIAJJBNHHH-HXUWFJFHSA-N 1 3 385.596 3.661 20 0 GHADHO Cc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1I ZINC000423096688 849742098 /nfs/dbraw/zinc/74/20/98/849742098.db2.gz IBVXVKOTAANNIQ-GFCCVEGCSA-N 1 3 395.288 3.613 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000423340649 849873925 /nfs/dbraw/zinc/87/39/25/849873925.db2.gz SUSAEWFXFMUOOV-BULFRSBZSA-N 1 3 398.547 3.687 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423407115 849911806 /nfs/dbraw/zinc/91/18/06/849911806.db2.gz VJFHENQWTUMJII-MISXGVKJSA-N 1 3 377.838 3.664 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423407115 849911813 /nfs/dbraw/zinc/91/18/13/849911813.db2.gz VJFHENQWTUMJII-MISXGVKJSA-N 1 3 377.838 3.664 20 0 GHADHO COC(=O)c1cccc(-c2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)c1 ZINC000424291337 850335411 /nfs/dbraw/zinc/33/54/11/850335411.db2.gz NNERNAWCCITLLS-OAHLLOKOSA-N 1 3 385.533 3.561 20 0 GHADHO COC(=O)c1ccc(-c2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424296590 850339924 /nfs/dbraw/zinc/33/99/24/850339924.db2.gz RZCVSNQOMBOOPL-OAHLLOKOSA-N 1 3 385.533 3.561 20 0 GHADHO C[C@H]1CC2(CN1Cc1nc(-c3ccc(Br)cc3)c[nH]1)CC[NH2+]CC2 ZINC000424379751 850417862 /nfs/dbraw/zinc/41/78/62/850417862.db2.gz OYEIUFMSNSXKJE-AWEZNQCLSA-N 1 3 389.341 3.803 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H](F)C1 ZINC001167965328 850491556 /nfs/dbraw/zinc/49/15/56/850491556.db2.gz BERDOKSGGZMCFZ-DZJYIKFMSA-N 1 3 395.563 3.577 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H](F)C1 ZINC001167965328 850491565 /nfs/dbraw/zinc/49/15/65/850491565.db2.gz BERDOKSGGZMCFZ-DZJYIKFMSA-N 1 3 395.563 3.577 20 0 GHADHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc(Br)c1OC(F)F ZINC000414812154 850682150 /nfs/dbraw/zinc/68/21/50/850682150.db2.gz WXULFZRVAMNRAT-AAEUAGOBSA-N 1 3 393.272 3.666 20 0 GHADHO CCOc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc(Br)c1[O-] ZINC000668783854 850777007 /nfs/dbraw/zinc/77/70/07/850777007.db2.gz WJJSBQKEDFBDMX-UHFFFAOYSA-N 1 3 397.357 3.765 20 0 GHADHO C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000487819747 850912222 /nfs/dbraw/zinc/91/22/22/850912222.db2.gz QPIUTXDZTSRXAU-PGRDOPGGSA-N 1 3 386.584 3.632 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)C[C@H](C)O1 ZINC000425412773 850961395 /nfs/dbraw/zinc/96/13/95/850961395.db2.gz CCJCCVVHZOPCMG-PMACEKPBSA-N 1 3 394.563 3.855 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000488532325 851589449 /nfs/dbraw/zinc/58/94/49/851589449.db2.gz NCIOGQUPCWLJFZ-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000488532325 851589458 /nfs/dbraw/zinc/58/94/58/851589458.db2.gz NCIOGQUPCWLJFZ-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO Clc1cccc(N2CCOCC2)c1CNCCCCC[NH+]1CCCCC1 ZINC000550144623 851745244 /nfs/dbraw/zinc/74/52/44/851745244.db2.gz HOVCOYHEPMAECT-UHFFFAOYSA-N 1 3 379.976 3.922 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)[nH]c1C(C)C ZINC000894693654 851938163 /nfs/dbraw/zinc/93/81/63/851938163.db2.gz ZXOAGDIPMUUQCH-UHFFFAOYSA-N 1 3 399.535 3.688 20 0 GHADHO C[C@@H]1C[NH+](CCC2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)C[C@@H](C)O1 ZINC000438119480 852027095 /nfs/dbraw/zinc/02/70/95/852027095.db2.gz SXTAQOKDCGLMPL-IAGOWNOFSA-N 1 3 388.581 3.850 20 0 GHADHO Fc1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc(F)c1F ZINC000517542732 852072895 /nfs/dbraw/zinc/07/28/95/852072895.db2.gz LYHOAOIWTHRWSK-UHFFFAOYSA-N 1 3 391.481 3.792 20 0 GHADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000517893724 852584412 /nfs/dbraw/zinc/58/44/12/852584412.db2.gz LCIRMRXOOHJKKZ-OAQYLSRUSA-N 1 3 380.536 3.774 20 0 GHADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000507362443 852841593 /nfs/dbraw/zinc/84/15/93/852841593.db2.gz RABJRLLEHQXLFY-OAQYLSRUSA-N 1 3 376.585 3.837 20 0 GHADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000507362443 852841598 /nfs/dbraw/zinc/84/15/98/852841598.db2.gz RABJRLLEHQXLFY-OAQYLSRUSA-N 1 3 376.585 3.837 20 0 GHADHO CN(C[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001167985785 852923009 /nfs/dbraw/zinc/92/30/09/852923009.db2.gz ZXKLVAHRGAXTCO-CBQMWWCCSA-N 1 3 391.600 3.971 20 0 GHADHO CN(C[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001167985785 852923014 /nfs/dbraw/zinc/92/30/14/852923014.db2.gz ZXKLVAHRGAXTCO-CBQMWWCCSA-N 1 3 391.600 3.971 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000516921645 853159146 /nfs/dbraw/zinc/15/91/46/853159146.db2.gz CKPFSUHLODMGSU-XMMPIXPASA-N 1 3 396.575 3.864 20 0 GHADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000572702554 854939597 /nfs/dbraw/zinc/93/95/97/854939597.db2.gz RPFWCIZZAZTDEI-UZLBHIALSA-N 1 3 388.556 3.686 20 0 GHADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000572702554 854939605 /nfs/dbraw/zinc/93/96/05/854939605.db2.gz RPFWCIZZAZTDEI-UZLBHIALSA-N 1 3 388.556 3.686 20 0 GHADHO O[C@@H](CN1CC[C@@H](C[NH+]2CCCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000441462510 855016174 /nfs/dbraw/zinc/01/61/74/855016174.db2.gz IQUWYBBBPAAISO-SFTDATJTSA-N 1 3 391.559 3.963 20 0 GHADHO O[C@H](Cn1c2ccccc2c2ccccc21)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000441462510 855016180 /nfs/dbraw/zinc/01/61/80/855016180.db2.gz IQUWYBBBPAAISO-SFTDATJTSA-N 1 3 391.559 3.963 20 0 GHADHO O[C@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000441462510 855016186 /nfs/dbraw/zinc/01/61/86/855016186.db2.gz IQUWYBBBPAAISO-SFTDATJTSA-N 1 3 391.559 3.963 20 0 GHADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(N2CCCC2)n1 ZINC000572846902 855040808 /nfs/dbraw/zinc/04/08/08/855040808.db2.gz LKKNTXGDYZSHJR-REWPJTCUSA-N 1 3 378.564 3.990 20 0 GHADHO CNC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000482064680 862666680 /nfs/dbraw/zinc/66/66/80/862666680.db2.gz BSXMPRYHZLDWEY-GPJHCHHRSA-N 1 3 377.532 3.649 20 0 GHADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000465809543 856103873 /nfs/dbraw/zinc/10/38/73/856103873.db2.gz KDVWQNOSYDZLDO-QFIPXVFZSA-N 1 3 386.584 3.553 20 0 GHADHO C[C@H](C(=O)N1CCCCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485481829 856654244 /nfs/dbraw/zinc/65/42/44/856654244.db2.gz VMEQTFDTCYTVOV-OAQYLSRUSA-N 1 3 383.580 3.766 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000045790297 856766183 /nfs/dbraw/zinc/76/61/83/856766183.db2.gz OAJQZZHRKRROKY-UHFFFAOYSA-N 1 3 396.579 3.800 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000045790297 856766188 /nfs/dbraw/zinc/76/61/88/856766188.db2.gz OAJQZZHRKRROKY-UHFFFAOYSA-N 1 3 396.579 3.800 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(C(=O)OC(C)(C)C)CCOCC2)CC1 ZINC000592394450 856803651 /nfs/dbraw/zinc/80/36/51/856803651.db2.gz OLUZIJPWZXNJEN-UYAOXDASSA-N 1 3 394.600 3.758 20 0 GHADHO COCCOCc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000574003000 856851790 /nfs/dbraw/zinc/85/17/90/856851790.db2.gz SOLGMGZNZSVRKU-VWLOTQADSA-N 1 3 394.559 3.948 20 0 GHADHO COCCOCc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000574003000 856851800 /nfs/dbraw/zinc/85/18/00/856851800.db2.gz SOLGMGZNZSVRKU-VWLOTQADSA-N 1 3 394.559 3.948 20 0 GHADHO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000674872017 856862412 /nfs/dbraw/zinc/86/24/12/856862412.db2.gz JYGXDHJNQNBDJL-JOCHJYFZSA-N 1 3 398.551 3.580 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2OCCc3ccccc32)CC1 ZINC000674882376 856882806 /nfs/dbraw/zinc/88/28/06/856882806.db2.gz KDIUOCQLRCOFEZ-DEOSSOPVSA-N 1 3 379.548 3.622 20 0 GHADHO COC(=O)c1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000592492327 856898824 /nfs/dbraw/zinc/89/88/24/856898824.db2.gz YMTQNGZNWOMJSU-MOPGFXCFSA-N 1 3 399.560 3.808 20 0 GHADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185685 862872958 /nfs/dbraw/zinc/87/29/58/862872958.db2.gz MYIWBBCKZJHUCG-VQIMIIECSA-N 1 3 385.474 3.546 20 0 GHADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185685 862872973 /nfs/dbraw/zinc/87/29/73/862872973.db2.gz MYIWBBCKZJHUCG-VQIMIIECSA-N 1 3 385.474 3.546 20 0 GHADHO CC(C)Oc1ccccc1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000175060679 857429520 /nfs/dbraw/zinc/42/95/20/857429520.db2.gz WRZQDZUYNQZRDW-UHFFFAOYSA-N 1 3 388.556 3.546 20 0 GHADHO CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000675580047 857513062 /nfs/dbraw/zinc/51/30/62/857513062.db2.gz RQDWOURRDPPXFE-HSZRJFAPSA-N 1 3 377.532 3.629 20 0 GHADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000671740287 857751694 /nfs/dbraw/zinc/75/16/94/857751694.db2.gz GXQGVYDIYWXNKI-JVICHNFNSA-N 1 3 390.575 3.923 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@@H]2CCC[C@@H]21 ZINC000671743457 857768886 /nfs/dbraw/zinc/76/88/86/857768886.db2.gz NKKVFGAGRUNXMA-BZSNNMDCSA-N 1 3 378.442 3.854 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@@H]2CCC[C@@H]21 ZINC000671743457 857768892 /nfs/dbraw/zinc/76/88/92/857768892.db2.gz NKKVFGAGRUNXMA-BZSNNMDCSA-N 1 3 378.442 3.854 20 0 GHADHO CC(C)(C)N1CCC([NH2+]CCc2ccc(I)cc2)CC1 ZINC000595096119 858418784 /nfs/dbraw/zinc/41/87/84/858418784.db2.gz VYUWGIZGPWRXMI-UHFFFAOYSA-N 1 3 386.321 3.686 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000499682934 858822923 /nfs/dbraw/zinc/82/29/23/858822923.db2.gz KSDXULYLUIBJIB-BJKOFHAPSA-N 1 3 398.522 3.872 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3cnc(-c4ccsc4)s3)CC2)CC1 ZINC000543619040 859039720 /nfs/dbraw/zinc/03/97/20/859039720.db2.gz XIIKTNVOGOYMOE-UHFFFAOYSA-N 1 3 390.622 3.721 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000543393036 859539146 /nfs/dbraw/zinc/53/91/46/859539146.db2.gz PLPWIDXZZBPEBO-QZTJIDSGSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000543393036 859539156 /nfs/dbraw/zinc/53/91/56/859539156.db2.gz PLPWIDXZZBPEBO-QZTJIDSGSA-N 1 3 379.976 3.931 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)C2)ccn1 ZINC000856559550 881433872 /nfs/dbraw/zinc/43/38/72/881433872.db2.gz PSOVVCAEGQXEQB-FQEVSTJZSA-N 1 3 395.507 3.558 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)C2)ccn1 ZINC000856559550 881433911 /nfs/dbraw/zinc/43/39/11/881433911.db2.gz PSOVVCAEGQXEQB-FQEVSTJZSA-N 1 3 395.507 3.558 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856560833 881444960 /nfs/dbraw/zinc/44/49/60/881444960.db2.gz PHYSPFWXGPIKMI-QFIPXVFZSA-N 1 3 381.520 3.510 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856560833 881444969 /nfs/dbraw/zinc/44/49/69/881444969.db2.gz PHYSPFWXGPIKMI-QFIPXVFZSA-N 1 3 381.520 3.510 20 0 GHADHO Cc1nc2scc(CC(C)C)c2c(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000602614094 860153075 /nfs/dbraw/zinc/15/30/75/860153075.db2.gz TUNLQGDKKRELBA-KRWDZBQOSA-N 1 3 387.597 3.779 20 0 GHADHO C[N@H+](CCCN1CCCC1)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000499926296 860181009 /nfs/dbraw/zinc/18/10/09/860181009.db2.gz FHJYLOWWAKLXJP-JOCHJYFZSA-N 1 3 385.577 3.762 20 0 GHADHO C[N@@H+](CCCN1CCCC1)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000499926296 860181013 /nfs/dbraw/zinc/18/10/13/860181013.db2.gz FHJYLOWWAKLXJP-JOCHJYFZSA-N 1 3 385.577 3.762 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698908 860418724 /nfs/dbraw/zinc/41/87/24/860418724.db2.gz VEQJFFJWYWQIMV-KGVIQGDOSA-N 1 3 377.532 3.909 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698908 860418733 /nfs/dbraw/zinc/41/87/33/860418733.db2.gz VEQJFFJWYWQIMV-KGVIQGDOSA-N 1 3 377.532 3.909 20 0 GHADHO CC(C)(C)OC(=O)Nc1ncc(CNC2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000922844626 860665456 /nfs/dbraw/zinc/66/54/56/860665456.db2.gz HIQJCXFBLHSWLD-UHFFFAOYSA-N 1 3 380.558 3.987 20 0 GHADHO CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603903 881577462 /nfs/dbraw/zinc/57/74/62/881577462.db2.gz GYCZEKDIPDVGDB-ZEQRLZLVSA-N 1 3 397.563 3.633 20 0 GHADHO CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603903 881577473 /nfs/dbraw/zinc/57/74/73/881577473.db2.gz GYCZEKDIPDVGDB-ZEQRLZLVSA-N 1 3 397.563 3.633 20 0 GHADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734880 863164871 /nfs/dbraw/zinc/16/48/71/863164871.db2.gz IYUAZTAZQLDYAC-LPHOPBHVSA-N 1 3 385.474 3.545 20 0 GHADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734880 863164878 /nfs/dbraw/zinc/16/48/78/863164878.db2.gz IYUAZTAZQLDYAC-LPHOPBHVSA-N 1 3 385.474 3.545 20 0 GHADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522829831 863496551 /nfs/dbraw/zinc/49/65/51/863496551.db2.gz FHGQRBLNQUXJHN-QFIPXVFZSA-N 1 3 392.547 3.571 20 0 GHADHO Cc1cccc(C2(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCCC2)c1 ZINC000103312142 863954015 /nfs/dbraw/zinc/95/40/15/863954015.db2.gz BSPZYOWKHXVXID-UHFFFAOYSA-N 1 3 398.595 3.622 20 0 GHADHO CCOC(=O)c1ncc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898516888 864072486 /nfs/dbraw/zinc/07/24/86/864072486.db2.gz CWMNJCFVQLHGRR-CEXWTWQISA-N 1 3 399.560 3.710 20 0 GHADHO CCOC(=O)c1ncc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898516888 864072503 /nfs/dbraw/zinc/07/25/03/864072503.db2.gz CWMNJCFVQLHGRR-CEXWTWQISA-N 1 3 399.560 3.710 20 0 GHADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000607167934 864129516 /nfs/dbraw/zinc/12/95/16/864129516.db2.gz VEXXHNQVFRPPAX-UHFFFAOYSA-N 1 3 395.366 3.724 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNC(=O)c3cccc(CN(C)C)c3)c2)CC1 ZINC000607385377 864328770 /nfs/dbraw/zinc/32/87/70/864328770.db2.gz NBAMOARVMXEFSP-UHFFFAOYSA-N 1 3 379.548 3.910 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCN(C(C)=O)c3ccccc32)cc1 ZINC000621749542 864374322 /nfs/dbraw/zinc/37/43/22/864374322.db2.gz ABBPGGPBBQOLSP-HSZRJFAPSA-N 1 3 395.547 3.995 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000480275632 864385659 /nfs/dbraw/zinc/38/56/59/864385659.db2.gz DTBWKAWLQKGMMN-PXDATVDWSA-N 1 3 377.576 3.935 20 0 GHADHO CCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475171955 864394165 /nfs/dbraw/zinc/39/41/65/864394165.db2.gz GFYGJWGXFVARMJ-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO Cc1cccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1C ZINC000537632240 881768772 /nfs/dbraw/zinc/76/87/72/881768772.db2.gz DHLGQJGFFYCJJW-UHFFFAOYSA-N 1 3 393.575 3.764 20 0 GHADHO CCO[C@@H]1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@H]1Oc1ccccc1 ZINC000480327242 864504282 /nfs/dbraw/zinc/50/42/82/864504282.db2.gz LMGVCVKKFSNDFV-RBZQAINGSA-N 1 3 380.532 3.866 20 0 GHADHO CN1CCN(c2cc(C[NH2+]Cc3ccc(-c4cccc(F)c4F)o3)ccn2)CC1 ZINC000480660725 865032001 /nfs/dbraw/zinc/03/20/01/865032001.db2.gz GKWAUTUHXGLTLZ-UHFFFAOYSA-N 1 3 398.457 3.661 20 0 GHADHO Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4C)CC2)c2ccc(F)c(F)c2n1 ZINC000302751837 865906133 /nfs/dbraw/zinc/90/61/33/865906133.db2.gz VMBTZVXTMTZMIE-SJPCQFCGSA-N 1 3 386.490 3.569 20 0 GHADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000534020234 865988825 /nfs/dbraw/zinc/98/88/25/865988825.db2.gz MTAPHTJLRARJEH-GOTSBHOMSA-N 1 3 395.547 3.582 20 0 GHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000620190149 866519513 /nfs/dbraw/zinc/51/95/13/866519513.db2.gz AJMVLGONQBNARV-QHCPKHFHSA-N 1 3 383.580 3.766 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000153685462 867025036 /nfs/dbraw/zinc/02/50/36/867025036.db2.gz BLUHJDVROCDZOP-NZQKXSOJSA-N 1 3 379.548 3.523 20 0 GHADHO CN1CC[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1c1ccccc1 ZINC000534612072 867138984 /nfs/dbraw/zinc/13/89/84/867138984.db2.gz SBYBGFWYAYOZNY-YTFSRNRJSA-N 1 3 392.547 3.568 20 0 GHADHO CN1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@H]1c1ccccc1 ZINC000857165777 882071521 /nfs/dbraw/zinc/07/15/21/882071521.db2.gz ZKYQKOJNRIZBHV-RJGXRXQPSA-N 1 3 377.532 3.671 20 0 GHADHO CN1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@H]1c1ccccc1 ZINC000857165777 882071540 /nfs/dbraw/zinc/07/15/40/882071540.db2.gz ZKYQKOJNRIZBHV-RJGXRXQPSA-N 1 3 377.532 3.671 20 0 GHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154341006 867361081 /nfs/dbraw/zinc/36/10/81/867361081.db2.gz CFJJDDBRPBOVFP-MRXNPFEDSA-N 1 3 390.572 3.936 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479330117 867576758 /nfs/dbraw/zinc/57/67/58/867576758.db2.gz WYAWYQQPZLNTQY-LJQANCHMSA-N 1 3 394.401 3.789 20 0 GHADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000479360779 867597290 /nfs/dbraw/zinc/59/72/90/867597290.db2.gz PMFZZKSOSDXDDX-HSZRJFAPSA-N 1 3 390.531 3.980 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)N(C)C)cc1 ZINC000523902537 868252864 /nfs/dbraw/zinc/25/28/64/868252864.db2.gz NBHVXDAYPWAZIN-OIBXWCBGSA-N 1 3 394.563 3.732 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)N(C)C)cc1 ZINC000523902537 868252877 /nfs/dbraw/zinc/25/28/77/868252877.db2.gz NBHVXDAYPWAZIN-OIBXWCBGSA-N 1 3 394.563 3.732 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479652233 868307967 /nfs/dbraw/zinc/30/79/67/868307967.db2.gz YBAPBHFJOBMQNT-SJBKTWHCSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479652233 868307975 /nfs/dbraw/zinc/30/79/75/868307975.db2.gz YBAPBHFJOBMQNT-SJBKTWHCSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000157648341 868717078 /nfs/dbraw/zinc/71/70/78/868717078.db2.gz WAAXSZADPYYURI-MOPGFXCFSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000157648341 868717084 /nfs/dbraw/zinc/71/70/84/868717084.db2.gz WAAXSZADPYYURI-MOPGFXCFSA-N 1 3 390.535 3.745 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(-c4nc(C)c[nH]4)cc3)CC2)CC1 ZINC000898386043 868784788 /nfs/dbraw/zinc/78/47/88/868784788.db2.gz VEDQCAAJUKILHK-UHFFFAOYSA-N 1 3 395.551 3.520 20 0 GHADHO C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000524422971 869049597 /nfs/dbraw/zinc/04/95/97/869049597.db2.gz QBKIHWQXNBPUTC-FQEVSTJZSA-N 1 3 383.511 3.781 20 0 GHADHO Cc1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)c(OCC[NH+](C)C)c1 ZINC000524599715 869326963 /nfs/dbraw/zinc/32/69/63/869326963.db2.gz SZOMJDODOQZZTR-UHFFFAOYSA-N 1 3 390.572 3.521 20 0 GHADHO CCc1ccc(-c2ccc(C[NH2+]Cc3ccnc(N4CCN(C)CC4)c3)o2)cc1 ZINC000524773100 869553583 /nfs/dbraw/zinc/55/35/83/869553583.db2.gz YEUGQQOJIFYNSM-UHFFFAOYSA-N 1 3 390.531 3.946 20 0 GHADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248403651 870378393 /nfs/dbraw/zinc/37/83/93/870378393.db2.gz OWJPOCCFZWJGNQ-BHDDXSALSA-N 1 3 395.547 3.598 20 0 GHADHO Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CC2)nc1 ZINC000248406039 870379029 /nfs/dbraw/zinc/37/90/29/870379029.db2.gz BOAPDGVLFDVEQB-QPTUXGOLSA-N 1 3 390.575 3.859 20 0 GHADHO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248419232 870398216 /nfs/dbraw/zinc/39/82/16/870398216.db2.gz UUBGXVQETYZTKX-FEGXGRLVSA-N 1 3 389.543 3.572 20 0 GHADHO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248419233 870399105 /nfs/dbraw/zinc/39/91/05/870399105.db2.gz UUBGXVQETYZTKX-IQKBUIRBSA-N 1 3 389.543 3.572 20 0 GHADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H](c2ccc(F)cc2)CC1)c1ccccc1 ZINC001192515709 870446659 /nfs/dbraw/zinc/44/66/59/870446659.db2.gz RFZDZDKUQHIUBV-AUSIDOKSSA-N 1 3 397.538 3.814 20 0 GHADHO Cc1ccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c(C)c1 ZINC000538734711 870478823 /nfs/dbraw/zinc/47/88/23/870478823.db2.gz XSOFQBJRBNDENK-UHFFFAOYSA-N 1 3 393.575 3.764 20 0 GHADHO CO[C@@H]1CCCN(Cc2cc(C[N@@H+]3CCC[C@@H](OC)CC3)ccc2F)CC1 ZINC000649421973 870772228 /nfs/dbraw/zinc/77/22/28/870772228.db2.gz YNXVTFVXQGUAGM-NHCUHLMSSA-N 1 3 378.532 3.828 20 0 GHADHO CO[C@@H]1CCCN(Cc2cc(C[N@H+]3CCC[C@@H](OC)CC3)ccc2F)CC1 ZINC000649421973 870772233 /nfs/dbraw/zinc/77/22/33/870772233.db2.gz YNXVTFVXQGUAGM-NHCUHLMSSA-N 1 3 378.532 3.828 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCCS2 ZINC000249183691 870783122 /nfs/dbraw/zinc/78/31/22/870783122.db2.gz JPZQDYBYFLZYOS-DENIHFKCSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCS2 ZINC000249183691 870783136 /nfs/dbraw/zinc/78/31/36/870783136.db2.gz JPZQDYBYFLZYOS-DENIHFKCSA-N 1 3 398.572 3.979 20 0 GHADHO CN(Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022996 870851151 /nfs/dbraw/zinc/85/11/51/870851151.db2.gz YIEUNBCNRAANBX-ZEQRLZLVSA-N 1 3 391.559 3.599 20 0 GHADHO CN(Cc1ccccc1)C[C@@H](C[N@H+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022996 870851159 /nfs/dbraw/zinc/85/11/59/870851159.db2.gz YIEUNBCNRAANBX-ZEQRLZLVSA-N 1 3 391.559 3.599 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000463137630 870990486 /nfs/dbraw/zinc/99/04/86/870990486.db2.gz LMWQLVJUXVMPKB-NWSQWKLXSA-N 1 3 381.564 3.941 20 0 GHADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000463137630 870990496 /nfs/dbraw/zinc/99/04/96/870990496.db2.gz LMWQLVJUXVMPKB-NWSQWKLXSA-N 1 3 381.564 3.941 20 0 GHADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000463137630 870990508 /nfs/dbraw/zinc/99/05/08/870990508.db2.gz LMWQLVJUXVMPKB-NWSQWKLXSA-N 1 3 381.564 3.941 20 0 GHADHO CC[NH+]1CCC(NCc2ccccc2-c2ccc(Cn3cncn3)cc2)CC1 ZINC000461885094 871177002 /nfs/dbraw/zinc/17/70/02/871177002.db2.gz RYWBFQZVFKYOFK-UHFFFAOYSA-N 1 3 375.520 3.567 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC001193648670 871214973 /nfs/dbraw/zinc/21/49/73/871214973.db2.gz HSNUSUXUHLANCW-WIYYLYMNSA-N 1 3 390.568 3.869 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131434 871220909 /nfs/dbraw/zinc/22/09/09/871220909.db2.gz URGAEQLQMJMKRA-AXVVYFOYSA-N 1 3 399.526 3.580 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131434 871220931 /nfs/dbraw/zinc/22/09/31/871220931.db2.gz URGAEQLQMJMKRA-AXVVYFOYSA-N 1 3 399.526 3.580 20 0 GHADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001169447237 871508555 /nfs/dbraw/zinc/50/85/55/871508555.db2.gz SKDPLSGGPRRMOG-QGZVFWFLSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001169539928 871617119 /nfs/dbraw/zinc/61/71/19/871617119.db2.gz KZNYRFQTRNWBFD-AVRDEDQJSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001169539928 871617125 /nfs/dbraw/zinc/61/71/25/871617125.db2.gz KZNYRFQTRNWBFD-AVRDEDQJSA-N 1 3 390.531 3.931 20 0 GHADHO FC(F)(F)c1cnc(OCC[NH2+]C2CCN(CC3CC3)CC2)c(Cl)c1 ZINC000539260677 871617447 /nfs/dbraw/zinc/61/74/47/871617447.db2.gz QYSBUXXZMJFSSL-UHFFFAOYSA-N 1 3 377.838 3.597 20 0 GHADHO CC(=O)N1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001169589958 871649620 /nfs/dbraw/zinc/64/96/20/871649620.db2.gz WHCNBRWOVORNJD-ISJGIBHGSA-N 1 3 391.559 3.645 20 0 GHADHO CC(=O)N1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001169589958 871649629 /nfs/dbraw/zinc/64/96/29/871649629.db2.gz WHCNBRWOVORNJD-ISJGIBHGSA-N 1 3 391.559 3.645 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([NH+]2CCC(N(CC)Cc3ccccc3)CC2)CC1 ZINC001169703719 871787234 /nfs/dbraw/zinc/78/72/34/871787234.db2.gz PMSROYVUFOAZQR-OAQYLSRUSA-N 1 3 387.568 3.984 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477920527 872148472 /nfs/dbraw/zinc/14/84/72/872148472.db2.gz FDRPUJMVTSJYLO-OAHLLOKOSA-N 1 3 396.373 3.878 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477920527 872148480 /nfs/dbraw/zinc/14/84/80/872148480.db2.gz FDRPUJMVTSJYLO-OAHLLOKOSA-N 1 3 396.373 3.878 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000526982240 872413940 /nfs/dbraw/zinc/41/39/40/872413940.db2.gz LGBVJQAJLDUQFF-LPHOPBHVSA-N 1 3 381.545 3.600 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000526982240 872413947 /nfs/dbraw/zinc/41/39/47/872413947.db2.gz LGBVJQAJLDUQFF-LPHOPBHVSA-N 1 3 381.545 3.600 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000526982241 872414481 /nfs/dbraw/zinc/41/44/81/872414481.db2.gz LGBVJQAJLDUQFF-QFBILLFUSA-N 1 3 381.545 3.600 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000526982241 872414492 /nfs/dbraw/zinc/41/44/92/872414492.db2.gz LGBVJQAJLDUQFF-QFBILLFUSA-N 1 3 381.545 3.600 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000526982242 872414643 /nfs/dbraw/zinc/41/46/43/872414643.db2.gz LGBVJQAJLDUQFF-VQIMIIECSA-N 1 3 381.545 3.600 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000526982242 872414651 /nfs/dbraw/zinc/41/46/51/872414651.db2.gz LGBVJQAJLDUQFF-VQIMIIECSA-N 1 3 381.545 3.600 20 0 GHADHO Cc1ccc(CCC[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cn1 ZINC000552363031 872519964 /nfs/dbraw/zinc/51/99/64/872519964.db2.gz XPIMKDSWWXIRJJ-XMMPIXPASA-N 1 3 393.575 3.841 20 0 GHADHO COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000527972940 873814325 /nfs/dbraw/zinc/81/43/25/873814325.db2.gz ZSBULAGXNZFLHE-NKKJXINNSA-N 1 3 393.575 3.770 20 0 GHADHO CC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000550882097 882763396 /nfs/dbraw/zinc/76/33/96/882763396.db2.gz IMEFQUYUSXIYKN-XZOQPEGZSA-N 1 3 386.580 3.710 20 0 GHADHO c1ccc(CN2C[C@@H](C[NH2+]C3Cc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882001 882763744 /nfs/dbraw/zinc/76/37/44/882763744.db2.gz HBKJVHJAHGVVFC-HSZRJFAPSA-N 1 3 376.544 3.672 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000541547846 873846841 /nfs/dbraw/zinc/84/68/41/873846841.db2.gz XSMAPJPKFUYITD-YKSBVNFPSA-N 1 3 379.548 3.666 20 0 GHADHO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000528003801 873872399 /nfs/dbraw/zinc/87/23/99/873872399.db2.gz MOBZBLMTQMIJLY-GJPOJAMWSA-N 1 3 375.516 3.599 20 0 GHADHO C[C@H](NC[C@@H](O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603563 873967266 /nfs/dbraw/zinc/96/72/66/873967266.db2.gz QRMLODSBBYHHEQ-CNNODRBYSA-N 1 3 388.596 3.966 20 0 GHADHO C[C@H](NC[C@@H](O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603563 873967274 /nfs/dbraw/zinc/96/72/74/873967274.db2.gz QRMLODSBBYHHEQ-CNNODRBYSA-N 1 3 388.596 3.966 20 0 GHADHO CC(C)[C@H](CC1CCCC1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000460486454 882792740 /nfs/dbraw/zinc/79/27/40/882792740.db2.gz CVAYMOMZIAGIKC-NRFANRHFSA-N 1 3 377.617 3.905 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(CCc3ccccc3)s2)C[C@H](C)O1 ZINC000449103607 874477460 /nfs/dbraw/zinc/47/74/60/874477460.db2.gz RATXEBAUOUKAJW-OALUTQOASA-N 1 3 387.593 3.907 20 0 GHADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508879663 874665216 /nfs/dbraw/zinc/66/52/16/874665216.db2.gz JWVSMSKYDOMNJB-AJSBUHFISA-N 1 3 394.563 3.594 20 0 GHADHO CCC(CC)[C@@H](CNCC12CC(C1)CN2C(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC001199143515 874820401 /nfs/dbraw/zinc/82/04/01/874820401.db2.gz HQWXQOBJNBBSON-IMYXXEESSA-N 1 3 379.589 3.876 20 0 GHADHO CCCOc1c(OC)cc(CC[NH2+]C2CCN(C(C)(C)C)CC2)cc1OC ZINC000449485473 874935865 /nfs/dbraw/zinc/93/58/65/874935865.db2.gz NBAGPJKUBIYTFG-UHFFFAOYSA-N 1 3 378.557 3.888 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@@H](C)O1 ZINC000237503776 882881177 /nfs/dbraw/zinc/88/11/77/882881177.db2.gz OCZOQGJFXPBLRC-ZIAGYGMSSA-N 1 3 376.875 3.920 20 0 GHADHO C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000460488567 882891195 /nfs/dbraw/zinc/89/11/95/882891195.db2.gz MVCIPHKHWDNCRU-KRWDZBQOSA-N 1 3 377.960 3.510 20 0 GHADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475737201 882937648 /nfs/dbraw/zinc/93/76/48/882937648.db2.gz CWZPTUGOGYVLQH-HOTGVXAUSA-N 1 3 377.960 3.507 20 0 GHADHO c1ccc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C[C@H]2CC=CCC2)C3)nc1 ZINC001201409487 875688541 /nfs/dbraw/zinc/68/85/41/875688541.db2.gz VFTPTCHEHXPODT-RSEQLOHWSA-N 1 3 395.591 3.988 20 0 GHADHO c1ccc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C[C@H]2CC=CCC2)C3)nc1 ZINC001201409487 875688548 /nfs/dbraw/zinc/68/85/48/875688548.db2.gz VFTPTCHEHXPODT-RSEQLOHWSA-N 1 3 395.591 3.988 20 0 GHADHO C[C@@H](c1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1)C(F)(F)F ZINC000450644683 876703583 /nfs/dbraw/zinc/70/35/83/876703583.db2.gz BVEZCSHILAQIOQ-IRXDYDNUSA-N 1 3 383.502 3.953 20 0 GHADHO CC(C)CN1CCC([NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850423086 876906026 /nfs/dbraw/zinc/90/60/26/876906026.db2.gz NCJLWSRVUWZZKM-LJQANCHMSA-N 1 3 397.485 3.732 20 0 GHADHO C[NH+]1CCC(CN[C@H](c2ccccc2)c2ccccn2)(N2CCCCC2)CC1 ZINC000180647034 883089883 /nfs/dbraw/zinc/08/98/83/883089883.db2.gz DCZXTJOOJKBGNT-HSZRJFAPSA-N 1 3 378.564 3.711 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175500544 877738731 /nfs/dbraw/zinc/73/87/31/877738731.db2.gz VZJNWLWKXUQCAT-QFIPXVFZSA-N 1 3 384.568 3.530 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000788246868 877949415 /nfs/dbraw/zinc/94/94/15/877949415.db2.gz GJIOIBVPPDWLBH-UMGGQSCQSA-N 1 3 375.557 3.583 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000788246868 877949417 /nfs/dbraw/zinc/94/94/17/877949417.db2.gz GJIOIBVPPDWLBH-UMGGQSCQSA-N 1 3 375.557 3.583 20 0 GHADHO COc1cc(NCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(OC)c1 ZINC000245670617 878334452 /nfs/dbraw/zinc/33/44/52/878334452.db2.gz HIDPNEOKRNFIFG-QQFNCUIESA-N 1 3 395.547 3.901 20 0 GHADHO COc1cc(NCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(OC)c1 ZINC000245670617 878334467 /nfs/dbraw/zinc/33/44/67/878334467.db2.gz HIDPNEOKRNFIFG-QQFNCUIESA-N 1 3 395.547 3.901 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)N(C)C)cc1 ZINC000530730793 878363183 /nfs/dbraw/zinc/36/31/83/878363183.db2.gz SXHZITAKSOHGBE-HSZRJFAPSA-N 1 3 394.563 3.588 20 0 GHADHO CC1CCC(N(C)C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000537843766 878375988 /nfs/dbraw/zinc/37/59/88/878375988.db2.gz VXVCPVLLIXRPAD-UHFFFAOYSA-N 1 3 386.584 3.657 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000530727906 878401651 /nfs/dbraw/zinc/40/16/51/878401651.db2.gz PLORRFZBKAEPQI-SIKLNZKXSA-N 1 3 392.547 3.558 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000667041657 878546905 /nfs/dbraw/zinc/54/69/05/878546905.db2.gz APRLJJFIMXSAFO-DKZVUGQWSA-N 1 3 376.541 3.591 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000537969774 878641004 /nfs/dbraw/zinc/64/10/04/878641004.db2.gz QIKQVCRWRHLXDK-BZSNNMDCSA-N 1 3 395.975 3.845 20 0 GHADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000537969722 878641048 /nfs/dbraw/zinc/64/10/48/878641048.db2.gz NMMNGRVKAQYMRT-IBGZPJMESA-N 1 3 397.538 3.762 20 0 GHADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853241081 878924212 /nfs/dbraw/zinc/92/42/12/878924212.db2.gz UHMKZMZXXMZORA-QUCCMNQESA-N 1 3 397.563 3.553 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183058511 880054280 /nfs/dbraw/zinc/05/42/80/880054280.db2.gz OCXURLLXGOUMDL-HXUWFJFHSA-N 1 3 381.564 3.725 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000531677080 880307413 /nfs/dbraw/zinc/30/74/13/880307413.db2.gz DCONADCYVJCJPM-QZTJIDSGSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[N@H+]1CCCC[C@H]1C ZINC000531677080 880307426 /nfs/dbraw/zinc/30/74/26/880307426.db2.gz DCONADCYVJCJPM-QZTJIDSGSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC[C@H]1C ZINC000531677080 880307438 /nfs/dbraw/zinc/30/74/38/880307438.db2.gz DCONADCYVJCJPM-QZTJIDSGSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000184742751 880371660 /nfs/dbraw/zinc/37/16/60/880371660.db2.gz FGDQRWGIFNNXMK-RTBURBONSA-N 1 3 397.538 3.530 20 0 GHADHO COC1([C@@H](C)[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCOCC1 ZINC000453114729 880487864 /nfs/dbraw/zinc/48/78/64/880487864.db2.gz RWIZITRMLPWRBP-QGZVFWFLSA-N 1 3 380.960 3.726 20 0 GHADHO COc1ccc([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(C)c1OC ZINC000286136280 912586634 /nfs/dbraw/zinc/58/66/34/912586634.db2.gz ORVONEJHYZHKOY-SFHVURJKSA-N 1 3 398.547 3.820 20 0 GHADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453333459 880800468 /nfs/dbraw/zinc/80/04/68/880800468.db2.gz GWKZCZICURBRFY-ZNEWLNCYSA-N 1 3 391.559 3.519 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429529836 880968670 /nfs/dbraw/zinc/96/86/70/880968670.db2.gz SOQUTQHWDRWDLG-HSZRJFAPSA-N 1 3 397.538 3.642 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CCSCC1 ZINC000187025442 881053158 /nfs/dbraw/zinc/05/31/58/881053158.db2.gz RRJOIUWNWAWVQZ-HXUWFJFHSA-N 1 3 375.626 3.706 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000195383400 883312216 /nfs/dbraw/zinc/31/22/16/883312216.db2.gz CUYFMTSZECOWBO-UHFFFAOYSA-N 1 3 394.991 3.676 20 0 GHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000194062498 883655256 /nfs/dbraw/zinc/65/52/56/883655256.db2.gz BOLYCXXFRBWQAI-CQSZACIVSA-N 1 3 383.458 3.887 20 0 GHADHO Cc1cc(C)cc(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000130092120 884163540 /nfs/dbraw/zinc/16/35/40/884163540.db2.gz OGUWVSDLZQCOPS-LJQANCHMSA-N 1 3 380.536 3.874 20 0 GHADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233119 884178219 /nfs/dbraw/zinc/17/82/19/884178219.db2.gz MRZUESYAXJMUGK-FVTFTPSCSA-N 1 3 386.580 3.564 20 0 GHADHO O=C(OCC1CCN(Cc2ccco2)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000805901444 884187022 /nfs/dbraw/zinc/18/70/22/884187022.db2.gz LEJWRCNWHKAOLU-UHFFFAOYSA-N 1 3 382.504 3.944 20 0 GHADHO C(=C/C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)\CN1CC[C@H](Nc2ccccc2)C1 ZINC000102845834 884498584 /nfs/dbraw/zinc/49/85/84/884498584.db2.gz MAXZKEJYTPMFJS-QQDBUXDWSA-N 1 3 376.548 3.915 20 0 GHADHO C(=C/C[N@H+]1CC[C@@H](Nc2ccccc2)C1)\CN1CC[C@H](Nc2ccccc2)C1 ZINC000102845834 884498593 /nfs/dbraw/zinc/49/85/93/884498593.db2.gz MAXZKEJYTPMFJS-QQDBUXDWSA-N 1 3 376.548 3.915 20 0 GHADHO C(=C/C[N@@H+]1CC[C@H](Nc2ccccc2)C1)\CN1CC[C@@H](Nc2ccccc2)C1 ZINC000102845834 884498602 /nfs/dbraw/zinc/49/86/02/884498602.db2.gz MAXZKEJYTPMFJS-QQDBUXDWSA-N 1 3 376.548 3.915 20 0 GHADHO C(=C/C[N@H+]1CC[C@H](Nc2ccccc2)C1)\CN1CC[C@@H](Nc2ccccc2)C1 ZINC000102845834 884498607 /nfs/dbraw/zinc/49/86/07/884498607.db2.gz MAXZKEJYTPMFJS-QQDBUXDWSA-N 1 3 376.548 3.915 20 0 GHADHO CC(C)(C)OC(=O)NCC1(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001183887281 912874206 /nfs/dbraw/zinc/87/42/06/912874206.db2.gz YITXJRZIEWGBJF-RTWAWAEBSA-N 1 3 399.579 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCC1(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001183887281 912874224 /nfs/dbraw/zinc/87/42/24/912874224.db2.gz YITXJRZIEWGBJF-RTWAWAEBSA-N 1 3 399.579 3.745 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)N(C)C)cc1 ZINC000072044306 885459003 /nfs/dbraw/zinc/45/90/03/885459003.db2.gz CNILQRPLRGDASO-DHIUTWEWSA-N 1 3 394.563 3.734 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nnc(Cl)c4c3CCC4)c3ccccc23)CC1 ZINC001170525202 885461892 /nfs/dbraw/zinc/46/18/92/885461892.db2.gz KBLLWOHWUJYIND-UHFFFAOYSA-N 1 3 395.938 3.528 20 0 GHADHO Cc1ccc(N(C)C)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528289 885549137 /nfs/dbraw/zinc/54/91/37/885549137.db2.gz KGQPVXJGHOSGNR-UHFFFAOYSA-N 1 3 376.548 3.971 20 0 GHADHO CCOc1cc(C)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cn1 ZINC001170527766 885563993 /nfs/dbraw/zinc/56/39/93/885563993.db2.gz BATDJTFRGRRADQ-UHFFFAOYSA-N 1 3 378.520 3.698 20 0 GHADHO C[NH+](C)C1CCC(N2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)CC1 ZINC001168323742 886543028 /nfs/dbraw/zinc/54/30/28/886543028.db2.gz BRKUWOUQROXRGT-UHFFFAOYSA-N 1 3 390.881 3.749 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000537620001 886761459 /nfs/dbraw/zinc/76/14/59/886761459.db2.gz MNLORJSLISESIH-UHFFFAOYSA-N 1 3 383.502 3.732 20 0 GHADHO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758816 887780892 /nfs/dbraw/zinc/78/08/92/887780892.db2.gz AIZJWBHEBXDGBF-KRWDZBQOSA-N 1 3 398.551 3.694 20 0 GHADHO COCOc1ccc(OC)cc1C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000120579232 888376460 /nfs/dbraw/zinc/37/64/60/888376460.db2.gz LJIHVPZREGRDIN-OALUTQOASA-N 1 3 398.547 3.924 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866306729 888822951 /nfs/dbraw/zinc/82/29/51/888822951.db2.gz LYEPJYADHYCTFW-JQFCIGGWSA-N 1 3 377.916 3.900 20 0 GHADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000287385509 913304595 /nfs/dbraw/zinc/30/45/95/913304595.db2.gz ILUUMLWLJOSICI-NAVOZUGXSA-N 1 3 383.580 3.525 20 0 GHADHO O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000644554421 913361653 /nfs/dbraw/zinc/36/16/53/913361653.db2.gz PMOVOQDREBYVEO-CENDIDJXSA-N 1 3 382.470 3.723 20 0 GHADHO CN(CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000533431957 890550740 /nfs/dbraw/zinc/55/07/40/890550740.db2.gz RYBJFUXCLPWIJG-HXUWFJFHSA-N 1 3 379.548 3.556 20 0 GHADHO CN(CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533431957 890550760 /nfs/dbraw/zinc/55/07/60/890550760.db2.gz RYBJFUXCLPWIJG-HXUWFJFHSA-N 1 3 379.548 3.556 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2ccccc2)CC1 ZINC000497370356 891294654 /nfs/dbraw/zinc/29/46/54/891294654.db2.gz NTYICSXKLZJSLA-RJGXRXQPSA-N 1 3 398.595 3.585 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2ccccc2)CC1 ZINC000497370356 891294677 /nfs/dbraw/zinc/29/46/77/891294677.db2.gz NTYICSXKLZJSLA-RJGXRXQPSA-N 1 3 398.595 3.585 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2ccccc2)CC1 ZINC000497370357 891295481 /nfs/dbraw/zinc/29/54/81/891295481.db2.gz NTYICSXKLZJSLA-XPWALMASSA-N 1 3 398.595 3.585 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2ccccc2)CC1 ZINC000497370357 891295497 /nfs/dbraw/zinc/29/54/97/891295497.db2.gz NTYICSXKLZJSLA-XPWALMASSA-N 1 3 398.595 3.585 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CN1Cc1ccccc1 ZINC000497557691 891859226 /nfs/dbraw/zinc/85/92/26/891859226.db2.gz DJIIKLGMOMEALN-XXBNENTESA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287972132 913608755 /nfs/dbraw/zinc/60/87/55/913608755.db2.gz JODYWKNHSOUQOP-AVRDEDQJSA-N 1 3 398.551 3.577 20 0 GHADHO CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000170702360 893394278 /nfs/dbraw/zinc/39/42/78/893394278.db2.gz OFDSMHBCNDKYSP-OAQYLSRUSA-N 1 3 395.547 3.615 20 0 GHADHO CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000170702360 893394297 /nfs/dbraw/zinc/39/42/97/893394297.db2.gz OFDSMHBCNDKYSP-OAQYLSRUSA-N 1 3 395.547 3.615 20 0 GHADHO c1c(CNCCCC[NH+]2CCC(Cc3ccccc3)CC2)nc2ncccn12 ZINC000459394925 893453162 /nfs/dbraw/zinc/45/31/62/893453162.db2.gz ACKOSNKILFOLAZ-UHFFFAOYSA-N 1 3 377.536 3.554 20 0 GHADHO C[C@@H]1C[NH+](CCC2CCN(Cc3cccc4c3OCCCO4)CC2)C[C@@H](C)O1 ZINC000536663786 893478013 /nfs/dbraw/zinc/47/80/13/893478013.db2.gz VPQDEUDMVJNQKD-RTBURBONSA-N 1 3 388.552 3.559 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](Cc3cc4nc(Cl)ccc4s3)CC2)CC1 ZINC000877334332 893569167 /nfs/dbraw/zinc/56/91/67/893569167.db2.gz OMXJSTMDOUVTCK-UHFFFAOYSA-N 1 3 393.000 3.799 20 0 GHADHO c1cc(CN2CCOCC2)cc(C[N@@H+](CCN2CCCCCC2)C2CCC2)c1 ZINC001170782071 893671952 /nfs/dbraw/zinc/67/19/52/893671952.db2.gz DBZOHKZLLDHAQW-UHFFFAOYSA-N 1 3 385.596 3.749 20 0 GHADHO c1cc(CN2CCOCC2)cc(C[N@H+](CCN2CCCCCC2)C2CCC2)c1 ZINC001170782071 893671960 /nfs/dbraw/zinc/67/19/60/893671960.db2.gz DBZOHKZLLDHAQW-UHFFFAOYSA-N 1 3 385.596 3.749 20 0 GHADHO COc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cc(OC)c1OCC(F)F ZINC000877683891 893760206 /nfs/dbraw/zinc/76/02/06/893760206.db2.gz AEYLDDHMOPQMTI-UHFFFAOYSA-N 1 3 398.494 3.656 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000459617061 893906117 /nfs/dbraw/zinc/90/61/17/893906117.db2.gz ITNOXWNBBCXBKF-FQEVSTJZSA-N 1 3 386.565 3.893 20 0 GHADHO CC1CCN([C@H](CNC(=O)C2C[NH+](C3CCCCC3)C2)c2cccs2)CC1 ZINC001135296236 894333422 /nfs/dbraw/zinc/33/34/22/894333422.db2.gz OPLICKNEHMDLPA-HXUWFJFHSA-N 1 3 389.609 3.902 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3ccccc3=O)cc2)C[C@@H]1c1ccccc1 ZINC000645395105 913872891 /nfs/dbraw/zinc/87/28/91/913872891.db2.gz CRHCMKRJEIMBBO-BJKOFHAPSA-N 1 3 387.527 3.822 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3ccccc3=O)cc2)C[C@@H]1c1ccccc1 ZINC000645395105 913872918 /nfs/dbraw/zinc/87/29/18/913872918.db2.gz CRHCMKRJEIMBBO-BJKOFHAPSA-N 1 3 387.527 3.822 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4c(OC)cccc43)cc2)CC1 ZINC000564036311 894501835 /nfs/dbraw/zinc/50/18/35/894501835.db2.gz ANUYSTAKVVVTDO-DEOSSOPVSA-N 1 3 393.575 4.000 20 0 GHADHO COc1ccc(OC)c(CC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000537190617 894512585 /nfs/dbraw/zinc/51/25/85/894512585.db2.gz QEDSKNAEDQMRSL-NRFANRHFSA-N 1 3 396.531 3.824 20 0 GHADHO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000564150741 894651111 /nfs/dbraw/zinc/65/11/11/894651111.db2.gz RJRZYPSJVAQYJI-DYXWJJEUSA-N 1 3 399.579 3.648 20 0 GHADHO C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC001135563924 894800117 /nfs/dbraw/zinc/80/01/17/894800117.db2.gz OLMNPEINWUVRIC-GBXCKJPGSA-N 1 3 393.575 3.749 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccccc3C)C3CC3)CC2)CC1 ZINC000565665477 895796495 /nfs/dbraw/zinc/79/64/95/895796495.db2.gz GFXQEELXBWQHJE-QHCPKHFHSA-N 1 3 383.580 3.759 20 0 GHADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Br)c1 ZINC000818953160 896292595 /nfs/dbraw/zinc/29/25/95/896292595.db2.gz HIVPPMIVTKPTHK-HXUWFJFHSA-N 1 3 389.337 3.868 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274873 896561254 /nfs/dbraw/zinc/56/12/54/896561254.db2.gz NHKVMTRYLVEHQT-PXNSSMCTSA-N 1 3 389.337 3.594 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274873 896561263 /nfs/dbraw/zinc/56/12/63/896561263.db2.gz NHKVMTRYLVEHQT-PXNSSMCTSA-N 1 3 389.337 3.594 20 0 GHADHO O=C1NCCN1c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000883286286 897445326 /nfs/dbraw/zinc/44/53/26/897445326.db2.gz OEHQMSQGJSADIZ-UADZTWIMSA-N 1 3 390.531 3.501 20 0 GHADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000567895291 897476077 /nfs/dbraw/zinc/47/60/77/897476077.db2.gz CAUVOGYDICCZHE-FGZHOGPDSA-N 1 3 377.532 3.541 20 0 GHADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc2ccccc2c1 ZINC000568032819 897546368 /nfs/dbraw/zinc/54/63/68/897546368.db2.gz SJXJWAHDCOEDND-CYFREDJKSA-N 1 3 389.543 3.780 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000569039137 898291994 /nfs/dbraw/zinc/29/19/94/898291994.db2.gz PDPBFKYWKIFRFH-LJFZDNNRSA-N 1 3 398.522 3.757 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000289586164 914251363 /nfs/dbraw/zinc/25/13/63/914251363.db2.gz ZJBPWKZZVNJHDC-HXUWFJFHSA-N 1 3 382.552 3.941 20 0 GHADHO Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569482028 898700609 /nfs/dbraw/zinc/70/06/09/898700609.db2.gz XFINJIUARLIOCG-RYGJVYDSSA-N 1 3 389.902 3.597 20 0 GHADHO Cc1ccccc1[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000112205535 898857282 /nfs/dbraw/zinc/85/72/82/898857282.db2.gz ZUUGZEAVPQFGRE-JOCHJYFZSA-N 1 3 386.584 3.550 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000570036850 899084598 /nfs/dbraw/zinc/08/45/98/899084598.db2.gz VSGUVBOIKLLVLN-LQBOVUBWSA-N 1 3 383.511 3.834 20 0 GHADHO O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000289725196 914314952 /nfs/dbraw/zinc/31/49/52/914314952.db2.gz GJBNPJBCZZDYHQ-OAQYLSRUSA-N 1 3 395.547 3.776 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000570153620 899161901 /nfs/dbraw/zinc/16/19/01/899161901.db2.gz NGFFWGOFNNCQND-KZULUSFZSA-N 1 3 375.314 3.808 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cn1 ZINC000570303614 899250664 /nfs/dbraw/zinc/25/06/64/899250664.db2.gz KEFWYJIHTLHYEU-FYYLOGMGSA-N 1 3 380.536 3.568 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cn1 ZINC000570303615 899251205 /nfs/dbraw/zinc/25/12/05/899251205.db2.gz KEFWYJIHTLHYEU-GGAORHGYSA-N 1 3 380.536 3.568 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000823966406 899317765 /nfs/dbraw/zinc/31/77/65/899317765.db2.gz NHFOZMOBHBRMAR-VGOFRKELSA-N 1 3 377.573 3.630 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC1 ZINC000824142136 899408193 /nfs/dbraw/zinc/40/81/93/899408193.db2.gz KEPOORIKEWSCKU-IBGZPJMESA-N 1 3 393.531 3.828 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136936729 899811668 /nfs/dbraw/zinc/81/16/68/899811668.db2.gz ITXUGVYRXHSTSI-DENIHFKCSA-N 1 3 394.506 3.511 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136936729 899811678 /nfs/dbraw/zinc/81/16/78/899811678.db2.gz ITXUGVYRXHSTSI-DENIHFKCSA-N 1 3 394.506 3.511 20 0 GHADHO Cc1ccc2nc(CNCCCOC3CC[NH+](Cc4ccccc4)CC3)cn2c1 ZINC000573550048 900553664 /nfs/dbraw/zinc/55/36/64/900553664.db2.gz GLYUWGQVAIJKJY-UHFFFAOYSA-N 1 3 392.547 3.804 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171120163 900751265 /nfs/dbraw/zinc/75/12/65/900751265.db2.gz DJOSEAUSQNOTSH-YMPZKCBVSA-N 1 3 388.983 3.878 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171120163 900751268 /nfs/dbraw/zinc/75/12/68/900751268.db2.gz DJOSEAUSQNOTSH-YMPZKCBVSA-N 1 3 388.983 3.878 20 0 GHADHO CSCC[C@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1nnc2ccccn21 ZINC000886495251 901075294 /nfs/dbraw/zinc/07/52/94/901075294.db2.gz OWYZJEAEHGHLHL-WBTXTPOCSA-N 1 3 387.597 3.910 20 0 GHADHO O=C(c1ccoc1)N1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886500373 901084525 /nfs/dbraw/zinc/08/45/25/901084525.db2.gz SGUABAMDRCIGGE-VJBMBRPKSA-N 1 3 393.531 3.527 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000575248964 901181552 /nfs/dbraw/zinc/18/15/52/901181552.db2.gz ZDAMOQNZZLZYNK-UWJYYQICSA-N 1 3 388.939 3.895 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CCN1Cc1ccccc1 ZINC000576667042 902172585 /nfs/dbraw/zinc/17/25/85/902172585.db2.gz ARKXCSADPAKYHB-NQIIRXRSSA-N 1 3 380.536 3.575 20 0 GHADHO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CCCN(C)CC[NH+](C)C ZINC000577655725 903009400 /nfs/dbraw/zinc/00/94/00/903009400.db2.gz WITAYYZWPMPAPI-INIZCTEOSA-N 1 3 378.948 3.871 20 0 GHADHO C[C@H](NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ncc[nH]1 ZINC000577834752 903252894 /nfs/dbraw/zinc/25/28/94/903252894.db2.gz ROIZFJYEVSPACW-INIZCTEOSA-N 1 3 395.473 3.682 20 0 GHADHO N=C(N)Nc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)cc1 ZINC001148649960 904136375 /nfs/dbraw/zinc/13/63/75/904136375.db2.gz BKOZBYWCZQFOEI-NRFANRHFSA-N 1 3 391.519 3.587 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564613 904829746 /nfs/dbraw/zinc/82/97/46/904829746.db2.gz CTQGQVGRCXZMMC-IFMALSPDSA-N 1 3 384.564 3.592 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564613 904829763 /nfs/dbraw/zinc/82/97/63/904829763.db2.gz CTQGQVGRCXZMMC-IFMALSPDSA-N 1 3 384.564 3.592 20 0 GHADHO CN(C)Cc1nc(CSCCNC2CC(C)(C)[NH+](C)C(C)(C)C2)cs1 ZINC001171620712 904886244 /nfs/dbraw/zinc/88/62/44/904886244.db2.gz DVPAWGMUOYUXCE-UHFFFAOYSA-N 1 3 384.659 3.679 20 0 GHADHO CN(C)Cc1nc(CSCC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cs1 ZINC001171620712 904886259 /nfs/dbraw/zinc/88/62/59/904886259.db2.gz DVPAWGMUOYUXCE-UHFFFAOYSA-N 1 3 384.659 3.679 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)CC1(C)C ZINC001171634448 904922087 /nfs/dbraw/zinc/92/20/87/904922087.db2.gz AKYSRUVWLRBLMJ-UHFFFAOYSA-N 1 3 399.579 3.536 20 0 GHADHO COc1ccc(N2C[C@@]3(CC[N@@H+](C4CC(C)(C)N(C)C(C)(C)C4)C3)CC2=O)cc1 ZINC001171635425 904924242 /nfs/dbraw/zinc/92/42/42/904924242.db2.gz ZLECJISZJVEFNJ-DEOSSOPVSA-N 1 3 399.579 3.775 20 0 GHADHO COc1ccc(N2C[C@@]3(CC[N@H+](C4CC(C)(C)N(C)C(C)(C)C4)C3)CC2=O)cc1 ZINC001171635425 904924249 /nfs/dbraw/zinc/92/42/49/904924249.db2.gz ZLECJISZJVEFNJ-DEOSSOPVSA-N 1 3 399.579 3.775 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC3(CC2)Cc2ccccc2CN(C)C3=O)CC1(C)C ZINC001171638105 904926558 /nfs/dbraw/zinc/92/65/58/904926558.db2.gz RMAIVSHPQAEPFS-UHFFFAOYSA-N 1 3 397.607 3.935 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CN1Cc1ccccc1 ZINC001171737547 905020806 /nfs/dbraw/zinc/02/08/06/905020806.db2.gz BUMSXTCWYHMQIP-YKSBVNFPSA-N 1 3 378.564 3.546 20 0 GHADHO CN(CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001171964552 905172978 /nfs/dbraw/zinc/17/29/78/905172978.db2.gz LUCVVSUOMRQKJS-IBGZPJMESA-N 1 3 375.557 3.886 20 0 GHADHO CN(CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001171964552 905172987 /nfs/dbraw/zinc/17/29/87/905172987.db2.gz LUCVVSUOMRQKJS-IBGZPJMESA-N 1 3 375.557 3.886 20 0 GHADHO CC1(C)C[C@@H](NCCC(=O)NCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171985022 905242338 /nfs/dbraw/zinc/24/23/38/905242338.db2.gz ZZPQSHYJCGZKKU-QFIPXVFZSA-N 1 3 379.548 3.726 20 0 GHADHO CC1(C)C[C@@H](NCCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171985022 905242350 /nfs/dbraw/zinc/24/23/50/905242350.db2.gz ZZPQSHYJCGZKKU-QFIPXVFZSA-N 1 3 379.548 3.726 20 0 GHADHO COCCCCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172090433 905307773 /nfs/dbraw/zinc/30/77/73/905307773.db2.gz VPOQKPRZCKJBNE-BKFWDETESA-N 1 3 385.596 3.616 20 0 GHADHO COCCCCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172090433 905307784 /nfs/dbraw/zinc/30/77/84/905307784.db2.gz VPOQKPRZCKJBNE-BKFWDETESA-N 1 3 385.596 3.616 20 0 GHADHO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001172062996 905325126 /nfs/dbraw/zinc/32/51/26/905325126.db2.gz VGDBEFLEWOILPP-DKUWSORSSA-N 1 3 398.572 3.765 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OCC3CCOCC3)c(F)c1)C2 ZINC001172112377 905359511 /nfs/dbraw/zinc/35/95/11/905359511.db2.gz VXXYZOQERYYXNR-ACDBMABISA-N 1 3 376.516 3.736 20 0 GHADHO COC(=O)c1cccc(C[NH2+]C2CCN([C@@H]3CCc4ccc(C)cc4C3)CC2)c1 ZINC001172838479 905889877 /nfs/dbraw/zinc/88/98/77/905889877.db2.gz LKLXXLYIXTZZGP-XMMPIXPASA-N 1 3 392.543 3.893 20 0 GHADHO C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001172850674 905904152 /nfs/dbraw/zinc/90/41/52/905904152.db2.gz LLGMDPYWIJPHNV-MRXNPFEDSA-N 1 3 390.934 3.761 20 0 GHADHO C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001172850674 905904162 /nfs/dbraw/zinc/90/41/62/905904162.db2.gz LLGMDPYWIJPHNV-MRXNPFEDSA-N 1 3 390.934 3.761 20 0 GHADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172864104 905917834 /nfs/dbraw/zinc/91/78/34/905917834.db2.gz UFDSOYYDCOLLHQ-KRWDZBQOSA-N 1 3 389.946 3.947 20 0 GHADHO CCCC[NH+](CCCC)CCCNC1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172886648 905974042 /nfs/dbraw/zinc/97/40/42/905974042.db2.gz NWKOLARYWHLVOL-UHFFFAOYSA-N 1 3 383.621 3.674 20 0 GHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000177978136 906257647 /nfs/dbraw/zinc/25/76/47/906257647.db2.gz PSICEJFDDVUNMN-QGZVFWFLSA-N 1 3 389.565 3.749 20 0 GHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000177978136 906257666 /nfs/dbraw/zinc/25/76/66/906257666.db2.gz PSICEJFDDVUNMN-QGZVFWFLSA-N 1 3 389.565 3.749 20 0 GHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)NCC2([NH3+])CCOCC2)nc1 ZINC000629519990 906852529 /nfs/dbraw/zinc/85/25/29/906852529.db2.gz JSTQWLVKYDFDTA-NRFANRHFSA-N 1 3 387.955 3.549 20 0 GHADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000182236167 907165978 /nfs/dbraw/zinc/16/59/78/907165978.db2.gz XVZRHXXRCYOVFR-LAUBAEHRSA-N 1 3 384.520 3.511 20 0 GHADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000182236167 907165991 /nfs/dbraw/zinc/16/59/91/907165991.db2.gz XVZRHXXRCYOVFR-LAUBAEHRSA-N 1 3 384.520 3.511 20 0 GHADHO COC1(c2nccn2C)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001175860998 907801340 /nfs/dbraw/zinc/80/13/40/907801340.db2.gz FYYLFIQFWACGCD-UHFFFAOYSA-N 1 3 382.552 3.544 20 0 GHADHO CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000186556581 907941965 /nfs/dbraw/zinc/94/19/65/907941965.db2.gz WZOLMXAUINJUQV-QHCPKHFHSA-N 1 3 398.595 3.655 20 0 GHADHO COc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC(=O)C1CC1 ZINC000192922849 908016599 /nfs/dbraw/zinc/01/65/99/908016599.db2.gz PIXINGPNYFTLJA-FQEVSTJZSA-N 1 3 394.515 3.622 20 0 GHADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc2c(C)nn(C(C)(C)C)c2nc1Cl ZINC001178157101 908914467 /nfs/dbraw/zinc/91/44/67/908914467.db2.gz PDPBTGYPDCVDPT-INIZCTEOSA-N 1 3 395.979 3.595 20 0 GHADHO COc1cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc(OC)c1OC ZINC000268759223 910002449 /nfs/dbraw/zinc/00/24/49/910002449.db2.gz ZFNZCMGTVQJZOL-INIZCTEOSA-N 1 3 388.508 3.504 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC001180332546 910103464 /nfs/dbraw/zinc/10/34/64/910103464.db2.gz QZJNJADPNJNSNP-BATSVXPKSA-N 1 3 395.950 3.681 20 0 GHADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000269074027 910127572 /nfs/dbraw/zinc/12/75/72/910127572.db2.gz XSNNWZZSNOEURP-ZDUSSCGKSA-N 1 3 379.957 3.879 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001181471389 910782952 /nfs/dbraw/zinc/78/29/52/910782952.db2.gz FJPGHPMUGDRXBK-LSTHTHJFSA-N 1 3 394.401 3.904 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001181471604 910783853 /nfs/dbraw/zinc/78/38/53/910783853.db2.gz ISBOOPAPIKTDFS-WCIQWLHISA-N 1 3 379.589 3.875 20 0 GHADHO CCOc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC ZINC000283804461 911652590 /nfs/dbraw/zinc/65/25/90/911652590.db2.gz AVBDVTSOIBCDGZ-UHFFFAOYSA-N 1 3 384.520 3.857 20 0 GHADHO COCCCOc1cccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000284152416 911771307 /nfs/dbraw/zinc/77/13/07/911771307.db2.gz VTTITNJDNDBFAK-UHFFFAOYSA-N 1 3 398.547 3.865 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248398405 912055183 /nfs/dbraw/zinc/05/51/83/912055183.db2.gz IWOQUABQHVTPOL-IPMKNSEASA-N 1 3 379.589 3.876 20 0 GHADHO Cc1ccc(-n2cc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)c(C(C)(C)C)n2)cc1 ZINC000647544942 915319644 /nfs/dbraw/zinc/31/96/44/915319644.db2.gz AYSXPUZQUGAHFR-YADHBBJMSA-N 1 3 396.579 3.806 20 0 GHADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977809 915460483 /nfs/dbraw/zinc/46/04/83/915460483.db2.gz HWJOXEKZFQDJKL-YZGWKJHDSA-N 1 3 383.536 3.664 20 0 GHADHO Fc1ccc([C@H](C[C@H]2CCOC2)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000292362924 915636266 /nfs/dbraw/zinc/63/62/66/915636266.db2.gz YVNABOYLJWHDPE-NQIIRXRSSA-N 1 3 376.516 3.528 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1CN1CCCCC1 ZINC000775379412 917308406 /nfs/dbraw/zinc/30/84/06/917308406.db2.gz CXMBVZFBJIWGSD-APWZRJJASA-N 1 3 399.501 3.968 20 0 GHADHO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)C1 ZINC000775379787 917309183 /nfs/dbraw/zinc/30/91/83/917309183.db2.gz BNLCRRGDKFAZRZ-YLJYHZDGSA-N 1 3 389.540 3.563 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2=O)cc1CN1CCCCC1 ZINC000775385386 917325248 /nfs/dbraw/zinc/32/52/48/917325248.db2.gz KKACPXGBRKXMKJ-LJQANCHMSA-N 1 3 387.568 3.734 20 0 GHADHO COC(=O)Nc1cccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000796488163 917724676 /nfs/dbraw/zinc/72/46/76/917724676.db2.gz DVAAVSRODBUXOW-UHFFFAOYSA-N 1 3 383.492 3.629 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cccc(NC(=O)OC)c2)CC1 ZINC000796492192 917781806 /nfs/dbraw/zinc/78/18/06/917781806.db2.gz XZHPTOYRZYJPEU-UHFFFAOYSA-N 1 3 396.535 3.687 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCCc2nc(Cl)ccc21 ZINC000296346929 918164400 /nfs/dbraw/zinc/16/44/00/918164400.db2.gz HGAFQYCKNJPRRR-AZUAARDMSA-N 1 3 385.939 3.859 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCCc2nc(Cl)ccc21 ZINC000296346929 918164407 /nfs/dbraw/zinc/16/44/07/918164407.db2.gz HGAFQYCKNJPRRR-AZUAARDMSA-N 1 3 385.939 3.859 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902394149 922157152 /nfs/dbraw/zinc/15/71/52/922157152.db2.gz WYXSYLSHGQINQM-RTBURBONSA-N 1 3 375.463 3.501 20 0 GHADHO [NH3+]CCCC[C@H](NC[C@@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1F ZINC000902403927 922165324 /nfs/dbraw/zinc/16/53/24/922165324.db2.gz VMHZNWGITXIRNN-PXNSSMCTSA-N 1 3 382.495 3.700 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592155 922218454 /nfs/dbraw/zinc/21/84/54/922218454.db2.gz BIBLXZJGZYMSGH-OHNRDTAOSA-N 1 3 394.441 3.935 20 0 GHADHO COCCOc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000902501870 922241274 /nfs/dbraw/zinc/24/12/74/922241274.db2.gz CRLPZMUWNUJGAY-JWNTYJGQSA-N 1 3 382.504 3.618 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903175107 922833050 /nfs/dbraw/zinc/83/30/50/922833050.db2.gz PTMFDBNSSMPRAN-ZCTYVAAUSA-N 1 3 375.557 3.523 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903175107 922833058 /nfs/dbraw/zinc/83/30/58/922833058.db2.gz PTMFDBNSSMPRAN-ZCTYVAAUSA-N 1 3 375.557 3.523 20 0 GHADHO CCC1(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000677229745 924291984 /nfs/dbraw/zinc/29/19/84/924291984.db2.gz FSEMGIADHGZRRR-JOCHJYFZSA-N 1 3 398.595 3.557 20 0 GHADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccc2c(c1)OCCO2 ZINC000678124101 924619232 /nfs/dbraw/zinc/61/92/32/924619232.db2.gz SDDAMZGHKIDOMH-UHFFFAOYSA-N 1 3 382.504 3.564 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1[nH]c(C)cc1C)CC2 ZINC001137324419 924678150 /nfs/dbraw/zinc/67/81/50/924678150.db2.gz RRVAKXPHJJORSG-OAQYLSRUSA-N 1 3 382.552 3.530 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1[nH]c(C)cc1C)CC2 ZINC001137324419 924678154 /nfs/dbraw/zinc/67/81/54/924678154.db2.gz RRVAKXPHJJORSG-OAQYLSRUSA-N 1 3 382.552 3.530 20 0 GHADHO O=C(CN[C@@H](c1ccc(Cl)cc1)C1CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000678768367 924915697 /nfs/dbraw/zinc/91/56/97/924915697.db2.gz XKBPONNDPKSXRO-OAQYLSRUSA-N 1 3 375.944 3.514 20 0 GHADHO C[NH+]1CCC(N2CC[C@@H](NC(c3ccc(F)cc3)c3ccc(F)cc3)C2)CC1 ZINC000679341579 925101033 /nfs/dbraw/zinc/10/10/33/925101033.db2.gz SQMBISWXMKKQEP-OAQYLSRUSA-N 1 3 385.502 3.812 20 0 GHADHO O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400095 925124544 /nfs/dbraw/zinc/12/45/44/925124544.db2.gz KWMKVYKADOJKKT-CWKRKGSWSA-N 1 3 381.564 3.705 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000410347664 925567524 /nfs/dbraw/zinc/56/75/24/925567524.db2.gz OXJPPSKGPJUYEU-HXUWFJFHSA-N 1 3 398.595 3.831 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000410347664 925567526 /nfs/dbraw/zinc/56/75/26/925567526.db2.gz OXJPPSKGPJUYEU-HXUWFJFHSA-N 1 3 398.595 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@@H]2[C@@H]1[C@@H]3NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000394670531 926420758 /nfs/dbraw/zinc/42/07/58/926420758.db2.gz SGIBLIAORHBXNA-GCDKYVQMSA-N 1 3 377.573 3.529 20 0 GHADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411580839 926537144 /nfs/dbraw/zinc/53/71/44/926537144.db2.gz XGVBNCNHPOGVQW-GMAHTHKFSA-N 1 3 382.552 3.643 20 0 GHADHO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c(F)c1 ZINC000412561451 927576757 /nfs/dbraw/zinc/57/67/57/927576757.db2.gz UFKUHODSXZSBHM-GOSISDBHSA-N 1 3 387.474 3.877 20 0 GHADHO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)CNC2 ZINC000470367354 930564613 /nfs/dbraw/zinc/56/46/13/930564613.db2.gz NWRWHHHNNSCAQY-UHFFFAOYSA-N 1 3 391.559 3.755 20 0 GHADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000781425420 930840892 /nfs/dbraw/zinc/84/08/92/930840892.db2.gz ILZZGIYBCLQGRH-JXKFMYIUSA-N 1 3 385.596 3.519 20 0 GHADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000781425420 930840901 /nfs/dbraw/zinc/84/09/01/930840901.db2.gz ILZZGIYBCLQGRH-JXKFMYIUSA-N 1 3 385.596 3.519 20 0 GHADHO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1OCCO ZINC000547505564 931079786 /nfs/dbraw/zinc/07/97/86/931079786.db2.gz ZLHTXPQRBZNKRT-CNNODRBYSA-N 1 3 398.547 3.628 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000187284669 931379864 /nfs/dbraw/zinc/37/98/64/931379864.db2.gz PFBZOHAJHNWQSW-XMSQKQJNSA-N 1 3 377.532 3.738 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000187284669 931379871 /nfs/dbraw/zinc/37/98/71/931379871.db2.gz PFBZOHAJHNWQSW-XMSQKQJNSA-N 1 3 377.532 3.738 20 0 GHADHO Cc1ccc(C)c([C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc2)c1 ZINC000925859175 931924754 /nfs/dbraw/zinc/92/47/54/931924754.db2.gz WCQJPOUDMBUGBT-RBBKRZOGSA-N 1 3 378.516 3.668 20 0 GHADHO CCCC[N@H+](C)CC1CCN([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048984 932395038 /nfs/dbraw/zinc/39/50/38/932395038.db2.gz AYJCALXZKRZYFS-AVRDEDQJSA-N 1 3 389.559 3.932 20 0 GHADHO CCCC[N@@H+](C)CC1CCN([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048984 932395042 /nfs/dbraw/zinc/39/50/42/932395042.db2.gz AYJCALXZKRZYFS-AVRDEDQJSA-N 1 3 389.559 3.932 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(-c4ocnc4C)cc3)CC2)CC1 ZINC000928818779 933120000 /nfs/dbraw/zinc/12/00/00/933120000.db2.gz HKICXJIIGPMYCS-UHFFFAOYSA-N 1 3 396.535 3.785 20 0 GHADHO Cc1ccncc1CCC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000560598182 933373448 /nfs/dbraw/zinc/37/34/48/933373448.db2.gz RYHKTNMSGAHGMQ-DEOSSOPVSA-N 1 3 393.575 3.841 20 0 GHADHO OC1(Cc2ccccn2)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000930988169 934327311 /nfs/dbraw/zinc/32/73/11/934327311.db2.gz WPKMJPVZOXMNBQ-UHFFFAOYSA-N 1 3 379.548 3.637 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC(CC[NH+](C)C)CC1 ZINC000562191152 934752474 /nfs/dbraw/zinc/75/24/74/934752474.db2.gz CKUQOGJAFWARKT-RBUKOAKNSA-N 1 3 385.596 3.795 20 0 GHADHO Cc1ccc2nc(Cl)c(CN3CCN(CC4CC[NH+](C)CC4)CC3)cc2c1 ZINC001137924205 935872797 /nfs/dbraw/zinc/87/27/97/935872797.db2.gz UNOFCFMKVVHOPK-UHFFFAOYSA-N 1 3 386.971 3.656 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001221064755 1032262633 /nfs/dbraw/zinc/26/26/33/1032262633.db2.gz QJCAWEWHVJMRFG-PMOQBDJRSA-N 1 3 394.563 3.642 20 0 GHADHO C[NH+](C)CC[C@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C(C)(C)C ZINC001227447688 1032424098 /nfs/dbraw/zinc/42/40/98/1032424098.db2.gz SMECFBKTABFRTF-SFTDATJTSA-N 1 3 388.600 3.879 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001204180980 1032632228 /nfs/dbraw/zinc/63/22/28/1032632228.db2.gz YHAYTXUXTFCVBQ-DEOSSOPVSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001204180980 1032632239 /nfs/dbraw/zinc/63/22/39/1032632239.db2.gz YHAYTXUXTFCVBQ-DEOSSOPVSA-N 1 3 399.579 3.841 20 0 GHADHO COc1cccc(OC)c1CN1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001204249535 1032690442 /nfs/dbraw/zinc/69/04/42/1032690442.db2.gz LXLBELZPRNETMS-UHFFFAOYSA-N 1 3 395.547 3.975 20 0 GHADHO COc1cccc(OC)c1CN1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001204249535 1032690449 /nfs/dbraw/zinc/69/04/49/1032690449.db2.gz LXLBELZPRNETMS-UHFFFAOYSA-N 1 3 395.547 3.975 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000562754168 1018604341 /nfs/dbraw/zinc/60/43/41/1018604341.db2.gz SIZRKAIEQUGAJC-GOSISDBHSA-N 1 3 380.964 3.505 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC[C@@H](O)COCc2cccs2)CC1 ZINC000562984334 1018891595 /nfs/dbraw/zinc/89/15/95/1018891595.db2.gz FKPMLCCLPSBFTB-OAQYLSRUSA-N 1 3 388.577 3.647 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000834578347 1021278550 /nfs/dbraw/zinc/27/85/50/1021278550.db2.gz MBWJIQOTIAAGIK-MOUTVQLLSA-N 1 3 380.532 3.761 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000834578347 1021278558 /nfs/dbraw/zinc/27/85/58/1021278558.db2.gz MBWJIQOTIAAGIK-MOUTVQLLSA-N 1 3 380.532 3.761 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001626147456 1021281573 /nfs/dbraw/zinc/28/15/73/1021281573.db2.gz CLGZHMFXUDIYJB-QFIPXVFZSA-N 1 3 399.604 3.593 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001626147456 1021281582 /nfs/dbraw/zinc/28/15/82/1021281582.db2.gz CLGZHMFXUDIYJB-QFIPXVFZSA-N 1 3 399.604 3.593 20 0 GHADHO CN1CCN(Cc2ccc(Nc3cccc4c3OCC[C@H]4[NH+](C)C)cc2)CC1 ZINC001204758604 1033073099 /nfs/dbraw/zinc/07/30/99/1033073099.db2.gz GSIODURDYZHEOV-JOCHJYFZSA-N 1 3 380.536 3.563 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccc5c(c4)OCCO5)CC[C@@H]3C2)cc1 ZINC001141042493 1023366808 /nfs/dbraw/zinc/36/68/08/1023366808.db2.gz SWMJQKHTTLYZBO-FGZHOGPDSA-N 1 3 378.516 3.802 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H]3CN(Cc4ccc5c(c4)OCCO5)CC[C@@H]3C2)cc1 ZINC001141042493 1023366814 /nfs/dbraw/zinc/36/68/14/1023366814.db2.gz SWMJQKHTTLYZBO-FGZHOGPDSA-N 1 3 378.516 3.802 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000837884720 1024781344 /nfs/dbraw/zinc/78/13/44/1024781344.db2.gz UGMXYJRMUNIKHF-NRFANRHFSA-N 1 3 388.600 3.662 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc(Cl)n1 ZINC000831870772 1024958760 /nfs/dbraw/zinc/95/87/60/1024958760.db2.gz DNPFUEPEUVFUGW-IBGZPJMESA-N 1 3 386.927 3.710 20 0 GHADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001229073823 1033264012 /nfs/dbraw/zinc/26/40/12/1033264012.db2.gz ONEQSWMALYRSMS-FCHUYYIVSA-N 1 3 394.563 3.538 20 0 GHADHO CCC(=O)Oc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001138960607 1025661933 /nfs/dbraw/zinc/66/19/33/1025661933.db2.gz QZLMJWHPMZDSSM-VXKWHMMOSA-N 1 3 378.516 3.874 20 0 GHADHO [NH3+]CCCP(CCCNc1ncccc1CN1CCCC1)c1ccccc1 ZINC001162469063 1025759318 /nfs/dbraw/zinc/75/93/18/1025759318.db2.gz KHLQQVLTPFNXGS-UHFFFAOYSA-N 1 3 384.508 3.636 20 0 GHADHO CCOc1c(F)cc(NCC2(N(C)C)CC[NH+](C)CC2)cc1C(F)(F)F ZINC001164216459 1026455688 /nfs/dbraw/zinc/45/56/88/1026455688.db2.gz CETMABKVCBJTBB-UHFFFAOYSA-N 1 3 377.426 3.681 20 0 GHADHO C[C@@]1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001139617159 1026482245 /nfs/dbraw/zinc/48/22/45/1026482245.db2.gz KQOUUTJYFINAFU-DEOSSOPVSA-N 1 3 390.531 3.933 20 0 GHADHO C[C@@]1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001139617159 1026482252 /nfs/dbraw/zinc/48/22/52/1026482252.db2.gz KQOUUTJYFINAFU-DEOSSOPVSA-N 1 3 390.531 3.933 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)o1 ZINC001204391273 1026574710 /nfs/dbraw/zinc/57/47/10/1026574710.db2.gz PJBCWSKPRYNZAR-HXUWFJFHSA-N 1 3 383.536 3.740 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)o1 ZINC001204391273 1026574712 /nfs/dbraw/zinc/57/47/12/1026574712.db2.gz PJBCWSKPRYNZAR-HXUWFJFHSA-N 1 3 383.536 3.740 20 0 GHADHO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC001461154114 1069415855 /nfs/dbraw/zinc/41/58/55/1069415855.db2.gz IAAJPRNQFPKRDL-HXUWFJFHSA-N 1 3 390.531 3.740 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC001203821204 1027634580 /nfs/dbraw/zinc/63/45/80/1027634580.db2.gz QJPJYLAYZDCIHE-JOCHJYFZSA-N 1 3 395.547 3.593 20 0 GHADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000840888196 1027924832 /nfs/dbraw/zinc/92/48/32/1027924832.db2.gz CNSICIKXSBHBFE-QGZVFWFLSA-N 1 3 383.511 3.682 20 0 GHADHO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCC[C@H]1CC[NH2+]C1 ZINC000841037444 1028060247 /nfs/dbraw/zinc/06/02/47/1028060247.db2.gz TUOLTBJXOQQLBR-CYBMUJFWSA-N 1 3 386.849 3.942 20 0 GHADHO Cc1cc(C)c(/C=C\CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1C ZINC001461352149 1069514296 /nfs/dbraw/zinc/51/42/96/1069514296.db2.gz BQSHRSUZZVRFCY-BYMZIJLFSA-N 1 3 393.575 3.504 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843124414 1029816622 /nfs/dbraw/zinc/81/66/22/1029816622.db2.gz APGDBVBTPXBMAC-QZTJIDSGSA-N 1 3 390.934 3.854 20 0 GHADHO CCOc1ccc(-c2nc(CN(C)C3CCC([NH3+])CC3)cs2)cc1OC ZINC000843353531 1029933818 /nfs/dbraw/zinc/93/38/18/1029933818.db2.gz BEDGZHDOCPLNGE-UHFFFAOYSA-N 1 3 375.538 3.919 20 0 GHADHO COc1ccc(Oc2cccc(CN3CCOCC4(CC[NH2+]CC4)C3)c2)cc1 ZINC001222400822 1030108013 /nfs/dbraw/zinc/10/80/13/1030108013.db2.gz JGSMTGGBACHHSI-UHFFFAOYSA-N 1 3 382.504 3.690 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)N2Cc2ccc3c(c2)NCC3)cc1 ZINC001222595504 1030222556 /nfs/dbraw/zinc/22/25/56/1030222556.db2.gz BPPBRMJXIUXXCC-QHCPKHFHSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2Cc2ccc3c(c2)NCC3)cc1 ZINC001222595504 1030222557 /nfs/dbraw/zinc/22/25/57/1030222557.db2.gz BPPBRMJXIUXXCC-QHCPKHFHSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2Cc2ccc3c(c2)NCC3)cc1 ZINC001222595504 1030222559 /nfs/dbraw/zinc/22/25/59/1030222559.db2.gz BPPBRMJXIUXXCC-QHCPKHFHSA-N 1 3 391.559 3.958 20 0 GHADHO Cc1cccc2c1C1(C[C@H]2CC(=O)Nc2cc([C@@H]3CCCN3)no2)CC[NH2+]CC1 ZINC001218713715 1031044916 /nfs/dbraw/zinc/04/49/16/1031044916.db2.gz UTNXNUNNEALZKZ-AEFFLSMTSA-N 1 3 394.519 3.545 20 0 GHADHO CC[C@H](C)[C@@H]([NH2+]C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001218846104 1031110629 /nfs/dbraw/zinc/11/06/29/1031110629.db2.gz UYLIGJYQRCNPOO-WMZHIEFXSA-N 1 3 394.563 3.581 20 0 GHADHO CN1Cc2c(NC(=O)[C@]3(C)CC(C)(C)C[NH2+]3)cccc2[C@H](c2ccccc2)C1 ZINC001219047103 1031229998 /nfs/dbraw/zinc/22/99/98/1031229998.db2.gz QBGUVPQEVUWILA-CYFREDJKSA-N 1 3 377.532 3.981 20 0 GHADHO CCc1cc(Oc2cccc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)c2)ccc1Cl ZINC001219230076 1031315348 /nfs/dbraw/zinc/31/53/48/1031315348.db2.gz DZEKEKAKRQNRFH-OPAMFIHVSA-N 1 3 399.922 3.832 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC001220627208 1032027050 /nfs/dbraw/zinc/02/70/50/1032027050.db2.gz WEAZLDMVKQNGPR-HLIPFELVSA-N 1 3 392.613 3.573 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC001220627208 1032027070 /nfs/dbraw/zinc/02/70/70/1032027070.db2.gz WEAZLDMVKQNGPR-HLIPFELVSA-N 1 3 392.613 3.573 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC001220627209 1032027503 /nfs/dbraw/zinc/02/75/03/1032027503.db2.gz WEAZLDMVKQNGPR-QKLQHJQFSA-N 1 3 392.613 3.573 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC001220627209 1032027515 /nfs/dbraw/zinc/02/75/15/1032027515.db2.gz WEAZLDMVKQNGPR-QKLQHJQFSA-N 1 3 392.613 3.573 20 0 GHADHO COC(=O)N1CCC([NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC001205535745 1033457150 /nfs/dbraw/zinc/45/71/50/1033457150.db2.gz RULVSBHEVSAOEA-HSZRJFAPSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CC12CC(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC001205554149 1033466800 /nfs/dbraw/zinc/46/68/00/1033466800.db2.gz AKSNLTJUAPPELB-KWUMJBAFSA-N 1 3 377.573 3.819 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CC12CC(NC[C@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC001205554149 1033466806 /nfs/dbraw/zinc/46/68/06/1033466806.db2.gz AKSNLTJUAPPELB-KWUMJBAFSA-N 1 3 377.573 3.819 20 0 GHADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001229587768 1033575574 /nfs/dbraw/zinc/57/55/74/1033575574.db2.gz CKFPRVWLRBBQIX-UEVCKROQSA-N 1 3 398.595 3.746 20 0 GHADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001229587768 1033575580 /nfs/dbraw/zinc/57/55/80/1033575580.db2.gz CKFPRVWLRBBQIX-UEVCKROQSA-N 1 3 398.595 3.746 20 0 GHADHO CN(C)Cc1ccc(-c2noc(C3(c4cccc(F)c4)CC[NH2+]CC3)n2)cc1 ZINC001206176962 1033754705 /nfs/dbraw/zinc/75/47/05/1033754705.db2.gz KUKNWNHMPYUWEI-UHFFFAOYSA-N 1 3 380.467 3.607 20 0 GHADHO CN1CCC(N(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)C2CC[NH2+]CC2)CC1 ZINC001158588644 1034180355 /nfs/dbraw/zinc/18/03/55/1034180355.db2.gz AVJAVIOONLQYKV-UHFFFAOYSA-N 1 3 387.616 3.724 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207288894 1034238183 /nfs/dbraw/zinc/23/81/83/1034238183.db2.gz DUCOTGHOGGLYLJ-FCHUYYIVSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001207376740 1034321587 /nfs/dbraw/zinc/32/15/87/1034321587.db2.gz ZQMDOOSDLYAQOI-XUZZJYLKSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001207376740 1034321596 /nfs/dbraw/zinc/32/15/96/1034321596.db2.gz ZQMDOOSDLYAQOI-XUZZJYLKSA-N 1 3 399.579 3.984 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@@H](C)C[NH+](C)C)cc54)O[C@H](CN3C1)C2 ZINC001231319554 1034515535 /nfs/dbraw/zinc/51/55/35/1034515535.db2.gz ZFMRQSOQGFXYFS-IACUQSCCSA-N 1 3 395.547 3.878 20 0 GHADHO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(CN3CCN(C)CC3)c2)C1 ZINC001159391302 1034575790 /nfs/dbraw/zinc/57/57/90/1034575790.db2.gz QPNCLWWBHRQKST-JBACZVJFSA-N 1 3 393.579 3.804 20 0 GHADHO CCCN(CCC[NH+](C)C)C[C@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001207827929 1034605270 /nfs/dbraw/zinc/60/52/70/1034605270.db2.gz PTDIAIROJDDXAF-SJORKVTESA-N 1 3 391.547 3.788 20 0 GHADHO COc1ccc(Cl)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460277 1034606001 /nfs/dbraw/zinc/60/60/01/1034606001.db2.gz GXPMCCRGDMSQJY-UHFFFAOYSA-N 1 3 384.911 3.653 20 0 GHADHO Cc1cccc2ncc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)nc12 ZINC001159461309 1034607448 /nfs/dbraw/zinc/60/74/48/1034607448.db2.gz VPFWQPVGEFJOAP-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO C[C@@H]1CCc2nnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)cc2C1 ZINC001159468562 1034609346 /nfs/dbraw/zinc/60/93/46/1034609346.db2.gz ZVTLHOMZFAQASQ-QGZVFWFLSA-N 1 3 389.547 3.511 20 0 GHADHO COc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707283 1034849470 /nfs/dbraw/zinc/84/94/70/1034849470.db2.gz IAQOZCFTFPYVEV-OAQYLSRUSA-N 1 3 382.504 3.574 20 0 GHADHO COc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707283 1034849486 /nfs/dbraw/zinc/84/94/86/1034849486.db2.gz IAQOZCFTFPYVEV-OAQYLSRUSA-N 1 3 382.504 3.574 20 0 GHADHO CCN1CCN(c2ccc(Nc3ccccc3O[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001160232734 1034911543 /nfs/dbraw/zinc/91/15/43/1034911543.db2.gz HQAMUOUPNCHPJZ-OAQYLSRUSA-N 1 3 380.536 3.703 20 0 GHADHO C[N@@H+]1CCC[C@@H](CN2CCC3(Cc4cc(Br)ccc4O3)CC2)C1 ZINC001208616667 1034954759 /nfs/dbraw/zinc/95/47/59/1034954759.db2.gz KZGCQTUEWBYCFW-OAHLLOKOSA-N 1 3 379.342 3.560 20 0 GHADHO C[N@H+]1CCC[C@@H](CN2CCC3(Cc4cc(Br)ccc4O3)CC2)C1 ZINC001208616667 1034954762 /nfs/dbraw/zinc/95/47/62/1034954762.db2.gz KZGCQTUEWBYCFW-OAHLLOKOSA-N 1 3 379.342 3.560 20 0 GHADHO N[C@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC001160460879 1034981691 /nfs/dbraw/zinc/98/16/91/1034981691.db2.gz GDXUJJKFJSZNCB-CRAIPNDOSA-N 1 3 384.351 3.860 20 0 GHADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N2CC3(CC[NH2+]CC3)c3ccccc32)cc1 ZINC001160698938 1035039273 /nfs/dbraw/zinc/03/92/73/1035039273.db2.gz VPUYRDQJHYJYHK-OAQYLSRUSA-N 1 3 391.559 3.522 20 0 GHADHO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2cc3cnccc3[nH]2)CC1 ZINC001232014991 1035045409 /nfs/dbraw/zinc/04/54/09/1035045409.db2.gz QHRVBHKRBXOSCK-UHFFFAOYSA-N 1 3 394.519 3.677 20 0 GHADHO COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2cc3cnccc3[nH]2)CC1 ZINC001232014991 1035045418 /nfs/dbraw/zinc/04/54/18/1035045418.db2.gz QHRVBHKRBXOSCK-UHFFFAOYSA-N 1 3 394.519 3.677 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cc3ncccc3[nH]1)CC2 ZINC001232064790 1035074547 /nfs/dbraw/zinc/07/45/47/1035074547.db2.gz VKSTXCLQVMFQQI-OAQYLSRUSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cc3ncccc3[nH]1)CC2 ZINC001232064790 1035074556 /nfs/dbraw/zinc/07/45/56/1035074556.db2.gz VKSTXCLQVMFQQI-OAQYLSRUSA-N 1 3 390.531 3.818 20 0 GHADHO OC1(Cc2ccccc2)CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208930009 1035093334 /nfs/dbraw/zinc/09/33/34/1035093334.db2.gz YSMOBBJHSCMWGG-DEOSSOPVSA-N 1 3 378.560 3.968 20 0 GHADHO OC1(Cc2ccccc2)CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208930009 1035093343 /nfs/dbraw/zinc/09/33/43/1035093343.db2.gz YSMOBBJHSCMWGG-DEOSSOPVSA-N 1 3 378.560 3.968 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCN2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930916 1035093827 /nfs/dbraw/zinc/09/38/27/1035093827.db2.gz GDSJFYQFNGNXAZ-FKBYEOEOSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCN2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930916 1035093836 /nfs/dbraw/zinc/09/38/36/1035093836.db2.gz GDSJFYQFNGNXAZ-FKBYEOEOSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC001160932390 1035097848 /nfs/dbraw/zinc/09/78/48/1035097848.db2.gz BWSTYDYPCBQKHE-XZOQPEGZSA-N 1 3 399.579 3.606 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@@H](CN3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208935674 1035102495 /nfs/dbraw/zinc/10/24/95/1035102495.db2.gz LDEIVBKTYZNXRK-DSNGMDLFSA-N 1 3 398.591 3.949 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@@H](CN3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208935674 1035102502 /nfs/dbraw/zinc/10/25/02/1035102502.db2.gz LDEIVBKTYZNXRK-DSNGMDLFSA-N 1 3 398.591 3.949 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@@H](CN(Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937200 1035105355 /nfs/dbraw/zinc/10/53/55/1035105355.db2.gz RNJNVIOXIOYPLX-HSZRJFAPSA-N 1 3 379.548 3.975 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@@H](CN(Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937200 1035105363 /nfs/dbraw/zinc/10/53/63/1035105363.db2.gz RNJNVIOXIOYPLX-HSZRJFAPSA-N 1 3 379.548 3.975 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208941518 1035109499 /nfs/dbraw/zinc/10/94/99/1035109499.db2.gz LFHTZSQLQIADSK-WWNPGLIZSA-N 1 3 378.516 3.745 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208941518 1035109504 /nfs/dbraw/zinc/10/95/04/1035109504.db2.gz LFHTZSQLQIADSK-WWNPGLIZSA-N 1 3 378.516 3.745 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(CCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943904 1035113356 /nfs/dbraw/zinc/11/33/56/1035113356.db2.gz WMIQWBVVSZCVRY-URXFXBBRSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(CCN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943904 1035113363 /nfs/dbraw/zinc/11/33/63/1035113363.db2.gz WMIQWBVVSZCVRY-URXFXBBRSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)CC(=O)NC1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208944923 1035115288 /nfs/dbraw/zinc/11/52/88/1035115288.db2.gz PQJWGQDGFZLZDB-OAQYLSRUSA-N 1 3 385.596 3.915 20 0 GHADHO CC(C)(C)CC(=O)NC1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208944923 1035115293 /nfs/dbraw/zinc/11/52/93/1035115293.db2.gz PQJWGQDGFZLZDB-OAQYLSRUSA-N 1 3 385.596 3.915 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H](CN3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208945415 1035115765 /nfs/dbraw/zinc/11/57/65/1035115765.db2.gz NIGHTVUICRVYCZ-MOUTVQLLSA-N 1 3 384.564 3.557 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H](CN3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208945415 1035115771 /nfs/dbraw/zinc/11/57/71/1035115771.db2.gz NIGHTVUICRVYCZ-MOUTVQLLSA-N 1 3 384.564 3.557 20 0 GHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953513 1035125233 /nfs/dbraw/zinc/12/52/33/1035125233.db2.gz QMWOOOGCXPFWDT-NHCUHLMSSA-N 1 3 387.568 3.840 20 0 GHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953513 1035125239 /nfs/dbraw/zinc/12/52/39/1035125239.db2.gz QMWOOOGCXPFWDT-NHCUHLMSSA-N 1 3 387.568 3.840 20 0 GHADHO CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(F)cc(C[NH+](C)C)c1)[C@@H]2C ZINC001232147578 1035125551 /nfs/dbraw/zinc/12/55/51/1035125551.db2.gz CJXAJXVCQJSDCB-QGZVFWFLSA-N 1 3 387.547 3.501 20 0 GHADHO Cc1ccc(C2(CC(=O)N(C)CCN(C)Cc3ccccc3)CC[NH2+]CC2)cc1 ZINC001161161538 1035163317 /nfs/dbraw/zinc/16/33/17/1035163317.db2.gz WDQDWNXKTLBSEK-UHFFFAOYSA-N 1 3 393.575 3.597 20 0 GHADHO C[C@@H](C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)c1cccc(Oc2ccccc2)c1 ZINC001161447827 1035233033 /nfs/dbraw/zinc/23/30/33/1035233033.db2.gz ZCHFPSBUECMETN-TZIWHRDSSA-N 1 3 395.547 3.725 20 0 GHADHO CN1CC[C@@]2(CC[N@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311298 1035238055 /nfs/dbraw/zinc/23/80/55/1035238055.db2.gz XWQLPQMYMBKICO-JOCHJYFZSA-N 1 3 379.589 3.974 20 0 GHADHO CN1CC[C@@]2(CC[N@@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311298 1035238060 /nfs/dbraw/zinc/23/80/60/1035238060.db2.gz XWQLPQMYMBKICO-JOCHJYFZSA-N 1 3 379.589 3.974 20 0 GHADHO O[C@@H](CN[C@@H](c1ccccc1F)C1CC[NH2+]CC1)COc1ccc(Cl)cc1 ZINC001245996631 1037116567 /nfs/dbraw/zinc/11/65/67/1037116567.db2.gz ATBFSHUGTPBLJU-LAUBAEHRSA-N 1 3 392.902 3.549 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1(c2cccc(F)c2)CCC(F)(F)CC1 ZINC001246007614 1037126945 /nfs/dbraw/zinc/12/69/45/1037126945.db2.gz DYEIRBAECFBUMR-VQTJNVASSA-N 1 3 392.465 3.751 20 0 GHADHO COc1ccc(CC2([NH2+][C@@H]3CCc4cc(F)cc(F)c4C3)CCNCC2)cc1 ZINC001246378815 1037337222 /nfs/dbraw/zinc/33/72/22/1037337222.db2.gz UHINVCCOPZXJRT-LJQANCHMSA-N 1 3 386.486 3.785 20 0 GHADHO COCCC1([NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CCNCC1 ZINC001246385870 1037345835 /nfs/dbraw/zinc/34/58/35/1037345835.db2.gz FTMZNJAATDKAQE-QHCPKHFHSA-N 1 3 394.559 3.871 20 0 GHADHO C[C@H](CS(=O)(=O)c1ccccc1)N[C@H](CC1CC[NH2+]CC1)c1ccccc1 ZINC001246397815 1037356888 /nfs/dbraw/zinc/35/68/88/1037356888.db2.gz UNYCRIYXKFBECD-XMSQKQJNSA-N 1 3 386.561 3.569 20 0 GHADHO CCn1c2ccccc2nc1N1CCC[C@H](N[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246403911 1037362232 /nfs/dbraw/zinc/36/22/32/1037362232.db2.gz FNTCKVRQNRYDJR-LVCYWYKZSA-N 1 3 383.584 3.781 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246422679 1037380448 /nfs/dbraw/zinc/38/04/48/1037380448.db2.gz MSHPBAXHBMXMCV-MAUKXSAKSA-N 1 3 398.469 3.996 20 0 GHADHO CCOC(=O)CC[C@@H](C)NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001246429254 1037389940 /nfs/dbraw/zinc/38/99/40/1037389940.db2.gz PMCQKRVHDONCTB-OAHLLOKOSA-N 1 3 386.458 3.692 20 0 GHADHO CCOC(=O)CC[C@@H](C)[NH2+]C1(Cc2ccc(C(F)(F)F)cc2)CCNCC1 ZINC001246429254 1037389962 /nfs/dbraw/zinc/38/99/62/1037389962.db2.gz PMCQKRVHDONCTB-OAHLLOKOSA-N 1 3 386.458 3.692 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([NH2+][C@H]2C[C@@](C)(N)C2)CC1 ZINC001246460760 1037418900 /nfs/dbraw/zinc/41/89/00/1037418900.db2.gz NAYSVJXFHSXWFN-FXSDRFNOSA-N 1 3 397.357 3.677 20 0 GHADHO FC1(F)CNCC[C@H]1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001246487787 1037434656 /nfs/dbraw/zinc/43/46/56/1037434656.db2.gz MJPDROQKMILNKN-BURNTYAHSA-N 1 3 377.523 3.797 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCC[NH2+]C3CCC(C)CC3)ccc12 ZINC001246492431 1037439792 /nfs/dbraw/zinc/43/97/92/1037439792.db2.gz GIUJGWONNSWZBI-LAGYLCCXSA-N 1 3 399.535 3.706 20 0 GHADHO CC[C@@H]1CC(NC[C@H]2COc3ccc(Br)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246508940 1037447638 /nfs/dbraw/zinc/44/76/38/1037447638.db2.gz GZNAGQRZSDSRMO-IAOVAPTHSA-N 1 3 381.358 3.899 20 0 GHADHO C[C@@H](Cc1ccncc1)[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246620123 1037513632 /nfs/dbraw/zinc/51/36/32/1037513632.db2.gz PXNDDBGRJBLHBV-NZQKXSOJSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H](Cc1ccncc1)[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246620123 1037513634 /nfs/dbraw/zinc/51/36/34/1037513634.db2.gz PXNDDBGRJBLHBV-NZQKXSOJSA-N 1 3 379.548 3.816 20 0 GHADHO CC1(C)COC2(CCC([N@@H+]3CC[C@]4(c5ccccc5)CCNC[C@@H]4C3)CC2)OC1 ZINC001246675667 1037542522 /nfs/dbraw/zinc/54/25/22/1037542522.db2.gz XNAMLQMBZXRKQC-QPPBQGQZSA-N 1 3 398.591 3.952 20 0 GHADHO CC1(C)COC2(CCC([N@H+]3CC[C@]4(c5ccccc5)CCNC[C@@H]4C3)CC2)OC1 ZINC001246675667 1037542540 /nfs/dbraw/zinc/54/25/40/1037542540.db2.gz XNAMLQMBZXRKQC-QPPBQGQZSA-N 1 3 398.591 3.952 20 0 GHADHO COC(=O)[C@@H]1CCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677251 1037543442 /nfs/dbraw/zinc/54/34/42/1037543442.db2.gz MGYDGQOMPLKOJY-ACESQOTJSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677251 1037543449 /nfs/dbraw/zinc/54/34/49/1037543449.db2.gz MGYDGQOMPLKOJY-ACESQOTJSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@@H]1CC[N@H+]([C@H]2CCN[C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677251 1037543460 /nfs/dbraw/zinc/54/34/60/1037543460.db2.gz MGYDGQOMPLKOJY-ACESQOTJSA-N 1 3 378.516 3.586 20 0 GHADHO c1cncc(C[C@H]2[C@@H](OCC3CC3)CCN2[C@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246701056 1037556349 /nfs/dbraw/zinc/55/63/49/1037556349.db2.gz NCJPRQNATUGJKB-VABKMULXSA-N 1 3 383.580 3.949 20 0 GHADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C1)C2 ZINC001246880771 1037694905 /nfs/dbraw/zinc/69/49/05/1037694905.db2.gz RUIPMLLIHBMHMN-RRZZWSPOSA-N 1 3 384.564 3.748 20 0 GHADHO CCOC(=O)[C@H]1CC12CCC([N@H+](Cc1cccc(F)c1)C1CCNCC1)CC2 ZINC001246944991 1037749453 /nfs/dbraw/zinc/74/94/53/1037749453.db2.gz WNDQTKMEQRDEIH-YUVVGHDESA-N 1 3 388.527 3.892 20 0 GHADHO CCOC(=O)[C@H]1CC12CCC([N@@H+](Cc1cccc(F)c1)C1CCNCC1)CC2 ZINC001246944991 1037749473 /nfs/dbraw/zinc/74/94/73/1037749473.db2.gz WNDQTKMEQRDEIH-YUVVGHDESA-N 1 3 388.527 3.892 20 0 GHADHO CCOC(=O)N1CCC[C@H]([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CC1 ZINC001246946445 1037749781 /nfs/dbraw/zinc/74/97/81/1037749781.db2.gz NBGUGHOZWQQPSN-IBGZPJMESA-N 1 3 393.959 3.905 20 0 GHADHO CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CC1 ZINC001246946445 1037749798 /nfs/dbraw/zinc/74/97/98/1037749798.db2.gz NBGUGHOZWQQPSN-IBGZPJMESA-N 1 3 393.959 3.905 20 0 GHADHO CCOC(=O)N1CCC[C@H](N(Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CC1 ZINC001246946445 1037749818 /nfs/dbraw/zinc/74/98/18/1037749818.db2.gz NBGUGHOZWQQPSN-IBGZPJMESA-N 1 3 393.959 3.905 20 0 GHADHO COc1ccc(C[N@H+](C2CCNCC2)[C@H]2CCc3c(cccc3OC)C2)cc1F ZINC001246959454 1037778235 /nfs/dbraw/zinc/77/82/35/1037778235.db2.gz IPWKOOQERPQVKG-FQEVSTJZSA-N 1 3 398.522 3.954 20 0 GHADHO COc1ccc(C[N@@H+](C2CCNCC2)[C@H]2CCc3c(cccc3OC)C2)cc1F ZINC001246959454 1037778238 /nfs/dbraw/zinc/77/82/38/1037778238.db2.gz IPWKOOQERPQVKG-FQEVSTJZSA-N 1 3 398.522 3.954 20 0 GHADHO COc1ccc(CN(C2CC[NH2+]CC2)[C@H]2CCc3c(cccc3OC)C2)cc1F ZINC001246959454 1037778254 /nfs/dbraw/zinc/77/82/54/1037778254.db2.gz IPWKOOQERPQVKG-FQEVSTJZSA-N 1 3 398.522 3.954 20 0 GHADHO COc1ccc2c(c1)C[C@@H](N(Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1)C2 ZINC001246960791 1037780534 /nfs/dbraw/zinc/78/05/34/1037780534.db2.gz ODEDGFDRBIBXFS-FQEVSTJZSA-N 1 3 384.495 3.564 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+](C[C@H]3CCCNC3)C3CC3)CC[C@H]2C1 ZINC001246977000 1037802740 /nfs/dbraw/zinc/80/27/40/1037802740.db2.gz XIWBGTASYWJOEM-NRTAZHGZSA-N 1 3 395.591 3.781 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+](C[C@H]3CCCNC3)C3CC3)CC[C@H]2C1 ZINC001246977000 1037802754 /nfs/dbraw/zinc/80/27/54/1037802754.db2.gz XIWBGTASYWJOEM-NRTAZHGZSA-N 1 3 395.591 3.781 20 0 GHADHO CN1CC[C@]2(CC[N@H+](Cc3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001232770623 1038545588 /nfs/dbraw/zinc/54/55/88/1038545588.db2.gz QDNUIOPICGJIKM-NRFANRHFSA-N 1 3 391.581 3.569 20 0 GHADHO CN1CC[C@]2(CC[N@@H+](Cc3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001232770623 1038545593 /nfs/dbraw/zinc/54/55/93/1038545593.db2.gz QDNUIOPICGJIKM-NRFANRHFSA-N 1 3 391.581 3.569 20 0 GHADHO CN(C)c1ccc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)c(F)n1 ZINC001233115734 1038904746 /nfs/dbraw/zinc/90/47/46/1038904746.db2.gz DTOMVVAMPSMQOW-LJQANCHMSA-N 1 3 386.515 3.756 20 0 GHADHO CN(C)c1ccc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)c(F)n1 ZINC001233115734 1038904748 /nfs/dbraw/zinc/90/47/48/1038904748.db2.gz DTOMVVAMPSMQOW-LJQANCHMSA-N 1 3 386.515 3.756 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124722 1038910899 /nfs/dbraw/zinc/91/08/99/1038910899.db2.gz OMLKRPLGXLKIFF-AYPBNUJASA-N 1 3 393.510 3.830 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124722 1038910901 /nfs/dbraw/zinc/91/09/01/1038910901.db2.gz OMLKRPLGXLKIFF-AYPBNUJASA-N 1 3 393.510 3.830 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cnn3ccccc13)CC2 ZINC001233236950 1038995735 /nfs/dbraw/zinc/99/57/35/1038995735.db2.gz MYUWEIBBSYAAPL-QFIPXVFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cnn3ccccc13)CC2 ZINC001233236950 1038995737 /nfs/dbraw/zinc/99/57/37/1038995737.db2.gz MYUWEIBBSYAAPL-QFIPXVFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cnn3ccccc13)CC2 ZINC001233236949 1038995830 /nfs/dbraw/zinc/99/58/30/1038995830.db2.gz MYUWEIBBSYAAPL-JOCHJYFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cnn3ccccc13)CC2 ZINC001233236949 1038995835 /nfs/dbraw/zinc/99/58/35/1038995835.db2.gz MYUWEIBBSYAAPL-JOCHJYFZSA-N 1 3 390.531 3.590 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001233275016 1039043125 /nfs/dbraw/zinc/04/31/25/1039043125.db2.gz LABRAUOZAMVQSM-LJQANCHMSA-N 1 3 398.572 3.939 20 0 GHADHO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 ZINC001462340699 1070184604 /nfs/dbraw/zinc/18/46/04/1070184604.db2.gz GKTOGLCZIUZQLH-SFHVURJKSA-N 1 3 387.568 3.934 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC001252931457 1039268857 /nfs/dbraw/zinc/26/88/57/1039268857.db2.gz KRHDFTBWHZIBLX-PZJWPPBQSA-N 1 3 380.621 3.793 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC001252931457 1039268870 /nfs/dbraw/zinc/26/88/70/1039268870.db2.gz KRHDFTBWHZIBLX-PZJWPPBQSA-N 1 3 380.621 3.793 20 0 GHADHO O[C@]1(CN(Cc2ccccn2)C2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932833 1039270087 /nfs/dbraw/zinc/27/00/87/1039270087.db2.gz YGYLWJMFLLRCHU-XMMPIXPASA-N 1 3 379.548 3.853 20 0 GHADHO O[C@]1(CN(Cc2ccccn2)C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932833 1039270099 /nfs/dbraw/zinc/27/00/99/1039270099.db2.gz YGYLWJMFLLRCHU-XMMPIXPASA-N 1 3 379.548 3.853 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@](C)(O)c1ccccc1)CC2 ZINC001253099133 1039420951 /nfs/dbraw/zinc/42/09/51/1039420951.db2.gz FJXIKVZKFBRFJP-ZEQRLZLVSA-N 1 3 394.559 3.650 20 0 GHADHO COc1ccc(C2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC001254036178 1039967788 /nfs/dbraw/zinc/96/77/88/1039967788.db2.gz FGQDNYGYQCGNBN-UHFFFAOYSA-N 1 3 394.559 3.902 20 0 GHADHO Cc1cccc(C)c1OC[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254049906 1039974467 /nfs/dbraw/zinc/97/44/67/1039974467.db2.gz RSAIOYPYIUXRPZ-OAQYLSRUSA-N 1 3 382.548 3.687 20 0 GHADHO OC1(C[NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)CCN(Cc2ccccc2)CC1 ZINC001254051126 1039975518 /nfs/dbraw/zinc/97/55/18/1039975518.db2.gz XACZAFXIEPKZKO-OAQYLSRUSA-N 1 3 385.939 3.803 20 0 GHADHO [NH3+]C1(Cc2ccc(F)cc2)CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254620872 1040393323 /nfs/dbraw/zinc/39/33/23/1040393323.db2.gz VNLTVCQJXWKJTJ-UHFFFAOYSA-N 1 3 385.502 3.970 20 0 GHADHO Fc1ccc(-c2n[nH]cc2CN2CCC3(CC2)C[NH2+]Cc2ccccc23)cc1 ZINC001235087373 1040577015 /nfs/dbraw/zinc/57/70/15/1040577015.db2.gz WURRMXRDPNKMEN-UHFFFAOYSA-N 1 3 376.479 3.853 20 0 GHADHO COc1cc(Br)c(CN2CCCC[C@@H]2C2CC[NH2+]CC2)cc1O ZINC001235151810 1040642562 /nfs/dbraw/zinc/64/25/62/1040642562.db2.gz BQBCWPJXTJBKQX-MRXNPFEDSA-N 1 3 383.330 3.517 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]C3CCN(CC4CCCC4)CC3)C[C@@H]2C1 ZINC001254895604 1040651381 /nfs/dbraw/zinc/65/13/81/1040651381.db2.gz XXOSDFBAFVKKSS-CEQLMSFQSA-N 1 3 391.600 3.876 20 0 GHADHO CCOc1cc(CN2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)cn1 ZINC001235160220 1040653061 /nfs/dbraw/zinc/65/30/61/1040653061.db2.gz ZSDGCGKZPYKFCP-KRWDZBQOSA-N 1 3 382.346 3.597 20 0 GHADHO OCC1(N[C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001255069958 1040763033 /nfs/dbraw/zinc/76/30/33/1040763033.db2.gz ROODOVOUBKFWAU-VDKIKQQVSA-N 1 3 376.544 3.866 20 0 GHADHO OCC1(N[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001255069958 1040763037 /nfs/dbraw/zinc/76/30/37/1040763037.db2.gz ROODOVOUBKFWAU-VDKIKQQVSA-N 1 3 376.544 3.866 20 0 GHADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccc(F)cc1 ZINC001255126781 1040821166 /nfs/dbraw/zinc/82/11/66/1040821166.db2.gz PDACFGAVUOMJFC-KOUNCHBCSA-N 1 3 381.495 3.940 20 0 GHADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccc(F)cc1 ZINC001255126781 1040821173 /nfs/dbraw/zinc/82/11/73/1040821173.db2.gz PDACFGAVUOMJFC-KOUNCHBCSA-N 1 3 381.495 3.940 20 0 GHADHO CCc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn21 ZINC001255131842 1040828370 /nfs/dbraw/zinc/82/83/70/1040828370.db2.gz GWTOQEKHEXPRLC-MZADTFQBSA-N 1 3 375.520 3.577 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@]4(C[C@@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142049 1040850863 /nfs/dbraw/zinc/85/08/63/1040850863.db2.gz FREMXEXHBSDGOS-MQZWXTIWSA-N 1 3 396.575 3.842 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@]4(C[C@@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142049 1040850877 /nfs/dbraw/zinc/85/08/77/1040850877.db2.gz FREMXEXHBSDGOS-MQZWXTIWSA-N 1 3 396.575 3.842 20 0 GHADHO Cc1cc(O[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)ncn1 ZINC001255150641 1040871896 /nfs/dbraw/zinc/87/18/96/1040871896.db2.gz ODTYKKWRHHCCRQ-WZYRSQIMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)ncn1 ZINC001255150641 1040871906 /nfs/dbraw/zinc/87/19/06/1040871906.db2.gz ODTYKKWRHHCCRQ-WZYRSQIMSA-N 1 3 392.547 3.824 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235372799 1040879091 /nfs/dbraw/zinc/87/90/91/1040879091.db2.gz VDWHDJGIZWESQI-LADGPHEKSA-N 1 3 381.539 3.641 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001255187264 1040893799 /nfs/dbraw/zinc/89/37/99/1040893799.db2.gz CCSVNMSLUXRPSP-OGXDUAGGSA-N 1 3 397.563 3.639 20 0 GHADHO CC(C)c1cc(Br)cc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1 ZINC001235380351 1040900879 /nfs/dbraw/zinc/90/08/79/1040900879.db2.gz UOBSLMQWQCERAH-BHIYHBOVSA-N 1 3 379.342 3.525 20 0 GHADHO Cc1ccc(I)cc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428145 1040930228 /nfs/dbraw/zinc/93/02/28/1040930228.db2.gz PACUPKKDSOSQMH-HOTGVXAUSA-N 1 3 398.332 3.811 20 0 GHADHO COc1cc(C)c(Br)cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429625 1040931568 /nfs/dbraw/zinc/93/15/68/1040931568.db2.gz BJQDOKGYKIZMLH-HZPDHXFCSA-N 1 3 381.358 3.978 20 0 GHADHO Cc1c(I)cccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432867 1040933258 /nfs/dbraw/zinc/93/32/58/1040933258.db2.gz WSVXBWSTTOGUIT-WBVHZDCISA-N 1 3 398.332 3.811 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001255349554 1040954994 /nfs/dbraw/zinc/95/49/94/1040954994.db2.gz NMIIKCDWKGZQQU-AZUAARDMSA-N 1 3 376.516 3.749 20 0 GHADHO Cc1cnc(O[C@H]2CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)nc1 ZINC001255409658 1040998141 /nfs/dbraw/zinc/99/81/41/1040998141.db2.gz KERIKFJWKOAZIE-VXKWHMMOSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cnc(O[C@H]2CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)nc1 ZINC001255409658 1040998146 /nfs/dbraw/zinc/99/81/46/1040998146.db2.gz KERIKFJWKOAZIE-VXKWHMMOSA-N 1 3 380.536 3.683 20 0 GHADHO COc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409856 1040999397 /nfs/dbraw/zinc/99/93/97/1040999397.db2.gz LWFICUOTWKPENO-LEWJYISDSA-N 1 3 381.520 3.598 20 0 GHADHO COc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409856 1040999406 /nfs/dbraw/zinc/99/94/06/1040999406.db2.gz LWFICUOTWKPENO-LEWJYISDSA-N 1 3 381.520 3.598 20 0 GHADHO Fc1cccc(CN2CC[C@]23CCCN(Cc2cc4c(s2)C[NH2+]CC4)C3)c1 ZINC001235628874 1041061082 /nfs/dbraw/zinc/06/10/82/1041061082.db2.gz MBONMRNUYVXBAP-QFIPXVFZSA-N 1 3 385.552 3.773 20 0 GHADHO FC(F)(F)c1ccc(O[C@@H]2CCCN(Cc3ccc4n3CC[NH2+]C4)C2)cc1 ZINC001235688609 1041157700 /nfs/dbraw/zinc/15/77/00/1041157700.db2.gz RZKZAZGFYFPZNF-LJQANCHMSA-N 1 3 379.426 3.654 20 0 GHADHO O=C(c1ccc(Cl)cc1)C1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001235694822 1041170815 /nfs/dbraw/zinc/17/08/15/1041170815.db2.gz VWGOPKFVWRLZJW-UHFFFAOYSA-N 1 3 397.950 3.845 20 0 GHADHO C[N@H+](Cc1ccc(Cl)cc1)C1CCN(C2CCC3(CC2)OCCO3)CC1 ZINC001255628976 1041179365 /nfs/dbraw/zinc/17/93/65/1041179365.db2.gz BTFLZGBOYFJXOW-UHFFFAOYSA-N 1 3 378.944 3.922 20 0 GHADHO C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(C2CCC3(CC2)OCCO3)CC1 ZINC001255628976 1041179368 /nfs/dbraw/zinc/17/93/68/1041179368.db2.gz BTFLZGBOYFJXOW-UHFFFAOYSA-N 1 3 378.944 3.922 20 0 GHADHO COC(=O)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Br)cc1 ZINC001255677601 1041208804 /nfs/dbraw/zinc/20/88/04/1041208804.db2.gz WTYPGBUEOCFZCV-FBVQUNGASA-N 1 3 395.341 3.658 20 0 GHADHO CCOC(=O)c1ccc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001235871572 1041404091 /nfs/dbraw/zinc/40/40/91/1041404091.db2.gz DAVUPGASLWTLSN-UHFFFAOYSA-N 1 3 381.520 3.602 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255954640 1041434945 /nfs/dbraw/zinc/43/49/45/1041434945.db2.gz GSEOFHDCHSXQQK-IAGOWNOFSA-N 1 3 391.547 3.979 20 0 GHADHO c1c(CN2CCC3(CC2)OCCc2ccccc23)c2cccc3c2n1CC[NH2+]C3 ZINC001235946592 1041451469 /nfs/dbraw/zinc/45/14/69/1041451469.db2.gz MDDCFVWTIXTZPV-UHFFFAOYSA-N 1 3 387.527 3.809 20 0 GHADHO COC(=O)c1cccc2[nH]cc(CN3Cc4ccccc4C4(CC[NH2+]CC4)C3)c21 ZINC001235971990 1041477484 /nfs/dbraw/zinc/47/74/84/1041477484.db2.gz FAGAPKKBSSJMJH-UHFFFAOYSA-N 1 3 389.499 3.592 20 0 GHADHO c1ccc2c(c1)CN(Cc1ccc(N3CCCCC3)nc1)CC21CC[NH2+]CC1 ZINC001235975605 1041479473 /nfs/dbraw/zinc/47/94/73/1041479473.db2.gz YQCUJWLGOWBXKT-UHFFFAOYSA-N 1 3 376.548 3.709 20 0 GHADHO Fc1ccc(CN(Cc2ccc(Br)[nH]2)CC2CC[NH2+]CC2)cc1 ZINC001236384837 1041692230 /nfs/dbraw/zinc/69/22/30/1041692230.db2.gz GBEANEHTWFLMFH-UHFFFAOYSA-N 1 3 380.305 3.918 20 0 GHADHO COc1ccc2[nH]nc(CN(Cc3ccccc3F)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236536170 1041755692 /nfs/dbraw/zinc/75/56/92/1041755692.db2.gz BUNSJOYLUQYHSB-QAQDUYKDSA-N 1 3 382.483 3.983 20 0 GHADHO COc1ccc(CN(Cc2n[nH]c3cc(OC)ccc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236552702 1041759863 /nfs/dbraw/zinc/75/98/63/1041759863.db2.gz HORRHOMYYGJUMO-IYARVYRRSA-N 1 3 394.519 3.852 20 0 GHADHO Fc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)cc1N1CCCC1 ZINC001237093708 1042032895 /nfs/dbraw/zinc/03/28/95/1042032895.db2.gz VUXWTIOGUIRCFX-UHFFFAOYSA-N 1 3 389.559 3.750 20 0 GHADHO CCOC(=O)[C@@H]1CN(Cc2ccccc2Oc2ccc(F)cc2)CCC12C[NH2+]C2 ZINC001237431601 1042205225 /nfs/dbraw/zinc/20/52/25/1042205225.db2.gz SNQWBGXDVYHIMA-FQEVSTJZSA-N 1 3 398.478 3.593 20 0 GHADHO CCOC(=O)[C@@H]1CN(Cc2cccc(Oc3ccc(F)cc3)c2)CCC12C[NH2+]C2 ZINC001237430542 1042205815 /nfs/dbraw/zinc/20/58/15/1042205815.db2.gz KZFXZLKGUTUWCA-NRFANRHFSA-N 1 3 398.478 3.593 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccsc1C)CC2 ZINC001237966148 1042439370 /nfs/dbraw/zinc/43/93/70/1042439370.db2.gz HKLMDLLRPIFOMY-OAQYLSRUSA-N 1 3 385.577 3.955 20 0 GHADHO Clc1ccc2c(c1)n[nH]c2CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001237993773 1042448573 /nfs/dbraw/zinc/44/85/73/1042448573.db2.gz RMJOZKIQISCGFE-UHFFFAOYSA-N 1 3 376.932 3.541 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc(CN3CCN(C)CC3)c2)nc1 ZINC001240287346 1042918600 /nfs/dbraw/zinc/91/86/00/1042918600.db2.gz FYUZTKKXTXQRRI-HXUWFJFHSA-N 1 3 378.564 3.870 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(CN3CCN(C)CC3)c2)nc1 ZINC001240287346 1042918604 /nfs/dbraw/zinc/91/86/04/1042918604.db2.gz FYUZTKKXTXQRRI-HXUWFJFHSA-N 1 3 378.564 3.870 20 0 GHADHO CN1CCN(C2(c3ccc(-c4cncc(C[NH+]5CCCC5)c4)cc3)CC2)CC1 ZINC001240590570 1042945164 /nfs/dbraw/zinc/94/51/64/1042945164.db2.gz QFMYTUBHFQJYKH-UHFFFAOYSA-N 1 3 376.548 3.581 20 0 GHADHO COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2C1CCN(Cc2ccncc2)CC1 ZINC001256579804 1043550739 /nfs/dbraw/zinc/55/07/39/1043550739.db2.gz DZCHPLYYRNJNGK-QGZVFWFLSA-N 1 3 378.520 3.772 20 0 GHADHO CCC[NH+](CCC)CCCN1CCN([C@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256658986 1043601927 /nfs/dbraw/zinc/60/19/27/1043601927.db2.gz PGADLETYPJJFJG-QFIPXVFZSA-N 1 3 387.612 3.682 20 0 GHADHO c1ccc(COc2cccc(C[NH2+]C3CCC(N4CCOCC4)CC3)c2)cc1 ZINC001256677301 1043616802 /nfs/dbraw/zinc/61/68/02/1043616802.db2.gz BNLQCQGGRCWBBV-UHFFFAOYSA-N 1 3 380.532 3.999 20 0 GHADHO CC(C)(C)OC(=O)C1(C[NH2+]C2CCC(N3CCOCC3)CC2)CCCCC1 ZINC001256686754 1043622067 /nfs/dbraw/zinc/62/20/67/1043622067.db2.gz CWQRSCNPWYOJRE-UHFFFAOYSA-N 1 3 380.573 3.512 20 0 GHADHO FC(F)(F)c1ccc2c(c1)OCC[C@@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685873 1043622128 /nfs/dbraw/zinc/62/21/28/1043622128.db2.gz IIXYZCPQGNWNHR-HTWSVDAQSA-N 1 3 384.442 3.762 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256695911 1043626774 /nfs/dbraw/zinc/62/67/74/1043626774.db2.gz AIBFLEQPZOHJIB-IJDVVPKISA-N 1 3 394.600 3.711 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256695911 1043626783 /nfs/dbraw/zinc/62/67/83/1043626783.db2.gz AIBFLEQPZOHJIB-IJDVVPKISA-N 1 3 394.600 3.711 20 0 GHADHO N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256906776 1043733219 /nfs/dbraw/zinc/73/32/19/1043733219.db2.gz DGDPIXDPLGBTFK-CJTFFPMFSA-N 1 3 387.571 3.970 20 0 GHADHO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H]4CCC[N@@H+](C5CCCC5)C4)CCN3C2)cc1 ZINC001256918535 1043747322 /nfs/dbraw/zinc/74/73/22/1043747322.db2.gz PSPKGLFCLOPRBT-CQOQZXRMSA-N 1 3 383.580 3.539 20 0 GHADHO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H]4CCC[N@H+](C5CCCC5)C4)CCN3C2)cc1 ZINC001256918535 1043747333 /nfs/dbraw/zinc/74/73/33/1043747333.db2.gz PSPKGLFCLOPRBT-CQOQZXRMSA-N 1 3 383.580 3.539 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C3)C[C@H]2C1 ZINC001257206436 1043936522 /nfs/dbraw/zinc/93/65/22/1043936522.db2.gz TWYQAYAKLRZSCB-WTGUMLROSA-N 1 3 379.589 3.684 20 0 GHADHO CC(C)[NH+]1CCC(N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)CC1 ZINC001257221048 1043941704 /nfs/dbraw/zinc/94/17/04/1043941704.db2.gz ZUHOBCHKBNKBCB-QHCPKHFHSA-N 1 3 395.591 3.935 20 0 GHADHO CC(C)Oc1ccc(Cl)cc1CN1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001279042165 1044150705 /nfs/dbraw/zinc/15/07/05/1044150705.db2.gz SSBQSVZUAWINMD-UHFFFAOYSA-N 1 3 379.976 3.587 20 0 GHADHO CCN(C)C1CC[NH+]([C@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818029 1044198987 /nfs/dbraw/zinc/19/89/87/1044198987.db2.gz CYZICOGDKADQAI-UGKGYDQZSA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@H+](C)C1CCN([C@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818029 1044198991 /nfs/dbraw/zinc/19/89/91/1044198991.db2.gz CYZICOGDKADQAI-UGKGYDQZSA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@@H+](C)C1CCN([C@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818029 1044198996 /nfs/dbraw/zinc/19/89/96/1044198996.db2.gz CYZICOGDKADQAI-UGKGYDQZSA-N 1 3 379.589 3.972 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C1CCC3(COC3)CC1)CC2 ZINC001257907088 1044254598 /nfs/dbraw/zinc/25/45/98/1044254598.db2.gz JWRNQHFXZRMVCG-IBGZPJMESA-N 1 3 390.593 3.763 20 0 GHADHO CC(C)C[NH+]1CCC(N2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)CC1 ZINC001258013386 1044339977 /nfs/dbraw/zinc/33/99/77/1044339977.db2.gz QDJWAXDZGZCUKK-UHFFFAOYSA-N 1 3 389.609 3.797 20 0 GHADHO CC(C)C[NH+]1CCC(N2CCC3(CC[C@H]3NC(=O)OC(C)(C)C)CC2)CC1 ZINC001258020029 1044346344 /nfs/dbraw/zinc/34/63/44/1044346344.db2.gz LUFKJSJGUBUHOR-LJQANCHMSA-N 1 3 379.589 3.876 20 0 GHADHO COc1cccc(C2(NC3CC[NH+](CCc4ccccc4)CC3)CCOCC2)c1 ZINC001258137636 1044422176 /nfs/dbraw/zinc/42/21/76/1044422176.db2.gz KQRVPNCUCOWTLI-UHFFFAOYSA-N 1 3 394.559 3.998 20 0 GHADHO O=C1Nc2ccccc2C12CCN(C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258143720 1044431379 /nfs/dbraw/zinc/43/13/79/1044431379.db2.gz PAVMGJQTUUFQTP-UHFFFAOYSA-N 1 3 389.543 3.679 20 0 GHADHO O=C(c1ccccc1)N1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC001258639425 1044682347 /nfs/dbraw/zinc/68/23/47/1044682347.db2.gz CPFRQQFUSZLXBA-UHFFFAOYSA-N 1 3 383.580 3.926 20 0 GHADHO Brc1csc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001279165150 1047734470 /nfs/dbraw/zinc/73/44/70/1047734470.db2.gz LSSKXSVNVYSKNF-GASCZTMLSA-N 1 3 395.370 3.578 20 0 GHADHO Brc1csc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001279165150 1047734475 /nfs/dbraw/zinc/73/44/75/1047734475.db2.gz LSSKXSVNVYSKNF-GASCZTMLSA-N 1 3 395.370 3.578 20 0 GHADHO CSc1nccc(CN2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)n1 ZINC001279187104 1047739633 /nfs/dbraw/zinc/73/96/33/1047739633.db2.gz VLIVSTJHBCGSAZ-GASCZTMLSA-N 1 3 388.503 3.685 20 0 GHADHO CSc1nccc(CN2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)n1 ZINC001279187104 1047739638 /nfs/dbraw/zinc/73/96/38/1047739638.db2.gz VLIVSTJHBCGSAZ-GASCZTMLSA-N 1 3 388.503 3.685 20 0 GHADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1ccc(Cl)nc1)CC2 ZINC001279650739 1047893017 /nfs/dbraw/zinc/89/30/17/1047893017.db2.gz XBZPNQJESJSQOX-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1ccc(Cl)nc1)CC2 ZINC001279650739 1047893030 /nfs/dbraw/zinc/89/30/30/1047893030.db2.gz XBZPNQJESJSQOX-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO Cc1cccc(Br)c1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001280269487 1048153985 /nfs/dbraw/zinc/15/39/85/1048153985.db2.gz BWHXDSSWMXLNCB-UHFFFAOYSA-N 1 3 394.401 3.607 20 0 GHADHO Cc1cccc(Br)c1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001280269487 1048153988 /nfs/dbraw/zinc/15/39/88/1048153988.db2.gz BWHXDSSWMXLNCB-UHFFFAOYSA-N 1 3 394.401 3.607 20 0 GHADHO CN(CCNC(=O)C1CC[NH+](CC23CCC(CC2)C3)CC1)Cc1ccccc1 ZINC001307503878 1049345541 /nfs/dbraw/zinc/34/55/41/1049345541.db2.gz LUONPEMKMAGJRH-UHFFFAOYSA-N 1 3 383.580 3.527 20 0 GHADHO CCn1cnc(Cl)c1CNCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001308198499 1049909659 /nfs/dbraw/zinc/90/96/59/1049909659.db2.gz UZXLWGZUNHWBLR-UHFFFAOYSA-N 1 3 389.975 3.557 20 0 GHADHO C[NH+](C)CCOc1cccc(CNCc2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC001308209037 1049913795 /nfs/dbraw/zinc/91/37/95/1049913795.db2.gz KVWDMBLFUGFSLM-UHFFFAOYSA-N 1 3 384.911 3.960 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H](C)N2CCCCC2)C[C@H]1C(F)(F)F ZINC001308686151 1050059802 /nfs/dbraw/zinc/05/98/02/1050059802.db2.gz YSZSVAXYIWFXQR-MWDXBVQZSA-N 1 3 378.479 3.751 20 0 GHADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)c1Br ZINC001308743228 1050078471 /nfs/dbraw/zinc/07/84/71/1050078471.db2.gz SIQZZXIAHRAADB-LJQANCHMSA-N 1 3 394.401 3.666 20 0 GHADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)c1Br ZINC001308743228 1050078475 /nfs/dbraw/zinc/07/84/75/1050078475.db2.gz SIQZZXIAHRAADB-LJQANCHMSA-N 1 3 394.401 3.666 20 0 GHADHO CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC001308957492 1050218207 /nfs/dbraw/zinc/21/82/07/1050218207.db2.gz CPOLJMYLIALROE-ZCNNSNEGSA-N 1 3 385.552 3.686 20 0 GHADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC001308957492 1050218217 /nfs/dbraw/zinc/21/82/17/1050218217.db2.gz CPOLJMYLIALROE-ZCNNSNEGSA-N 1 3 385.552 3.686 20 0 GHADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC001308957492 1050218223 /nfs/dbraw/zinc/21/82/23/1050218223.db2.gz CPOLJMYLIALROE-ZCNNSNEGSA-N 1 3 385.552 3.686 20 0 GHADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001312014306 1052530175 /nfs/dbraw/zinc/53/01/75/1052530175.db2.gz ZQYJXFCHZNWLQD-YADHBBJMSA-N 1 3 384.568 3.530 20 0 GHADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001312014306 1052530178 /nfs/dbraw/zinc/53/01/78/1052530178.db2.gz ZQYJXFCHZNWLQD-YADHBBJMSA-N 1 3 384.568 3.530 20 0 GHADHO Cc1ccc(CN2CCCN(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC001317899301 1054297248 /nfs/dbraw/zinc/29/72/48/1054297248.db2.gz OWBJQBLNHKVXDW-HSZRJFAPSA-N 1 3 394.563 3.515 20 0 GHADHO C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001319959012 1055563401 /nfs/dbraw/zinc/56/34/01/1055563401.db2.gz BNXHFXFPPCKOBR-JMJGKCIBSA-N 1 3 383.580 3.525 20 0 GHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001200822168 1056990427 /nfs/dbraw/zinc/99/04/27/1056990427.db2.gz RWAPLRNUZKSBAI-WOJBJXKFSA-N 1 3 387.568 3.942 20 0 GHADHO Cc1ccccc1C1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000849072197 1057581528 /nfs/dbraw/zinc/58/15/28/1057581528.db2.gz SSAZLFLWNBNOHO-UHFFFAOYSA-N 1 3 376.548 3.805 20 0 GHADHO COCCC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000849092447 1057592116 /nfs/dbraw/zinc/59/21/16/1057592116.db2.gz GOLFFDYZYJQACE-UHFFFAOYSA-N 1 3 386.584 3.752 20 0 GHADHO CC[NH+]1CCC(C(=O)N2CCN(C3CCCCC3)CC2)(c2ccccc2)CC1 ZINC001546027327 1060716457 /nfs/dbraw/zinc/71/64/57/1060716457.db2.gz VUBRIUGXCBCJSW-UHFFFAOYSA-N 1 3 383.580 3.517 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001341793056 1060899852 /nfs/dbraw/zinc/89/98/52/1060899852.db2.gz ZAZOASGQFUQSCH-PMACEKPBSA-N 1 3 395.572 3.521 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001341793056 1060899873 /nfs/dbraw/zinc/89/98/73/1060899873.db2.gz ZAZOASGQFUQSCH-PMACEKPBSA-N 1 3 395.572 3.521 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc([C@H]4CCC[N@@H+](C)C4)c3)C2)cc1 ZINC001457981683 1063481609 /nfs/dbraw/zinc/48/16/09/1063481609.db2.gz SNCLOLFNVNTMIF-BJKOFHAPSA-N 1 3 391.559 3.809 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)C2)cc1 ZINC001457981683 1063481639 /nfs/dbraw/zinc/48/16/39/1063481639.db2.gz SNCLOLFNVNTMIF-BJKOFHAPSA-N 1 3 391.559 3.809 20 0 GHADHO CN(CCCOc1cccc(C(C)(C)C)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC001459887256 1064257685 /nfs/dbraw/zinc/25/76/85/1064257685.db2.gz ULPADZRKBHFPKV-UHFFFAOYSA-N 1 3 375.601 3.711 20 0 GHADHO CN(CCCOc1cccc(C(C)(C)C)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC001459887256 1064257689 /nfs/dbraw/zinc/25/76/89/1064257689.db2.gz ULPADZRKBHFPKV-UHFFFAOYSA-N 1 3 375.601 3.711 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905720 1064265369 /nfs/dbraw/zinc/26/53/69/1064265369.db2.gz LPYAZWMUPSFIRC-LADGPHEKSA-N 1 3 379.548 3.503 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905720 1064265379 /nfs/dbraw/zinc/26/53/79/1064265379.db2.gz LPYAZWMUPSFIRC-LADGPHEKSA-N 1 3 379.548 3.503 20 0 GHADHO CC(C)(C)OC(=O)N(CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC001460049800 1064375310 /nfs/dbraw/zinc/37/53/10/1064375310.db2.gz YMZUPMWCPXIDCR-OYRHEFFESA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N(CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC001460049800 1064375322 /nfs/dbraw/zinc/37/53/22/1064375322.db2.gz YMZUPMWCPXIDCR-OYRHEFFESA-N 1 3 399.579 3.840 20 0 GHADHO CN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001465743995 1065823963 /nfs/dbraw/zinc/82/39/63/1065823963.db2.gz AMJNEUJJNZARAY-PKTZIBPZSA-N 1 3 379.548 3.802 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc(C2CCCCCC2)cs1 ZINC001467140139 1067096708 /nfs/dbraw/zinc/09/67/08/1067096708.db2.gz RWBZBZLWRNJIHW-INIZCTEOSA-N 1 3 395.617 3.974 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc(C2CCCCCC2)cs1 ZINC001467140139 1067096724 /nfs/dbraw/zinc/09/67/24/1067096724.db2.gz RWBZBZLWRNJIHW-INIZCTEOSA-N 1 3 395.617 3.974 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001468173025 1067620081 /nfs/dbraw/zinc/62/00/81/1067620081.db2.gz APZAVLHBARMIPP-ZNTQHIFFSA-N 1 3 386.584 3.632 20 0 GHADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057399 1078694817 /nfs/dbraw/zinc/69/48/17/1078694817.db2.gz KOFPYZSOUVSRJM-PMACEKPBSA-N 1 3 392.975 3.506 20 0 GHADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057399 1078694825 /nfs/dbraw/zinc/69/48/25/1078694825.db2.gz KOFPYZSOUVSRJM-PMACEKPBSA-N 1 3 392.975 3.506 20 0 GHADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001470416913 1072540273 /nfs/dbraw/zinc/54/02/73/1072540273.db2.gz YJJZAUWSKHDOFM-FGZHOGPDSA-N 1 3 388.600 3.614 20 0 GHADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001478599453 1078930174 /nfs/dbraw/zinc/93/01/74/1078930174.db2.gz JYVKVIDDUHZJAP-SIKLNZKXSA-N 1 3 388.600 3.687 20 0 GHADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001471400060 1073053698 /nfs/dbraw/zinc/05/36/98/1073053698.db2.gz SYJJPBSRBOFIBX-PKTZIBPZSA-N 1 3 383.580 3.907 20 0 GHADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001471400060 1073053707 /nfs/dbraw/zinc/05/37/07/1073053707.db2.gz SYJJPBSRBOFIBX-PKTZIBPZSA-N 1 3 383.580 3.907 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(Br)cs2)[C@@H](C)C1 ZINC001473408626 1073953154 /nfs/dbraw/zinc/95/31/54/1073953154.db2.gz KSHBMMFIUFHPSI-BBRMVZONSA-N 1 3 375.376 3.737 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669917 1074076452 /nfs/dbraw/zinc/07/64/52/1074076452.db2.gz DRIHMWGZSBVGKD-SFTDATJTSA-N 1 3 375.557 3.723 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669917 1074076455 /nfs/dbraw/zinc/07/64/55/1074076455.db2.gz DRIHMWGZSBVGKD-SFTDATJTSA-N 1 3 375.557 3.723 20 0 GHADHO CCn1cnc(Cl)c1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001474042747 1074246108 /nfs/dbraw/zinc/24/61/08/1074246108.db2.gz ZLBMUGFLTNMBRO-UHFFFAOYSA-N 1 3 390.959 3.717 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC001474748174 1074544589 /nfs/dbraw/zinc/54/45/89/1074544589.db2.gz NOLGBABWFOAFLA-OIISXLGYSA-N 1 3 395.389 3.593 20 0 GHADHO O[C@H](COc1ccc(Cl)cc1)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889682 837500431 /nfs/dbraw/zinc/50/04/31/837500431.db2.gz KVEACBMNNKOWHT-FQEVSTJZSA-N 1 3 380.960 3.668 20 0 GHADHO CC(C)OC(=O)C[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000613540356 837732146 /nfs/dbraw/zinc/73/21/46/837732146.db2.gz XVEBDYPIXAEZQX-OAQYLSRUSA-N 1 3 388.552 3.715 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000655735320 837784698 /nfs/dbraw/zinc/78/46/98/837784698.db2.gz GYTIUTNHYZRTLP-LAUBAEHRSA-N 1 3 388.531 3.546 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C4CCCC4)CC3)CC2)CC1 ZINC000654841317 834649861 /nfs/dbraw/zinc/64/98/61/834649861.db2.gz ZKSIDAVFNACJQE-UHFFFAOYSA-N 1 3 375.601 3.612 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000118773846 834680074 /nfs/dbraw/zinc/68/00/74/834680074.db2.gz UEICMJXJIRBHOF-HDICACEKSA-N 1 3 385.552 3.982 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000118773846 834680077 /nfs/dbraw/zinc/68/00/77/834680077.db2.gz UEICMJXJIRBHOF-HDICACEKSA-N 1 3 385.552 3.982 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OCCC(C)C ZINC000650723372 834701583 /nfs/dbraw/zinc/70/15/83/834701583.db2.gz MUWAMHWYFARQPM-TUNNFDKTSA-N 1 3 390.568 3.981 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000141127624 834761683 /nfs/dbraw/zinc/76/16/83/834761683.db2.gz GKBRUMWULCAFMS-WMZHIEFXSA-N 1 3 394.563 3.773 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000141127624 834761686 /nfs/dbraw/zinc/76/16/86/834761686.db2.gz GKBRUMWULCAFMS-WMZHIEFXSA-N 1 3 394.563 3.773 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)N(C)C)cc1 ZINC000500816071 844031359 /nfs/dbraw/zinc/03/13/59/844031359.db2.gz WFNYCRQNNYBJSB-JOCHJYFZSA-N 1 3 388.600 3.615 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C3CCC3)C3CCCC3)CC2)CC1 ZINC000655158170 835310021 /nfs/dbraw/zinc/31/00/21/835310021.db2.gz QSXSXZZHELLZJK-JOCHJYFZSA-N 1 3 375.601 3.658 20 0 GHADHO C[C@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000584468044 836035192 /nfs/dbraw/zinc/03/51/92/836035192.db2.gz VQWRLPKQROEKJA-SIKLNZKXSA-N 1 3 379.548 3.836 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000500863838 844167437 /nfs/dbraw/zinc/16/74/37/844167437.db2.gz HDXJYCLONBPQNW-MOPGFXCFSA-N 1 3 380.602 3.695 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000500863838 844167448 /nfs/dbraw/zinc/16/74/48/844167448.db2.gz HDXJYCLONBPQNW-MOPGFXCFSA-N 1 3 380.602 3.695 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000511401431 837038375 /nfs/dbraw/zinc/03/83/75/837038375.db2.gz ZURGVLZJETWFKK-QIJUGHKUSA-N 1 3 394.003 3.813 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000511401431 837038386 /nfs/dbraw/zinc/03/83/86/837038386.db2.gz ZURGVLZJETWFKK-QIJUGHKUSA-N 1 3 394.003 3.813 20 0 GHADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCCO2 ZINC000414313579 837052222 /nfs/dbraw/zinc/05/22/22/837052222.db2.gz YQRSAUSZGQHBTD-QFIPXVFZSA-N 1 3 380.532 3.825 20 0 GHADHO CCOc1ccc([C@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414320504 837106406 /nfs/dbraw/zinc/10/64/06/837106406.db2.gz CDIVNAXZFDPTMC-SFHVURJKSA-N 1 3 395.547 3.633 20 0 GHADHO CN1CCN(c2cc(CN[C@H]3CCc4cc(Cl)cc(Cl)c43)ccn2)CC1 ZINC000134321216 837259815 /nfs/dbraw/zinc/25/98/15/837259815.db2.gz UTGZGAGPBKDDGN-SFHVURJKSA-N 1 3 391.346 3.917 20 0 GHADHO CN1CCN(c2cc(C[NH2+][C@H]3CCc4cc(Cl)cc(Cl)c43)ccn2)CC1 ZINC000134321216 837259822 /nfs/dbraw/zinc/25/98/22/837259822.db2.gz UTGZGAGPBKDDGN-SFHVURJKSA-N 1 3 391.346 3.917 20 0 GHADHO C[NH+]1CCN(c2cc(CN[C@H]3CCc4cc(Cl)cc(Cl)c43)ccn2)CC1 ZINC000134321216 837259832 /nfs/dbraw/zinc/25/98/32/837259832.db2.gz UTGZGAGPBKDDGN-SFHVURJKSA-N 1 3 391.346 3.917 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000659032911 837319354 /nfs/dbraw/zinc/31/93/54/837319354.db2.gz SVVOOVKHBXOCRP-QFIPXVFZSA-N 1 3 396.535 3.511 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000163774463 837879993 /nfs/dbraw/zinc/87/99/93/837879993.db2.gz KXUWTCYDCKOAHL-QGZVFWFLSA-N 1 3 389.565 3.751 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000415913334 838269457 /nfs/dbraw/zinc/26/94/57/838269457.db2.gz AUJNAONCVUVWCZ-UHFFFAOYSA-N 1 3 398.473 3.723 20 0 GHADHO CN(C)[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)c1ccccc1 ZINC000415969899 838339028 /nfs/dbraw/zinc/33/90/28/838339028.db2.gz KQNBBFXWWYSXAJ-QGZVFWFLSA-N 1 3 380.414 3.589 20 0 GHADHO CC(C)N1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000236601822 838349653 /nfs/dbraw/zinc/34/96/53/838349653.db2.gz UKXRLYGMCIXCNT-UHFFFAOYSA-N 1 3 383.330 3.573 20 0 GHADHO CC(C)[N@H+](C)CC1CCN([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405470 838691948 /nfs/dbraw/zinc/69/19/48/838691948.db2.gz SPHZRSZJQYKFCX-LAUBAEHRSA-N 1 3 375.532 3.540 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405470 838691950 /nfs/dbraw/zinc/69/19/50/838691950.db2.gz SPHZRSZJQYKFCX-LAUBAEHRSA-N 1 3 375.532 3.540 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000473501174 844391810 /nfs/dbraw/zinc/39/18/10/844391810.db2.gz BEMDKWHJDSMAIZ-VWLOTQADSA-N 1 3 391.559 3.877 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000473501174 844391814 /nfs/dbraw/zinc/39/18/14/844391814.db2.gz BEMDKWHJDSMAIZ-VWLOTQADSA-N 1 3 391.559 3.877 20 0 GHADHO CCCCCOc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415117230 839229411 /nfs/dbraw/zinc/22/94/11/839229411.db2.gz BZMDHRKWRNGECZ-RBBKRZOGSA-N 1 3 390.568 3.983 20 0 GHADHO CCCOc1c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cccc1OCC ZINC000415126577 839233434 /nfs/dbraw/zinc/23/34/34/839233434.db2.gz PQLXUWWSWVYRMM-CTNGQTDRSA-N 1 3 376.541 3.592 20 0 GHADHO COc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OCCC(C)C ZINC000415134339 839249755 /nfs/dbraw/zinc/24/97/55/839249755.db2.gz WAJHDPOEKPWJBS-NZQKXSOJSA-N 1 3 390.568 3.838 20 0 GHADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000471579819 839593022 /nfs/dbraw/zinc/59/30/22/839593022.db2.gz CHZVWPFWCJNQSB-WOJBJXKFSA-N 1 3 399.579 3.799 20 0 GHADHO Cc1ccc(-c2ncc(CN(C)CCN(C)C3CC[NH+](C)CC3)s2)cc1C ZINC000656262597 839914679 /nfs/dbraw/zinc/91/46/79/839914679.db2.gz WZHYXNDSYXOSLI-UHFFFAOYSA-N 1 3 386.609 3.885 20 0 GHADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000580705301 840029147 /nfs/dbraw/zinc/02/91/47/840029147.db2.gz SPQAEGHUUKLJTP-REWPJTCUSA-N 1 3 394.559 3.842 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ccsc1 ZINC000417005966 840361852 /nfs/dbraw/zinc/36/18/52/840361852.db2.gz JFVWLYGQIOSZJH-OALUTQOASA-N 1 3 392.613 3.551 20 0 GHADHO CC[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417009077 840364376 /nfs/dbraw/zinc/36/43/76/840364376.db2.gz JWURGYAMEXBNBF-DHIUTWEWSA-N 1 3 394.563 3.603 20 0 GHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001167442907 840604472 /nfs/dbraw/zinc/60/44/72/840604472.db2.gz JLDKBRZNJSQTAL-FGZHOGPDSA-N 1 3 379.633 3.852 20 0 GHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001167442907 840604480 /nfs/dbraw/zinc/60/44/80/840604480.db2.gz JLDKBRZNJSQTAL-FGZHOGPDSA-N 1 3 379.633 3.852 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)N2CCCC2)cc1 ZINC000417352868 840758772 /nfs/dbraw/zinc/75/87/72/840758772.db2.gz HKNARFATIJDVDQ-FCHUYYIVSA-N 1 3 398.595 3.552 20 0 GHADHO COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000194859276 840881325 /nfs/dbraw/zinc/88/13/25/840881325.db2.gz BHGAJTQKPWJELK-HSZRJFAPSA-N 1 3 379.548 3.610 20 0 GHADHO C[N@H+](CCOc1cccc(CNCc2cccc3c2CCC3)c1)C1CCOCC1 ZINC000651699371 841393670 /nfs/dbraw/zinc/39/36/70/841393670.db2.gz RPWYQWCYUDDWOK-UHFFFAOYSA-N 1 3 394.559 3.955 20 0 GHADHO C[N@@H+](CCOc1cccc(CNCc2cccc3c2CCC3)c1)C1CCOCC1 ZINC000651699371 841393685 /nfs/dbraw/zinc/39/36/85/841393685.db2.gz RPWYQWCYUDDWOK-UHFFFAOYSA-N 1 3 394.559 3.955 20 0 GHADHO C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000500100380 841435249 /nfs/dbraw/zinc/43/52/49/841435249.db2.gz SSESUWBXSJCRFZ-LJQANCHMSA-N 1 3 399.510 3.617 20 0 GHADHO Cc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)ccc1OCC[NH+](C)C ZINC000652434042 842527396 /nfs/dbraw/zinc/52/73/96/842527396.db2.gz OOBXFIUOGKBNIU-HOTGVXAUSA-N 1 3 388.430 3.622 20 0 GHADHO CCc1ncnc2c1CCN(C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168044045 861329749 /nfs/dbraw/zinc/32/97/49/861329749.db2.gz CXUYOSJLBVEKGT-OALUTQOASA-N 1 3 378.564 3.881 20 0 GHADHO C[NH+]1CCC(N2CCC(Nc3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000050954588 842859598 /nfs/dbraw/zinc/85/95/98/842859598.db2.gz SRXBDHPITJCTSY-UHFFFAOYSA-N 1 3 376.854 3.724 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3NCc4ccccc43)cc2)CC1 ZINC000662374163 843174289 /nfs/dbraw/zinc/17/42/89/843174289.db2.gz IKZOBVNUVJBSRR-QHCPKHFHSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cccc4c3CNC4)cc2)C1 ZINC000662386440 843182973 /nfs/dbraw/zinc/18/29/73/843182973.db2.gz IQXFSKSBSODJGV-HDICACEKSA-N 1 3 377.532 3.698 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cccc4c3CNC4)cc2)C1 ZINC000662386440 843182984 /nfs/dbraw/zinc/18/29/84/843182984.db2.gz IQXFSKSBSODJGV-HDICACEKSA-N 1 3 377.532 3.698 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662503883 843349956 /nfs/dbraw/zinc/34/99/56/843349956.db2.gz XPQNUIUKCAKXGS-YFNKSVMNSA-N 1 3 389.543 3.734 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503883 843349978 /nfs/dbraw/zinc/34/99/78/843349978.db2.gz XPQNUIUKCAKXGS-YFNKSVMNSA-N 1 3 389.543 3.734 20 0 GHADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662501935 843354101 /nfs/dbraw/zinc/35/41/01/843354101.db2.gz HMZANAYPQDJVKY-JZWVFAODSA-N 1 3 377.532 3.905 20 0 GHADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662501935 843354112 /nfs/dbraw/zinc/35/41/12/843354112.db2.gz HMZANAYPQDJVKY-JZWVFAODSA-N 1 3 377.532 3.905 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000302947306 861419817 /nfs/dbraw/zinc/41/98/17/861419817.db2.gz CBJIZBIWERWWLH-HSZRJFAPSA-N 1 3 394.563 3.515 20 0 GHADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182341906 843529353 /nfs/dbraw/zinc/52/93/53/843529353.db2.gz VVNSHAXJVRPLBI-WPYKKVEZSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182341906 843529372 /nfs/dbraw/zinc/52/93/72/843529372.db2.gz VVNSHAXJVRPLBI-WPYKKVEZSA-N 1 3 398.595 3.776 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512397636 843655761 /nfs/dbraw/zinc/65/57/61/843655761.db2.gz GXDZCFNAILBWLD-UNMCSNQZSA-N 1 3 388.600 3.516 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512397636 843655767 /nfs/dbraw/zinc/65/57/67/843655767.db2.gz GXDZCFNAILBWLD-UNMCSNQZSA-N 1 3 388.600 3.516 20 0 GHADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC(C)(C)CC(C)(C)C1 ZINC000663876678 844723697 /nfs/dbraw/zinc/72/36/97/844723697.db2.gz KMPAMAJLYLKTPX-UHFFFAOYSA-N 1 3 392.632 3.791 20 0 GHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CCCc1ccccc1 ZINC000052802880 844833500 /nfs/dbraw/zinc/83/35/00/844833500.db2.gz KDHONFCXHKIXNK-NRFANRHFSA-N 1 3 393.575 3.720 20 0 GHADHO CC(C)CN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000509924177 845098244 /nfs/dbraw/zinc/09/82/44/845098244.db2.gz LAGDJATWEOOXIT-FQEVSTJZSA-N 1 3 389.559 3.617 20 0 GHADHO C[C@H](C[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O)CN1CCCCC1 ZINC000472150357 846209714 /nfs/dbraw/zinc/20/97/14/846209714.db2.gz BOJNRVQIFFMBAA-RTBURBONSA-N 1 3 385.552 3.553 20 0 GHADHO COc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc2ccccc21 ZINC000414526598 846306439 /nfs/dbraw/zinc/30/64/39/846306439.db2.gz PLCZUWZGHXTAGJ-UHFFFAOYSA-N 1 3 390.527 3.965 20 0 GHADHO c1ccc(CCN2CC[C@H](C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)C2)cc1 ZINC000657354143 846473195 /nfs/dbraw/zinc/47/31/95/846473195.db2.gz QSOZGJPCCATUKL-VWNXMTODSA-N 1 3 380.532 3.509 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000502838331 846533201 /nfs/dbraw/zinc/53/32/01/846533201.db2.gz DAHBWOLNBJZVRP-MOPGFXCFSA-N 1 3 392.613 3.839 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000502838331 846533209 /nfs/dbraw/zinc/53/32/09/846533209.db2.gz DAHBWOLNBJZVRP-MOPGFXCFSA-N 1 3 392.613 3.839 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)CC1 ZINC000501038923 846584918 /nfs/dbraw/zinc/58/49/18/846584918.db2.gz ZLZIEAUNBLAKCC-NRFANRHFSA-N 1 3 379.564 3.625 20 0 GHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000501078573 846620810 /nfs/dbraw/zinc/62/08/10/846620810.db2.gz KKITZXGDOJFMOV-OAQYLSRUSA-N 1 3 398.938 3.689 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1ccccc1 ZINC000502966208 846671154 /nfs/dbraw/zinc/67/11/54/846671154.db2.gz GRWVCVQQNGUAST-VQTJNVASSA-N 1 3 396.579 3.936 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000503112634 846823245 /nfs/dbraw/zinc/82/32/45/846823245.db2.gz RSDYZJOYYGLJCJ-KNQAVFIVSA-N 1 3 394.563 3.690 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000582368848 846969914 /nfs/dbraw/zinc/96/99/14/846969914.db2.gz SRSSWEPWPPCAFT-RTWAWAEBSA-N 1 3 377.617 3.904 20 0 GHADHO COc1ccc([C@H](C[NH3+])CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000420296908 847098855 /nfs/dbraw/zinc/09/88/55/847098855.db2.gz CONSBVWZHQXGIS-LJQANCHMSA-N 1 3 396.510 3.831 20 0 GHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501751814 847156620 /nfs/dbraw/zinc/15/66/20/847156620.db2.gz MLCVMSJORIUFRL-LJQANCHMSA-N 1 3 399.501 3.860 20 0 GHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501751814 847156627 /nfs/dbraw/zinc/15/66/27/847156627.db2.gz MLCVMSJORIUFRL-LJQANCHMSA-N 1 3 399.501 3.860 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422725807 847798619 /nfs/dbraw/zinc/79/86/19/847798619.db2.gz CJXURRWFDISMEL-CVEARBPZSA-N 1 3 389.503 3.908 20 0 GHADHO COc1ccc(C)cc1C1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CCOCC1 ZINC000422899117 847878006 /nfs/dbraw/zinc/87/80/06/847878006.db2.gz NUQIJCKSEFFDIJ-QGZVFWFLSA-N 1 3 383.536 3.565 20 0 GHADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2nc(-c3ccccc3)cs2)CC[NH2+]CC1 ZINC000422957561 847916049 /nfs/dbraw/zinc/91/60/49/847916049.db2.gz NKSRGFHPXLVVSI-HOTGVXAUSA-N 1 3 387.549 3.782 20 0 GHADHO FC(F)(F)c1ccccc1OCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422961061 847916460 /nfs/dbraw/zinc/91/64/60/847916460.db2.gz YJQBGIYDNLGBKB-PXNSSMCTSA-N 1 3 392.421 3.930 20 0 GHADHO FC(F)(F)c1ccccc1OCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422961063 847917031 /nfs/dbraw/zinc/91/70/31/847917031.db2.gz YJQBGIYDNLGBKB-YLJYHZDGSA-N 1 3 392.421 3.930 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423046749 847942241 /nfs/dbraw/zinc/94/22/41/847942241.db2.gz FQRHCDPUWVSWCG-ORAYPTAESA-N 1 3 380.458 3.821 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423082065 847970699 /nfs/dbraw/zinc/97/06/99/847970699.db2.gz DUDZLLFWHAKVCC-QSFXBCCZSA-N 1 3 388.353 3.576 20 0 GHADHO CCOc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1OCC ZINC000657613091 848327803 /nfs/dbraw/zinc/32/78/03/848327803.db2.gz VXDHAJUIVJVXOE-UHFFFAOYSA-N 1 3 383.536 3.881 20 0 GHADHO C[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCCC2 ZINC000647291028 849844798 /nfs/dbraw/zinc/84/47/98/849844798.db2.gz CACIZBJZFMJBIK-FQEVSTJZSA-N 1 3 396.579 3.941 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423388952 849896809 /nfs/dbraw/zinc/89/68/09/849896809.db2.gz UPBGRVMVYDSMAB-WZRBSPASSA-N 1 3 377.838 3.806 20 0 GHADHO Cc1ccc([C@H](NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c2cccs2)cc1 ZINC000424283123 850353456 /nfs/dbraw/zinc/35/34/56/850353456.db2.gz ATBSEQCYPZVLRD-GCJKJVERSA-N 1 3 397.588 3.726 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](F)C1 ZINC001167965327 850490987 /nfs/dbraw/zinc/49/09/87/850490987.db2.gz BERDOKSGGZMCFZ-BGVWBIDGSA-N 1 3 395.563 3.577 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](F)C1 ZINC001167965327 850490991 /nfs/dbraw/zinc/49/09/91/850490991.db2.gz BERDOKSGGZMCFZ-BGVWBIDGSA-N 1 3 395.563 3.577 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000414804440 850604033 /nfs/dbraw/zinc/60/40/33/850604033.db2.gz DYQYQJXWLDOADS-LBPRGKRZSA-N 1 3 377.282 3.530 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)N(C)C)cc1 ZINC000514013193 851118050 /nfs/dbraw/zinc/11/80/50/851118050.db2.gz KZMWQHPQALYSKA-HSZRJFAPSA-N 1 3 394.563 3.693 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)N2CCCC2)cc1 ZINC000514049038 851171685 /nfs/dbraw/zinc/17/16/85/851171685.db2.gz IRTWULOKNSZRRX-QFIPXVFZSA-N 1 3 386.584 3.552 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167969868 851448550 /nfs/dbraw/zinc/44/85/50/851448550.db2.gz GYKZMGZBPBGNJU-FVJUQLFYSA-N 1 3 389.584 3.912 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)C[C@@H](C)O1 ZINC000180633549 862260058 /nfs/dbraw/zinc/26/00/58/862260058.db2.gz XZXDSYRSCXYIJI-WOJBJXKFSA-N 1 3 396.579 3.798 20 0 GHADHO C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001167973399 851658482 /nfs/dbraw/zinc/65/84/82/851658482.db2.gz JHZLIVNQJUBHAN-PANBIXPWSA-N 1 3 377.573 3.769 20 0 GHADHO C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001167973399 851658486 /nfs/dbraw/zinc/65/84/86/851658486.db2.gz JHZLIVNQJUBHAN-PANBIXPWSA-N 1 3 377.573 3.769 20 0 GHADHO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000488998550 851916359 /nfs/dbraw/zinc/91/63/59/851916359.db2.gz XJWDYZPBGXJWPQ-RTBURBONSA-N 1 3 383.580 3.651 20 0 GHADHO O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1)c1ccccc1 ZINC001167979250 851936115 /nfs/dbraw/zinc/93/61/15/851936115.db2.gz YGYSZSHIUYSVQA-CKSHBVQHSA-N 1 3 381.564 3.723 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000517427466 851949173 /nfs/dbraw/zinc/94/91/73/851949173.db2.gz ZLCYUYRGAGPSSJ-GOTSBHOMSA-N 1 3 398.595 3.792 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000517540599 852070146 /nfs/dbraw/zinc/07/01/46/852070146.db2.gz GCORIIQIDXETMG-REWPJTCUSA-N 1 3 394.563 3.595 20 0 GHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000516347784 852452527 /nfs/dbraw/zinc/45/25/27/852452527.db2.gz HLDMDYBGEBRHTA-UHFFFAOYSA-N 1 3 377.479 3.683 20 0 GHADHO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000518435887 853345240 /nfs/dbraw/zinc/34/52/40/853345240.db2.gz QAXXJEJUQYGSJF-FQEVSTJZSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766046126 862466748 /nfs/dbraw/zinc/46/67/48/862466748.db2.gz WVDMFQYYVJOTDA-BBRMVZONSA-N 1 3 376.513 3.700 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000437780560 853502750 /nfs/dbraw/zinc/50/27/50/853502750.db2.gz VSFZRUAFAXSMBU-FKBYEOEOSA-N 1 3 384.568 3.528 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000437780560 853502751 /nfs/dbraw/zinc/50/27/51/853502751.db2.gz VSFZRUAFAXSMBU-FKBYEOEOSA-N 1 3 384.568 3.528 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415957747 853635117 /nfs/dbraw/zinc/63/51/17/853635117.db2.gz VHHZBCGDQJSRFM-CQSZACIVSA-N 1 3 394.441 3.806 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)N2CCCC2)cc1 ZINC000520298848 854058302 /nfs/dbraw/zinc/05/83/02/854058302.db2.gz QRWPDZJRGUZJCQ-HSZRJFAPSA-N 1 3 398.595 3.792 20 0 GHADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000441325185 854110680 /nfs/dbraw/zinc/11/06/80/854110680.db2.gz BSWZBPAICFVDMT-KRWDZBQOSA-N 1 3 382.346 3.584 20 0 GHADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000441325185 854110684 /nfs/dbraw/zinc/11/06/84/854110684.db2.gz BSWZBPAICFVDMT-KRWDZBQOSA-N 1 3 382.346 3.584 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCCc4ccccc43)c2)C1 ZINC000112545887 854246609 /nfs/dbraw/zinc/24/66/09/854246609.db2.gz SVDOESGYGHAXSL-JTHBVZDNSA-N 1 3 377.532 3.551 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCCc4ccccc43)c2)C1 ZINC000112545887 854246616 /nfs/dbraw/zinc/24/66/16/854246616.db2.gz SVDOESGYGHAXSL-JTHBVZDNSA-N 1 3 377.532 3.551 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995008 854429701 /nfs/dbraw/zinc/42/97/01/854429701.db2.gz TTYZGNBHCUTXPA-WRURNZQNSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995008 854429711 /nfs/dbraw/zinc/42/97/11/854429711.db2.gz TTYZGNBHCUTXPA-WRURNZQNSA-N 1 3 377.573 3.771 20 0 GHADHO NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994316 854436841 /nfs/dbraw/zinc/43/68/41/854436841.db2.gz BNMQJNUKVILPEZ-IEMWQLIPSA-N 1 3 381.564 3.515 20 0 GHADHO NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994316 854436846 /nfs/dbraw/zinc/43/68/46/854436846.db2.gz BNMQJNUKVILPEZ-IEMWQLIPSA-N 1 3 381.564 3.515 20 0 GHADHO COc1ccc([C@@H]2C[C@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)CCO2)cc1 ZINC001168615901 855009217 /nfs/dbraw/zinc/00/92/17/855009217.db2.gz PPPVVCDEAJBSLR-VWNXMTODSA-N 1 3 395.547 3.812 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cn3ccc(Br)cc3n2)C1 ZINC000520462936 855026579 /nfs/dbraw/zinc/02/65/79/855026579.db2.gz IIGFCWNWLZUELZ-HOTGVXAUSA-N 1 3 393.373 3.945 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)c1ccsc1 ZINC000520621594 855829805 /nfs/dbraw/zinc/82/98/05/855829805.db2.gz MMFILZYDYYHPCS-RBUKOAKNSA-N 1 3 380.602 3.551 20 0 GHADHO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2c(c1)CNC2 ZINC000573204250 855928194 /nfs/dbraw/zinc/92/81/94/855928194.db2.gz QJOVYTGOLJXPDF-UHFFFAOYSA-N 1 3 391.437 3.513 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccc2)CC1 ZINC000057854838 856238768 /nfs/dbraw/zinc/23/87/68/856238768.db2.gz YVWHDPPVNUZTQZ-DHIUTWEWSA-N 1 3 398.595 3.729 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2OCc2cccnc2)C[C@@H](C)O1 ZINC000067452711 856266654 /nfs/dbraw/zinc/26/66/54/856266654.db2.gz QUVXDZGLBBZIGD-WOJBJXKFSA-N 1 3 383.536 3.640 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000520765448 856384238 /nfs/dbraw/zinc/38/42/38/856384238.db2.gz XUUAKQMTJGKZPF-KRWDZBQOSA-N 1 3 378.520 3.986 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000520765448 856384249 /nfs/dbraw/zinc/38/42/49/856384249.db2.gz XUUAKQMTJGKZPF-KRWDZBQOSA-N 1 3 378.520 3.986 20 0 GHADHO Cc1nn(C)c(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000921819842 856553989 /nfs/dbraw/zinc/55/39/89/856553989.db2.gz QVWRHYQCPMVEQW-UHFFFAOYSA-N 1 3 390.959 3.543 20 0 GHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(C(=O)OC(C)(C)C)CCOCC3)CC2)C1 ZINC000592395735 856804308 /nfs/dbraw/zinc/80/43/08/856804308.db2.gz YUOOWXYDPXVDMZ-ICSRJNTNSA-N 1 3 394.600 3.758 20 0 GHADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000674046922 862859021 /nfs/dbraw/zinc/85/90/21/862859021.db2.gz DPJBEOVDDVLGGJ-OAHLLOKOSA-N 1 3 375.340 3.539 20 0 GHADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000674046922 862859041 /nfs/dbraw/zinc/85/90/41/862859041.db2.gz DPJBEOVDDVLGGJ-OAHLLOKOSA-N 1 3 375.340 3.539 20 0 GHADHO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cc(F)cc(Br)c1 ZINC000181500552 862903227 /nfs/dbraw/zinc/90/32/27/862903227.db2.gz XESGCUXLZKHAJG-RDTXWAMCSA-N 1 3 386.353 3.655 20 0 GHADHO C[NH+](C)CCCOc1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC000593503143 857614700 /nfs/dbraw/zinc/61/47/00/857614700.db2.gz YEFVSAKKBPYSRQ-UHFFFAOYSA-N 1 3 390.572 3.603 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000064228603 857687519 /nfs/dbraw/zinc/68/75/19/857687519.db2.gz SRXXEVFPWSFVNB-QFIPXVFZSA-N 1 3 382.552 3.549 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000064228603 857687524 /nfs/dbraw/zinc/68/75/24/857687524.db2.gz SRXXEVFPWSFVNB-QFIPXVFZSA-N 1 3 382.552 3.549 20 0 GHADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CNCc2ccccc21 ZINC000521231455 857772400 /nfs/dbraw/zinc/77/24/00/857772400.db2.gz MJNXBAPZFGSKLC-QHCPKHFHSA-N 1 3 377.532 3.566 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442709371 858066904 /nfs/dbraw/zinc/06/69/04/858066904.db2.gz ADRIMXPXTHYDBL-AZUAARDMSA-N 1 3 383.502 3.959 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1(C)C ZINC000442871005 858187950 /nfs/dbraw/zinc/18/79/50/858187950.db2.gz FBOHAHHUAVHGBR-SFHVURJKSA-N 1 3 394.401 3.787 20 0 GHADHO C[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000443107824 858365347 /nfs/dbraw/zinc/36/53/47/858365347.db2.gz ZMCDHNUUPZRTTC-XMSQKQJNSA-N 1 3 387.568 3.601 20 0 GHADHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(Nc2ccncc2)cc1 ZINC000605424331 863022480 /nfs/dbraw/zinc/02/24/80/863022480.db2.gz PJIQQDUSJFVDHP-HSZRJFAPSA-N 1 3 386.499 3.814 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)c1ccco1 ZINC000575085421 858577923 /nfs/dbraw/zinc/57/79/23/858577923.db2.gz MFYAJPJHUKNVPK-QAPCUYQASA-N 1 3 383.492 3.947 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)cc1 ZINC000474082467 858840289 /nfs/dbraw/zinc/84/02/89/858840289.db2.gz OTEGPBWJDSDYHM-UBFVSLLYSA-N 1 3 399.623 3.769 20 0 GHADHO COc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)c1OC ZINC000922972843 858910063 /nfs/dbraw/zinc/91/00/63/858910063.db2.gz RFFAFHMVKFIPBL-UHFFFAOYSA-N 1 3 397.563 3.832 20 0 GHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765976300 858982798 /nfs/dbraw/zinc/98/27/98/858982798.db2.gz MQMLLPKWFYDUBP-DNVCBOLYSA-N 1 3 386.565 3.808 20 0 GHADHO COc1ccc(C[C@@H](CO)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168022595 859025752 /nfs/dbraw/zinc/02/57/52/859025752.db2.gz TYOCDVCWUFNAII-YDLSIGKMSA-N 1 3 382.548 3.630 20 0 GHADHO COc1ccc(C[C@@H](CO)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168022595 859025763 /nfs/dbraw/zinc/02/57/63/859025763.db2.gz TYOCDVCWUFNAII-YDLSIGKMSA-N 1 3 382.548 3.630 20 0 GHADHO O[C@@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)COCc1cccs1 ZINC000380759476 859279344 /nfs/dbraw/zinc/27/93/44/859279344.db2.gz XGRGCITWHWMRFN-RTWAWAEBSA-N 1 3 388.577 3.518 20 0 GHADHO O[C@@H](CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759476 859279356 /nfs/dbraw/zinc/27/93/56/859279356.db2.gz XGRGCITWHWMRFN-RTWAWAEBSA-N 1 3 388.577 3.518 20 0 GHADHO O[C@@H](CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759476 859279368 /nfs/dbraw/zinc/27/93/68/859279368.db2.gz XGRGCITWHWMRFN-RTWAWAEBSA-N 1 3 388.577 3.518 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCC3CCOCC3)C2)ccn1 ZINC000856561357 881445224 /nfs/dbraw/zinc/44/52/24/881445224.db2.gz URFHQSASMZZCNP-JOCHJYFZSA-N 1 3 375.557 3.582 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCC3CCOCC3)C2)ccn1 ZINC000856561357 881445228 /nfs/dbraw/zinc/44/52/28/881445228.db2.gz URFHQSASMZZCNP-JOCHJYFZSA-N 1 3 375.557 3.582 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc(N(C)C)nc3ccccc23)[C@@H](C)C1 ZINC000483851006 859650316 /nfs/dbraw/zinc/65/03/16/859650316.db2.gz QCKQWVCBQBGDGV-RXVVDRJESA-N 1 3 384.568 3.527 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCc2cc(N(C)C)nc3ccccc23)[C@@H](C)C1 ZINC000483851006 859650324 /nfs/dbraw/zinc/65/03/24/859650324.db2.gz QCKQWVCBQBGDGV-RXVVDRJESA-N 1 3 384.568 3.527 20 0 GHADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c2cccs2)CC1 ZINC000489798632 860756285 /nfs/dbraw/zinc/75/62/85/860756285.db2.gz RIVDLBRNLXYTGI-GUDVDZBRSA-N 1 3 392.613 3.693 20 0 GHADHO C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000600053094 860849397 /nfs/dbraw/zinc/84/93/97/860849397.db2.gz QFSNVYNTBIQMGL-NRFANRHFSA-N 1 3 397.607 3.807 20 0 GHADHO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000498580861 860995898 /nfs/dbraw/zinc/99/58/98/860995898.db2.gz PVVZLFBVCRYKAR-AVRDEDQJSA-N 1 3 386.584 3.774 20 0 GHADHO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000498580864 860996062 /nfs/dbraw/zinc/99/60/62/860996062.db2.gz PVVZLFBVCRYKAR-XMSQKQJNSA-N 1 3 386.584 3.774 20 0 GHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000481328978 861077906 /nfs/dbraw/zinc/07/79/06/861077906.db2.gz WFEZYCDKAJHBEH-OALUTQOASA-N 1 3 378.520 3.906 20 0 GHADHO Cc1ccsc1[C@H](Cc1ccccc1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482550238 863295740 /nfs/dbraw/zinc/29/57/40/863295740.db2.gz FAYFEJXAZXTYGC-UXHICEINSA-N 1 3 385.577 3.517 20 0 GHADHO Cc1ccsc1[C@H](Cc1ccccc1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482550238 863295751 /nfs/dbraw/zinc/29/57/51/863295751.db2.gz FAYFEJXAZXTYGC-UXHICEINSA-N 1 3 385.577 3.517 20 0 GHADHO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c2)C1 ZINC000856717993 881683224 /nfs/dbraw/zinc/68/32/24/881683224.db2.gz LYPGURPFCXMEHE-PKTZIBPZSA-N 1 3 377.532 3.500 20 0 GHADHO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c2)C1 ZINC000856717993 881683241 /nfs/dbraw/zinc/68/32/41/881683241.db2.gz LYPGURPFCXMEHE-PKTZIBPZSA-N 1 3 377.532 3.500 20 0 GHADHO Cc1ccc(Cl)c(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000120739784 881701255 /nfs/dbraw/zinc/70/12/55/881701255.db2.gz GFLPXTDEKYEAFN-UHFFFAOYSA-N 1 3 378.948 3.720 20 0 GHADHO CN1CCN(c2ncccc2C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000158475049 863844488 /nfs/dbraw/zinc/84/44/88/863844488.db2.gz NGEURWQORFOCGV-SFHVURJKSA-N 1 3 388.968 3.814 20 0 GHADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000158581762 863880470 /nfs/dbraw/zinc/88/04/70/863880470.db2.gz XFANGCDJWXMKIY-ZACQAIPSSA-N 1 3 384.561 3.638 20 0 GHADHO C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)c1cc2ccccc2s1 ZINC000475155331 864318183 /nfs/dbraw/zinc/31/81/83/864318183.db2.gz IQRLDPZAHOGXMR-VQIMIIECSA-N 1 3 381.545 3.971 20 0 GHADHO CCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475171950 864394751 /nfs/dbraw/zinc/39/47/51/864394751.db2.gz GFYGJWGXFVARMJ-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480346288 864531613 /nfs/dbraw/zinc/53/16/13/864531613.db2.gz YLQGJVLCFFFIBB-MRXNPFEDSA-N 1 3 377.479 3.588 20 0 GHADHO Cc1ncsc1-c1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000667683146 864771839 /nfs/dbraw/zinc/77/18/39/864771839.db2.gz GLRMYDVCZRZXJP-UWJYYQICSA-N 1 3 384.593 3.576 20 0 GHADHO Fc1cccc(F)c1N1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000167473022 864781340 /nfs/dbraw/zinc/78/13/40/864781340.db2.gz UJUCOEAQSWUZIJ-FQEVSTJZSA-N 1 3 385.502 3.840 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3ccc4ccccc4c3)CC2)CC1 ZINC000607896707 864851124 /nfs/dbraw/zinc/85/11/24/864851124.db2.gz PWNVSOIBRQGGNI-UHFFFAOYSA-N 1 3 393.575 3.792 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000554843581 865002922 /nfs/dbraw/zinc/00/29/22/865002922.db2.gz MBOXFWSUIZPOPY-FQEVSTJZSA-N 1 3 387.474 3.794 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4OC)cc2)CC1 ZINC000480716078 865155785 /nfs/dbraw/zinc/15/57/85/865155785.db2.gz WRXWKZFCUARNLG-QHCPKHFHSA-N 1 3 379.548 3.610 20 0 GHADHO c1cn2c(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)c(-c3ccccc3)nc2s1 ZINC000736365120 865189654 /nfs/dbraw/zinc/18/96/54/865189654.db2.gz UNXBDNPCUGLJFN-KRWDZBQOSA-N 1 3 396.560 3.653 20 0 GHADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555009441 865305457 /nfs/dbraw/zinc/30/54/57/865305457.db2.gz QNHDVCQJQDMOFY-HSZRJFAPSA-N 1 3 377.532 3.677 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608475203 865348967 /nfs/dbraw/zinc/34/89/67/865348967.db2.gz ORWVGOGXAAKOML-IBGZPJMESA-N 1 3 391.515 3.841 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608475203 865348983 /nfs/dbraw/zinc/34/89/83/865348983.db2.gz ORWVGOGXAAKOML-IBGZPJMESA-N 1 3 391.515 3.841 20 0 GHADHO CC[NH+]1CCC(CCNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000608685900 865592106 /nfs/dbraw/zinc/59/21/06/865592106.db2.gz ZAZKZXVEGOCBSD-JOCHJYFZSA-N 1 3 386.584 3.635 20 0 GHADHO CN(C)c1cc[nH+]cc1CNc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000185217809 865764686 /nfs/dbraw/zinc/76/46/86/865764686.db2.gz XGLNTKFKBGJGRA-UHFFFAOYSA-N 1 3 395.551 3.964 20 0 GHADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000567642486 865987944 /nfs/dbraw/zinc/98/79/44/865987944.db2.gz JBLAUOWBXSUWJW-UGKGYDQZSA-N 1 3 399.922 3.823 20 0 GHADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000152337554 866530849 /nfs/dbraw/zinc/53/08/49/866530849.db2.gz PAURRHFQDGHYLR-NZSAHSFTSA-N 1 3 399.501 3.791 20 0 GHADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000152337554 866530857 /nfs/dbraw/zinc/53/08/57/866530857.db2.gz PAURRHFQDGHYLR-NZSAHSFTSA-N 1 3 399.501 3.791 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179108251 866589750 /nfs/dbraw/zinc/58/97/50/866589750.db2.gz AWKHDVQUMBBXMW-LJQANCHMSA-N 1 3 386.971 3.984 20 0 GHADHO CN1CC[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000534612073 867138556 /nfs/dbraw/zinc/13/85/56/867138556.db2.gz SBYBGFWYAYOZNY-ZRBLBEILSA-N 1 3 392.547 3.568 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314467 867153999 /nfs/dbraw/zinc/15/39/99/867153999.db2.gz MHSUJSQPJNONTC-CTNGQTDRSA-N 1 3 385.577 3.769 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314467 867154016 /nfs/dbraw/zinc/15/40/16/867154016.db2.gz MHSUJSQPJNONTC-CTNGQTDRSA-N 1 3 385.577 3.769 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](Cc2cccc(OC)c2)c2ccccc2)CC1 ZINC000154245740 867319506 /nfs/dbraw/zinc/31/95/06/867319506.db2.gz ATOBVXBNGCPOEA-DEOSSOPVSA-N 1 3 381.564 3.596 20 0 GHADHO C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@H](c1ccccc1)N(C)C ZINC000857182790 882095501 /nfs/dbraw/zinc/09/55/01/882095501.db2.gz OWDAXMHAKCNUEG-CDNPAEQRSA-N 1 3 379.548 3.917 20 0 GHADHO C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@H](c1ccccc1)N(C)C ZINC000857182790 882095522 /nfs/dbraw/zinc/09/55/22/882095522.db2.gz OWDAXMHAKCNUEG-CDNPAEQRSA-N 1 3 379.548 3.917 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155111581 867755983 /nfs/dbraw/zinc/75/59/83/867755983.db2.gz QNVYKIKSIYZIBF-DENIHFKCSA-N 1 3 385.552 3.919 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155111581 867755994 /nfs/dbraw/zinc/75/59/94/867755994.db2.gz QNVYKIKSIYZIBF-DENIHFKCSA-N 1 3 385.552 3.919 20 0 GHADHO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000479451739 867781627 /nfs/dbraw/zinc/78/16/27/867781627.db2.gz XUZBOFGZGQZTCS-XLIONFOSSA-N 1 3 381.520 3.826 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484612 867852632 /nfs/dbraw/zinc/85/26/32/867852632.db2.gz IASLIJISBAYHIP-DENIHFKCSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484612 867852648 /nfs/dbraw/zinc/85/26/48/867852648.db2.gz IASLIJISBAYHIP-DENIHFKCSA-N 1 3 397.950 3.814 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000535018505 867940015 /nfs/dbraw/zinc/94/00/15/867940015.db2.gz KWLWPDVIRBOTOF-CVDCTZTESA-N 1 3 398.595 3.776 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000155648181 868002359 /nfs/dbraw/zinc/00/23/59/868002359.db2.gz VPXTXXUDODDETO-GJZGRUSLSA-N 1 3 378.611 3.857 20 0 GHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000156937501 868507188 /nfs/dbraw/zinc/50/71/88/868507188.db2.gz VSPNSWCSFBDMOW-UGKGYDQZSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000156937501 868507196 /nfs/dbraw/zinc/50/71/96/868507196.db2.gz VSPNSWCSFBDMOW-UGKGYDQZSA-N 1 3 379.548 3.852 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1Cl ZINC000553964506 868509518 /nfs/dbraw/zinc/50/95/18/868509518.db2.gz HMZRUZPQEJHNAS-SFTDATJTSA-N 1 3 385.939 3.554 20 0 GHADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000479875447 868641893 /nfs/dbraw/zinc/64/18/93/868641893.db2.gz QQFBTRHRZZHVGY-PMOQBDJRSA-N 1 3 381.564 3.798 20 0 GHADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000479875447 868641900 /nfs/dbraw/zinc/64/19/00/868641900.db2.gz QQFBTRHRZZHVGY-PMOQBDJRSA-N 1 3 381.564 3.798 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880670 868650908 /nfs/dbraw/zinc/65/09/08/868650908.db2.gz GOLOMQDUGSOPSH-PXDATVDWSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000479880670 868650910 /nfs/dbraw/zinc/65/09/10/868650910.db2.gz GOLOMQDUGSOPSH-PXDATVDWSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000479880670 868650912 /nfs/dbraw/zinc/65/09/12/868650912.db2.gz GOLOMQDUGSOPSH-PXDATVDWSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000487519909 869338422 /nfs/dbraw/zinc/33/84/22/869338422.db2.gz RXNNPPHWJNUSMR-GCJKJVERSA-N 1 3 380.536 3.780 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000487519909 869338428 /nfs/dbraw/zinc/33/84/28/869338428.db2.gz RXNNPPHWJNUSMR-GCJKJVERSA-N 1 3 380.536 3.780 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C[C@@H]1C ZINC000524880081 869726218 /nfs/dbraw/zinc/72/62/18/869726218.db2.gz LDWOVKBDIWCIAQ-JTAQYXEDSA-N 1 3 385.596 3.661 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C[C@@H]1C ZINC000524880081 869726222 /nfs/dbraw/zinc/72/62/22/869726222.db2.gz LDWOVKBDIWCIAQ-JTAQYXEDSA-N 1 3 385.596 3.661 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446573297 870025257 /nfs/dbraw/zinc/02/52/57/870025257.db2.gz VYSTXARERKEUHQ-GHTZIAJQSA-N 1 3 380.536 3.748 20 0 GHADHO CCCN1CCN(c2ccccc2CNc2cc(C[NH+](C)C)ccc2OC)CC1 ZINC000539932423 870028872 /nfs/dbraw/zinc/02/88/72/870028872.db2.gz UFWJTTGLHDWMMA-UHFFFAOYSA-N 1 3 396.579 3.901 20 0 GHADHO CCc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247991140 870258001 /nfs/dbraw/zinc/25/80/01/870258001.db2.gz JJPFGFMHUDTVPZ-FDDCHVKYSA-N 1 3 379.548 3.797 20 0 GHADHO CCc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247991140 870258013 /nfs/dbraw/zinc/25/80/13/870258013.db2.gz JJPFGFMHUDTVPZ-FDDCHVKYSA-N 1 3 379.548 3.797 20 0 GHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](C)C2(CCC2)C1 ZINC000540044257 870296535 /nfs/dbraw/zinc/29/65/35/870296535.db2.gz RWZIEJRHSDHKRH-PMACEKPBSA-N 1 3 383.580 3.668 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000248177368 870310526 /nfs/dbraw/zinc/31/05/26/870310526.db2.gz VWCIURBQYSHPCK-GGAORHGYSA-N 1 3 395.547 3.633 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000248177368 870310546 /nfs/dbraw/zinc/31/05/46/870310546.db2.gz VWCIURBQYSHPCK-GGAORHGYSA-N 1 3 395.547 3.633 20 0 GHADHO C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397849 870371137 /nfs/dbraw/zinc/37/11/37/870371137.db2.gz IHBAADILYYUOOS-IEIRFRATSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397849 870371155 /nfs/dbraw/zinc/37/11/55/870371155.db2.gz IHBAADILYYUOOS-IEIRFRATSA-N 1 3 398.595 3.776 20 0 GHADHO Cn1c(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)nc2c1cccc2F ZINC000248413935 870393463 /nfs/dbraw/zinc/39/34/63/870393463.db2.gz LYQCELIHFPJCQK-SFHLNBCPSA-N 1 3 392.522 3.755 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000248461873 870437977 /nfs/dbraw/zinc/43/79/77/870437977.db2.gz XVZRHXXRCYOVFR-UTKZUKDTSA-N 1 3 384.520 3.511 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000248461873 870437987 /nfs/dbraw/zinc/43/79/87/870437987.db2.gz XVZRHXXRCYOVFR-UTKZUKDTSA-N 1 3 384.520 3.511 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccc(C(C)C)cc4C3)CC2)CC1 ZINC000617608318 870515570 /nfs/dbraw/zinc/51/55/70/870515570.db2.gz RKIGCEQOGSIUDD-UHFFFAOYSA-N 1 3 397.607 3.891 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@](C)(CO)Cc2ccccc2)CC1 ZINC000449279893 871287027 /nfs/dbraw/zinc/28/70/27/871287027.db2.gz UIZHXHOWHOMRBM-PXDATVDWSA-N 1 3 380.576 3.913 20 0 GHADHO CN(C)[C@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccccc1 ZINC000540466630 871331007 /nfs/dbraw/zinc/33/10/07/871331007.db2.gz MCLUDCTWMVDBES-FGZHOGPDSA-N 1 3 379.548 3.867 20 0 GHADHO C[C@H]1C[C@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000539164763 871427247 /nfs/dbraw/zinc/42/72/47/871427247.db2.gz YSLIBAMJVAACFF-PKOBYXMFSA-N 1 3 399.501 3.765 20 0 GHADHO CCN(CC)C(=O)C[C@@H](C)N1CCC([NH3+])(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001169453161 871515057 /nfs/dbraw/zinc/51/50/57/871515057.db2.gz WEHLMJHLNFCHOL-MRXNPFEDSA-N 1 3 399.501 3.688 20 0 GHADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001169683633 871751497 /nfs/dbraw/zinc/75/14/97/871751497.db2.gz BHUZTXWCZUMBDS-KRWDZBQOSA-N 1 3 381.524 3.765 20 0 GHADHO C[C@H](C(=O)N(C)C1CCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821541 871849650 /nfs/dbraw/zinc/84/96/50/871849650.db2.gz WXRATFZFUIOGIV-LJQANCHMSA-N 1 3 386.584 3.800 20 0 GHADHO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821430 871850148 /nfs/dbraw/zinc/85/01/48/871850148.db2.gz XCBPVSNURWXLTQ-VAMGGRTRSA-N 1 3 386.584 3.798 20 0 GHADHO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093337015 872093141 /nfs/dbraw/zinc/09/31/41/872093141.db2.gz VHXGBLGVAFMQRY-UGKGYDQZSA-N 1 3 396.531 3.581 20 0 GHADHO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093337015 872093159 /nfs/dbraw/zinc/09/31/59/872093159.db2.gz VHXGBLGVAFMQRY-UGKGYDQZSA-N 1 3 396.531 3.581 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000477924777 872154522 /nfs/dbraw/zinc/15/45/22/872154522.db2.gz GYPFBOLQCPXCIE-NRJQMVOHSA-N 1 3 380.523 3.749 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC(C)(C)C[NH+]1CCCC1 ZINC000477926004 872155251 /nfs/dbraw/zinc/15/52/51/872155251.db2.gz KNKRHFJOTCSBTQ-QGZVFWFLSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477926004 872155259 /nfs/dbraw/zinc/15/52/59/872155259.db2.gz KNKRHFJOTCSBTQ-QGZVFWFLSA-N 1 3 379.976 3.789 20 0 GHADHO CN(CCCN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1)Cc1ccco1 ZINC000552753196 873130610 /nfs/dbraw/zinc/13/06/10/873130610.db2.gz UXXWPZNEABRCSO-UHFFFAOYSA-N 1 3 383.536 3.860 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2)c1ccc2c(c1)CCCC2 ZINC001196788427 873361498 /nfs/dbraw/zinc/36/14/98/873361498.db2.gz AMTVZVYBAOJUPW-PMACEKPBSA-N 1 3 397.607 3.939 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000527660168 873411041 /nfs/dbraw/zinc/41/10/41/873411041.db2.gz DCYPVMZJIYGBKZ-DNVCBOLYSA-N 1 3 388.474 3.941 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000527660165 873411307 /nfs/dbraw/zinc/41/13/07/873411307.db2.gz DCYPVMZJIYGBKZ-BEFAXECRSA-N 1 3 388.474 3.941 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000527660173 873412725 /nfs/dbraw/zinc/41/27/25/873412725.db2.gz DCYPVMZJIYGBKZ-KXBFYZLASA-N 1 3 388.474 3.941 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)N(C)C)cc1 ZINC000448468848 873427301 /nfs/dbraw/zinc/42/73/01/873427301.db2.gz WPEOXLUIMVXDRF-PMVMPFDFSA-N 1 3 398.595 3.510 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)N(C)C)cc1 ZINC000448468848 873427306 /nfs/dbraw/zinc/42/73/06/873427306.db2.gz WPEOXLUIMVXDRF-PMVMPFDFSA-N 1 3 398.595 3.510 20 0 GHADHO c1ccc(CN2C[C@H](C[NH2+]C3Cc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882002 882763596 /nfs/dbraw/zinc/76/35/96/882763596.db2.gz HBKJVHJAHGVVFC-QHCPKHFHSA-N 1 3 376.544 3.672 20 0 GHADHO Fc1ccc([C@H](NCC2CC[NH+](Cc3cccs3)CC2)c2c[nH]nn2)cc1 ZINC000550885753 882768895 /nfs/dbraw/zinc/76/88/95/882768895.db2.gz JGDUJHAKNILIJF-FQEVSTJZSA-N 1 3 385.512 3.597 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464563555 874082771 /nfs/dbraw/zinc/08/27/71/874082771.db2.gz MCGYZBOPGXOZGP-NFBKMPQASA-N 1 3 385.596 3.520 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464563555 874082793 /nfs/dbraw/zinc/08/27/93/874082793.db2.gz MCGYZBOPGXOZGP-NFBKMPQASA-N 1 3 385.596 3.520 20 0 GHADHO COCCC[NH+]1CCC(N[C@@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449112532 874522038 /nfs/dbraw/zinc/52/20/38/874522038.db2.gz RJESLUWAFVFDHJ-AWEZNQCLSA-N 1 3 375.340 3.851 20 0 GHADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNCCC[N@H+](C)Cc1ccccc1 ZINC001199038635 874769671 /nfs/dbraw/zinc/76/96/71/874769671.db2.gz UOPDITWRAGVTAS-UHFFFAOYSA-N 1 3 396.487 3.840 20 0 GHADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNCCC[N@@H+](C)Cc1ccccc1 ZINC001199038635 874769680 /nfs/dbraw/zinc/76/96/80/874769680.db2.gz UOPDITWRAGVTAS-UHFFFAOYSA-N 1 3 396.487 3.840 20 0 GHADHO Cn1ccnc1[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449778340 875381729 /nfs/dbraw/zinc/38/17/29/875381729.db2.gz BKLZNUGGZAPXCN-OALUTQOASA-N 1 3 376.589 3.909 20 0 GHADHO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000491590554 875847743 /nfs/dbraw/zinc/84/77/43/875847743.db2.gz AXTDTVJRJGLCLG-LJQANCHMSA-N 1 3 392.547 3.894 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC000192777789 883016225 /nfs/dbraw/zinc/01/62/25/883016225.db2.gz UUEQGVONFSTMSH-HXUWFJFHSA-N 1 3 394.003 3.847 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC000192777789 883016247 /nfs/dbraw/zinc/01/62/47/883016247.db2.gz UUEQGVONFSTMSH-HXUWFJFHSA-N 1 3 394.003 3.847 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850574697 877039867 /nfs/dbraw/zinc/03/98/67/877039867.db2.gz IKQXYBSJHRFTSW-UGKGYDQZSA-N 1 3 392.547 3.607 20 0 GHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000477223801 877238474 /nfs/dbraw/zinc/23/84/74/877238474.db2.gz RMZUFJNFOMZIGH-FQEVSTJZSA-N 1 3 388.600 3.660 20 0 GHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000477223801 877238488 /nfs/dbraw/zinc/23/84/88/877238488.db2.gz RMZUFJNFOMZIGH-FQEVSTJZSA-N 1 3 388.600 3.660 20 0 GHADHO CCOc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1OCC(C)C ZINC000530248570 877332245 /nfs/dbraw/zinc/33/22/45/877332245.db2.gz MSMLGLZJLRKUKK-NRFANRHFSA-N 1 3 390.568 3.711 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCCC[NH+]2CCCCC2)c2cccs2)CC1 ZINC000642635888 912235644 /nfs/dbraw/zinc/23/56/44/912235644.db2.gz KSAXXAJNUPWEIV-LJQANCHMSA-N 1 3 392.613 3.696 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000175565682 877775570 /nfs/dbraw/zinc/77/55/70/877775570.db2.gz JWQAJBVSWNTWPK-UHFFFAOYSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000285405947 912279005 /nfs/dbraw/zinc/27/90/05/912279005.db2.gz ZSICOOMITBUAAF-UHFFFAOYSA-N 1 3 396.535 3.543 20 0 GHADHO COc1cc(NCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(OC)c1 ZINC000245670613 878334375 /nfs/dbraw/zinc/33/43/75/878334375.db2.gz HIDPNEOKRNFIFG-MMVMTREESA-N 1 3 395.547 3.901 20 0 GHADHO COc1cc(NCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(OC)c1 ZINC000245670613 878334392 /nfs/dbraw/zinc/33/43/92/878334392.db2.gz HIDPNEOKRNFIFG-MMVMTREESA-N 1 3 395.547 3.901 20 0 GHADHO O=C(Nc1cc(Cl)ccc1[O-])C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000852744795 878574514 /nfs/dbraw/zinc/57/45/14/878574514.db2.gz JEMSYOZXDHQEIH-UHFFFAOYSA-N 1 3 399.922 3.542 20 0 GHADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000530902331 878717280 /nfs/dbraw/zinc/71/72/80/878717280.db2.gz FSYMOKGPBSVAPR-QHCPKHFHSA-N 1 3 382.548 3.900 20 0 GHADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000530902331 878717296 /nfs/dbraw/zinc/71/72/96/878717296.db2.gz FSYMOKGPBSVAPR-QHCPKHFHSA-N 1 3 382.548 3.900 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001183282658 912396564 /nfs/dbraw/zinc/39/65/64/912396564.db2.gz WEPFNOUEKDTGOD-UYAOXDASSA-N 1 3 389.584 3.895 20 0 GHADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853241663 878927286 /nfs/dbraw/zinc/92/72/86/878927286.db2.gz WTOFIUOEWDWBPK-RLLQIKCJSA-N 1 3 379.589 3.734 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000247006934 879880934 /nfs/dbraw/zinc/88/09/34/879880934.db2.gz LXNMDFJQESTDGB-CVEARBPZSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000247006934 879880949 /nfs/dbraw/zinc/88/09/49/879880949.db2.gz LXNMDFJQESTDGB-CVEARBPZSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000247006934 879880967 /nfs/dbraw/zinc/88/09/67/879880967.db2.gz LXNMDFJQESTDGB-CVEARBPZSA-N 1 3 396.373 3.876 20 0 GHADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000494068283 879890598 /nfs/dbraw/zinc/89/05/98/879890598.db2.gz GEQSHQDBQDQTCF-RDPSFJRHSA-N 1 3 391.559 3.678 20 0 GHADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183152736 880062991 /nfs/dbraw/zinc/06/29/91/880062991.db2.gz OWJPOCCFZWJGNQ-BHIFYINESA-N 1 3 395.547 3.598 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(c2c(C)cnc3c(C)cccc32)CC1 ZINC000185273010 880526583 /nfs/dbraw/zinc/52/65/83/880526583.db2.gz IRHRXGNKUZCCMN-UHFFFAOYSA-N 1 3 396.579 3.916 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000531955930 880817641 /nfs/dbraw/zinc/81/76/41/880817641.db2.gz OICYKJLLLSNRSE-CQSZACIVSA-N 1 3 383.458 3.887 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@H](C)C1 ZINC000187243683 881119984 /nfs/dbraw/zinc/11/99/84/881119984.db2.gz QPUGPRFJFBCRBU-AUSIDOKSSA-N 1 3 397.563 3.984 20 0 GHADHO c1ccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc4c(c2)OCCO4)CC3)cc1 ZINC000537623090 881188517 /nfs/dbraw/zinc/18/85/17/881188517.db2.gz VANGYSQGGWFDGN-UHFFFAOYSA-N 1 3 378.516 3.946 20 0 GHADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc4c(c2)OCCO4)CC3)cc1 ZINC000537623090 881188520 /nfs/dbraw/zinc/18/85/20/881188520.db2.gz VANGYSQGGWFDGN-UHFFFAOYSA-N 1 3 378.516 3.946 20 0 GHADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000119911167 881213084 /nfs/dbraw/zinc/21/30/84/881213084.db2.gz LUKNWKQFAKYEJW-OAHLLOKOSA-N 1 3 390.881 3.795 20 0 GHADHO C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CCN1Cc1ccccc1 ZINC000465448015 884055363 /nfs/dbraw/zinc/05/53/63/884055363.db2.gz KOWFEOXZJJZGRL-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177091 884381708 /nfs/dbraw/zinc/38/17/08/884381708.db2.gz LRUPSGJSAGCIDW-RBDMOPTHSA-N 1 3 376.972 3.951 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177091 884381742 /nfs/dbraw/zinc/38/17/42/884381742.db2.gz LRUPSGJSAGCIDW-RBDMOPTHSA-N 1 3 376.972 3.951 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177089 884382300 /nfs/dbraw/zinc/38/23/00/884382300.db2.gz LRUPSGJSAGCIDW-NQSCKRDGSA-N 1 3 376.972 3.951 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177089 884382315 /nfs/dbraw/zinc/38/23/15/884382315.db2.gz LRUPSGJSAGCIDW-NQSCKRDGSA-N 1 3 376.972 3.951 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001130757378 885041914 /nfs/dbraw/zinc/04/19/14/885041914.db2.gz CPSARZIFHXEOLP-RUENVJTFSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001130757378 885041919 /nfs/dbraw/zinc/04/19/19/885041919.db2.gz CPSARZIFHXEOLP-RUENVJTFSA-N 1 3 396.453 3.877 20 0 GHADHO CC[C@H](C)Oc1nccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170526208 885488167 /nfs/dbraw/zinc/48/81/67/885488167.db2.gz RFOBEHOWKLGSGB-KRWDZBQOSA-N 1 3 393.535 3.563 20 0 GHADHO Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000655768650 885532202 /nfs/dbraw/zinc/53/22/02/885532202.db2.gz LDNQGLRDKBZJIU-FQEVSTJZSA-N 1 3 378.495 3.932 20 0 GHADHO COCOc1ccc(C)cc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170527792 885564098 /nfs/dbraw/zinc/56/40/98/885564098.db2.gz CJGLLFZUFWQEBG-UHFFFAOYSA-N 1 3 393.531 3.887 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cc4[nH]cnc4c(F)c3)c3ccccc23)CC1 ZINC001170529198 885608843 /nfs/dbraw/zinc/60/88/43/885608843.db2.gz YSFBZBAVTIYQLC-UHFFFAOYSA-N 1 3 377.467 3.612 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCCCC[N@H+](C)C2CC2)c2cccs2)CC1 ZINC000454160371 886340974 /nfs/dbraw/zinc/34/09/74/886340974.db2.gz VOXJIXMICNGJAH-IBGZPJMESA-N 1 3 392.613 3.695 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)c2cccs2)CC1 ZINC000454160371 886340983 /nfs/dbraw/zinc/34/09/83/886340983.db2.gz VOXJIXMICNGJAH-IBGZPJMESA-N 1 3 392.613 3.695 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccsc1 ZINC000193841987 887785204 /nfs/dbraw/zinc/78/52/04/887785204.db2.gz CDSPKPNUKLCIEE-SFHVURJKSA-N 1 3 380.602 3.693 20 0 GHADHO c1ccc(CN2CCC[C@H](N(CC[NH+]3CCCC3)Cc3ccncc3)C2)cc1 ZINC000794801468 888070998 /nfs/dbraw/zinc/07/09/98/888070998.db2.gz AYUWMYBCTBOSDK-DEOSSOPVSA-N 1 3 378.564 3.644 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717918 888794351 /nfs/dbraw/zinc/79/43/51/888794351.db2.gz GDKLKOLJPPAQSU-AUSIDOKSSA-N 1 3 389.559 3.616 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717918 888794360 /nfs/dbraw/zinc/79/43/60/888794360.db2.gz GDKLKOLJPPAQSU-AUSIDOKSSA-N 1 3 389.559 3.616 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000454594029 889347949 /nfs/dbraw/zinc/34/79/49/889347949.db2.gz AGLIJAQCSLIHRS-HXUWFJFHSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000123923512 889446769 /nfs/dbraw/zinc/44/67/69/889446769.db2.gz FEVSJGJZPFZWNP-CEXWTWQISA-N 1 3 387.568 3.576 20 0 GHADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000644584087 913381318 /nfs/dbraw/zinc/38/13/18/913381318.db2.gz CYZUUENRVJKPRB-MRXNPFEDSA-N 1 3 387.351 3.730 20 0 GHADHO CC(C)[NH+]1CCC(N[C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872046859 891130621 /nfs/dbraw/zinc/13/06/21/891130621.db2.gz NGJGMQMMTOGKAZ-QFBILLFUSA-N 1 3 381.358 3.989 20 0 GHADHO C[N@@H+]1CCC[C@@H](CN[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325420 891488018 /nfs/dbraw/zinc/48/80/18/891488018.db2.gz DKZFTTYBZIFYRK-AZUAARDMSA-N 1 3 375.557 3.964 20 0 GHADHO C[N@H+]1CCC[C@@H](CN[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325420 891488023 /nfs/dbraw/zinc/48/80/23/891488023.db2.gz DKZFTTYBZIFYRK-AZUAARDMSA-N 1 3 375.557 3.964 20 0 GHADHO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(-n4cc(CN)nn4)c3)oc21 ZINC000873244073 891545927 /nfs/dbraw/zinc/54/59/27/891545927.db2.gz PVYONWQXWMPZHB-OAHLLOKOSA-N 1 3 391.475 3.722 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000497430861 891565206 /nfs/dbraw/zinc/56/52/06/891565206.db2.gz BMBUESLAEIQHIF-CEWLAPEOSA-N 1 3 398.551 3.673 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000497430861 891565221 /nfs/dbraw/zinc/56/52/21/891565221.db2.gz BMBUESLAEIQHIF-CEWLAPEOSA-N 1 3 398.551 3.673 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)c1cccc(CN(C)C)c1)c1cccc(OC)c1 ZINC000128630456 892214472 /nfs/dbraw/zinc/21/44/72/892214472.db2.gz UXWKRHCZYZVFSB-JOCHJYFZSA-N 1 3 383.536 3.570 20 0 GHADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(CN(C)C)c1 ZINC000128632952 892217536 /nfs/dbraw/zinc/21/75/36/892217536.db2.gz FDSOACMSXMDIRA-UHFFFAOYSA-N 1 3 393.535 3.692 20 0 GHADHO CC(C)Oc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c1 ZINC000666833381 892355947 /nfs/dbraw/zinc/35/59/47/892355947.db2.gz BWCWPURFZHVOAG-HNNXBMFYSA-N 1 3 384.952 3.521 20 0 GHADHO CC(C)Oc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c1 ZINC000666833381 892355965 /nfs/dbraw/zinc/35/59/65/892355965.db2.gz BWCWPURFZHVOAG-HNNXBMFYSA-N 1 3 384.952 3.521 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547046 892464533 /nfs/dbraw/zinc/46/45/33/892464533.db2.gz SXPPYUPAFQAQLV-PMACEKPBSA-N 1 3 392.613 3.695 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547046 892464537 /nfs/dbraw/zinc/46/45/37/892464537.db2.gz SXPPYUPAFQAQLV-PMACEKPBSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508712609 892828951 /nfs/dbraw/zinc/82/89/51/892828951.db2.gz DEYJIBQJRHNVMG-XLIONFOSSA-N 1 3 385.939 3.570 20 0 GHADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696174 893330588 /nfs/dbraw/zinc/33/05/88/893330588.db2.gz HYQXEFSXUWHHMQ-BJKOFHAPSA-N 1 3 398.639 3.785 20 0 GHADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696174 893330603 /nfs/dbraw/zinc/33/06/03/893330603.db2.gz HYQXEFSXUWHHMQ-BJKOFHAPSA-N 1 3 398.639 3.785 20 0 GHADHO Cc1nc2scc(C3CC3)n2c1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000459395610 893452802 /nfs/dbraw/zinc/45/28/02/893452802.db2.gz UKSZFSFRNOVGEI-UHFFFAOYSA-N 1 3 384.549 3.812 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000536697009 893565168 /nfs/dbraw/zinc/56/51/68/893565168.db2.gz ITGACQKTOSGDFS-UHFFFAOYSA-N 1 3 384.568 3.751 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000536697009 893565186 /nfs/dbraw/zinc/56/51/86/893565186.db2.gz ITGACQKTOSGDFS-UHFFFAOYSA-N 1 3 384.568 3.751 20 0 GHADHO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](N)CC(F)F ZINC000498213369 893613537 /nfs/dbraw/zinc/61/35/37/893613537.db2.gz YAOLRXVYMMQHMN-OAHLLOKOSA-N 1 3 396.309 3.646 20 0 GHADHO CCOc1ccc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000536708874 893615303 /nfs/dbraw/zinc/61/53/03/893615303.db2.gz ZHOHDNOILXELKT-RTBURBONSA-N 1 3 390.568 3.805 20 0 GHADHO CCOc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000536708874 893615320 /nfs/dbraw/zinc/61/53/20/893615320.db2.gz ZHOHDNOILXELKT-RTBURBONSA-N 1 3 390.568 3.805 20 0 GHADHO ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000877551555 893683670 /nfs/dbraw/zinc/68/36/70/893683670.db2.gz FUSDWSDFWJMRBK-ROUUACIJSA-N 1 3 383.363 3.699 20 0 GHADHO ClC1(Cl)C[C@H]1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551555 893683682 /nfs/dbraw/zinc/68/36/82/893683682.db2.gz FUSDWSDFWJMRBK-ROUUACIJSA-N 1 3 383.363 3.699 20 0 GHADHO ClC1(Cl)C[C@H]1CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551555 893683694 /nfs/dbraw/zinc/68/36/94/893683694.db2.gz FUSDWSDFWJMRBK-ROUUACIJSA-N 1 3 383.363 3.699 20 0 GHADHO C[N@@H+]1CCC[C@@H](CCNCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000459743998 894166862 /nfs/dbraw/zinc/16/68/62/894166862.db2.gz XKUGFDXEQWOIRA-AWEZNQCLSA-N 1 3 377.330 3.661 20 0 GHADHO C[N@H+]1CCC[C@@H](CCNCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000459743998 894166872 /nfs/dbraw/zinc/16/68/72/894166872.db2.gz XKUGFDXEQWOIRA-AWEZNQCLSA-N 1 3 377.330 3.661 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC2)CC1 ZINC000878427483 894281705 /nfs/dbraw/zinc/28/17/05/894281705.db2.gz MCOQHEYVOGRRHG-GOTSBHOMSA-N 1 3 385.596 3.646 20 0 GHADHO CN1CC[C@@H](C[NH2+]C2CCN(CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537094514 894332994 /nfs/dbraw/zinc/33/29/94/894332994.db2.gz JLAKTVGYRHPTTK-LAUBAEHRSA-N 1 3 379.951 3.936 20 0 GHADHO COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000564988664 895338767 /nfs/dbraw/zinc/33/87/67/895338767.db2.gz MWLWDAOLYLEMSD-JTAQYXEDSA-N 1 3 393.531 3.697 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1CN1CCCCC1 ZINC000817585239 895754804 /nfs/dbraw/zinc/75/48/04/895754804.db2.gz DGCAVNDOFNWMII-GUDVDZBRSA-N 1 3 387.568 3.623 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000565676744 895801022 /nfs/dbraw/zinc/80/10/22/895801022.db2.gz DPEUSPIGVNWGCJ-MAUKXSAKSA-N 1 3 389.531 3.725 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275666 896561568 /nfs/dbraw/zinc/56/15/68/896561568.db2.gz ZWIJBODQUHFYCP-XLIONFOSSA-N 1 3 394.437 3.730 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275666 896561580 /nfs/dbraw/zinc/56/15/80/896561580.db2.gz ZWIJBODQUHFYCP-XLIONFOSSA-N 1 3 394.437 3.730 20 0 GHADHO Brc1ccc(-c2cnc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)cc1 ZINC000567739591 897371162 /nfs/dbraw/zinc/37/11/62/897371162.db2.gz XLGYABRMGIEOHM-GASCZTMLSA-N 1 3 376.298 3.536 20 0 GHADHO C[C@@H](N[C@H](Cn1ccnc1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000883386392 897548483 /nfs/dbraw/zinc/54/84/83/897548483.db2.gz FLQJLGKLBPLXDF-AUSIDOKSSA-N 1 3 378.520 3.916 20 0 GHADHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000568499366 897892522 /nfs/dbraw/zinc/89/25/22/897892522.db2.gz MMYWBNPAWOGIHL-YCRNBWNJSA-N 1 3 380.488 3.754 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000101516616 897940613 /nfs/dbraw/zinc/94/06/13/897940613.db2.gz ALZQFIKDNDUFCF-UHFFFAOYSA-N 1 3 383.561 3.858 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)CC[C@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000568980505 898256401 /nfs/dbraw/zinc/25/64/01/898256401.db2.gz ZHSQMLNYIRHHJK-NRFANRHFSA-N 1 3 380.536 3.556 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000569028892 898285632 /nfs/dbraw/zinc/28/56/32/898285632.db2.gz NAKDEUVCXVVLSY-RXVVDRJESA-N 1 3 389.609 3.782 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000569028892 898285640 /nfs/dbraw/zinc/28/56/40/898285640.db2.gz NAKDEUVCXVVLSY-RXVVDRJESA-N 1 3 389.609 3.782 20 0 GHADHO CC[C@@H](C)N(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000117041347 899346714 /nfs/dbraw/zinc/34/67/14/899346714.db2.gz OJRLHTAVGKPHER-LJQANCHMSA-N 1 3 386.584 3.555 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(C3CCOCC3)CC2)CC1 ZINC000572906857 900305251 /nfs/dbraw/zinc/30/52/51/900305251.db2.gz OVOOKYKFWDJYDU-UHFFFAOYSA-N 1 3 385.596 3.857 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](c4ccccc4)CC3(C)C)CC2)CC1 ZINC000885233477 900434066 /nfs/dbraw/zinc/43/40/66/900434066.db2.gz DVEWMKSXFFVVFF-JOCHJYFZSA-N 1 3 397.607 3.977 20 0 GHADHO COc1cccc(CC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1OC ZINC000573421977 900508415 /nfs/dbraw/zinc/50/84/15/900508415.db2.gz NWWMKIBCKFVGNZ-HXUWFJFHSA-N 1 3 396.531 3.824 20 0 GHADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)cc2)CC1 ZINC000844336530 900710198 /nfs/dbraw/zinc/71/01/98/900710198.db2.gz XTMHSIBCMXDXPM-MSOLQXFVSA-N 1 3 399.457 3.515 20 0 GHADHO C[N@H+]1CCCN(c2ccc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)cc2)CC1 ZINC000844336530 900710210 /nfs/dbraw/zinc/71/02/10/900710210.db2.gz XTMHSIBCMXDXPM-MSOLQXFVSA-N 1 3 399.457 3.515 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000574034054 900753559 /nfs/dbraw/zinc/75/35/59/900753559.db2.gz XDEOYTAVSXWJDW-WOIUINJBSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000574034054 900753570 /nfs/dbraw/zinc/75/35/70/900753570.db2.gz XDEOYTAVSXWJDW-WOIUINJBSA-N 1 3 388.577 3.777 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001171128962 900927613 /nfs/dbraw/zinc/92/76/13/900927613.db2.gz ZZHCZHDTRWGMMO-HSZRJFAPSA-N 1 3 379.548 3.923 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001171128962 900927618 /nfs/dbraw/zinc/92/76/18/900927618.db2.gz ZZHCZHDTRWGMMO-HSZRJFAPSA-N 1 3 379.548 3.923 20 0 GHADHO CN(c1ccccc1CNCc1ccccc1-n1ccnc1)C1CC[NH+](C)CC1 ZINC000123121952 901901407 /nfs/dbraw/zinc/90/14/07/901901407.db2.gz YDQLUQKJMIIQDQ-UHFFFAOYSA-N 1 3 389.547 3.693 20 0 GHADHO COc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1Cn1cccn1 ZINC000123694646 901966168 /nfs/dbraw/zinc/96/61/68/901966168.db2.gz UXAZFFBLFNYXAI-GOSISDBHSA-N 1 3 378.520 3.852 20 0 GHADHO Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000576703106 902203322 /nfs/dbraw/zinc/20/33/22/902203322.db2.gz APZVXDKBWVGYFZ-ZWOKBUDYSA-N 1 3 378.944 3.719 20 0 GHADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460244 902230555 /nfs/dbraw/zinc/23/05/55/902230555.db2.gz CPEQHDDLFSVWKK-SFTDATJTSA-N 1 3 389.971 3.781 20 0 GHADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460244 902230566 /nfs/dbraw/zinc/23/05/66/902230566.db2.gz CPEQHDDLFSVWKK-SFTDATJTSA-N 1 3 389.971 3.781 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCC2 ZINC000846063451 902678603 /nfs/dbraw/zinc/67/86/03/902678603.db2.gz HNHDDBVAZCHTRH-MOPGFXCFSA-N 1 3 377.573 3.819 20 0 GHADHO C[C@H](C(=O)N1CCC(CC[NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000601044863 903263341 /nfs/dbraw/zinc/26/33/41/903263341.db2.gz XAIBFFJOSINZTC-HXUWFJFHSA-N 1 3 385.596 3.520 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2Cl)[C@@H]1c1cccs1 ZINC000578127562 903543648 /nfs/dbraw/zinc/54/36/48/903543648.db2.gz DITUJXJYIODGPA-JXXFODFXSA-N 1 3 394.968 3.814 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2Cl)[C@@H]1c1cccs1 ZINC000578127562 903543658 /nfs/dbraw/zinc/54/36/58/903543658.db2.gz DITUJXJYIODGPA-JXXFODFXSA-N 1 3 394.968 3.814 20 0 GHADHO Cc1ccc(C)c([C@H]2CCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000134732529 903563089 /nfs/dbraw/zinc/56/30/89/903563089.db2.gz WNWNLVHECPXYMO-HSZRJFAPSA-N 1 3 398.595 3.709 20 0 GHADHO COc1ccc([C@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000265108908 903636140 /nfs/dbraw/zinc/63/61/40/903636140.db2.gz AVWGUONVWOOAKH-OALUTQOASA-N 1 3 395.547 3.515 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C3CC3)[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000578245796 903648513 /nfs/dbraw/zinc/64/85/13/903648513.db2.gz YQLYWMUHUJFHES-XMMPIXPASA-N 1 3 395.591 3.861 20 0 GHADHO COCCOCc1ccc(CNC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000578311021 903722500 /nfs/dbraw/zinc/72/25/00/903722500.db2.gz QPMSMTHYSWJEEQ-UHFFFAOYSA-N 1 3 382.548 3.912 20 0 GHADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000578985692 904278487 /nfs/dbraw/zinc/27/84/87/904278487.db2.gz UEICZSWOOZLTLX-WMZOPIPTSA-N 1 3 399.501 3.621 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](N2CCC([NH+]3CCC3)CC2)C[C@@H]1C(C)(C)C ZINC001171614403 904878653 /nfs/dbraw/zinc/87/86/53/904878653.db2.gz BBQVZONMVAIUSZ-RBUKOAKNSA-N 1 3 379.589 3.971 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)CC1(C)C ZINC001171641987 904932279 /nfs/dbraw/zinc/93/22/79/904932279.db2.gz YLARTZGKTVMHDD-UHFFFAOYSA-N 1 3 375.532 3.671 20 0 GHADHO C[NH+]1C(C)(C)CC(N2CCC(NC(=O)c3cccc(F)c3)CC2)CC1(C)C ZINC001171641987 904932285 /nfs/dbraw/zinc/93/22/85/904932285.db2.gz YLARTZGKTVMHDD-UHFFFAOYSA-N 1 3 375.532 3.671 20 0 GHADHO COc1cccc(C[C@@H](CO)N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984613 905239876 /nfs/dbraw/zinc/23/98/76/905239876.db2.gz WKMGNUZKUGFLLG-YADHBBJMSA-N 1 3 382.548 3.631 20 0 GHADHO COc1cccc(C[C@@H](CO)N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984613 905239892 /nfs/dbraw/zinc/23/98/92/905239892.db2.gz WKMGNUZKUGFLLG-YADHBBJMSA-N 1 3 382.548 3.631 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC001172061323 905322518 /nfs/dbraw/zinc/32/25/18/905322518.db2.gz GDGUUSUKWWEEBF-NUNAXRQHSA-N 1 3 377.532 3.592 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001172061323 905322538 /nfs/dbraw/zinc/32/25/38/905322538.db2.gz GDGUUSUKWWEEBF-NUNAXRQHSA-N 1 3 377.532 3.592 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001172113488 905362735 /nfs/dbraw/zinc/36/27/35/905362735.db2.gz HTILNXCBOGIHOL-UMPJEAMMSA-N 1 3 376.850 3.997 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN)CCN1C(=O)OC(C)(C)C ZINC001172603031 905661876 /nfs/dbraw/zinc/66/18/76/905661876.db2.gz IRAKWLZIQJPAAD-FNHZYXHNSA-N 1 3 379.520 3.759 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584937 921165473 /nfs/dbraw/zinc/16/54/73/921165473.db2.gz OBMRYPXGDJXISD-FYYLOGMGSA-N 1 3 398.547 3.628 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584937 921165479 /nfs/dbraw/zinc/16/54/79/921165479.db2.gz OBMRYPXGDJXISD-FYYLOGMGSA-N 1 3 398.547 3.628 20 0 GHADHO CO[C@@H]1CCC[C@H]([NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001172933938 906002561 /nfs/dbraw/zinc/00/25/61/906002561.db2.gz CCFCEQOAWWAPTO-IPMKNSEASA-N 1 3 378.582 3.761 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001172960603 906069023 /nfs/dbraw/zinc/06/90/23/906069023.db2.gz ZKGVWKFXXUTESW-KURKYZTESA-N 1 3 393.597 3.757 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001172960603 906069036 /nfs/dbraw/zinc/06/90/36/906069036.db2.gz ZKGVWKFXXUTESW-KURKYZTESA-N 1 3 393.597 3.757 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001172960607 906070611 /nfs/dbraw/zinc/07/06/11/906070611.db2.gz ZKGVWKFXXUTESW-KZNAEPCWSA-N 1 3 393.597 3.757 20 0 GHADHO COc1ccc(C(=O)N2CCC(N[C@H](CC[NH+](C)C)c3ccccc3)CC2)cc1 ZINC001173398139 906424962 /nfs/dbraw/zinc/42/49/62/906424962.db2.gz FWJHUAFDSJYBBK-HSZRJFAPSA-N 1 3 395.547 3.582 20 0 GHADHO CC(C)Oc1ccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180997037 906892963 /nfs/dbraw/zinc/89/29/63/906892963.db2.gz VMDHVGUOZKZGOO-GOSISDBHSA-N 1 3 383.536 3.616 20 0 GHADHO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000365999742 921279948 /nfs/dbraw/zinc/27/99/48/921279948.db2.gz LUMOXUIGAWBODP-SIKLNZKXSA-N 1 3 379.548 3.873 20 0 GHADHO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000365999742 921279951 /nfs/dbraw/zinc/27/99/51/921279951.db2.gz LUMOXUIGAWBODP-SIKLNZKXSA-N 1 3 379.548 3.873 20 0 GHADHO C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630622 907042246 /nfs/dbraw/zinc/04/22/46/907042246.db2.gz YDTHIMZMYOIGTH-SJORKVTESA-N 1 3 383.536 3.877 20 0 GHADHO C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630622 907042262 /nfs/dbraw/zinc/04/22/62/907042262.db2.gz YDTHIMZMYOIGTH-SJORKVTESA-N 1 3 383.536 3.877 20 0 GHADHO CCCCN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984463 907334934 /nfs/dbraw/zinc/33/49/34/907334934.db2.gz PIXIIGZFZXPIQY-SFHVURJKSA-N 1 3 399.620 3.626 20 0 GHADHO CC(C)CN(Cc1ccn(-c2ccc(F)cc2F)n1)CC1CC[NH+](C)CC1 ZINC001175601356 907630212 /nfs/dbraw/zinc/63/02/12/907630212.db2.gz KPUHOCYYKFCDTE-UHFFFAOYSA-N 1 3 376.495 3.950 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000067671577 908579304 /nfs/dbraw/zinc/57/93/04/908579304.db2.gz PQZNUTRTRKTKQD-MRXNPFEDSA-N 1 3 377.479 3.557 20 0 GHADHO COC(=O)CC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001180302164 910058130 /nfs/dbraw/zinc/05/81/30/910058130.db2.gz TZUWWYOVFRYBMU-CAYSGGIESA-N 1 3 384.564 3.999 20 0 GHADHO c1ncn(Cc2ccc(CN[C@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)cc2)n1 ZINC000638338474 910125805 /nfs/dbraw/zinc/12/58/05/910125805.db2.gz BMHHLEIRPGUYKX-LADGPHEKSA-N 1 3 387.531 3.784 20 0 GHADHO c1ncn(Cc2ccc(CN[C@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)cc2)n1 ZINC000638338474 910125813 /nfs/dbraw/zinc/12/58/13/910125813.db2.gz BMHHLEIRPGUYKX-LADGPHEKSA-N 1 3 387.531 3.784 20 0 GHADHO CCCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CCN(Cc2ccccc2)CC1 ZINC001180680809 910302535 /nfs/dbraw/zinc/30/25/35/910302535.db2.gz BGVGFOPYRQIWHO-JTHBVZDNSA-N 1 3 383.580 3.907 20 0 GHADHO CCCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CCN(Cc2ccccc2)CC1 ZINC001180680809 910302553 /nfs/dbraw/zinc/30/25/53/910302553.db2.gz BGVGFOPYRQIWHO-JTHBVZDNSA-N 1 3 383.580 3.907 20 0 GHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000269624117 910322492 /nfs/dbraw/zinc/32/24/92/910322492.db2.gz RUIJYGISJGYOMW-LJQANCHMSA-N 1 3 392.547 3.633 20 0 GHADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)CC23CCC[NH+]2CCC3)cc1 ZINC001181108354 910539994 /nfs/dbraw/zinc/53/99/94/910539994.db2.gz APAQAWRNPFMMCD-NRFANRHFSA-N 1 3 399.579 3.527 20 0 GHADHO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc3c2CN(C)C[C@H]3c2ccccc2)C1 ZINC001181983724 911109845 /nfs/dbraw/zinc/10/98/45/911109845.db2.gz LXOBYWWSFMUCRH-CTNGQTDRSA-N 1 3 377.532 3.933 20 0 GHADHO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3c2CN(C)C[C@H]3c2ccccc2)C1 ZINC001181983724 911109859 /nfs/dbraw/zinc/10/98/59/911109859.db2.gz LXOBYWWSFMUCRH-CTNGQTDRSA-N 1 3 377.532 3.933 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000647343942 915164571 /nfs/dbraw/zinc/16/45/71/915164571.db2.gz GCNUQYQQCRDDRM-BLIXFSHQSA-N 1 3 395.938 3.917 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1NC(C)=O ZINC000647344669 915165356 /nfs/dbraw/zinc/16/53/56/915165356.db2.gz WONJPHRZNSCYRS-HBGVWJBISA-N 1 3 381.520 3.650 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292351181 915630984 /nfs/dbraw/zinc/63/09/84/915630984.db2.gz YFPCEMGQHICYKL-PZJWPPBQSA-N 1 3 379.548 3.604 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5cccnc5)C4)[C@@H]3C2)cc1 ZINC000295119547 917151277 /nfs/dbraw/zinc/15/12/77/917151277.db2.gz XDKHGPIWRGVNKO-UDIRQSBCSA-N 1 3 377.532 3.802 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)ccc1OC ZINC000775382517 917315120 /nfs/dbraw/zinc/31/51/20/917315120.db2.gz OVXUDRIFTJWBTF-MAUKXSAKSA-N 1 3 387.490 3.824 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)ccc1OC ZINC000775390849 917362288 /nfs/dbraw/zinc/36/22/88/917362288.db2.gz QIANHDNUYWHNSW-SFHVURJKSA-N 1 3 389.584 3.836 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000652073797 917792383 /nfs/dbraw/zinc/79/23/83/917792383.db2.gz QQXWNZSTLSCJHB-KZKAQZJJSA-N 1 3 391.559 3.653 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000652073798 917792967 /nfs/dbraw/zinc/79/29/67/917792967.db2.gz QQXWNZSTLSCJHB-MLDBQTBOSA-N 1 3 391.559 3.653 20 0 GHADHO C[NH+](C)Cc1cccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000365319254 920650256 /nfs/dbraw/zinc/65/02/56/920650256.db2.gz PJBFFILGTQFUQO-UHFFFAOYSA-N 1 3 398.473 3.675 20 0 GHADHO [NH3+]CCCC[C@@H](NCCNC(=O)c1ccccc1Cl)c1ccc(F)cc1F ZINC000902364476 922125911 /nfs/dbraw/zinc/12/59/11/922125911.db2.gz SFPKKMDGWWEWMN-LJQANCHMSA-N 1 3 395.881 3.808 20 0 GHADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1cc(F)ccc1Oc1cncc(Cl)c1 ZINC000902815701 922521512 /nfs/dbraw/zinc/52/15/12/922521512.db2.gz WBWPRLNYMWESEJ-AWEZNQCLSA-N 1 3 393.890 3.774 20 0 GHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C(F)(F)F)s1 ZINC000902872172 922571604 /nfs/dbraw/zinc/57/16/04/922571604.db2.gz XHBGGNRUDQMTMP-ZDUSSCGKSA-N 1 3 399.482 3.909 20 0 GHADHO CC(=O)OCc1cccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000903200136 922848377 /nfs/dbraw/zinc/84/83/77/922848377.db2.gz OXAVNTUSUSYSJH-GOSISDBHSA-N 1 3 381.520 3.708 20 0 GHADHO C[C@@H](NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(-c2ccc(Br)cc2)no1 ZINC000903925854 923402407 /nfs/dbraw/zinc/40/24/07/923402407.db2.gz HZGRLTWNRACGSF-OKSWLAIDSA-N 1 3 391.313 3.680 20 0 GHADHO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000903956024 923435807 /nfs/dbraw/zinc/43/58/07/923435807.db2.gz FKYKZNXKBMIMIF-KRWDZBQOSA-N 1 3 392.494 3.648 20 0 GHADHO CC1CCN(CCC[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000676870958 924119140 /nfs/dbraw/zinc/11/91/40/924119140.db2.gz DELDBILONWFJKO-VQTJNVASSA-N 1 3 397.563 3.696 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001137280382 924210950 /nfs/dbraw/zinc/21/09/50/924210950.db2.gz QAZRDXFVJJZHDP-XPWALMASSA-N 1 3 383.580 3.764 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001137280382 924210959 /nfs/dbraw/zinc/21/09/59/924210959.db2.gz QAZRDXFVJJZHDP-XPWALMASSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)CC1 ZINC000677737606 924473069 /nfs/dbraw/zinc/47/30/69/924473069.db2.gz IBCIDZDQLKLUAX-UHFFFAOYSA-N 1 3 379.976 3.599 20 0 GHADHO CCN(CC)[C@H](CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1)c1ccsc1 ZINC000827023790 924585399 /nfs/dbraw/zinc/58/53/99/924585399.db2.gz LERFONDCHOTSNN-IAGOWNOFSA-N 1 3 394.972 3.694 20 0 GHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000678269595 924699059 /nfs/dbraw/zinc/69/90/59/924699059.db2.gz DAOQWHPXNBYIBX-UHFFFAOYSA-N 1 3 393.575 3.664 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000678269595 924699063 /nfs/dbraw/zinc/69/90/63/924699063.db2.gz DAOQWHPXNBYIBX-UHFFFAOYSA-N 1 3 393.575 3.664 20 0 GHADHO Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCCN(Cc4ccccc4)C3)c(C)n2n1 ZINC000678542052 924817447 /nfs/dbraw/zinc/81/74/47/924817447.db2.gz MNMZAOMQEQGMMA-RXVVDRJESA-N 1 3 377.536 3.909 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)CC1 ZINC000411478496 926444930 /nfs/dbraw/zinc/44/49/30/926444930.db2.gz KNTVEWMHMOMXOT-MFMILTCTSA-N 1 3 377.960 3.616 20 0 GHADHO CC[C@@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000411885303 926875741 /nfs/dbraw/zinc/87/57/41/926875741.db2.gz QKVBVBWDLTXXNT-HSZRJFAPSA-N 1 3 379.548 3.817 20 0 GHADHO CN(CCCN(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1)Cc1ccco1 ZINC000412346372 927360888 /nfs/dbraw/zinc/36/08/88/927360888.db2.gz LTYYQWWYOQCMHT-UHFFFAOYSA-N 1 3 383.536 3.860 20 0 GHADHO CC(C)[NH+](CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(C)C ZINC000470225494 930466819 /nfs/dbraw/zinc/46/68/19/930466819.db2.gz AUZUNNDDKRHTIE-HXUWFJFHSA-N 1 3 377.548 3.663 20 0 GHADHO C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000780880559 930625358 /nfs/dbraw/zinc/62/53/58/930625358.db2.gz XYHLNAAZHRFFTN-UYAOXDASSA-N 1 3 387.568 3.886 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470888790 931001875 /nfs/dbraw/zinc/00/18/75/931001875.db2.gz AJVJBUFHIOOUBR-YADHBBJMSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470888790 931001881 /nfs/dbraw/zinc/00/18/81/931001881.db2.gz AJVJBUFHIOOUBR-YADHBBJMSA-N 1 3 386.584 3.557 20 0 GHADHO O=C1c2ccccc2C(=O)N1CCCCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000782930681 931367332 /nfs/dbraw/zinc/36/73/32/931367332.db2.gz DHRDJIOXPJWNST-FQEVSTJZSA-N 1 3 397.563 3.793 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124075 932056775 /nfs/dbraw/zinc/05/67/75/932056775.db2.gz FVMGIFCRJRVRQL-MBSDFSHPSA-N 1 3 382.548 3.722 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124075 932056785 /nfs/dbraw/zinc/05/67/85/932056785.db2.gz FVMGIFCRJRVRQL-MBSDFSHPSA-N 1 3 382.548 3.722 20 0 GHADHO CCCC[C@@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395838 932628337 /nfs/dbraw/zinc/62/83/37/932628337.db2.gz KSHUVVGXMWZESB-NFBKMPQASA-N 1 3 398.551 3.982 20 0 GHADHO C[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934044 932822021 /nfs/dbraw/zinc/82/20/21/932822021.db2.gz BQJDRDNHZGEVTF-AUSIDOKSSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934044 932822030 /nfs/dbraw/zinc/82/20/30/932822030.db2.gz BQJDRDNHZGEVTF-AUSIDOKSSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000799177817 932898444 /nfs/dbraw/zinc/89/84/44/932898444.db2.gz FNOMQCOFWCUCQP-LJQANCHMSA-N 1 3 379.548 3.825 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799177379 932898898 /nfs/dbraw/zinc/89/88/98/932898898.db2.gz NBQMDXACAWEMTJ-IRXDYDNUSA-N 1 3 377.960 3.714 20 0 GHADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)C2)nn1 ZINC000560979305 933753974 /nfs/dbraw/zinc/75/39/74/933753974.db2.gz CKYAMTBKTDNICD-KRWDZBQOSA-N 1 3 387.940 3.956 20 0 GHADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)C2)nn1 ZINC000560979305 933753984 /nfs/dbraw/zinc/75/39/84/933753984.db2.gz CKYAMTBKTDNICD-KRWDZBQOSA-N 1 3 387.940 3.956 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCC4(CCCCCC4)O3)CC2)CC1 ZINC000930130631 933847722 /nfs/dbraw/zinc/84/77/22/933847722.db2.gz RANNTIKEJHYORO-JOCHJYFZSA-N 1 3 377.617 3.749 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001122211281 934843940 /nfs/dbraw/zinc/84/39/40/934843940.db2.gz TURBQYWJHNLABJ-KRWDZBQOSA-N 1 3 383.536 3.736 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC001220883021 1032172174 /nfs/dbraw/zinc/17/21/74/1032172174.db2.gz GHOPOEPBOBTYOT-CVDCTZTESA-N 1 3 398.595 3.735 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC001220883021 1032172182 /nfs/dbraw/zinc/17/21/82/1032172182.db2.gz GHOPOEPBOBTYOT-CVDCTZTESA-N 1 3 398.595 3.735 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc([C@@H]2CCCN2)n1 ZINC001221012821 1032237123 /nfs/dbraw/zinc/23/71/23/1032237123.db2.gz CEKVIUWQOZPREK-HKUYNNGSSA-N 1 3 398.576 3.598 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc([C@@H]2CCCN2)n1 ZINC001221012821 1032237138 /nfs/dbraw/zinc/23/71/38/1032237138.db2.gz CEKVIUWQOZPREK-HKUYNNGSSA-N 1 3 398.576 3.598 20 0 GHADHO O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001221036954 1032247112 /nfs/dbraw/zinc/24/71/12/1032247112.db2.gz MOVLBILWPCILHF-XPWALMASSA-N 1 3 395.522 3.866 20 0 GHADHO CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(C(F)(F)F)c3c2CCNC3)nc1 ZINC001154854615 1032312167 /nfs/dbraw/zinc/31/21/67/1032312167.db2.gz JUJMHMSNPWJQRU-INIZCTEOSA-N 1 3 393.457 3.869 20 0 GHADHO CCC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C(F)(F)F)c3c2CCNC3)nc1 ZINC001154854615 1032312178 /nfs/dbraw/zinc/31/21/78/1032312178.db2.gz JUJMHMSNPWJQRU-INIZCTEOSA-N 1 3 393.457 3.869 20 0 GHADHO CC(C)CN(C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187602 1032322362 /nfs/dbraw/zinc/32/23/62/1032322362.db2.gz BIROEKXPXVFQNW-KZNAEPCWSA-N 1 3 385.474 3.850 20 0 GHADHO C[NH+](C)CC[C@@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C(C)(C)C ZINC001227447685 1032424088 /nfs/dbraw/zinc/42/40/88/1032424088.db2.gz SMECFBKTABFRTF-LEWJYISDSA-N 1 3 388.600 3.879 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](c2ccccc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000579275434 1020400002 /nfs/dbraw/zinc/40/00/02/1020400002.db2.gz XINXAMQXIATQDR-NQHRYMMQSA-N 1 3 393.575 3.703 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](c2ccccc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000579275434 1020400008 /nfs/dbraw/zinc/40/00/08/1020400008.db2.gz XINXAMQXIATQDR-NQHRYMMQSA-N 1 3 393.575 3.703 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c1 ZINC000579344926 1020407414 /nfs/dbraw/zinc/40/74/14/1020407414.db2.gz NCQUTECANOUMTG-NFBKMPQASA-N 1 3 382.548 3.858 20 0 GHADHO CN1CCN(Cc2cccc(Nc3ccc(CC[NH+]4CCCC4)cc3)c2)CC1 ZINC001204537097 1032955723 /nfs/dbraw/zinc/95/57/23/1032955723.db2.gz DHJSWXIRFPUMGW-UHFFFAOYSA-N 1 3 378.564 3.816 20 0 GHADHO Clc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c2c(n1)CNCC2 ZINC001156315340 1032976811 /nfs/dbraw/zinc/97/68/11/1032976811.db2.gz AURWMYLHMYWYCR-NZSAHSFTSA-N 1 3 382.939 3.703 20 0 GHADHO Clc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c2c(n1)CNCC2 ZINC001156315340 1032976817 /nfs/dbraw/zinc/97/68/17/1032976817.db2.gz AURWMYLHMYWYCR-NZSAHSFTSA-N 1 3 382.939 3.703 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4ncccc4CN4CCCC4)[C@H]3C2)cc1 ZINC001156317894 1032982284 /nfs/dbraw/zinc/98/22/84/1032982284.db2.gz NKYOONICPHFAPD-PMVMPFDFSA-N 1 3 376.548 4.000 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4ncccc4CN4CCCC4)[C@H]3C2)cc1 ZINC001156317894 1032982290 /nfs/dbraw/zinc/98/22/90/1032982290.db2.gz NKYOONICPHFAPD-PMVMPFDFSA-N 1 3 376.548 4.000 20 0 GHADHO C[NH+]1CCC2(CCN(Cc3c[nH]c4ncc(Br)cc34)CC2)CC1 ZINC001140462172 1021751553 /nfs/dbraw/zinc/75/15/53/1021751553.db2.gz SPMCGEBEKGRZQQ-UHFFFAOYSA-N 1 3 377.330 3.633 20 0 GHADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCCCN3C3CCCC3)cc2)CC1 ZINC000827820615 1022349934 /nfs/dbraw/zinc/34/99/34/1022349934.db2.gz DDDKUPFQYRJOPQ-HSZRJFAPSA-N 1 3 398.595 3.953 20 0 GHADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(OCCO)cc1)CC2 ZINC001138795752 1025372441 /nfs/dbraw/zinc/37/24/41/1025372441.db2.gz HTZXCECYABMXRM-JOCHJYFZSA-N 1 3 384.520 3.527 20 0 GHADHO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN2CCC3(CCCC3)CC2)c1C ZINC001141568302 1025583886 /nfs/dbraw/zinc/58/38/86/1025583886.db2.gz WUQWAVDCPUYPJZ-UHFFFAOYSA-N 1 3 388.600 3.859 20 0 GHADHO CCOC(=O)c1[nH]c2ccccc2c1CN1CCC(C2CC[NH+](C)CC2)CC1 ZINC001139464404 1026329621 /nfs/dbraw/zinc/32/96/21/1026329621.db2.gz QIEAQZHUHWVFQN-UHFFFAOYSA-N 1 3 383.536 3.898 20 0 GHADHO c1ccc(CN2CC3(C2)CC[NH+](Cc2ccccc2N2CCOCC2)CC3)cc1 ZINC001139507084 1026361189 /nfs/dbraw/zinc/36/11/89/1026361189.db2.gz PHJRSXBSQQPVSR-UHFFFAOYSA-N 1 3 391.559 3.621 20 0 GHADHO C[C@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165201986 1026663174 /nfs/dbraw/zinc/66/31/74/1026663174.db2.gz KYVTXEYCXWGDMT-PMACEKPBSA-N 1 3 394.563 3.559 20 0 GHADHO N[C@H](CC(=O)N1CCC(C2CC[NH2+]CC2)CC1)c1cccc(Cl)c1Cl ZINC001161207639 1026996660 /nfs/dbraw/zinc/99/66/60/1026996660.db2.gz BLWMODNAQBXNQT-QGZVFWFLSA-N 1 3 384.351 3.622 20 0 GHADHO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCN(C)C2)c1OC(F)F ZINC001461182475 1069430396 /nfs/dbraw/zinc/43/03/96/1069430396.db2.gz PMCWYGAVBGVWHE-LBPRGKRZSA-N 1 3 377.273 3.790 20 0 GHADHO [NH3+]CCN(Cc1ccc(Cl)cc1Cl)c1cc(Cl)nc2c1CCNC2 ZINC001166911294 1027149599 /nfs/dbraw/zinc/14/95/99/1027149599.db2.gz XNSOJNVIPZPXQE-UHFFFAOYSA-N 1 3 385.726 3.653 20 0 GHADHO CC(=O)OCc1ccc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)o1 ZINC001141783833 1027265757 /nfs/dbraw/zinc/26/57/57/1027265757.db2.gz FMOKYELPOBKWMD-OAQYLSRUSA-N 1 3 386.492 3.812 20 0 GHADHO CC(=O)OCc1ccc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)o1 ZINC001141783833 1027265771 /nfs/dbraw/zinc/26/57/71/1027265771.db2.gz FMOKYELPOBKWMD-OAQYLSRUSA-N 1 3 386.492 3.812 20 0 GHADHO CC(=O)OCc1ccc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)o1 ZINC001141785703 1027274182 /nfs/dbraw/zinc/27/41/82/1027274182.db2.gz YSPUKYHNAJLCSN-UHFFFAOYSA-N 1 3 397.519 3.614 20 0 GHADHO CC(=O)OCc1ccc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)o1 ZINC001141785703 1027274201 /nfs/dbraw/zinc/27/42/01/1027274201.db2.gz YSPUKYHNAJLCSN-UHFFFAOYSA-N 1 3 397.519 3.614 20 0 GHADHO COc1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1O ZINC001204115814 1027889471 /nfs/dbraw/zinc/88/94/71/1027889471.db2.gz QVPDEXNJXBZGGR-OAQYLSRUSA-N 1 3 396.531 3.656 20 0 GHADHO COc1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1O ZINC001204115814 1027889500 /nfs/dbraw/zinc/88/95/00/1027889500.db2.gz QVPDEXNJXBZGGR-OAQYLSRUSA-N 1 3 396.531 3.656 20 0 GHADHO c1nc2cccc(CN3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCC3CC3)c2[nH]1 ZINC001142680299 1029256142 /nfs/dbraw/zinc/25/61/42/1029256142.db2.gz XFALQVNQMWCUIK-QPPBQGQZSA-N 1 3 394.563 3.523 20 0 GHADHO c1nc2cccc(CN3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)c2[nH]1 ZINC001142680299 1029256145 /nfs/dbraw/zinc/25/61/45/1029256145.db2.gz XFALQVNQMWCUIK-QPPBQGQZSA-N 1 3 394.563 3.523 20 0 GHADHO C[C@@H](CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)N(C)Cc1ccccc1 ZINC001221968654 1029911095 /nfs/dbraw/zinc/91/10/95/1029911095.db2.gz ZZWKHMKUROMCGW-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO COc1cc(OC)c(CN2CCCC3(CCCC[NH2+]C3)CCC2)c(OC)c1 ZINC001222109759 1029967723 /nfs/dbraw/zinc/96/77/23/1029967723.db2.gz PBCBOQAMDZSMLO-UHFFFAOYSA-N 1 3 376.541 3.848 20 0 GHADHO C[C@@H]1CC[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426573 1029998474 /nfs/dbraw/zinc/99/84/74/1029998474.db2.gz AIHAHSCNVRTDKG-WLRLJWMZSA-N 1 3 387.568 3.709 20 0 GHADHO C[C@@H]1CC[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426573 1029998480 /nfs/dbraw/zinc/99/84/80/1029998480.db2.gz AIHAHSCNVRTDKG-WLRLJWMZSA-N 1 3 387.568 3.709 20 0 GHADHO [NH3+]CC1(F)CCN(Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC001222539024 1030187543 /nfs/dbraw/zinc/18/75/43/1030187543.db2.gz SOKOMIKBBILJQO-UHFFFAOYSA-N 1 3 384.318 3.835 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC001223657164 1030689058 /nfs/dbraw/zinc/68/90/58/1030689058.db2.gz WZYWCXGOSYSYGU-NQIIRXRSSA-N 1 3 390.616 3.763 20 0 GHADHO CC(C)(C)[C@H]([NH3+])CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001218845258 1031110967 /nfs/dbraw/zinc/11/09/67/1031110967.db2.gz BQGQCXLUFUDCIO-JOCHJYFZSA-N 1 3 394.563 3.711 20 0 GHADHO CN1Cc2c(NC(=O)C3CCC(C[NH3+])CC3)cccc2[C@H](c2ccccc2)C1 ZINC001219046572 1031227795 /nfs/dbraw/zinc/22/77/95/1031227795.db2.gz DQWYEXMNQXUBSM-XTXLOEGASA-N 1 3 377.532 3.968 20 0 GHADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(Oc2c(Cl)cncc2Cl)cc1 ZINC001219516616 1031467320 /nfs/dbraw/zinc/46/73/20/1031467320.db2.gz ZIDMITLIVDJOHS-HNNXBMFYSA-N 1 3 383.279 3.576 20 0 GHADHO CCCCN(CC)[C@@H](C(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1ccccc1 ZINC001219706057 1031567054 /nfs/dbraw/zinc/56/70/54/1031567054.db2.gz VKXAZHMFAUWCHX-HSZRJFAPSA-N 1 3 379.548 3.812 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219940918 1031707434 /nfs/dbraw/zinc/70/74/34/1031707434.db2.gz IGQJYUMBNPOWGP-OEMFJLHTSA-N 1 3 391.559 3.898 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219940918 1031707444 /nfs/dbraw/zinc/70/74/44/1031707444.db2.gz IGQJYUMBNPOWGP-OEMFJLHTSA-N 1 3 391.559 3.898 20 0 GHADHO C[NH+]1C(C)(C)CC(NC(=O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)CC1(C)C ZINC001220508944 1031969207 /nfs/dbraw/zinc/96/92/07/1031969207.db2.gz DLHLAUDYKJTZNY-JOCHJYFZSA-N 1 3 393.575 3.991 20 0 GHADHO CN(C)Cc1ccc(-c2noc(C3(Cc4cccc(F)c4)CC[NH2+]CC3)n2)cc1 ZINC001206134648 1033733913 /nfs/dbraw/zinc/73/39/13/1033733913.db2.gz GTVJDYJORNQYST-UHFFFAOYSA-N 1 3 394.494 3.801 20 0 GHADHO CC(C)N(Cc1ccc(-n2cccn2)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206599355 1033921090 /nfs/dbraw/zinc/92/10/90/1033921090.db2.gz RTXFZZMCFFLRBL-QGZVFWFLSA-N 1 3 391.357 3.987 20 0 GHADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158251271 1033988675 /nfs/dbraw/zinc/98/86/75/1033988675.db2.gz ZSIXQJFQQOJQLT-OKZBNKHCSA-N 1 3 395.469 3.545 20 0 GHADHO Cc1ccc(-c2csc3ncnc(N4CCC([N@@H+]5CC[C@H](N)C5)CC4)c23)cc1 ZINC001158258535 1033991484 /nfs/dbraw/zinc/99/14/84/1033991484.db2.gz BRMOLCZQKYXFQD-KRWDZBQOSA-N 1 3 393.560 3.669 20 0 GHADHO Cc1ccc(-c2csc3ncnc(N4CCC([N@H+]5CC[C@H](N)C5)CC4)c23)cc1 ZINC001158258535 1033991488 /nfs/dbraw/zinc/99/14/88/1033991488.db2.gz BRMOLCZQKYXFQD-KRWDZBQOSA-N 1 3 393.560 3.669 20 0 GHADHO Cc1ccc(-c2nnc(N3CCC([N@@H+]4CC[C@@H](N)C4)CC3)c3ccccc32)cc1 ZINC001158270988 1033995564 /nfs/dbraw/zinc/99/55/64/1033995564.db2.gz WZUZSKSYRPRECO-LJQANCHMSA-N 1 3 387.531 3.607 20 0 GHADHO Cc1ccc(-c2nnc(N3CCC([N@H+]4CC[C@@H](N)C4)CC3)c3ccccc32)cc1 ZINC001158270988 1033995570 /nfs/dbraw/zinc/99/55/70/1033995570.db2.gz WZUZSKSYRPRECO-LJQANCHMSA-N 1 3 387.531 3.607 20 0 GHADHO Cc1ccc(-c2nnc(N3CCC([N@@H+]4CC[C@H](N)C4)CC3)c3ccccc32)cc1 ZINC001158270987 1033995771 /nfs/dbraw/zinc/99/57/71/1033995771.db2.gz WZUZSKSYRPRECO-IBGZPJMESA-N 1 3 387.531 3.607 20 0 GHADHO Cc1ccc(-c2nnc(N3CCC([N@H+]4CC[C@H](N)C4)CC3)c3ccccc32)cc1 ZINC001158270987 1033995775 /nfs/dbraw/zinc/99/57/75/1033995775.db2.gz WZUZSKSYRPRECO-IBGZPJMESA-N 1 3 387.531 3.607 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCOCc1ccccc1)CC2 ZINC001207234707 1034201008 /nfs/dbraw/zinc/20/10/08/1034201008.db2.gz XWCWRKTWZMUJLW-DEOSSOPVSA-N 1 3 394.559 3.959 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289332 1034240424 /nfs/dbraw/zinc/24/04/24/1034240424.db2.gz KZPGQAYGSHFZJJ-SFTDATJTSA-N 1 3 385.552 3.592 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1ccc(F)cc1)CC2 ZINC001207512472 1034417387 /nfs/dbraw/zinc/41/73/87/1034417387.db2.gz RAIVUVDETFXNJZ-QHCPKHFHSA-N 1 3 397.538 3.766 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC001207793606 1034578883 /nfs/dbraw/zinc/57/88/83/1034578883.db2.gz OSDIZUMEBGJUHD-SSTJLMRISA-N 1 3 385.552 3.685 20 0 GHADHO Fc1cc(Nc2cccc(CN3CC[NH2+]CC3)c2)ccc1CN1CCCCC1 ZINC001159637220 1034698963 /nfs/dbraw/zinc/69/89/63/1034698963.db2.gz KZYOTSUIFOTZIE-UHFFFAOYSA-N 1 3 382.527 3.960 20 0 GHADHO C[NH+]1CCC(C)(CN2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001208106558 1034739216 /nfs/dbraw/zinc/73/92/16/1034739216.db2.gz GPPZBHAVYKMCFQ-SFTDATJTSA-N 1 3 399.579 3.937 20 0 GHADHO CC1=C[C@@H](C)[C@@H](C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CC1 ZINC001208175962 1034776125 /nfs/dbraw/zinc/77/61/25/1034776125.db2.gz OOBNPWWRWJCTGE-FYYLOGMGSA-N 1 3 383.580 3.988 20 0 GHADHO COc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707282 1034850012 /nfs/dbraw/zinc/85/00/12/1034850012.db2.gz IAQOZCFTFPYVEV-NRFANRHFSA-N 1 3 382.504 3.574 20 0 GHADHO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707282 1034850019 /nfs/dbraw/zinc/85/00/19/1034850019.db2.gz IAQOZCFTFPYVEV-NRFANRHFSA-N 1 3 382.504 3.574 20 0 GHADHO CN1CCN(Cc2ccc(Nc3ccc(C[C@@H]4CCC[NH2+]C4)cc3)cc2)CC1 ZINC001160266148 1034923030 /nfs/dbraw/zinc/92/30/30/1034923030.db2.gz RTQCNZBBMVXNDH-QFIPXVFZSA-N 1 3 378.564 3.720 20 0 GHADHO CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(-c3ccncc3)cc2CN)nc1 ZINC001160339557 1034944143 /nfs/dbraw/zinc/94/41/43/1034944143.db2.gz OUTXVFDVUXGQRU-NRFANRHFSA-N 1 3 376.508 3.725 20 0 GHADHO CCC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(-c3ccncc3)cc2CN)nc1 ZINC001160339557 1034944149 /nfs/dbraw/zinc/94/41/49/1034944149.db2.gz OUTXVFDVUXGQRU-NRFANRHFSA-N 1 3 376.508 3.725 20 0 GHADHO CC[NH+]1CCC(CN2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)CC1 ZINC001208599689 1034951475 /nfs/dbraw/zinc/95/14/75/1034951475.db2.gz KSKOAJSADNFOHX-UHFFFAOYSA-N 1 3 390.881 3.608 20 0 GHADHO CN(C)C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1 ZINC001160520564 1034994295 /nfs/dbraw/zinc/99/42/95/1034994295.db2.gz WJSRWKAUFQNSAU-QFIPXVFZSA-N 1 3 383.511 3.844 20 0 GHADHO CC1(C)C[NH2+]C[C@H]1C(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160683445 1035035231 /nfs/dbraw/zinc/03/52/31/1035035231.db2.gz MMQMCXDLTKQRRI-GOTSBHOMSA-N 1 3 391.559 3.535 20 0 GHADHO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1cc3c[nH]ccc-3n1)CC2 ZINC001232012775 1035042257 /nfs/dbraw/zinc/04/22/57/1035042257.db2.gz QZGHXWQQPSGDQA-UHFFFAOYSA-N 1 3 379.508 3.798 20 0 GHADHO Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1cc3c[nH]ccc-3n1)CC2 ZINC001232012775 1035042266 /nfs/dbraw/zinc/04/22/66/1035042266.db2.gz QZGHXWQQPSGDQA-UHFFFAOYSA-N 1 3 379.508 3.798 20 0 GHADHO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1cc3cnccc3[nH]1)CC2 ZINC001232012775 1035042275 /nfs/dbraw/zinc/04/22/75/1035042275.db2.gz QZGHXWQQPSGDQA-UHFFFAOYSA-N 1 3 379.508 3.798 20 0 GHADHO Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1cc3cnccc3[nH]1)CC2 ZINC001232012775 1035042298 /nfs/dbraw/zinc/04/22/98/1035042298.db2.gz QZGHXWQQPSGDQA-UHFFFAOYSA-N 1 3 379.508 3.798 20 0 GHADHO CC[NH+](CC)CCCN1CCN(CCCc2cccc(Br)c2)CC1 ZINC001208826594 1035045205 /nfs/dbraw/zinc/04/52/05/1035045205.db2.gz ZMFZRMSQKBKQLQ-UHFFFAOYSA-N 1 3 396.417 3.731 20 0 GHADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935659 1035101772 /nfs/dbraw/zinc/10/17/72/1035101772.db2.gz KXACGNZGOCLATB-CCDWMCETSA-N 1 3 390.575 3.642 20 0 GHADHO c1ccc(CN2CCC[C@H](C[N@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935659 1035101774 /nfs/dbraw/zinc/10/17/74/1035101774.db2.gz KXACGNZGOCLATB-CCDWMCETSA-N 1 3 390.575 3.642 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C[C@H]21 ZINC001208941612 1035111053 /nfs/dbraw/zinc/11/10/53/1035111053.db2.gz MUMGJUSPUBLFHS-YPAWHYETSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C[C@H]21 ZINC001208941612 1035111058 /nfs/dbraw/zinc/11/10/58/1035111058.db2.gz MUMGJUSPUBLFHS-YPAWHYETSA-N 1 3 399.579 3.840 20 0 GHADHO O=c1oc2ccccc2n1C1CC[NH+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208947712 1035116818 /nfs/dbraw/zinc/11/68/18/1035116818.db2.gz BZSYSWLQAIEDCW-HXUWFJFHSA-N 1 3 391.515 3.754 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC001232147829 1035126351 /nfs/dbraw/zinc/12/63/51/1035126351.db2.gz MIKHBLBRCHQTCZ-QHCPKHFHSA-N 1 3 399.485 3.655 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CCc3ncnc(-c4ccoc4)c3CC2)c1 ZINC001232150783 1035129107 /nfs/dbraw/zinc/12/91/07/1035129107.db2.gz UYBKEGWIWAGAGO-UHFFFAOYSA-N 1 3 380.467 3.538 20 0 GHADHO N[C@@H](CC1CCCC1)C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001161145662 1035158835 /nfs/dbraw/zinc/15/88/35/1035158835.db2.gz GTQMHSAGUPSPQG-QFIPXVFZSA-N 1 3 383.580 3.799 20 0 GHADHO Fc1ccccc1C[NH+]1CCC(CNc2cc(Cl)nc3c2CCNC3)CC1 ZINC001161193816 1035175860 /nfs/dbraw/zinc/17/58/60/1035175860.db2.gz DYLARMFPHNHBPB-UHFFFAOYSA-N 1 3 388.918 3.844 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCCc1ccncc1)CC2 ZINC001209186845 1035203837 /nfs/dbraw/zinc/20/38/37/1035203837.db2.gz TUIBBKGPDLBBGV-QHCPKHFHSA-N 1 3 379.548 3.770 20 0 GHADHO Cc1ccc(CN(C(=O)c2cc3c(s2)CNCC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161405571 1035224204 /nfs/dbraw/zinc/22/42/04/1035224204.db2.gz HCIUAPKTGFNGJV-WGSAOQKQSA-N 1 3 383.561 3.615 20 0 GHADHO C[C@H](C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)c(F)c1 ZINC001161447504 1035232897 /nfs/dbraw/zinc/23/28/97/1035232897.db2.gz XRMOVTPLSUSOFW-RXVVDRJESA-N 1 3 397.538 3.738 20 0 GHADHO c1cnn(-c2ccc(C[N@H+]3CCC[C@@]4(CCN(Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771917 1036127948 /nfs/dbraw/zinc/12/79/48/1036127948.db2.gz AFQSFCXBNWDRBI-XMMPIXPASA-N 1 3 387.531 3.755 20 0 GHADHO c1cnn(-c2ccc(C[N@@H+]3CCC[C@@]4(CCN(Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771917 1036127953 /nfs/dbraw/zinc/12/79/53/1036127953.db2.gz AFQSFCXBNWDRBI-XMMPIXPASA-N 1 3 387.531 3.755 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H](CC1CCC1)c1cccc(F)c1 ZINC001245998027 1037118629 /nfs/dbraw/zinc/11/86/29/1037118629.db2.gz FFZOSCPXHLUSSO-BHDDXSALSA-N 1 3 392.465 3.856 20 0 GHADHO C[C@](O)(CNC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1)c1ccccc1 ZINC001246004627 1037125536 /nfs/dbraw/zinc/12/55/36/1037125536.db2.gz DRVVCTXFFYVGLS-FQEVSTJZSA-N 1 3 392.465 3.867 20 0 GHADHO C[C@](O)(C[NH2+]C1(Cc2ccc(C(F)(F)F)cc2)CCNCC1)c1ccccc1 ZINC001246004627 1037125563 /nfs/dbraw/zinc/12/55/63/1037125563.db2.gz DRVVCTXFFYVGLS-FQEVSTJZSA-N 1 3 392.465 3.867 20 0 GHADHO C[C@]1(C[NH3+])CCCCN(C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001246018060 1037139121 /nfs/dbraw/zinc/13/91/21/1037139121.db2.gz ABZPNIDICCWYTI-UZUQRXQVSA-N 1 3 381.520 3.512 20 0 GHADHO Fc1ccccc1C1(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)CCOCC1 ZINC001246178803 1037224381 /nfs/dbraw/zinc/22/43/81/1037224381.db2.gz OHMQYZPLKBENRN-NHCUHLMSSA-N 1 3 382.523 3.827 20 0 GHADHO COC(=O)C(CN[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)(Cc1ccccc1)Cc1ccccc1 ZINC001246332050 1037299857 /nfs/dbraw/zinc/29/98/57/1037299857.db2.gz YKODGJPNTDVYFG-JKHIJQBDSA-N 1 3 392.543 3.504 20 0 GHADHO C[C@H](CCc1ccc(Br)cc1)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246342224 1037303753 /nfs/dbraw/zinc/30/37/53/1037303753.db2.gz QXUPKQIPPFTVNP-BYCMXARLSA-N 1 3 379.264 3.900 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246381019 1037341149 /nfs/dbraw/zinc/34/11/49/1037341149.db2.gz MWZZKWHMLWNLBX-SJLPKXTDSA-N 1 3 378.944 3.716 20 0 GHADHO C[C@@H]1CC([NH2+]CC2(Cc3ccccc3Br)CCOCC2)C[C@@H](C)N1 ZINC001246441661 1037403043 /nfs/dbraw/zinc/40/30/43/1037403043.db2.gz NWBFUVVLVHQGPB-HZPDHXFCSA-N 1 3 395.385 3.907 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](NC[C@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246513150 1037452798 /nfs/dbraw/zinc/45/27/98/1037452798.db2.gz VZOCJRFJXDEEFA-XCRHUMRWSA-N 1 3 381.358 3.757 20 0 GHADHO N[C@H]1CN(C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@H]1F ZINC001246526760 1037458552 /nfs/dbraw/zinc/45/85/52/1037458552.db2.gz BRDXGXBURTXXBP-ZQHBMWIYSA-N 1 3 381.539 3.981 20 0 GHADHO C[C@@H](Cc1cccnc1)[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617717 1037507153 /nfs/dbraw/zinc/50/71/53/1037507153.db2.gz FWSMRRCHMCQMGI-NZQKXSOJSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H](Cc1cccnc1)[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617717 1037507178 /nfs/dbraw/zinc/50/71/78/1037507178.db2.gz FWSMRRCHMCQMGI-NZQKXSOJSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H](Cc1cccnc1)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617717 1037507211 /nfs/dbraw/zinc/50/72/11/1037507211.db2.gz FWSMRRCHMCQMGI-NZQKXSOJSA-N 1 3 379.548 3.816 20 0 GHADHO Brc1ccc(C2CCC([N@@H+]3CCN[C@H]4CCNCC[C@@H]43)CC2)cc1 ZINC001246619446 1037509362 /nfs/dbraw/zinc/50/93/62/1037509362.db2.gz RFDYNGBEQUUVLK-QUDVFMAMSA-N 1 3 392.385 3.501 20 0 GHADHO Brc1ccc(C2CCC([N@H+]3CCN[C@H]4CCNCC[C@@H]43)CC2)cc1 ZINC001246619446 1037509381 /nfs/dbraw/zinc/50/93/81/1037509381.db2.gz RFDYNGBEQUUVLK-QUDVFMAMSA-N 1 3 392.385 3.501 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246629494 1037514564 /nfs/dbraw/zinc/51/45/64/1037514564.db2.gz OEVBYMPLSQYAGU-IRQNMHNUSA-N 1 3 390.955 3.769 20 0 GHADHO CC[C@@H]1C[C@@H](N2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246707529 1037561558 /nfs/dbraw/zinc/56/15/58/1037561558.db2.gz BHLYSBJAWULHOE-DXGJXXFVSA-N 1 3 387.568 3.641 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CCN[C@H](Cc3ccccc3)C2)o1 ZINC001246711569 1037564589 /nfs/dbraw/zinc/56/45/89/1037564589.db2.gz YORYRCMASXLBHN-CJTFWIGWSA-N 1 3 379.548 3.600 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@@H]2CCN[C@H](Cc3ccccc3)C2)o1 ZINC001246711569 1037564605 /nfs/dbraw/zinc/56/46/05/1037564605.db2.gz YORYRCMASXLBHN-CJTFWIGWSA-N 1 3 379.548 3.600 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246718080 1037570012 /nfs/dbraw/zinc/57/00/12/1037570012.db2.gz HRCWWLJCSWPAOR-WRALFONMSA-N 1 3 397.607 3.710 20 0 GHADHO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)c2ccccc21 ZINC001246753454 1037593368 /nfs/dbraw/zinc/59/33/68/1037593368.db2.gz LZJIQHCMOFHYBC-HKBOAZHASA-N 1 3 397.607 3.907 20 0 GHADHO CCN(CC)C(=O)C[C@H]1CC2(CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)c2ccccc21 ZINC001246753454 1037593383 /nfs/dbraw/zinc/59/33/83/1037593383.db2.gz LZJIQHCMOFHYBC-HKBOAZHASA-N 1 3 397.607 3.907 20 0 GHADHO CC(=O)N1CC2(CCN([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)c2cc(C)ccc21 ZINC001246773701 1037615491 /nfs/dbraw/zinc/61/54/91/1037615491.db2.gz GOYWBJLERLPOLP-DENIHFKCSA-N 1 3 383.580 3.862 20 0 GHADHO CC(C)(C)[NH+]1CCC(N2CCN[C@H](c3cccc(Br)c3)C2)CC1 ZINC001246807635 1037642953 /nfs/dbraw/zinc/64/29/53/1037642953.db2.gz SXFBFSXKQJQILS-SFHVURJKSA-N 1 3 380.374 3.658 20 0 GHADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246836332 1037665974 /nfs/dbraw/zinc/66/59/74/1037665974.db2.gz XHQHNXRMJPIXKI-OLKYXYMISA-N 1 3 381.539 3.552 20 0 GHADHO COC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[N@@H+]1[C@H]1CCOC2(CNC2)C1 ZINC001246863929 1037682255 /nfs/dbraw/zinc/68/22/55/1037682255.db2.gz MILCSDSTGQJTLL-GOTSBHOMSA-N 1 3 392.543 3.562 20 0 GHADHO COC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[N@H+]1[C@H]1CCOC2(CNC2)C1 ZINC001246863929 1037682263 /nfs/dbraw/zinc/68/22/63/1037682263.db2.gz MILCSDSTGQJTLL-GOTSBHOMSA-N 1 3 392.543 3.562 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246914787 1037721672 /nfs/dbraw/zinc/72/16/72/1037721672.db2.gz CNBUHEUFURIDPH-XSDIEEQYSA-N 1 3 376.516 3.890 20 0 GHADHO C[C@H]1CC(N2CCC3(Cc4cc(Br)ccc4O3)CC2)C[C@H](C)[NH2+]1 ZINC001246920002 1037726465 /nfs/dbraw/zinc/72/64/65/1037726465.db2.gz CKOIDOMZOOXVNL-KBPBESRZSA-N 1 3 379.342 3.748 20 0 GHADHO CC1(C)[N@@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246924766 1037730927 /nfs/dbraw/zinc/73/09/27/1037730927.db2.gz JQXDJLBSNFQCDG-FHAGJXEFSA-N 1 3 390.527 3.691 20 0 GHADHO CC1(C)[N@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246924766 1037730941 /nfs/dbraw/zinc/73/09/41/1037730941.db2.gz JQXDJLBSNFQCDG-FHAGJXEFSA-N 1 3 390.527 3.691 20 0 GHADHO CC1(C)N([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246924766 1037730952 /nfs/dbraw/zinc/73/09/52/1037730952.db2.gz JQXDJLBSNFQCDG-FHAGJXEFSA-N 1 3 390.527 3.691 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951580 1037756380 /nfs/dbraw/zinc/75/63/80/1037756380.db2.gz LZFVJMACMWPOOK-QUCCMNQESA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951580 1037756400 /nfs/dbraw/zinc/75/64/00/1037756400.db2.gz LZFVJMACMWPOOK-QUCCMNQESA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246998736 1037823072 /nfs/dbraw/zinc/82/30/72/1037823072.db2.gz ZSSHXVKGSKLCLM-ZLNRFVROSA-N 1 3 378.516 3.973 20 0 GHADHO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246998736 1037823087 /nfs/dbraw/zinc/82/30/87/1037823087.db2.gz ZSSHXVKGSKLCLM-ZLNRFVROSA-N 1 3 378.516 3.973 20 0 GHADHO CC(C)(C)[C@H]1C[C@@H](N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246998390 1037825292 /nfs/dbraw/zinc/82/52/92/1037825292.db2.gz FTZXZRCROBFFEJ-VQTJNVASSA-N 1 3 391.987 3.835 20 0 GHADHO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001462219523 1070093650 /nfs/dbraw/zinc/09/36/50/1070093650.db2.gz KKTYTNGTEZQYKK-GZGNHOFSSA-N 1 3 399.623 3.720 20 0 GHADHO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001462219523 1070093664 /nfs/dbraw/zinc/09/36/64/1070093664.db2.gz KKTYTNGTEZQYKK-GZGNHOFSSA-N 1 3 399.623 3.720 20 0 GHADHO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001462237729 1070109953 /nfs/dbraw/zinc/10/99/53/1070109953.db2.gz ZHMVCOCZXDRMMW-PMXSJFBMSA-N 1 3 387.568 3.932 20 0 GHADHO Cc1ccc(OCc2ccccc2)c(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC001232380632 1038154875 /nfs/dbraw/zinc/15/48/75/1038154875.db2.gz YSRWCYKJECJMSD-UHFFFAOYSA-N 1 3 393.575 3.786 20 0 GHADHO Cc1cccc(F)c1CN1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001232483884 1038262478 /nfs/dbraw/zinc/26/24/78/1038262478.db2.gz UKDDGLWZUIJNIQ-UEVCKROQSA-N 1 3 390.543 3.614 20 0 GHADHO CN(C)Cc1ccc(-c2noc([C@@H]3Oc4ccccc4C34CC[NH2+]CC4)n2)cc1 ZINC001247900359 1038472379 /nfs/dbraw/zinc/47/23/79/1038472379.db2.gz YHEKETBEQKYCDG-FQEVSTJZSA-N 1 3 390.487 3.553 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1-n1cccc1)C2 ZINC001232910584 1038707402 /nfs/dbraw/zinc/70/74/02/1038707402.db2.gz CCLHAOYAQTXANF-UPVQGACJSA-N 1 3 379.548 3.658 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1-n1cccc1)C2 ZINC001232910584 1038707412 /nfs/dbraw/zinc/70/74/12/1038707412.db2.gz CCLHAOYAQTXANF-UPVQGACJSA-N 1 3 379.548 3.658 20 0 GHADHO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252289614 1038926798 /nfs/dbraw/zinc/92/67/98/1038926798.db2.gz ZNCIEXRGNJMZGP-RPBOFIJWSA-N 1 3 394.559 3.552 20 0 GHADHO O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252289614 1038926799 /nfs/dbraw/zinc/92/67/99/1038926799.db2.gz ZNCIEXRGNJMZGP-RPBOFIJWSA-N 1 3 394.559 3.552 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cnc(C)c(C)c1)CC2 ZINC001233158661 1038932487 /nfs/dbraw/zinc/93/24/87/1038932487.db2.gz LUJOJIFZBCGIMM-HSZRJFAPSA-N 1 3 394.563 3.597 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cnc(C)c(C)c1)CC2 ZINC001233158661 1038932489 /nfs/dbraw/zinc/93/24/89/1038932489.db2.gz LUJOJIFZBCGIMM-HSZRJFAPSA-N 1 3 394.563 3.597 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccc(C)c(O)c1)CC2 ZINC001233230949 1038992220 /nfs/dbraw/zinc/99/22/20/1038992220.db2.gz FWTKBDOAPJPTNA-JOCHJYFZSA-N 1 3 395.547 3.599 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccc(C)c(O)c1)CC2 ZINC001233230949 1038992223 /nfs/dbraw/zinc/99/22/23/1038992223.db2.gz FWTKBDOAPJPTNA-JOCHJYFZSA-N 1 3 395.547 3.599 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccc(C)c(O)c1)CC2 ZINC001233230950 1038992340 /nfs/dbraw/zinc/99/23/40/1038992340.db2.gz FWTKBDOAPJPTNA-QFIPXVFZSA-N 1 3 395.547 3.599 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccc(C)c(O)c1)CC2 ZINC001233230950 1038992349 /nfs/dbraw/zinc/99/23/49/1038992349.db2.gz FWTKBDOAPJPTNA-QFIPXVFZSA-N 1 3 395.547 3.599 20 0 GHADHO COCOc1cccc(C[NH+]2CCC3(CCCN3Cc3c(C)noc3C)CC2)c1 ZINC001233279372 1039051108 /nfs/dbraw/zinc/05/11/08/1039051108.db2.gz BSUOBZJZYSARIJ-UHFFFAOYSA-N 1 3 399.535 3.905 20 0 GHADHO C[N@@H+](Cc1ccc([O-])c2[nH]c(=O)ccc12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001233294354 1039082440 /nfs/dbraw/zinc/08/24/40/1039082440.db2.gz HEEZQPRYKOUWJP-UHFFFAOYSA-N 1 3 391.515 3.990 20 0 GHADHO C[N@H+](Cc1ccc([O-])c2[nH]c(=O)ccc12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001233294354 1039082459 /nfs/dbraw/zinc/08/24/59/1039082459.db2.gz HEEZQPRYKOUWJP-UHFFFAOYSA-N 1 3 391.515 3.990 20 0 GHADHO C[NH+](C)Cc1ccc(CN2CCC(C3CCOCC3)CC2)c2c1OC(F)(F)O2 ZINC001462372041 1070207920 /nfs/dbraw/zinc/20/79/20/1070207920.db2.gz UXXKTQJFFPJMFM-UHFFFAOYSA-N 1 3 396.478 3.708 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001233739663 1039580184 /nfs/dbraw/zinc/58/01/84/1039580184.db2.gz JTQNGTSGLOMFDQ-UEVCKROQSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001233739663 1039580193 /nfs/dbraw/zinc/58/01/93/1039580193.db2.gz JTQNGTSGLOMFDQ-UEVCKROQSA-N 1 3 398.595 3.603 20 0 GHADHO O[C@H](C[NH2+]CC1CCN(Cc2ccccc2F)CC1)c1ccc(F)c(F)c1 ZINC001253376820 1039586686 /nfs/dbraw/zinc/58/66/86/1039586686.db2.gz MFNYECAYLOIYKG-OAQYLSRUSA-N 1 3 378.438 3.639 20 0 GHADHO OC1(C[NH2+]Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2)CC1 ZINC001254051342 1039976408 /nfs/dbraw/zinc/97/64/08/1039976408.db2.gz IPXAOIBAKMGSDR-UHFFFAOYSA-N 1 3 387.527 3.865 20 0 GHADHO CCc1ccc(-c2ccc(-c3cn(CCCC[NH2+]CCCN)nn3)cc2)cc1 ZINC001254163614 1040016151 /nfs/dbraw/zinc/01/61/51/1040016151.db2.gz SXUYQZQECQRTAC-UHFFFAOYSA-N 1 3 377.536 3.893 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[C@@H]1C ZINC001254369864 1040197576 /nfs/dbraw/zinc/19/75/76/1040197576.db2.gz WDJJKAQKJZNEOS-NNWRFLSQSA-N 1 3 386.584 3.555 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[C@@H]1C ZINC001254369864 1040197585 /nfs/dbraw/zinc/19/75/85/1040197585.db2.gz WDJJKAQKJZNEOS-NNWRFLSQSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](CN(C)C)Oc1cccc2c1[C@@]13CC[N@H+](CC4CC4)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC001234709633 1040242261 /nfs/dbraw/zinc/24/22/61/1040242261.db2.gz NHTYIKZMSLWPNX-AYALFZQESA-N 1 3 396.575 3.663 20 0 GHADHO C[C@H](CN(C)C)Oc1cccc2c1[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC001234709633 1040242277 /nfs/dbraw/zinc/24/22/77/1040242277.db2.gz NHTYIKZMSLWPNX-AYALFZQESA-N 1 3 396.575 3.663 20 0 GHADHO CC(C)CN1c2ccccc2C2(CCN([C@@H]3CCC[N@H+](C)CC3)CC2)CC1=O ZINC001254520936 1040296203 /nfs/dbraw/zinc/29/62/03/1040296203.db2.gz GQELQAUYEFAIIG-HXUWFJFHSA-N 1 3 383.580 3.897 20 0 GHADHO CC(C)CN1c2ccccc2C2(CCN([C@@H]3CCC[N@@H+](C)CC3)CC2)CC1=O ZINC001254520936 1040296213 /nfs/dbraw/zinc/29/62/13/1040296213.db2.gz GQELQAUYEFAIIG-HXUWFJFHSA-N 1 3 383.580 3.897 20 0 GHADHO [NH3+]C1(Cc2cccc(F)c2)CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254620520 1040391641 /nfs/dbraw/zinc/39/16/41/1040391641.db2.gz SFZCGPAMWQFNAF-UHFFFAOYSA-N 1 3 385.502 3.970 20 0 GHADHO CN1CC2(C1)CC[NH+]([C@@H]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)CC2 ZINC001254752083 1040513441 /nfs/dbraw/zinc/51/34/41/1040513441.db2.gz CWVJFNMNIBIUCH-GOSISDBHSA-N 1 3 377.573 3.584 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763589 1040523789 /nfs/dbraw/zinc/52/37/89/1040523789.db2.gz ALBUJDAQDBIMPF-ICSRJNTNSA-N 1 3 387.568 3.873 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763589 1040523804 /nfs/dbraw/zinc/52/38/04/1040523804.db2.gz ALBUJDAQDBIMPF-ICSRJNTNSA-N 1 3 387.568 3.873 20 0 GHADHO Cc1ncc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)cc1Br ZINC001235090065 1040577630 /nfs/dbraw/zinc/57/76/30/1040577630.db2.gz KDGDNQHFHMAXHT-UHFFFAOYSA-N 1 3 386.337 3.790 20 0 GHADHO Fc1cncc(Br)c1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235092838 1040583675 /nfs/dbraw/zinc/58/36/75/1040583675.db2.gz GZNOFTCNRDWJML-UHFFFAOYSA-N 1 3 390.300 3.620 20 0 GHADHO Brc1cc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)cc2c1OCO2 ZINC001235158131 1040650850 /nfs/dbraw/zinc/65/08/50/1040650850.db2.gz UWEPKHGOHKGTIL-MRXNPFEDSA-N 1 3 381.314 3.532 20 0 GHADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(Cc1cccc(F)c1Cl)C2 ZINC001235320853 1040791561 /nfs/dbraw/zinc/79/15/61/1040791561.db2.gz MPJXEOFENOHNFR-LAUBAEHRSA-N 1 3 394.918 3.624 20 0 GHADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(Cc1csc(Cl)c1)C2 ZINC001235322448 1040793696 /nfs/dbraw/zinc/79/36/96/1040793696.db2.gz XGDPAZYVQCVTHB-HNAYVOBHSA-N 1 3 382.957 3.546 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402583 1040988686 /nfs/dbraw/zinc/98/86/86/1040988686.db2.gz JUBCQUJUTQFFGR-LADGPHEKSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402583 1040988688 /nfs/dbraw/zinc/98/86/88/1040988688.db2.gz JUBCQUJUTQFFGR-LADGPHEKSA-N 1 3 383.580 3.764 20 0 GHADHO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235619519 1041042938 /nfs/dbraw/zinc/04/29/38/1041042938.db2.gz ZNWARCNEBDTKLX-DENIHFKCSA-N 1 3 398.595 3.577 20 0 GHADHO Fc1cccc(OC2CCN(Cc3cn4c5c3cccc5C[NH2+]CC4)CC2)c1 ZINC001235670782 1041125574 /nfs/dbraw/zinc/12/55/74/1041125574.db2.gz ZKKFRNDEZQIOAO-UHFFFAOYSA-N 1 3 379.479 3.927 20 0 GHADHO C[NH+](C)CC1(CN2CCN[C@H](c3cccc(Br)c3)C2)CCCC1 ZINC001235795774 1041296315 /nfs/dbraw/zinc/29/63/15/1041296315.db2.gz QBQOZTDKRSBFKJ-SFHVURJKSA-N 1 3 380.374 3.517 20 0 GHADHO COc1cccc(OC)c1CN1CCC([N@H+](CCCN)C2CCCCC2)CC1 ZINC001255921653 1041410027 /nfs/dbraw/zinc/41/00/27/1041410027.db2.gz JIEXYCJAMQFWIG-UHFFFAOYSA-N 1 3 389.584 3.652 20 0 GHADHO COc1cccc(OC)c1CN1CCC([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001255921653 1041410030 /nfs/dbraw/zinc/41/00/30/1041410030.db2.gz JIEXYCJAMQFWIG-UHFFFAOYSA-N 1 3 389.584 3.652 20 0 GHADHO CC[NH+](CC)CC[C@H](C)NC[C@]1(C)CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255945373 1041430387 /nfs/dbraw/zinc/43/03/87/1041430387.db2.gz DNFWLXOOVROYLD-LPHOPBHVSA-N 1 3 391.547 3.979 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)NC[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255947208 1041431660 /nfs/dbraw/zinc/43/16/60/1041431660.db2.gz PISYPRLQIOFHFD-RTBURBONSA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255947208 1041431674 /nfs/dbraw/zinc/43/16/74/1041431674.db2.gz PISYPRLQIOFHFD-RTBURBONSA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](N2Cc3cccc(F)c3C2=O)CC1 ZINC001255954361 1041433821 /nfs/dbraw/zinc/43/38/21/1041433821.db2.gz VJBBFDPJATZWBR-WDSOQIARSA-N 1 3 375.532 3.803 20 0 GHADHO Clc1ccc(Cn2cc(CN3C[C@H]4C[NH2+]CC[C@@H]4C3)c3ccccc32)cn1 ZINC001235935776 1041439802 /nfs/dbraw/zinc/43/98/02/1041439802.db2.gz FCYUWFMUEKRVAD-QZTJIDSGSA-N 1 3 380.923 3.779 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001255961948 1041441165 /nfs/dbraw/zinc/44/11/65/1041441165.db2.gz RAVGOHPHQBROBI-PMVMPFDFSA-N 1 3 389.584 3.590 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001255961948 1041441179 /nfs/dbraw/zinc/44/11/79/1041441179.db2.gz RAVGOHPHQBROBI-PMVMPFDFSA-N 1 3 389.584 3.590 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001255963634 1041445066 /nfs/dbraw/zinc/44/50/66/1041445066.db2.gz SBBDSPBHNAMOAZ-FPOVZHCZSA-N 1 3 394.554 3.735 20 0 GHADHO Fc1cc(F)cc(-c2n[nH]cc2CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235977576 1041481372 /nfs/dbraw/zinc/48/13/72/1041481372.db2.gz NAKKBVQJKILSTE-UHFFFAOYSA-N 1 3 394.469 3.992 20 0 GHADHO CCCN(C(=O)NCC[N@@H+]1CCC[C@H]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001256034209 1041485786 /nfs/dbraw/zinc/48/57/86/1041485786.db2.gz WSGFWYNBTMSPKT-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO CCCN(C(=O)NCC[N@H+]1CCC[C@H]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001256034209 1041485796 /nfs/dbraw/zinc/48/57/96/1041485796.db2.gz WSGFWYNBTMSPKT-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO COc1ccccc1Sc1ccc(CN2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC001236129627 1041557839 /nfs/dbraw/zinc/55/78/39/1041557839.db2.gz VYLAOSCZGDBOAU-UHFFFAOYSA-N 1 3 397.588 3.716 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)Cc3cccc(OC)c3)cc2)CC1 ZINC001256149765 1041589751 /nfs/dbraw/zinc/58/97/51/1041589751.db2.gz RCJXFBCVMDFTTD-FQEVSTJZSA-N 1 3 381.564 3.554 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236235902 1041636426 /nfs/dbraw/zinc/63/64/26/1041636426.db2.gz GHYJVXQJDYLODA-FCEUIQTBSA-N 1 3 399.579 3.571 20 0 GHADHO COc1ccc(C[N@H+](C[C@H](C)Cc2ccc3c(c2)OCO3)C2CCNCC2)cc1 ZINC001236439412 1041711036 /nfs/dbraw/zinc/71/10/36/1041711036.db2.gz FMRTWPKLELZWLH-GOSISDBHSA-N 1 3 396.531 3.857 20 0 GHADHO COc1ccc(C[N@@H+](C[C@H](C)Cc2ccc3c(c2)OCO3)C2CCNCC2)cc1 ZINC001236439412 1041711043 /nfs/dbraw/zinc/71/10/43/1041711043.db2.gz FMRTWPKLELZWLH-GOSISDBHSA-N 1 3 396.531 3.857 20 0 GHADHO CC(C)(C)C[N@H+](Cc1c[nH]c2ncc(Br)cc12)C1CCNCC1 ZINC001236458612 1041721283 /nfs/dbraw/zinc/72/12/83/1041721283.db2.gz ZLLCCNZFVKAPSW-UHFFFAOYSA-N 1 3 379.346 3.926 20 0 GHADHO CC(C)(C)C[N@@H+](Cc1c[nH]c2ncc(Br)cc12)C1CCNCC1 ZINC001236458612 1041721289 /nfs/dbraw/zinc/72/12/89/1041721289.db2.gz ZLLCCNZFVKAPSW-UHFFFAOYSA-N 1 3 379.346 3.926 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256461175 1041742964 /nfs/dbraw/zinc/74/29/64/1041742964.db2.gz IARZOAIBHLXRLE-HBFSDRIKSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256461175 1041742969 /nfs/dbraw/zinc/74/29/69/1041742969.db2.gz IARZOAIBHLXRLE-HBFSDRIKSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256461175 1041742973 /nfs/dbraw/zinc/74/29/73/1041742973.db2.gz IARZOAIBHLXRLE-HBFSDRIKSA-N 1 3 375.557 3.871 20 0 GHADHO COc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1[O-] ZINC001236550970 1041758587 /nfs/dbraw/zinc/75/85/87/1041758587.db2.gz GFBPFGBFDAUJNN-SHTZXODSSA-N 1 3 385.346 3.891 20 0 GHADHO COc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1[O-] ZINC001236550970 1041758590 /nfs/dbraw/zinc/75/85/90/1041758590.db2.gz GFBPFGBFDAUJNN-SHTZXODSSA-N 1 3 385.346 3.891 20 0 GHADHO COC(=O)/C=C/c1cc(F)c(CN(C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC001236572930 1041766931 /nfs/dbraw/zinc/76/69/31/1041766931.db2.gz RAVNMUZAQPSEGU-GKBXCCHVSA-N 1 3 378.463 3.775 20 0 GHADHO [NH3+][C@@H]1CCN(C2CCN(Cc3ccc(-c4ccccc4C(F)(F)F)o3)CC2)C1 ZINC001236616531 1041783952 /nfs/dbraw/zinc/78/39/52/1041783952.db2.gz PDDXENACPUJRBC-OAHLLOKOSA-N 1 3 393.453 3.963 20 0 GHADHO Cc1cc(CN2CCC(N3CC[C@@H]([NH3+])C3)CC2)c(OCc2ccccc2)cc1C ZINC001236621328 1041787749 /nfs/dbraw/zinc/78/77/49/1041787749.db2.gz KPYRQPZTHYFEKR-HSZRJFAPSA-N 1 3 393.575 3.880 20 0 GHADHO CCCN(Cc1ccc(Br)c2ccc(OC)nc12)C[C@H]1CC[NH2+]C1 ZINC001236845042 1041926214 /nfs/dbraw/zinc/92/62/14/1041926214.db2.gz YFRJCTZTGTVAOO-AWEZNQCLSA-N 1 3 392.341 3.827 20 0 GHADHO CC[C@@H](CCC(=O)OC)C[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001278104657 1042230315 /nfs/dbraw/zinc/23/03/15/1042230315.db2.gz KAZNESVCBIDRPB-INIZCTEOSA-N 1 3 378.479 3.706 20 0 GHADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(C[C@@H]4C(=O)NC4CCC4)CC3)cc21 ZINC001237876764 1042405405 /nfs/dbraw/zinc/40/54/05/1042405405.db2.gz ITLHIDRAPCIQII-JOCHJYFZSA-N 1 3 393.575 3.959 20 0 GHADHO COC(=O)C[C@H](Cc1ccccc1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001462638237 1070433918 /nfs/dbraw/zinc/43/39/18/1070433918.db2.gz NCQXPMATYONMGM-ZJZGAYNASA-N 1 3 392.543 3.804 20 0 GHADHO COC(=O)C[C@H](Cc1ccccc1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462638237 1070433921 /nfs/dbraw/zinc/43/39/21/1070433921.db2.gz NCQXPMATYONMGM-ZJZGAYNASA-N 1 3 392.543 3.804 20 0 GHADHO COC(=O)C[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001462638237 1070433927 /nfs/dbraw/zinc/43/39/27/1070433927.db2.gz NCQXPMATYONMGM-ZJZGAYNASA-N 1 3 392.543 3.804 20 0 GHADHO CN(C)CCN(C(=S)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001239460281 1042832626 /nfs/dbraw/zinc/83/26/26/1042832626.db2.gz BBNWNTUUZVIJLP-IBGZPJMESA-N 1 3 398.576 3.791 20 0 GHADHO CCn1c2ccccc2nc1N1CCC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256566784 1043539684 /nfs/dbraw/zinc/53/96/84/1043539684.db2.gz LUSZFBDUTAXLOJ-IBGZPJMESA-N 1 3 383.584 3.878 20 0 GHADHO CC(C)(C)OC(=O)N1CC(C2CCN(C3CC[NH+](C(C)(C)C)CC3)CC2)C1 ZINC001256569845 1043543246 /nfs/dbraw/zinc/54/32/46/1043543246.db2.gz QJSXXKOOASGBHI-UHFFFAOYSA-N 1 3 379.589 3.828 20 0 GHADHO CCOc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1C(F)(F)F ZINC001256687341 1043624331 /nfs/dbraw/zinc/62/43/31/1043624331.db2.gz SJKSVARQEAOCFD-UHFFFAOYSA-N 1 3 386.458 3.837 20 0 GHADHO COc1cccc(CC2([NH3+])CCN([C@H]3CCO[C@H](c4ccccc4)C3)CC2)c1 ZINC001256801167 1043658705 /nfs/dbraw/zinc/65/87/05/1043658705.db2.gz ROKXTMSGKLCVOH-GMAHTHKFSA-N 1 3 380.532 3.951 20 0 GHADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC001293053096 1044002873 /nfs/dbraw/zinc/00/28/73/1044002873.db2.gz XURBOYGAMAVUPD-FQEVSTJZSA-N 1 3 391.987 3.886 20 0 GHADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC001293053096 1044002883 /nfs/dbraw/zinc/00/28/83/1044002883.db2.gz XURBOYGAMAVUPD-FQEVSTJZSA-N 1 3 391.987 3.886 20 0 GHADHO Cc1cc(N2CCN(C3C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C3)CC2)cc[nH+]1 ZINC001257594855 1044079193 /nfs/dbraw/zinc/07/91/93/1044079193.db2.gz PULIHAZUKFHKHZ-ROUUACIJSA-N 1 3 388.556 3.689 20 0 GHADHO COc1ccc(C2(NC3CC[NH+](CCc4ccccc4)CC3)CCOCC2)cc1 ZINC001258137854 1044424265 /nfs/dbraw/zinc/42/42/65/1044424265.db2.gz OKFMPNMFWHIFFE-UHFFFAOYSA-N 1 3 394.559 3.998 20 0 GHADHO c1ccc(CC[NH+]2CCC(N3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001258142989 1044428750 /nfs/dbraw/zinc/42/87/50/1044428750.db2.gz JBEWPBBLCBOECO-LOSJGSFVSA-N 1 3 398.591 3.744 20 0 GHADHO CCC[NH+]1CCC(N2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)CC1 ZINC001258772908 1044757119 /nfs/dbraw/zinc/75/71/19/1044757119.db2.gz BUIUMUZNTCMNTO-FQEVSTJZSA-N 1 3 391.625 3.678 20 0 GHADHO COc1cc(C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H](C)CN)cc(OC)c1OC ZINC001258861508 1044800998 /nfs/dbraw/zinc/80/09/98/1044800998.db2.gz GBWXTTIJJFMTFX-MSOLQXFVSA-N 1 3 386.536 3.740 20 0 GHADHO COc1cc(C[C@H](C)[N@H+](Cc2ccccc2)C[C@H](C)CN)cc(OC)c1OC ZINC001258861508 1044801015 /nfs/dbraw/zinc/80/10/15/1044801015.db2.gz GBWXTTIJJFMTFX-MSOLQXFVSA-N 1 3 386.536 3.740 20 0 GHADHO O[C@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716838 1047116497 /nfs/dbraw/zinc/11/64/97/1047116497.db2.gz CXXZTDIWINTJEK-TZIWHRDSSA-N 1 3 388.939 3.582 20 0 GHADHO O[C@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716838 1047116504 /nfs/dbraw/zinc/11/65/04/1047116504.db2.gz CXXZTDIWINTJEK-TZIWHRDSSA-N 1 3 388.939 3.582 20 0 GHADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3cc(O)ccc3F)C[C@H]2CC1 ZINC001279190903 1047740439 /nfs/dbraw/zinc/74/04/39/1047740439.db2.gz LAULARHDEYDUHR-IYBDPMFKSA-N 1 3 375.513 3.640 20 0 GHADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3cc(O)ccc3F)C[C@H]2CC1 ZINC001279190903 1047740446 /nfs/dbraw/zinc/74/04/46/1047740446.db2.gz LAULARHDEYDUHR-IYBDPMFKSA-N 1 3 375.513 3.640 20 0 GHADHO Cc1nn(C)c(Cl)c1CN1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279413167 1047798264 /nfs/dbraw/zinc/79/82/64/1047798264.db2.gz VOIWAMVLYBSNPD-GASCZTMLSA-N 1 3 392.897 3.868 20 0 GHADHO Cc1nn(C)c(Cl)c1CN1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279413167 1047798269 /nfs/dbraw/zinc/79/82/69/1047798269.db2.gz VOIWAMVLYBSNPD-GASCZTMLSA-N 1 3 392.897 3.868 20 0 GHADHO Cc1cc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)cc(C)c1Br ZINC001279615110 1047870002 /nfs/dbraw/zinc/87/00/02/1047870002.db2.gz JHVUHYANECLVCA-UHFFFAOYSA-N 1 3 394.401 3.525 20 0 GHADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1cnccc1Cl)CC2 ZINC001279656119 1047897892 /nfs/dbraw/zinc/89/78/92/1047897892.db2.gz PWKANWVKKWTKOP-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1cnccc1Cl)CC2 ZINC001279656119 1047897902 /nfs/dbraw/zinc/89/79/02/1047897902.db2.gz PWKANWVKKWTKOP-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855316 1049637668 /nfs/dbraw/zinc/63/76/68/1049637668.db2.gz RLSZDIPEAQHGIH-VXKWHMMOSA-N 1 3 379.548 3.674 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855316 1049637670 /nfs/dbraw/zinc/63/76/70/1049637670.db2.gz RLSZDIPEAQHGIH-VXKWHMMOSA-N 1 3 379.548 3.674 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC001308293436 1049940105 /nfs/dbraw/zinc/94/01/05/1049940105.db2.gz UDCQEXTYZUMCEC-RBUKOAKNSA-N 1 3 394.401 3.876 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001308367113 1049959475 /nfs/dbraw/zinc/95/94/75/1049959475.db2.gz RIMWTZVZFSPOQV-QGZVFWFLSA-N 1 3 382.401 3.701 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001308367113 1049959476 /nfs/dbraw/zinc/95/94/76/1049959476.db2.gz RIMWTZVZFSPOQV-QGZVFWFLSA-N 1 3 382.401 3.701 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001308898341 1050147959 /nfs/dbraw/zinc/14/79/59/1050147959.db2.gz VCYPTKQGKWBWFD-LOCCHRAXSA-N 1 3 399.579 3.601 20 0 GHADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001312815595 1052879438 /nfs/dbraw/zinc/87/94/38/1052879438.db2.gz MDJWFBJVRYJASU-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001312998102 1052929929 /nfs/dbraw/zinc/92/99/29/1052929929.db2.gz GEXXIWJHHJWHMU-BDTNDASRSA-N 1 3 398.595 3.555 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001312998102 1052929931 /nfs/dbraw/zinc/92/99/31/1052929931.db2.gz GEXXIWJHHJWHMU-BDTNDASRSA-N 1 3 398.595 3.555 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001323809289 1057016779 /nfs/dbraw/zinc/01/67/79/1057016779.db2.gz NBTZZMHEUJIVAG-WOJBJXKFSA-N 1 3 392.975 3.603 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001323809289 1057016788 /nfs/dbraw/zinc/01/67/88/1057016788.db2.gz NBTZZMHEUJIVAG-WOJBJXKFSA-N 1 3 392.975 3.603 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC001323809286 1057016879 /nfs/dbraw/zinc/01/68/79/1057016879.db2.gz NBTZZMHEUJIVAG-PMACEKPBSA-N 1 3 392.975 3.603 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC001323809286 1057016882 /nfs/dbraw/zinc/01/68/82/1057016882.db2.gz NBTZZMHEUJIVAG-PMACEKPBSA-N 1 3 392.975 3.603 20 0 GHADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000849088278 1057589020 /nfs/dbraw/zinc/58/90/20/1057589020.db2.gz CBVZLVRYECLBNM-ROUUACIJSA-N 1 3 397.592 3.514 20 0 GHADHO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001455115967 1062013422 /nfs/dbraw/zinc/01/34/22/1062013422.db2.gz MPBVQCIJYYETSX-QFIPXVFZSA-N 1 3 392.547 3.918 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3c(F)ccc(C4OCCO4)c3Cl)C[C@@H]2C1 ZINC001352114011 1064846078 /nfs/dbraw/zinc/84/60/78/1064846078.db2.gz XMJNVXCVEKSNKO-QLFBSQMISA-N 1 3 382.907 3.687 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccccc3CC(F)(F)F)c2)CC1 ZINC001200046746 1065068613 /nfs/dbraw/zinc/06/86/13/1065068613.db2.gz WBJIGGCOERJNRZ-UHFFFAOYSA-N 1 3 391.481 3.829 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)N(C)C)cc1 ZINC001477650682 1078507988 /nfs/dbraw/zinc/50/79/88/1078507988.db2.gz OUEKNWYCPLHYBT-OIBXWCBGSA-N 1 3 396.579 3.897 20 0 GHADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001467804774 1067475922 /nfs/dbraw/zinc/47/59/22/1067475922.db2.gz NIHFJEJARMLIAD-YFNKSVMNSA-N 1 3 397.607 3.914 20 0 GHADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001467804774 1067475926 /nfs/dbraw/zinc/47/59/26/1067475926.db2.gz NIHFJEJARMLIAD-YFNKSVMNSA-N 1 3 397.607 3.914 20 0 GHADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC001468011337 1067563831 /nfs/dbraw/zinc/56/38/31/1067563831.db2.gz PCWUJTRIFGETLK-RTBURBONSA-N 1 3 394.629 3.941 20 0 GHADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC001468011337 1067563836 /nfs/dbraw/zinc/56/38/36/1067563836.db2.gz PCWUJTRIFGETLK-RTBURBONSA-N 1 3 394.629 3.941 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)N(C)C)cc1 ZINC001468350727 1067698196 /nfs/dbraw/zinc/69/81/96/1067698196.db2.gz KWUWEAWMSATNEG-YUXAGFNASA-N 1 3 382.552 3.588 20 0 GHADHO C[C@]1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCCN1Cc1ccccc1 ZINC000849097619 1067725786 /nfs/dbraw/zinc/72/57/86/1067725786.db2.gz BUQNBNFZIKYLTP-NZQKXSOJSA-N 1 3 378.520 3.679 20 0 GHADHO C[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000849101172 1067728592 /nfs/dbraw/zinc/72/85/92/1067728592.db2.gz SHWKJAOAKFDHPA-INIZCTEOSA-N 1 3 386.490 3.847 20 0 GHADHO CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001460556000 1068994665 /nfs/dbraw/zinc/99/46/65/1068994665.db2.gz QWIPGFILMOTQKW-DQEYMECFSA-N 1 3 393.575 3.893 20 0 GHADHO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001460556000 1068994667 /nfs/dbraw/zinc/99/46/67/1068994667.db2.gz QWIPGFILMOTQKW-DQEYMECFSA-N 1 3 393.575 3.893 20 0 GHADHO COc1cccc([C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)c1 ZINC001460668166 1069071801 /nfs/dbraw/zinc/07/18/01/1069071801.db2.gz RXZPFQABGKZFJI-DEOSSOPVSA-N 1 3 379.548 3.828 20 0 GHADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001478599454 1078930232 /nfs/dbraw/zinc/93/02/32/1078930232.db2.gz JYVKVIDDUHZJAP-UGKGYDQZSA-N 1 3 388.600 3.687 20 0 GHADHO C[N@H+](CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CCCCC1 ZINC001471104490 1072924334 /nfs/dbraw/zinc/92/43/34/1072924334.db2.gz XEXFXZWCCUZUTH-JOCHJYFZSA-N 1 3 386.584 3.605 20 0 GHADHO C[N@@H+](CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CCCCC1 ZINC001471104490 1072924339 /nfs/dbraw/zinc/92/43/39/1072924339.db2.gz XEXFXZWCCUZUTH-JOCHJYFZSA-N 1 3 386.584 3.605 20 0 GHADHO CC(C)(C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCC1 ZINC001472318619 1073418748 /nfs/dbraw/zinc/41/87/48/1073418748.db2.gz SVDPCOOXYDSRDD-FSSWDIPSSA-N 1 3 383.580 3.668 20 0 GHADHO CC(C)(C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCC1 ZINC001472318619 1073418756 /nfs/dbraw/zinc/41/87/56/1073418756.db2.gz SVDPCOOXYDSRDD-FSSWDIPSSA-N 1 3 383.580 3.668 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC001472468971 1073502149 /nfs/dbraw/zinc/50/21/49/1073502149.db2.gz HHZSZFWISBSZCU-OAQYLSRUSA-N 1 3 375.557 3.505 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC001472468971 1073502154 /nfs/dbraw/zinc/50/21/54/1073502154.db2.gz HHZSZFWISBSZCU-OAQYLSRUSA-N 1 3 375.557 3.505 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145181 1073807070 /nfs/dbraw/zinc/80/70/70/1073807070.db2.gz DWIZLLRBRZDAFR-UPVQGACJSA-N 1 3 393.575 3.880 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](CN1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145181 1073807073 /nfs/dbraw/zinc/80/70/73/1073807073.db2.gz DWIZLLRBRZDAFR-UPVQGACJSA-N 1 3 393.575 3.880 20 0 GHADHO CN1CCC[C@@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001473440867 1073964112 /nfs/dbraw/zinc/96/41/12/1073964112.db2.gz ZIEXOQWXYPPUMQ-HXUWFJFHSA-N 1 3 375.557 3.888 20 0 GHADHO CN1CCC[C@@H]1CC[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001473440867 1073964113 /nfs/dbraw/zinc/96/41/13/1073964113.db2.gz ZIEXOQWXYPPUMQ-HXUWFJFHSA-N 1 3 375.557 3.888 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC(c2ccnc3ccccc32)CC1 ZINC001473486991 1073985445 /nfs/dbraw/zinc/98/54/45/1073985445.db2.gz WPVKRZUGBOQEBF-JOCHJYFZSA-N 1 3 389.543 3.907 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC(c2ccnc3ccccc32)CC1 ZINC001473486991 1073985447 /nfs/dbraw/zinc/98/54/47/1073985447.db2.gz WPVKRZUGBOQEBF-JOCHJYFZSA-N 1 3 389.543 3.907 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)cc2)CC1 ZINC001473936442 1074211457 /nfs/dbraw/zinc/21/14/57/1074211457.db2.gz UXHVYVPTBYZRHF-ARJAWSKDSA-N 1 3 385.502 3.905 20 0 GHADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC001550422445 1126206282 /nfs/dbraw/zinc/20/62/82/1126206282.db2.gz WHYAVQXYYWHMHH-IWFBPKFRSA-N 1 3 389.540 3.519 20 0 GHADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC001550422445 1126206283 /nfs/dbraw/zinc/20/62/83/1126206283.db2.gz WHYAVQXYYWHMHH-IWFBPKFRSA-N 1 3 389.540 3.519 20 0 GHADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000824764203 608208103 /nfs/dbraw/zinc/20/81/03/608208103.db2.gz UIJZMUJAFJNUFW-QGZVFWFLSA-N 1 3 391.523 3.561 20 0 GHADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000824764203 608208104 /nfs/dbraw/zinc/20/81/04/608208104.db2.gz UIJZMUJAFJNUFW-QGZVFWFLSA-N 1 3 391.523 3.561 20 0 GHADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000824764203 608208105 /nfs/dbraw/zinc/20/81/05/608208105.db2.gz UIJZMUJAFJNUFW-QGZVFWFLSA-N 1 3 391.523 3.561 20 0 GHADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000824764203 608208106 /nfs/dbraw/zinc/20/81/06/608208106.db2.gz UIJZMUJAFJNUFW-QGZVFWFLSA-N 1 3 391.523 3.561 20 0 GHADHO c1cc2c(cc1-c1nnn[n-]1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000826517426 608516947 /nfs/dbraw/zinc/51/69/47/608516947.db2.gz BTTMPWKAFDYWII-GZNCHQMQSA-N 1 3 380.540 3.631 20 0 GHADHO c1cc2c(cc1-c1nn[n-]n1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000826517426 608516949 /nfs/dbraw/zinc/51/69/49/608516949.db2.gz BTTMPWKAFDYWII-GZNCHQMQSA-N 1 3 380.540 3.631 20 0 GHADHO FC(F)(F)c1ccn(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)n1 ZINC000613266650 837489029 /nfs/dbraw/zinc/48/90/29/837489029.db2.gz RZWDEPCPFNZQKL-UHFFFAOYSA-N 1 3 378.442 3.855 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431795790 837570500 /nfs/dbraw/zinc/57/05/00/837570500.db2.gz QSCZBADENDAMAV-NZQKXSOJSA-N 1 3 379.548 3.802 20 0 GHADHO CCOc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1OC(F)F ZINC000650722380 834689733 /nfs/dbraw/zinc/68/97/33/834689733.db2.gz RFDAFSMOAHARGT-NUJGCVRESA-N 1 3 384.467 3.548 20 0 GHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000685454778 835026053 /nfs/dbraw/zinc/02/60/53/835026053.db2.gz NECKWALXQVUNOU-UHFFFAOYSA-N 1 3 397.611 3.628 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000658074091 835399488 /nfs/dbraw/zinc/39/94/88/835399488.db2.gz RKBYXMMHOTVQEL-ISJGIBHGSA-N 1 3 391.559 3.713 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000658074091 835399499 /nfs/dbraw/zinc/39/94/99/835399499.db2.gz RKBYXMMHOTVQEL-ISJGIBHGSA-N 1 3 391.559 3.713 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000151381114 835402454 /nfs/dbraw/zinc/40/24/54/835402454.db2.gz JBWRXCBWPVKBCQ-UHFFFAOYSA-N 1 3 397.611 3.595 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCCS2 ZINC000658142578 835453839 /nfs/dbraw/zinc/45/38/39/835453839.db2.gz YOYWOPNNEPNSAY-KNQAVFIVSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCS2 ZINC000658142578 835453842 /nfs/dbraw/zinc/45/38/42/835453842.db2.gz YOYWOPNNEPNSAY-KNQAVFIVSA-N 1 3 398.572 3.979 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139201 835466672 /nfs/dbraw/zinc/46/66/72/835466672.db2.gz PJPAVJLWAMDAJT-GUYCJALGSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139201 835466675 /nfs/dbraw/zinc/46/66/75/835466675.db2.gz PJPAVJLWAMDAJT-GUYCJALGSA-N 1 3 395.366 3.928 20 0 GHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658140729 835467167 /nfs/dbraw/zinc/46/71/67/835467167.db2.gz QUYWMRLIFINCLD-GMAHTHKFSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658140729 835467171 /nfs/dbraw/zinc/46/71/71/835467171.db2.gz QUYWMRLIFINCLD-GMAHTHKFSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163849 835479734 /nfs/dbraw/zinc/47/97/34/835479734.db2.gz BSOKEWAEFVDZFW-LJQANCHMSA-N 1 3 380.536 3.609 20 0 GHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000658166646 835481184 /nfs/dbraw/zinc/48/11/84/835481184.db2.gz KIURRGXUBIIFIE-HXUWFJFHSA-N 1 3 394.563 3.917 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000658168743 835483568 /nfs/dbraw/zinc/48/35/68/835483568.db2.gz YHMOGUUXBSOGST-IBGZPJMESA-N 1 3 375.520 3.830 20 0 GHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC000658291330 835557380 /nfs/dbraw/zinc/55/73/80/835557380.db2.gz YCWGHNDVFZBAIM-NHCUHLMSSA-N 1 3 391.644 3.899 20 0 GHADHO CCc1cccc(C)c1NC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000274830768 835669690 /nfs/dbraw/zinc/66/96/90/835669690.db2.gz MFIYLWDNIGXZKH-KNQAVFIVSA-N 1 3 379.548 3.996 20 0 GHADHO COc1cccc([C@H](NCC2CC[NH+](CCO)CC2)c2ccccc2Cl)c1 ZINC000180486436 836179205 /nfs/dbraw/zinc/17/92/05/836179205.db2.gz QIKSHGZLPUUNMO-QFIPXVFZSA-N 1 3 388.939 3.732 20 0 GHADHO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483517 844154936 /nfs/dbraw/zinc/15/49/36/844154936.db2.gz BSENCGMYQNBULP-IRLDBZIGSA-N 1 3 387.637 3.848 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000892584314 836771766 /nfs/dbraw/zinc/77/17/66/836771766.db2.gz IZUAAICEEOPHCF-INIZCTEOSA-N 1 3 379.549 3.511 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000892584314 836771774 /nfs/dbraw/zinc/77/17/74/836771774.db2.gz IZUAAICEEOPHCF-INIZCTEOSA-N 1 3 379.549 3.511 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000511394149 836927501 /nfs/dbraw/zinc/92/75/01/836927501.db2.gz BECRSWVLEUZEEV-COPCDDAFSA-N 1 3 394.003 3.956 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000511394149 836927514 /nfs/dbraw/zinc/92/75/14/836927514.db2.gz BECRSWVLEUZEEV-COPCDDAFSA-N 1 3 394.003 3.956 20 0 GHADHO Cc1c([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cnn1C(C)(C)C ZINC000414292803 836937632 /nfs/dbraw/zinc/93/76/32/836937632.db2.gz AVYVHJTXGIWFDG-GOSISDBHSA-N 1 3 384.568 3.624 20 0 GHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119900700 836967363 /nfs/dbraw/zinc/96/73/63/836967363.db2.gz VDQFYRKUYZTFNH-ZNEHSRBWSA-N 1 3 390.881 3.651 20 0 GHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119900700 836967367 /nfs/dbraw/zinc/96/73/67/836967367.db2.gz VDQFYRKUYZTFNH-ZNEHSRBWSA-N 1 3 390.881 3.651 20 0 GHADHO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCCN3CCCC3)cc1)[C@@H](C)C2 ZINC000180905744 844228699 /nfs/dbraw/zinc/22/86/99/844228699.db2.gz KJHIYFKNZLLWAM-YADARESESA-N 1 3 391.559 3.844 20 0 GHADHO OC1(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CCN(Cc2ccccc2)CC1 ZINC000414314473 837057388 /nfs/dbraw/zinc/05/73/88/837057388.db2.gz ZVTWMPGTHIABJM-NRFANRHFSA-N 1 3 384.495 3.656 20 0 GHADHO OC1(CN[C@H]2CCCOc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414314473 837057398 /nfs/dbraw/zinc/05/73/98/837057398.db2.gz ZVTWMPGTHIABJM-NRFANRHFSA-N 1 3 384.495 3.656 20 0 GHADHO Cc1cc([C@@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc(C)c1F ZINC000414327496 837144242 /nfs/dbraw/zinc/14/42/42/837144242.db2.gz ORSSQWKATVAACW-GOSISDBHSA-N 1 3 397.538 3.991 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659284686 838208147 /nfs/dbraw/zinc/20/81/47/838208147.db2.gz LZZWPDDLHWKCLI-ZCYQVOJMSA-N 1 3 389.543 3.736 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659284686 838208153 /nfs/dbraw/zinc/20/81/53/838208153.db2.gz LZZWPDDLHWKCLI-ZCYQVOJMSA-N 1 3 389.543 3.736 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000659285318 838210129 /nfs/dbraw/zinc/21/01/29/838210129.db2.gz TXPCAVXLQRQIRC-VYTWWXLVSA-N 1 3 375.516 3.533 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000659285318 838210137 /nfs/dbraw/zinc/21/01/37/838210137.db2.gz TXPCAVXLQRQIRC-VYTWWXLVSA-N 1 3 375.516 3.533 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C(C)(C)C)C[C@@H]3C)CC2)CC1 ZINC000579976659 838240187 /nfs/dbraw/zinc/24/01/87/838240187.db2.gz NPLBCAAJPOPPEQ-AZUAARDMSA-N 1 3 377.617 3.856 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000659318048 838277476 /nfs/dbraw/zinc/27/74/76/838277476.db2.gz YISBBNCPKZFDQC-HSZRJFAPSA-N 1 3 389.543 3.736 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000659318048 838277484 /nfs/dbraw/zinc/27/74/84/838277484.db2.gz YISBBNCPKZFDQC-HSZRJFAPSA-N 1 3 389.543 3.736 20 0 GHADHO CN1CC[C@@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000415973079 838331489 /nfs/dbraw/zinc/33/14/89/838331489.db2.gz PZYYYVFIVZWQAM-MSOLQXFVSA-N 1 3 392.425 3.731 20 0 GHADHO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000376683149 838623262 /nfs/dbraw/zinc/62/32/62/838623262.db2.gz WUSOSTFKXISPMX-NAQMCUANSA-N 1 3 380.536 3.518 20 0 GHADHO [NH3+]C1(CNCc2cnc(C3CCCC3)s2)CCN(Cc2ccccc2)CC1 ZINC000415126470 839233397 /nfs/dbraw/zinc/23/33/97/839233397.db2.gz GUDYULBRHMARJG-UHFFFAOYSA-N 1 3 384.593 3.884 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000580478052 839638816 /nfs/dbraw/zinc/63/88/16/839638816.db2.gz MMPWQXDOQFFIST-LJQANCHMSA-N 1 3 376.541 3.813 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759849972 840187021 /nfs/dbraw/zinc/18/70/21/840187021.db2.gz KNNSUQSVAVSQDC-FQEVSTJZSA-N 1 3 386.939 3.583 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759849972 840187025 /nfs/dbraw/zinc/18/70/25/840187025.db2.gz KNNSUQSVAVSQDC-FQEVSTJZSA-N 1 3 386.939 3.583 20 0 GHADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000416827528 840204333 /nfs/dbraw/zinc/20/43/33/840204333.db2.gz CVLPPUJMEQCXRI-LJQANCHMSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000418480361 840296948 /nfs/dbraw/zinc/29/69/48/840296948.db2.gz CGHLEHNXHIHNTO-AVRDEDQJSA-N 1 3 380.536 3.512 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511661416 840360967 /nfs/dbraw/zinc/36/09/67/840360967.db2.gz DFSYQYVJGFCUFM-NHCUHLMSSA-N 1 3 397.588 3.913 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511661416 840360978 /nfs/dbraw/zinc/36/09/78/840360978.db2.gz DFSYQYVJGFCUFM-NHCUHLMSSA-N 1 3 397.588 3.913 20 0 GHADHO CC[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417009080 840364441 /nfs/dbraw/zinc/36/44/41/840364441.db2.gz JWURGYAMEXBNBF-GOTSBHOMSA-N 1 3 394.563 3.603 20 0 GHADHO CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000417784253 841195287 /nfs/dbraw/zinc/19/52/87/841195287.db2.gz BYGSURGKLORNRC-VWLOTQADSA-N 1 3 391.559 3.877 20 0 GHADHO CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000417784253 841195294 /nfs/dbraw/zinc/19/52/94/841195294.db2.gz BYGSURGKLORNRC-VWLOTQADSA-N 1 3 391.559 3.877 20 0 GHADHO C[C@H](N)[C@@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1 ZINC000925659312 841656109 /nfs/dbraw/zinc/65/61/09/841656109.db2.gz LRNXTXSFFKZYPX-FDDCHVKYSA-N 1 3 390.531 3.984 20 0 GHADHO CCOC(=O)c1csc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000276487012 842003825 /nfs/dbraw/zinc/00/38/25/842003825.db2.gz GZAKICAMYLHWKO-FUHWJXTLSA-N 1 3 387.549 3.505 20 0 GHADHO CCOC(=O)c1csc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000276487012 842003833 /nfs/dbraw/zinc/00/38/33/842003833.db2.gz GZAKICAMYLHWKO-FUHWJXTLSA-N 1 3 387.549 3.505 20 0 GHADHO CCOC(=O)c1csc(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000276487017 842004070 /nfs/dbraw/zinc/00/40/70/842004070.db2.gz GZAKICAMYLHWKO-WMZOPIPTSA-N 1 3 387.549 3.505 20 0 GHADHO CCOC(=O)c1csc(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000276487017 842004083 /nfs/dbraw/zinc/00/40/83/842004083.db2.gz GZAKICAMYLHWKO-WMZOPIPTSA-N 1 3 387.549 3.505 20 0 GHADHO COc1cc(CNCCC[N@@H+]2CCCO[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000432358234 842168262 /nfs/dbraw/zinc/16/82/62/842168262.db2.gz LGZOVPQRRUNJAC-LJQANCHMSA-N 1 3 398.547 3.961 20 0 GHADHO COc1cc(CNCCC[N@H+]2CCCO[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000432358234 842168267 /nfs/dbraw/zinc/16/82/67/842168267.db2.gz LGZOVPQRRUNJAC-LJQANCHMSA-N 1 3 398.547 3.961 20 0 GHADHO C[C@H]1C[N@H+](CCCNCc2ccc(Br)c3cccnc23)CCCO1 ZINC000432363022 842235528 /nfs/dbraw/zinc/23/55/28/842235528.db2.gz RNARUGXGBXGCTL-HNNXBMFYSA-N 1 3 392.341 3.588 20 0 GHADHO C[C@H]1C[N@@H+](CCCNCc2ccc(Br)c3cccnc23)CCCO1 ZINC000432363022 842235540 /nfs/dbraw/zinc/23/55/40/842235540.db2.gz RNARUGXGBXGCTL-HNNXBMFYSA-N 1 3 392.341 3.588 20 0 GHADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448281 842238761 /nfs/dbraw/zinc/23/87/61/842238761.db2.gz SEKFZISHBARYFL-HNAYVOBHSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448281 842238770 /nfs/dbraw/zinc/23/87/70/842238770.db2.gz SEKFZISHBARYFL-HNAYVOBHSA-N 1 3 381.358 3.917 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)N1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001167835222 842303686 /nfs/dbraw/zinc/30/36/86/842303686.db2.gz PHNJJKSLWMJRSE-GOSISDBHSA-N 1 3 380.598 3.780 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000512177685 842760798 /nfs/dbraw/zinc/76/07/98/842760798.db2.gz DOWHDBYEUONUES-RUZDIDTESA-N 1 3 395.591 3.898 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccsc1 ZINC000430756520 842940034 /nfs/dbraw/zinc/94/00/34/842940034.db2.gz UBBKAPLSZPSIQI-NRFANRHFSA-N 1 3 398.576 3.865 20 0 GHADHO C[C@@H]1CCCN(Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1CCC[NH3+] ZINC000662313603 843135366 /nfs/dbraw/zinc/13/53/66/843135366.db2.gz JHTMPQAGSLKZKC-CZUORRHYSA-N 1 3 393.329 3.839 20 0 GHADHO FC(F)Oc1ccc(Br)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430908652 843166249 /nfs/dbraw/zinc/16/62/49/843166249.db2.gz KJOOXKDHELNJBV-UHFFFAOYSA-N 1 3 375.257 3.626 20 0 GHADHO CN(C)C(=O)c1cccc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471876835 843167936 /nfs/dbraw/zinc/16/79/36/843167936.db2.gz ZHBJSAJDQLQZPL-DHIUTWEWSA-N 1 3 379.548 3.561 20 0 GHADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000662484488 843322843 /nfs/dbraw/zinc/32/28/43/843322843.db2.gz LFNQLUDMYDCAMY-VGSWGCGISA-N 1 3 379.504 3.580 20 0 GHADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000662484488 843322857 /nfs/dbraw/zinc/32/28/57/843322857.db2.gz LFNQLUDMYDCAMY-VGSWGCGISA-N 1 3 379.504 3.580 20 0 GHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000092426241 843827656 /nfs/dbraw/zinc/82/76/56/843827656.db2.gz INXIJDPVNNQZPY-UHFFFAOYSA-N 1 3 397.563 3.863 20 0 GHADHO C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000500727269 843894369 /nfs/dbraw/zinc/89/43/69/843894369.db2.gz AZVBYEFOZYUBCE-TZIWHRDSSA-N 1 3 398.595 3.523 20 0 GHADHO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000237403885 843938106 /nfs/dbraw/zinc/93/81/06/843938106.db2.gz ZGGUOTDSPIIZOX-IAGOWNOFSA-N 1 3 390.959 3.813 20 0 GHADHO CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2CN(C)C)c2ccccc2)CC1 ZINC000433308808 844006638 /nfs/dbraw/zinc/00/66/38/844006638.db2.gz VOHLCSAKFAHXBA-QHCPKHFHSA-N 1 3 379.548 3.951 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(OC)c(OCC)c2)CC1 ZINC000152160455 844917275 /nfs/dbraw/zinc/91/72/75/844917275.db2.gz AHMUYUOELPMPGT-UHFFFAOYSA-N 1 3 397.563 3.916 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512666821 844966813 /nfs/dbraw/zinc/96/68/13/844966813.db2.gz MPLBTFLZZDWKOA-CXSMSNRLSA-N 1 3 378.560 3.728 20 0 GHADHO c1c2ccccc2oc1CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512701139 845087892 /nfs/dbraw/zinc/08/78/92/845087892.db2.gz JBHDIJDMSBLGTH-FQEVSTJZSA-N 1 3 390.531 3.862 20 0 GHADHO CN(Cc1ccccc1)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433132373 845465192 /nfs/dbraw/zinc/46/51/92/845465192.db2.gz XENAINWZLTZATA-UHFFFAOYSA-N 1 3 391.559 3.633 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000156914071 845754191 /nfs/dbraw/zinc/75/41/91/845754191.db2.gz VWCIURBQYSHPCK-JTHBVZDNSA-N 1 3 395.547 3.633 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000156914071 845754195 /nfs/dbraw/zinc/75/41/95/845754195.db2.gz VWCIURBQYSHPCK-JTHBVZDNSA-N 1 3 395.547 3.633 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472144165 846159519 /nfs/dbraw/zinc/15/95/19/846159519.db2.gz MZYFVNIMDVWDOM-RTBURBONSA-N 1 3 385.552 3.551 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3cccc(C4CC4)c3)cc2)CC1 ZINC000421374666 846185186 /nfs/dbraw/zinc/18/51/86/846185186.db2.gz BOVGQVFFPRJCFB-UHFFFAOYSA-N 1 3 377.532 3.551 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNCc3ccnn3-c3ccncc3)c2)CC1 ZINC000657350067 846445561 /nfs/dbraw/zinc/44/55/61/846445561.db2.gz ZKBBAVXMVSSPBO-UHFFFAOYSA-N 1 3 375.520 3.789 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000501161801 846693318 /nfs/dbraw/zinc/69/33/18/846693318.db2.gz GNWFBKFCHUZPCY-PMACEKPBSA-N 1 3 388.581 3.733 20 0 GHADHO CC[C@@H](C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000502998883 846698440 /nfs/dbraw/zinc/69/84/40/846698440.db2.gz UACDQBHCAXQWCE-NRFANRHFSA-N 1 3 379.548 3.796 20 0 GHADHO C[N@H+](CCC(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CCCCC1 ZINC000548717151 846759253 /nfs/dbraw/zinc/75/92/53/846759253.db2.gz DBWYZWBENOHLLK-UHFFFAOYSA-N 1 3 389.609 3.871 20 0 GHADHO C[N@@H+](CCC(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CCCCC1 ZINC000548717151 846759259 /nfs/dbraw/zinc/75/92/59/846759259.db2.gz DBWYZWBENOHLLK-UHFFFAOYSA-N 1 3 389.609 3.871 20 0 GHADHO Cc1ccc(CNCc2ccnn2-c2cc[nH+]cc2)c(OCC(F)(F)F)c1 ZINC000657396057 846914687 /nfs/dbraw/zinc/91/46/87/846914687.db2.gz FEABESGBDKRWRO-UHFFFAOYSA-N 1 3 376.382 3.807 20 0 GHADHO COc1sc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1Br ZINC000647249026 846947850 /nfs/dbraw/zinc/94/78/50/846947850.db2.gz YAWFSJSWNGYHHI-ZBFHGGJFSA-N 1 3 395.366 3.954 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000582368847 846969310 /nfs/dbraw/zinc/96/93/10/846969310.db2.gz SRSSWEPWPPCAFT-NHCUHLMSSA-N 1 3 377.617 3.904 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272293595 847040303 /nfs/dbraw/zinc/04/03/03/847040303.db2.gz FQMMWDJCDFTKLX-UEXGIBASSA-N 1 3 377.532 3.767 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272293595 847040309 /nfs/dbraw/zinc/04/03/09/847040309.db2.gz FQMMWDJCDFTKLX-UEXGIBASSA-N 1 3 377.532 3.767 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000501755928 847166184 /nfs/dbraw/zinc/16/61/84/847166184.db2.gz MXHXTYSJLNUAHJ-OTWHNJEPSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000501755928 847166194 /nfs/dbraw/zinc/16/61/94/847166194.db2.gz MXHXTYSJLNUAHJ-OTWHNJEPSA-N 1 3 392.613 3.552 20 0 GHADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC(c1ccccc1)c1ccccc1 ZINC000420407883 847170106 /nfs/dbraw/zinc/17/01/06/847170106.db2.gz VSQSACWPLSPGFY-DHIUTWEWSA-N 1 3 391.559 3.746 20 0 GHADHO CN(CCN(Cc1ccccc1)C(=O)[C@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000237133609 847417926 /nfs/dbraw/zinc/41/79/26/847417926.db2.gz DIPLNMKARQBNLE-HSZRJFAPSA-N 1 3 391.559 3.537 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422703962 847775389 /nfs/dbraw/zinc/77/53/89/847775389.db2.gz JMKNNJSEGVDNLQ-GOEBONIOSA-N 1 3 389.341 3.541 20 0 GHADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422796272 847826990 /nfs/dbraw/zinc/82/69/90/847826990.db2.gz YABVNJQLRPLIDU-WQTXXOFMSA-N 1 3 394.494 3.520 20 0 GHADHO COC[C@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000422946836 847910649 /nfs/dbraw/zinc/91/06/49/847910649.db2.gz PJRVLABXVUMDCW-RBUKOAKNSA-N 1 3 377.326 3.882 20 0 GHADHO FC(F)(F)c1cccc(OCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422950710 847912009 /nfs/dbraw/zinc/91/20/09/847912009.db2.gz WOHVUOOKYLJHEJ-QUCCMNQESA-N 1 3 392.421 3.930 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1CN(C)Cc1ccco1 ZINC000423009366 847936204 /nfs/dbraw/zinc/93/62/04/847936204.db2.gz VJWWRCFRCDTSHW-YADARESESA-N 1 3 377.532 3.960 20 0 GHADHO Clc1ccc(-c2nc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000423016491 847938370 /nfs/dbraw/zinc/93/83/70/847938370.db2.gz TVAHJSYCOSOTED-GBESFXJTSA-N 1 3 391.968 3.753 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423087679 847973958 /nfs/dbraw/zinc/97/39/58/847973958.db2.gz OPKURLUUQYACSB-YOEHRIQHSA-N 1 3 389.341 3.541 20 0 GHADHO Cc1cc(Br)ccc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595310 848287271 /nfs/dbraw/zinc/28/72/71/848287271.db2.gz ONPMKQSJPIARRN-HXUWFJFHSA-N 1 3 389.337 3.614 20 0 GHADHO Cc1cc(Br)ccc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595310 848287280 /nfs/dbraw/zinc/28/72/80/848287280.db2.gz ONPMKQSJPIARRN-HXUWFJFHSA-N 1 3 389.337 3.614 20 0 GHADHO CC1(C)C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN1Cc1ccccc1 ZINC000657613487 848327028 /nfs/dbraw/zinc/32/70/28/848327028.db2.gz LHAVMTDZPULLFG-XMMPIXPASA-N 1 3 392.591 3.936 20 0 GHADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604179986 861937244 /nfs/dbraw/zinc/93/72/44/861937244.db2.gz YPAKVPGHNWVBAH-KCZVDYSFSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604179986 861937257 /nfs/dbraw/zinc/93/72/57/861937257.db2.gz YPAKVPGHNWVBAH-KCZVDYSFSA-N 1 3 386.584 3.633 20 0 GHADHO COc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1OC ZINC000423135531 849768471 /nfs/dbraw/zinc/76/84/71/849768471.db2.gz YGWGDHIAXFRYRB-NVVBAYIOSA-N 1 3 382.504 3.919 20 0 GHADHO COC[C@H](CCC[NH3+])NC1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000423144329 849774606 /nfs/dbraw/zinc/77/46/06/849774606.db2.gz GTANFAVYMQYESF-HNNXBMFYSA-N 1 3 377.529 3.980 20 0 GHADHO C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000434894186 849863587 /nfs/dbraw/zinc/86/35/87/849863587.db2.gz FTEDDIQGTXWXNP-RDPSFJRHSA-N 1 3 391.559 3.777 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](C)Cc2ccc(OC)c(OC)c2C)cc1 ZINC000423332466 849869429 /nfs/dbraw/zinc/86/94/29/849869429.db2.gz NKSAPDOCEXJIIW-URZJWIJPSA-N 1 3 398.547 3.687 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000513807326 849885406 /nfs/dbraw/zinc/88/54/06/849885406.db2.gz ZGRIAUMQNQCOGQ-HSZRJFAPSA-N 1 3 379.548 3.875 20 0 GHADHO COc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423479862 849941678 /nfs/dbraw/zinc/94/16/78/849941678.db2.gz VIKLKGIEZWDQAE-IMFGXOCKSA-N 1 3 399.510 3.534 20 0 GHADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000423553436 849979027 /nfs/dbraw/zinc/97/90/27/849979027.db2.gz GWEWPXKKHUADBM-OAHLLOKOSA-N 1 3 377.454 3.748 20 0 GHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(OCCC[NH3+])CC2)o1 ZINC000435373077 850422084 /nfs/dbraw/zinc/42/20/84/850422084.db2.gz LUYWDTUYCXLIPN-UHFFFAOYSA-N 1 3 394.519 3.771 20 0 GHADHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OCc1ccccc1 ZINC000414803360 850583094 /nfs/dbraw/zinc/58/30/94/850583094.db2.gz NRMVZUDWGGYPHF-VQTJNVASSA-N 1 3 384.520 3.890 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000519141903 850662730 /nfs/dbraw/zinc/66/27/30/850662730.db2.gz SNGKSDIATSNFLA-NZQKXSOJSA-N 1 3 382.548 3.858 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168372886 850730475 /nfs/dbraw/zinc/73/04/75/850730475.db2.gz NJWWAGAINSAIGO-JOCHJYFZSA-N 1 3 377.573 3.726 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168372886 850730482 /nfs/dbraw/zinc/73/04/82/850730482.db2.gz NJWWAGAINSAIGO-JOCHJYFZSA-N 1 3 377.573 3.726 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccco1 ZINC000487773777 850901159 /nfs/dbraw/zinc/90/11/59/850901159.db2.gz YWDYUVIUCNPIOM-XLIONFOSSA-N 1 3 390.572 3.663 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)N2CCCC2)cc1 ZINC000513895401 850987197 /nfs/dbraw/zinc/98/71/97/850987197.db2.gz DIXSWKJMXKLMNH-FQEVSTJZSA-N 1 3 386.584 3.740 20 0 GHADHO CO[C@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000513903215 850995340 /nfs/dbraw/zinc/99/53/40/850995340.db2.gz BRAJUUKRGOTXGL-CBGDNZLLSA-N 1 3 380.960 3.849 20 0 GHADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000487973207 851038386 /nfs/dbraw/zinc/03/83/86/851038386.db2.gz GRKGFADUNFNXAQ-UHFFFAOYSA-N 1 3 383.536 3.637 20 0 GHADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000111240809 851578184 /nfs/dbraw/zinc/57/81/84/851578184.db2.gz MWWFFCVXSWBTTG-INIZCTEOSA-N 1 3 375.340 3.539 20 0 GHADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000111240809 851578188 /nfs/dbraw/zinc/57/81/88/851578188.db2.gz MWWFFCVXSWBTTG-INIZCTEOSA-N 1 3 375.340 3.539 20 0 GHADHO Oc1ccc(Br)c(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167982068 852055307 /nfs/dbraw/zinc/05/53/07/852055307.db2.gz VDNYKKCJQDAAQA-ALOPSCKCSA-N 1 3 379.342 3.692 20 0 GHADHO Oc1ccc(Br)c(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167982068 852055314 /nfs/dbraw/zinc/05/53/14/852055314.db2.gz VDNYKKCJQDAAQA-ALOPSCKCSA-N 1 3 379.342 3.692 20 0 GHADHO CN(Cc1cc2ccnc(Cl)c2s1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894768956 852135139 /nfs/dbraw/zinc/13/51/39/852135139.db2.gz AEQRHSDSOQICPR-MRXNPFEDSA-N 1 3 378.973 3.550 20 0 GHADHO CN(Cc1cc2ccnc(Cl)c2s1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894768956 852135145 /nfs/dbraw/zinc/13/51/45/852135145.db2.gz AEQRHSDSOQICPR-MRXNPFEDSA-N 1 3 378.973 3.550 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H](C(C)C)CC3)CC2)CC1 ZINC000570460385 852364053 /nfs/dbraw/zinc/36/40/53/852364053.db2.gz SVDFUWRKPQHQBF-PZJWPPBQSA-N 1 3 377.617 3.904 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000427269113 852919101 /nfs/dbraw/zinc/91/91/01/852919101.db2.gz GRVJXEPYOSRPHS-LPHOPBHVSA-N 1 3 399.501 3.984 20 0 GHADHO CN(C[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001167985786 852923114 /nfs/dbraw/zinc/92/31/14/852923114.db2.gz ZXKLVAHRGAXTCO-MQEZQYLSSA-N 1 3 391.600 3.971 20 0 GHADHO CN(C[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001167985786 852923120 /nfs/dbraw/zinc/92/31/20/852923120.db2.gz ZXKLVAHRGAXTCO-MQEZQYLSSA-N 1 3 391.600 3.971 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506054997 853177130 /nfs/dbraw/zinc/17/71/30/853177130.db2.gz GMERDLPBHYMELH-UYAOXDASSA-N 1 3 393.522 3.525 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506054997 853177136 /nfs/dbraw/zinc/17/71/36/853177136.db2.gz GMERDLPBHYMELH-UYAOXDASSA-N 1 3 393.522 3.525 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccc4c(c3)CCCC4)c2)C1 ZINC000490843160 853305874 /nfs/dbraw/zinc/30/58/74/853305874.db2.gz AGSIEBVVHATIFF-XMMPIXPASA-N 1 3 391.559 3.553 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc4c(c3)CCCC4)c2)C1 ZINC000490843160 853305880 /nfs/dbraw/zinc/30/58/80/853305880.db2.gz AGSIEBVVHATIFF-XMMPIXPASA-N 1 3 391.559 3.553 20 0 GHADHO COc1ccc([C@@H](NCCC[N@@H+]2CCCN(C)CC2)c2ccc(F)cc2)cc1 ZINC000491009577 853387051 /nfs/dbraw/zinc/38/70/51/853387051.db2.gz QSXLVTYIPMOZIE-QHCPKHFHSA-N 1 3 385.527 3.541 20 0 GHADHO COc1ccc([C@@H](NCCC[N@H+]2CCCN(C)CC2)c2ccc(F)cc2)cc1 ZINC000491009577 853387058 /nfs/dbraw/zinc/38/70/58/853387058.db2.gz QSXLVTYIPMOZIE-QHCPKHFHSA-N 1 3 385.527 3.541 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001167988469 853571817 /nfs/dbraw/zinc/57/18/17/853571817.db2.gz PXFYKJKGUDTIIS-BKUVARHGSA-N 1 3 389.584 3.723 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001167988469 853571826 /nfs/dbraw/zinc/57/18/26/853571826.db2.gz PXFYKJKGUDTIIS-BKUVARHGSA-N 1 3 389.584 3.723 20 0 GHADHO Cc1ccc(Br)cc1[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000623896541 862495323 /nfs/dbraw/zinc/49/53/23/862495323.db2.gz UQOULDKHTABRFL-CVEARBPZSA-N 1 3 381.358 3.909 20 0 GHADHO Cc1cccc(N2C[C@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)CC2=O)c1 ZINC001167991861 854300208 /nfs/dbraw/zinc/30/02/08/854300208.db2.gz FLZVEPNQFBYTNN-KMBIXFLUSA-N 1 3 393.575 3.829 20 0 GHADHO Cc1cccc(N2C[C@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)CC2=O)c1 ZINC001167991861 854300217 /nfs/dbraw/zinc/30/02/17/854300217.db2.gz FLZVEPNQFBYTNN-KMBIXFLUSA-N 1 3 393.575 3.829 20 0 GHADHO CN(C(=O)[C@H]1CCCN1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113093346 854372116 /nfs/dbraw/zinc/37/21/16/854372116.db2.gz MUMCPDKVXSLWSQ-XMMPIXPASA-N 1 3 391.559 3.774 20 0 GHADHO Cc1ccc(N2C[C@@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)CC2=O)cc1 ZINC001167993727 854385734 /nfs/dbraw/zinc/38/57/34/854385734.db2.gz QKEFGFINCZOWEB-PYCXZRKXSA-N 1 3 393.575 3.829 20 0 GHADHO Cc1ccc(N2C[C@@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)CC2=O)cc1 ZINC001167993727 854385741 /nfs/dbraw/zinc/38/57/41/854385741.db2.gz QKEFGFINCZOWEB-PYCXZRKXSA-N 1 3 393.575 3.829 20 0 GHADHO CCC[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000572655714 854921025 /nfs/dbraw/zinc/92/10/25/854921025.db2.gz BPGCVACSDIETLY-LJQANCHMSA-N 1 3 397.485 3.879 20 0 GHADHO COc1ccc([C@H]2C[C@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)CCO2)cc1 ZINC001168615898 855009126 /nfs/dbraw/zinc/00/91/26/855009126.db2.gz PPPVVCDEAJBSLR-ISKFKSNPSA-N 1 3 395.547 3.812 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000573001650 855683972 /nfs/dbraw/zinc/68/39/72/855683972.db2.gz UPFUHOPJVOQIMD-IXFSTUDKSA-N 1 3 379.548 3.727 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000520620352 855806526 /nfs/dbraw/zinc/80/65/26/855806526.db2.gz ZLVUTSUBGARQFS-PKTZIBPZSA-N 1 3 398.595 3.792 20 0 GHADHO O=C1[C@@H](N2CCC(CCC[NH+]3CCCC3)CC2)CCCN1Cc1ccccc1 ZINC000760885827 856239172 /nfs/dbraw/zinc/23/91/72/856239172.db2.gz JVXSGFJKVVVPKK-QHCPKHFHSA-N 1 3 383.580 3.766 20 0 GHADHO C[C@H]1CN(CC2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000060368406 856281962 /nfs/dbraw/zinc/28/19/62/856281962.db2.gz RXTKCNQZZBCPCH-ROUUACIJSA-N 1 3 380.960 3.930 20 0 GHADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001128744071 856381085 /nfs/dbraw/zinc/38/10/85/856381085.db2.gz FPIUHQNUXNDUCP-YPAWHYETSA-N 1 3 385.596 3.771 20 0 GHADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001128744071 856381097 /nfs/dbraw/zinc/38/10/97/856381097.db2.gz FPIUHQNUXNDUCP-YPAWHYETSA-N 1 3 385.596 3.771 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000669427622 856448718 /nfs/dbraw/zinc/44/87/18/856448718.db2.gz MDODRCYKKWOHCR-ZLNRFVROSA-N 1 3 398.595 3.553 20 0 GHADHO COc1cc(OC)c(C2CC[NH+](CC[C@H]3CCCCN3C)CC2)c(OC)c1 ZINC000675487884 857450079 /nfs/dbraw/zinc/45/00/79/857450079.db2.gz SJEAMAAIAZIBPU-GOSISDBHSA-N 1 3 376.541 3.766 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672555555 857465237 /nfs/dbraw/zinc/46/52/37/857465237.db2.gz LOBVYZQNVWMFLU-SLFFLAALSA-N 1 3 392.975 3.649 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672555555 857465243 /nfs/dbraw/zinc/46/52/43/857465243.db2.gz LOBVYZQNVWMFLU-SLFFLAALSA-N 1 3 392.975 3.649 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000521000844 857477078 /nfs/dbraw/zinc/47/70/78/857477078.db2.gz OVMUAQZAGVMMLW-GBXCKJPGSA-N 1 3 391.559 3.850 20 0 GHADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483909 857501402 /nfs/dbraw/zinc/50/14/02/857501402.db2.gz SCOUGZJYGPLPIV-YADHBBJMSA-N 1 3 398.595 3.633 20 0 GHADHO C[C@@H](NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000672658227 857553216 /nfs/dbraw/zinc/55/32/16/857553216.db2.gz UKKTXTWRGDVDOA-GCJKJVERSA-N 1 3 398.551 3.830 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCOc3ccc(OCC)cc32)[C@@H](C)C1 ZINC000675885255 857660233 /nfs/dbraw/zinc/66/02/33/857660233.db2.gz NEAUCYIHKHAVLR-DZFGPLHGSA-N 1 3 376.541 3.636 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000064229427 857687111 /nfs/dbraw/zinc/68/71/11/857687111.db2.gz VANYJUHOMYSGGA-UHFFFAOYSA-N 1 3 386.584 3.546 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000064229427 857687119 /nfs/dbraw/zinc/68/71/19/857687119.db2.gz VANYJUHOMYSGGA-UHFFFAOYSA-N 1 3 386.584 3.546 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451821 857890783 /nfs/dbraw/zinc/89/07/83/857890783.db2.gz OOBLVSSFHSOWIB-FSSWDIPSSA-N 1 3 394.563 3.910 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451821 857890789 /nfs/dbraw/zinc/89/07/89/857890789.db2.gz OOBLVSSFHSOWIB-FSSWDIPSSA-N 1 3 394.563 3.910 20 0 GHADHO CCOc1cc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)ccc1OC(F)F ZINC000574458843 857899771 /nfs/dbraw/zinc/89/97/71/857899771.db2.gz YPZZUWOMCVMWTM-UHFFFAOYSA-N 1 3 376.447 3.964 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)[C@H](C)C1 ZINC000676541214 857933307 /nfs/dbraw/zinc/93/33/07/857933307.db2.gz PSQRFWFNGODJTA-FCEUIQTBSA-N 1 3 386.584 3.585 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)[C@H](C)C1 ZINC000676541214 857933315 /nfs/dbraw/zinc/93/33/15/857933315.db2.gz PSQRFWFNGODJTA-FCEUIQTBSA-N 1 3 386.584 3.585 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442709375 858066838 /nfs/dbraw/zinc/06/68/38/858066838.db2.gz ADRIMXPXTHYDBL-QUCCMNQESA-N 1 3 383.502 3.959 20 0 GHADHO CCN(Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccc(C[NH+](C)C)cc1 ZINC000521601563 858147480 /nfs/dbraw/zinc/14/74/80/858147480.db2.gz DFWURIPZFVGPFB-UHFFFAOYSA-N 1 3 392.503 3.889 20 0 GHADHO CN1CCN(CC[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1(C)C ZINC000442869556 858187102 /nfs/dbraw/zinc/18/71/02/858187102.db2.gz BWBSBGSROURHDN-OAQYLSRUSA-N 1 3 386.971 3.634 20 0 GHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2cc(Br)ccc2o1 ZINC000442877661 858199814 /nfs/dbraw/zinc/19/98/14/858199814.db2.gz RMWFSLAQTAPWLH-AWEZNQCLSA-N 1 3 394.357 3.872 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000521670660 858229360 /nfs/dbraw/zinc/22/93/60/858229360.db2.gz BWHMQMZDQYTGTL-UHFFFAOYSA-N 1 3 394.991 3.678 20 0 GHADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000183312996 858718266 /nfs/dbraw/zinc/71/82/66/858718266.db2.gz YUISHVFLTJEXSI-RUZDIDTESA-N 1 3 393.575 3.754 20 0 GHADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCc3ccccc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168019245 858766918 /nfs/dbraw/zinc/76/69/18/858766918.db2.gz HZDAROACMMQUQJ-JHDGKUDLSA-N 1 3 391.559 3.997 20 0 GHADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019245 858766923 /nfs/dbraw/zinc/76/69/23/858766923.db2.gz HZDAROACMMQUQJ-JHDGKUDLSA-N 1 3 391.559 3.997 20 0 GHADHO Cc1ncsc1-c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657430881 858783011 /nfs/dbraw/zinc/78/30/11/858783011.db2.gz VYGPPFZEINLFOJ-JOCHJYFZSA-N 1 3 393.556 3.975 20 0 GHADHO Cc1ncsc1-c1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657430881 858783020 /nfs/dbraw/zinc/78/30/20/858783020.db2.gz VYGPPFZEINLFOJ-JOCHJYFZSA-N 1 3 393.556 3.975 20 0 GHADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589320 859004255 /nfs/dbraw/zinc/00/42/55/859004255.db2.gz DHCJOLNBZXJMBV-IBGZPJMESA-N 1 3 389.559 3.933 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429686621 859005246 /nfs/dbraw/zinc/00/52/46/859005246.db2.gz OZXDARJNVROVCE-GPXOXTDOSA-N 1 3 399.623 3.864 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429686621 859005251 /nfs/dbraw/zinc/00/52/51/859005251.db2.gz OZXDARJNVROVCE-GPXOXTDOSA-N 1 3 399.623 3.864 20 0 GHADHO C[C@H]1CC(NCCNC(=O)c2ccc(F)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168023423 859097110 /nfs/dbraw/zinc/09/71/10/859097110.db2.gz WGLPJZGFUODAHF-ROUUACIJSA-N 1 3 383.511 3.587 20 0 GHADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509348146 859131176 /nfs/dbraw/zinc/13/11/76/859131176.db2.gz KTTWRUHDULMXLL-CQOQZXRMSA-N 1 3 384.612 3.536 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000081126507 859217472 /nfs/dbraw/zinc/21/74/72/859217472.db2.gz SPPXJIYYEAPFBZ-HSZRJFAPSA-N 1 3 377.532 3.629 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000081126507 859217482 /nfs/dbraw/zinc/21/74/82/859217482.db2.gz SPPXJIYYEAPFBZ-HSZRJFAPSA-N 1 3 377.532 3.629 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000522382827 859301590 /nfs/dbraw/zinc/30/15/90/859301590.db2.gz PXBPTKIYCOJMCL-INIZCTEOSA-N 1 3 377.479 3.588 20 0 GHADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc2ccccc21 ZINC000051759537 859313637 /nfs/dbraw/zinc/31/36/37/859313637.db2.gz OLNVEVRWJZPVAA-GOSISDBHSA-N 1 3 394.563 3.759 20 0 GHADHO COc1cc(C)ccc1CN1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856560047 881440638 /nfs/dbraw/zinc/44/06/38/881440638.db2.gz UTNLHOOFFIVLDU-QFIPXVFZSA-N 1 3 383.536 3.892 20 0 GHADHO COc1cc(C)ccc1CN1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856560047 881440640 /nfs/dbraw/zinc/44/06/40/881440640.db2.gz UTNLHOOFFIVLDU-QFIPXVFZSA-N 1 3 383.536 3.892 20 0 GHADHO C[C@@H]1C[C@@H](N[C@H]2CCN(Cc3ccncc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168032541 859782212 /nfs/dbraw/zinc/78/22/12/859782212.db2.gz HWJXKLHNYDTYRT-KZTDQWPFSA-N 1 3 378.564 3.687 20 0 GHADHO C[C@@H]1C[C@@H](N[C@H]2CCN(Cc3ccncc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032541 859782218 /nfs/dbraw/zinc/78/22/18/859782218.db2.gz HWJXKLHNYDTYRT-KZTDQWPFSA-N 1 3 378.564 3.687 20 0 GHADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607789 859858286 /nfs/dbraw/zinc/85/82/86/859858286.db2.gz YIIJEVAQOMHYNC-RDJZCZTQSA-N 1 3 395.473 3.802 20 0 GHADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607789 859858294 /nfs/dbraw/zinc/85/82/94/859858294.db2.gz YIIJEVAQOMHYNC-RDJZCZTQSA-N 1 3 395.473 3.802 20 0 GHADHO Cc1nc2sc3c(c2c(N[C@@H]2CCN(C4CC[NH+](C)CC4)C2)n1)CC[C@H](C)C3 ZINC000602233317 859882075 /nfs/dbraw/zinc/88/20/75/859882075.db2.gz RRXREJKIXPWRSF-GOEBONIOSA-N 1 3 399.608 3.705 20 0 GHADHO CC[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)c1ccc(C)cc1 ZINC000727238390 860008462 /nfs/dbraw/zinc/00/84/62/860008462.db2.gz MZRQUBFMZPVBGZ-HSZRJFAPSA-N 1 3 394.563 3.816 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1)CC1CC1 ZINC000474468969 860151117 /nfs/dbraw/zinc/15/11/17/860151117.db2.gz NFCONWUKLCGBDX-UHFFFAOYSA-N 1 3 387.593 3.934 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1)CC1CC1 ZINC000474468969 860151124 /nfs/dbraw/zinc/15/11/24/860151124.db2.gz NFCONWUKLCGBDX-UHFFFAOYSA-N 1 3 387.593 3.934 20 0 GHADHO Cc1nc2scc(CC(C)C)c2c(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000602614101 860154119 /nfs/dbraw/zinc/15/41/19/860154119.db2.gz TUNLQGDKKRELBA-QGZVFWFLSA-N 1 3 387.597 3.779 20 0 GHADHO COCOc1ccc(OC)cc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769339 860346384 /nfs/dbraw/zinc/34/63/84/860346384.db2.gz ZSQXZUZGIROQOZ-UHFFFAOYSA-N 1 3 376.541 3.766 20 0 GHADHO Cc1cccc(OCC[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856600383 881574525 /nfs/dbraw/zinc/57/45/25/881574525.db2.gz ZBXCPAHKCFHJSR-HSZRJFAPSA-N 1 3 383.536 3.762 20 0 GHADHO Cc1cccc(OCC[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856600383 881574551 /nfs/dbraw/zinc/57/45/51/881574551.db2.gz ZBXCPAHKCFHJSR-HSZRJFAPSA-N 1 3 383.536 3.762 20 0 GHADHO CC1CCN([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c2cccs2)CC1 ZINC000489798631 860756198 /nfs/dbraw/zinc/75/61/98/860756198.db2.gz RIVDLBRNLXYTGI-GBESFXJTSA-N 1 3 392.613 3.693 20 0 GHADHO CCC[NH+]1CCC(CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600073061 860898643 /nfs/dbraw/zinc/89/86/43/860898643.db2.gz FECGCJHXECDKRX-HXUWFJFHSA-N 1 3 385.596 3.568 20 0 GHADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623520959 861151820 /nfs/dbraw/zinc/15/18/20/861151820.db2.gz CCEBQJHPPGADHF-BJKOFHAPSA-N 1 3 391.559 3.523 20 0 GHADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623520959 861151834 /nfs/dbraw/zinc/15/18/34/861151834.db2.gz CCEBQJHPPGADHF-BJKOFHAPSA-N 1 3 391.559 3.523 20 0 GHADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000281585794 863268691 /nfs/dbraw/zinc/26/86/91/863268691.db2.gz LLLLEBQYBVPKJU-SIKLNZKXSA-N 1 3 384.495 3.568 20 0 GHADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000281585794 863268698 /nfs/dbraw/zinc/26/86/98/863268698.db2.gz LLLLEBQYBVPKJU-SIKLNZKXSA-N 1 3 384.495 3.568 20 0 GHADHO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2)C1 ZINC000856717991 881683432 /nfs/dbraw/zinc/68/34/32/881683432.db2.gz LYPGURPFCXMEHE-DHIUTWEWSA-N 1 3 377.532 3.500 20 0 GHADHO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2)C1 ZINC000856717991 881683443 /nfs/dbraw/zinc/68/34/43/881683443.db2.gz LYPGURPFCXMEHE-DHIUTWEWSA-N 1 3 377.532 3.500 20 0 GHADHO CCCC[NH+]1CCC(N[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000164485078 864617288 /nfs/dbraw/zinc/61/72/88/864617288.db2.gz MNMHOTWTNJJZKH-KRWDZBQOSA-N 1 3 379.976 3.931 20 0 GHADHO COc1cc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cc(OC)c1OCc1ccccc1 ZINC000622044874 864714419 /nfs/dbraw/zinc/71/44/19/864714419.db2.gz WMLMPKLQBIEOJP-NHCUHLMSSA-N 1 3 398.547 3.932 20 0 GHADHO C[C@@H]1CC(N2CCC(N3CCCOC3=O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061176 864769092 /nfs/dbraw/zinc/76/90/92/864769092.db2.gz ZELWHNVIMHZKBF-RTBURBONSA-N 1 3 385.552 3.735 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000533986205 865884602 /nfs/dbraw/zinc/88/46/02/865884602.db2.gz NHBCYSZSOCGBCP-IRMYBRCSSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000533986205 865884614 /nfs/dbraw/zinc/88/46/14/865884614.db2.gz NHBCYSZSOCGBCP-IRMYBRCSSA-N 1 3 398.595 3.728 20 0 GHADHO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)N2CCCC2)cc1 ZINC000667829798 865900841 /nfs/dbraw/zinc/90/08/41/865900841.db2.gz IOBKNXQHRPKDMC-NRFANRHFSA-N 1 3 396.510 3.738 20 0 GHADHO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761169 866161234 /nfs/dbraw/zinc/16/12/34/866161234.db2.gz ZJTYTZBQKLJXBU-DOTOQJQBSA-N 1 3 397.633 3.549 20 0 GHADHO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761169 866161239 /nfs/dbraw/zinc/16/12/39/866161239.db2.gz ZJTYTZBQKLJXBU-DOTOQJQBSA-N 1 3 397.633 3.549 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183140825 866271882 /nfs/dbraw/zinc/27/18/82/866271882.db2.gz FCMGJVFOHISQBP-IQFVJIFQSA-N 1 3 380.532 3.619 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183140825 866271901 /nfs/dbraw/zinc/27/19/01/866271901.db2.gz FCMGJVFOHISQBP-IQFVJIFQSA-N 1 3 380.532 3.619 20 0 GHADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000620192977 866527038 /nfs/dbraw/zinc/52/70/38/866527038.db2.gz XJLOHKTUWFTTIN-QHCPKHFHSA-N 1 3 391.559 3.780 20 0 GHADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000620192977 866527044 /nfs/dbraw/zinc/52/70/44/866527044.db2.gz XJLOHKTUWFTTIN-QHCPKHFHSA-N 1 3 391.559 3.780 20 0 GHADHO C[NH+](C)CCCC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000189797060 882008410 /nfs/dbraw/zinc/00/84/10/882008410.db2.gz SYMDWMRMYUKEQQ-OAQYLSRUSA-N 1 3 393.522 3.510 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000534609882 867134722 /nfs/dbraw/zinc/13/47/22/867134722.db2.gz OZEOGNVAAIKCNW-YJSIEXFISA-N 1 3 392.547 3.567 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000534609882 867134725 /nfs/dbraw/zinc/13/47/25/867134725.db2.gz OZEOGNVAAIKCNW-YJSIEXFISA-N 1 3 392.547 3.567 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(OCc3ccccc3)c2)CC1 ZINC000154218140 867306220 /nfs/dbraw/zinc/30/62/20/867306220.db2.gz URCYQKNJOIFJCA-NRFANRHFSA-N 1 3 381.564 3.944 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](C(C)(C)C)c4ccccc43)CC2)CC1 ZINC000445007769 867637410 /nfs/dbraw/zinc/63/74/10/867637410.db2.gz ANYOEFZNLRYXBC-OAQYLSRUSA-N 1 3 398.595 3.905 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463076 867807931 /nfs/dbraw/zinc/80/79/31/867807931.db2.gz IAZFYBIORHYGEV-QPPBQGQZSA-N 1 3 377.532 3.592 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463076 867807938 /nfs/dbraw/zinc/80/79/38/867807938.db2.gz IAZFYBIORHYGEV-QPPBQGQZSA-N 1 3 377.532 3.592 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000155648548 868002783 /nfs/dbraw/zinc/00/27/83/868002783.db2.gz VPXTXXUDODDETO-HUUCEWRRSA-N 1 3 378.611 3.857 20 0 GHADHO Cn1cc(CNC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c(-c2cccnc2)n1 ZINC000121818353 882294413 /nfs/dbraw/zinc/29/44/13/882294413.db2.gz RVYLKPRQZWCDTQ-QHCPKHFHSA-N 1 3 375.520 3.626 20 0 GHADHO Cn1cc(CNC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c(-c2cccnc2)n1 ZINC000121818353 882294430 /nfs/dbraw/zinc/29/44/30/882294430.db2.gz RVYLKPRQZWCDTQ-QHCPKHFHSA-N 1 3 375.520 3.626 20 0 GHADHO CCc1ccc(-c2ccc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)o2)cc1 ZINC000539823130 869854535 /nfs/dbraw/zinc/85/45/35/869854535.db2.gz RMBYZQRUNLHLDD-XXBNENTESA-N 1 3 381.564 3.967 20 0 GHADHO CCc1ccc(-c2ccc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)o2)cc1 ZINC000539823130 869854546 /nfs/dbraw/zinc/85/45/46/869854546.db2.gz RMBYZQRUNLHLDD-XXBNENTESA-N 1 3 381.564 3.967 20 0 GHADHO CC1(C)C[C@@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc21 ZINC000248118368 870289698 /nfs/dbraw/zinc/28/96/98/870289698.db2.gz MZTBXQHDFXNCNM-NFBKMPQASA-N 1 3 391.559 3.896 20 0 GHADHO CC1(C)C[C@@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc21 ZINC000248118368 870289716 /nfs/dbraw/zinc/28/97/16/870289716.db2.gz MZTBXQHDFXNCNM-NFBKMPQASA-N 1 3 391.559 3.896 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@H](C)O1 ZINC000538721566 870418417 /nfs/dbraw/zinc/41/84/17/870418417.db2.gz RKCHJHJDPVFGAO-PMACEKPBSA-N 1 3 382.552 3.584 20 0 GHADHO Cc1cc2c(cc1C)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248462158 870440780 /nfs/dbraw/zinc/44/07/80/870440780.db2.gz YAHADEGRSFLVOB-FYYLOGMGSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc2c(cc1C)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248462158 870440787 /nfs/dbraw/zinc/44/07/87/870440787.db2.gz YAHADEGRSFLVOB-FYYLOGMGSA-N 1 3 380.532 3.874 20 0 GHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248574472 870505127 /nfs/dbraw/zinc/50/51/27/870505127.db2.gz SPPOWGWEGQIVET-SNRMKQJTSA-N 1 3 383.374 3.859 20 0 GHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248574472 870505136 /nfs/dbraw/zinc/50/51/36/870505136.db2.gz SPPOWGWEGQIVET-SNRMKQJTSA-N 1 3 383.374 3.859 20 0 GHADHO COCCN(C)c1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000191312589 882419267 /nfs/dbraw/zinc/41/92/67/882419267.db2.gz PNDKTVFWAHZHMU-UHFFFAOYSA-N 1 3 396.579 3.508 20 0 GHADHO C[C@H](NC[C@@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248620154 870546616 /nfs/dbraw/zinc/54/66/16/870546616.db2.gz ZZAGMIKGRYBFEF-IEZWGBDMSA-N 1 3 384.486 3.851 20 0 GHADHO C[C@H](NC[C@@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620154 870546627 /nfs/dbraw/zinc/54/66/27/870546627.db2.gz ZZAGMIKGRYBFEF-IEZWGBDMSA-N 1 3 384.486 3.851 20 0 GHADHO COCCN(C)c1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000191312589 882419256 /nfs/dbraw/zinc/41/92/56/882419256.db2.gz PNDKTVFWAHZHMU-UHFFFAOYSA-N 1 3 396.579 3.508 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCSCC(F)(F)F)CC1 ZINC000538761119 870600331 /nfs/dbraw/zinc/60/03/31/870600331.db2.gz JNKDJTJVVNWEHL-UHFFFAOYSA-N 1 3 375.504 3.604 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@H]3O)CC1)CCS2 ZINC000248809499 870646124 /nfs/dbraw/zinc/64/61/24/870646124.db2.gz HJIKSFYZDKAHAD-VAMGGRTRSA-N 1 3 376.566 3.590 20 0 GHADHO FC(F)C(F)(F)COCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000446973730 870833578 /nfs/dbraw/zinc/83/35/78/870833578.db2.gz FGVSPUBTAJPEOC-FGTMMUONSA-N 1 3 388.449 3.794 20 0 GHADHO C[C@@H](C(=O)NC1CCC(C)CC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538946084 870954696 /nfs/dbraw/zinc/95/46/96/870954696.db2.gz LHMYXDKGCHUHDN-SCCNAQOGSA-N 1 3 386.584 3.703 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463138032 870990955 /nfs/dbraw/zinc/99/09/55/870990955.db2.gz NXXBSVYOFFHDJG-IEZKXTBUSA-N 1 3 393.575 3.530 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000463138032 870990962 /nfs/dbraw/zinc/99/09/62/870990962.db2.gz NXXBSVYOFFHDJG-IEZKXTBUSA-N 1 3 393.575 3.530 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000539053416 871184345 /nfs/dbraw/zinc/18/43/45/871184345.db2.gz PWBPJKPVTWMBTA-WMZOPIPTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000539053416 871184352 /nfs/dbraw/zinc/18/43/52/871184352.db2.gz PWBPJKPVTWMBTA-WMZOPIPTSA-N 1 3 393.453 3.979 20 0 GHADHO Cc1ncc(CNCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)s1 ZINC000525696142 871219707 /nfs/dbraw/zinc/21/97/07/871219707.db2.gz TYPHYZREMKFBIP-UHFFFAOYSA-N 1 3 384.471 3.512 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCc3ccccc3N1C(=O)OC(C)(C)C)C2 ZINC001169111840 871239490 /nfs/dbraw/zinc/23/94/90/871239490.db2.gz QFMMGKKMMNNEQK-YSTOQKLRSA-N 1 3 385.552 3.958 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000539071132 871258826 /nfs/dbraw/zinc/25/88/26/871258826.db2.gz UTBOTGWORRFNNS-OAGGEKHMSA-N 1 3 399.373 3.998 20 0 GHADHO CCO[C@@H]1COCC[C@H]1NC[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169410002 871457107 /nfs/dbraw/zinc/45/71/07/871457107.db2.gz TZZPNJHZRJMNDE-WXFUMESZSA-N 1 3 382.548 3.686 20 0 GHADHO CCO[C@@H]1COCC[C@H]1NC[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169410002 871457119 /nfs/dbraw/zinc/45/71/19/871457119.db2.gz TZZPNJHZRJMNDE-WXFUMESZSA-N 1 3 382.548 3.686 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001169757694 871843767 /nfs/dbraw/zinc/84/37/67/871843767.db2.gz ROYLXNNBEWXODR-NZQKXSOJSA-N 1 3 381.564 3.702 20 0 GHADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926620 872043315 /nfs/dbraw/zinc/04/33/15/872043315.db2.gz ZCRWTJTWYGKHHG-IBGZPJMESA-N 1 3 378.944 3.827 20 0 GHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000477989962 872287137 /nfs/dbraw/zinc/28/71/37/872287137.db2.gz CYOBLICHXPMWJP-JOCHJYFZSA-N 1 3 397.538 3.628 20 0 GHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477989962 872287152 /nfs/dbraw/zinc/28/71/52/872287152.db2.gz CYOBLICHXPMWJP-JOCHJYFZSA-N 1 3 397.538 3.628 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCCOC(C)(C)C)C2)ccn1 ZINC001196393042 873070494 /nfs/dbraw/zinc/07/04/94/873070494.db2.gz KOEMXZVDJMLMCE-NRFANRHFSA-N 1 3 377.573 3.970 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCCOC(C)(C)C)C2)ccn1 ZINC001196393042 873070509 /nfs/dbraw/zinc/07/05/09/873070509.db2.gz KOEMXZVDJMLMCE-NRFANRHFSA-N 1 3 377.573 3.970 20 0 GHADHO Cc1ccccc1C1CC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000541206929 873133864 /nfs/dbraw/zinc/13/38/64/873133864.db2.gz HMGMCMWQBFNEDJ-UHFFFAOYSA-N 1 3 391.559 3.856 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858013854 882722236 /nfs/dbraw/zinc/72/22/36/882722236.db2.gz GLPGRJQAWQKBDT-QFIPXVFZSA-N 1 3 381.520 3.553 20 0 GHADHO O=C(CN[C@@H](c1cccs1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000541580178 873866417 /nfs/dbraw/zinc/86/64/17/873866417.db2.gz VFCGSUVAAMVVPA-JOCHJYFZSA-N 1 3 383.561 3.701 20 0 GHADHO C[NH+](C)CCCC1CCN(Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000449030666 874370721 /nfs/dbraw/zinc/37/07/21/874370721.db2.gz SFWVLMLZCIDXKJ-UHFFFAOYSA-N 1 3 379.976 3.730 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccnn3C3CCCC3)CC2)c1 ZINC000449070430 874446353 /nfs/dbraw/zinc/44/63/53/874446353.db2.gz CNUFZHGGWMGNJK-UHFFFAOYSA-N 1 3 395.595 3.999 20 0 GHADHO O[C@H](C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)CN1CCCC1 ZINC000776034094 875251496 /nfs/dbraw/zinc/25/14/96/875251496.db2.gz PUIYUBACLUMLMT-PBHICJAKSA-N 1 3 376.850 3.856 20 0 GHADHO C[C@H]1C[C@H](CCNCc2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000785504819 876078864 /nfs/dbraw/zinc/07/88/64/876078864.db2.gz XWFKAZGOJZBBPA-RDJZCZTQSA-N 1 3 391.357 3.573 20 0 GHADHO C[C@H]1C[C@H](CCNCc2cc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000785504819 876078873 /nfs/dbraw/zinc/07/88/73/876078873.db2.gz XWFKAZGOJZBBPA-RDJZCZTQSA-N 1 3 391.357 3.573 20 0 GHADHO CC[NH+](CC)CCOC1CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000537659591 883006366 /nfs/dbraw/zinc/00/63/66/883006366.db2.gz ZHMBRNGAJLDKMS-UHFFFAOYSA-N 1 3 384.568 3.812 20 0 GHADHO COc1ccc(OC)c(C[N@H+](CCCN2CCN(C(C)C)CC2)C(C)(C)C)c1 ZINC000192758977 883009111 /nfs/dbraw/zinc/00/91/11/883009111.db2.gz DDYHMHWSELQSMO-UHFFFAOYSA-N 1 3 391.600 3.720 20 0 GHADHO COc1ccc(OC)c(C[N@@H+](CCCN2CCN(C(C)C)CC2)C(C)(C)C)c1 ZINC000192758977 883009124 /nfs/dbraw/zinc/00/91/24/883009124.db2.gz DDYHMHWSELQSMO-UHFFFAOYSA-N 1 3 391.600 3.720 20 0 GHADHO OCc1cc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc[nH+]1 ZINC000858348651 883040206 /nfs/dbraw/zinc/04/02/06/883040206.db2.gz QVNYLIFFYIHOLX-UHFFFAOYSA-N 1 3 388.515 3.508 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc2)CC1 ZINC000174194962 876893067 /nfs/dbraw/zinc/89/30/67/876893067.db2.gz GCDYMTQTDBLFGE-FYYLOGMGSA-N 1 3 398.595 3.587 20 0 GHADHO O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000850584670 877058342 /nfs/dbraw/zinc/05/83/42/877058342.db2.gz SZQFHGYPYIIXMR-NYUBLWNDSA-N 1 3 390.449 3.923 20 0 GHADHO C[C@H]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000174782195 877243839 /nfs/dbraw/zinc/24/38/39/877243839.db2.gz LJIVSTODZDOIDQ-FQEVSTJZSA-N 1 3 394.563 3.554 20 0 GHADHO COC(=O)Cc1ccccc1CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000787303156 877329438 /nfs/dbraw/zinc/32/94/38/877329438.db2.gz RBRJKRVQFUZNEV-HROJSSOGSA-N 1 3 380.532 3.648 20 0 GHADHO COC(=O)Cc1ccccc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000787303156 877329449 /nfs/dbraw/zinc/32/94/49/877329449.db2.gz RBRJKRVQFUZNEV-HROJSSOGSA-N 1 3 380.532 3.648 20 0 GHADHO C[C@H](CC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)N1CCCCC1 ZINC000542464040 877555765 /nfs/dbraw/zinc/55/57/65/877555765.db2.gz WLOZASPVYSXJSE-AQNXPRMDSA-N 1 3 397.563 3.838 20 0 GHADHO C[C@H](CC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)N1CCCCC1 ZINC000542464044 877555895 /nfs/dbraw/zinc/55/58/95/877555895.db2.gz WLOZASPVYSXJSE-VAMGGRTRSA-N 1 3 397.563 3.838 20 0 GHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000530340829 877577773 /nfs/dbraw/zinc/57/77/73/877577773.db2.gz CFEDQHHHMHAAEP-OAQYLSRUSA-N 1 3 380.536 3.774 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001183186976 912338599 /nfs/dbraw/zinc/33/85/99/912338599.db2.gz CRWOEVDSAXIAKX-SBHAEUEKSA-N 1 3 385.552 3.954 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001183186976 912338619 /nfs/dbraw/zinc/33/86/19/912338619.db2.gz CRWOEVDSAXIAKX-SBHAEUEKSA-N 1 3 385.552 3.954 20 0 GHADHO O=C(CCc1ccccc1)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000537991616 878635037 /nfs/dbraw/zinc/63/50/37/878635037.db2.gz VSEFAKAFTGSPGR-UHFFFAOYSA-N 1 3 383.580 3.607 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000530961037 878810469 /nfs/dbraw/zinc/81/04/69/878810469.db2.gz CJCBKBSUXWOVLM-CALCHBBNSA-N 1 3 390.959 3.813 20 0 GHADHO CC(C)[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000538098755 878834973 /nfs/dbraw/zinc/83/49/73/878834973.db2.gz KCIWJGHTKDVDNG-AEFFLSMTSA-N 1 3 385.474 3.580 20 0 GHADHO CC(C)[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000538098755 878834984 /nfs/dbraw/zinc/83/49/84/878834984.db2.gz KCIWJGHTKDVDNG-AEFFLSMTSA-N 1 3 385.474 3.580 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001183283011 912427998 /nfs/dbraw/zinc/42/79/98/912427998.db2.gz YUIPQMMGMGASFB-DFQOHLRPSA-N 1 3 399.579 3.790 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000246410556 879536364 /nfs/dbraw/zinc/53/63/64/879536364.db2.gz BEPYVWMZJCGQIG-HLAWJBBLSA-N 1 3 388.577 3.611 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000246410556 879536371 /nfs/dbraw/zinc/53/63/71/879536371.db2.gz BEPYVWMZJCGQIG-HLAWJBBLSA-N 1 3 388.577 3.611 20 0 GHADHO C[NH+](C)[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001183372606 912490230 /nfs/dbraw/zinc/49/02/30/912490230.db2.gz JNAYDKBZDRDQSH-SMIHKQSGSA-N 1 3 391.559 3.630 20 0 GHADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140376 879837115 /nfs/dbraw/zinc/83/71/15/879837115.db2.gz XSBVHFDJMGIHRX-BKXMBWNOSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140376 879837128 /nfs/dbraw/zinc/83/71/28/879837128.db2.gz XSBVHFDJMGIHRX-BKXMBWNOSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl)CN1CCCCC1 ZINC000531684168 880315327 /nfs/dbraw/zinc/31/53/27/880315327.db2.gz LYHWYIVJHLSGLG-QZTJIDSGSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000531684168 880315343 /nfs/dbraw/zinc/31/53/43/880315343.db2.gz LYHWYIVJHLSGLG-QZTJIDSGSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1cccs1 ZINC000184749562 880373258 /nfs/dbraw/zinc/37/32/58/880373258.db2.gz LTMVEAJUALDNIS-KURKYZTESA-N 1 3 385.577 3.672 20 0 GHADHO C[C@@H](C1CC1)N(C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000184755707 880374260 /nfs/dbraw/zinc/37/42/60/880374260.db2.gz AFFBNNFPDDCNGC-QRVBRYPASA-N 1 3 383.580 3.522 20 0 GHADHO CCCO[C@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](OCCC)CC3)COC2)CC1 ZINC000182159003 883208476 /nfs/dbraw/zinc/20/84/76/883208476.db2.gz LDCLXIBWZUUFEU-VXKWHMMOSA-N 1 3 396.616 3.565 20 0 GHADHO CCCO[C@H]1CCCN(CC2(C[N@H+]3CCC[C@H](OCCC)CC3)COC2)CC1 ZINC000182159003 883208495 /nfs/dbraw/zinc/20/84/95/883208495.db2.gz LDCLXIBWZUUFEU-VXKWHMMOSA-N 1 3 396.616 3.565 20 0 GHADHO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184095057 883316649 /nfs/dbraw/zinc/31/66/49/883316649.db2.gz ZIHQIGOMFYWVKN-WZONZLPQSA-N 1 3 398.595 3.558 20 0 GHADHO Clc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc1 ZINC001211910556 883340308 /nfs/dbraw/zinc/34/03/08/883340308.db2.gz GCRAMBXYHLXZKL-GOSISDBHSA-N 1 3 380.879 3.579 20 0 GHADHO Clc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc1 ZINC001211910556 883340328 /nfs/dbraw/zinc/34/03/28/883340328.db2.gz GCRAMBXYHLXZKL-GOSISDBHSA-N 1 3 380.879 3.579 20 0 GHADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000455888837 883588511 /nfs/dbraw/zinc/58/85/11/883588511.db2.gz XZFALAOHQCAWON-IRLDBZIGSA-N 1 3 378.520 3.632 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000508880079 884084232 /nfs/dbraw/zinc/08/42/32/884084232.db2.gz KSTVIASZCKMNHG-DENIHFKCSA-N 1 3 388.600 3.831 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000508880079 884084250 /nfs/dbraw/zinc/08/42/50/884084250.db2.gz KSTVIASZCKMNHG-DENIHFKCSA-N 1 3 388.600 3.831 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234419 884187263 /nfs/dbraw/zinc/18/72/63/884187263.db2.gz XHSWYPSASNELNG-HYBUGGRVSA-N 1 3 394.559 3.758 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234419 884187270 /nfs/dbraw/zinc/18/72/70/884187270.db2.gz XHSWYPSASNELNG-HYBUGGRVSA-N 1 3 394.559 3.758 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234419 884187275 /nfs/dbraw/zinc/18/72/75/884187275.db2.gz XHSWYPSASNELNG-HYBUGGRVSA-N 1 3 394.559 3.758 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)cc1CN1CCCCC1 ZINC000806179865 884461490 /nfs/dbraw/zinc/46/14/90/884461490.db2.gz XAHUEPDECJNFCY-XMSQKQJNSA-N 1 3 383.536 3.503 20 0 GHADHO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000460350322 884935015 /nfs/dbraw/zinc/93/50/15/884935015.db2.gz KBKDCMORZGDDHI-ZZYHAFTGSA-N 1 3 393.575 3.700 20 0 GHADHO COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001170523709 885422421 /nfs/dbraw/zinc/42/24/21/885422421.db2.gz IECYTPLKHIJEAO-NAVOZUGXSA-N 1 3 392.543 3.976 20 0 GHADHO COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001170523709 885422426 /nfs/dbraw/zinc/42/24/26/885422426.db2.gz IECYTPLKHIJEAO-NAVOZUGXSA-N 1 3 392.543 3.976 20 0 GHADHO C[C@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000807398679 885425014 /nfs/dbraw/zinc/42/50/14/885425014.db2.gz AKMZKKKJWSQVLL-AVRDEDQJSA-N 1 3 382.552 3.581 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cnc4cc(F)ccc4n3)c3ccccc23)CC1 ZINC001170524304 885441641 /nfs/dbraw/zinc/44/16/41/885441641.db2.gz KTOSCEJPDNHOSN-UHFFFAOYSA-N 1 3 389.478 3.678 20 0 GHADHO CCc1nc(Cl)c(C)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170525808 885504457 /nfs/dbraw/zinc/50/44/57/885504457.db2.gz PFZBWOTWTRMJEX-UHFFFAOYSA-N 1 3 397.954 3.910 20 0 GHADHO CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4CN5CCC[C@H]5CO4)n3)cc2)CC1 ZINC000923824806 885997683 /nfs/dbraw/zinc/99/76/83/885997683.db2.gz IUTGTFHUMFEOIF-PMACEKPBSA-N 1 3 382.508 3.504 20 0 GHADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC001275287473 913003921 /nfs/dbraw/zinc/00/39/21/913003921.db2.gz PPYWFDKDMYYVDJ-HXUWFJFHSA-N 1 3 398.378 3.760 20 0 GHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001184206217 913071515 /nfs/dbraw/zinc/07/15/15/913071515.db2.gz IPKIWDWDLKDIAT-QGZVKYPTSA-N 1 3 379.589 3.922 20 0 GHADHO COc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1F ZINC000237377314 886941920 /nfs/dbraw/zinc/94/19/20/886941920.db2.gz OEMUGNGCKOPCKH-UHFFFAOYSA-N 1 3 385.527 3.522 20 0 GHADHO CN(Cc1cccc2ccccc21)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760567 887782892 /nfs/dbraw/zinc/78/28/92/887782892.db2.gz PRZAJYNPBDPNNT-UHFFFAOYSA-N 1 3 394.563 3.540 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403209 913185832 /nfs/dbraw/zinc/18/58/32/913185832.db2.gz AHGXRDZQWMOUTM-UYAOXDASSA-N 1 3 391.987 3.933 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403209 913185838 /nfs/dbraw/zinc/18/58/38/913185838.db2.gz AHGXRDZQWMOUTM-UYAOXDASSA-N 1 3 391.987 3.933 20 0 GHADHO C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001184405738 913193436 /nfs/dbraw/zinc/19/34/36/913193436.db2.gz WTHAPUWREPYOOK-BIXGBWIQSA-N 1 3 391.987 3.789 20 0 GHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810460641 888509129 /nfs/dbraw/zinc/50/91/29/888509129.db2.gz WMEZOCWQLVAJBU-NZQKXSOJSA-N 1 3 389.559 3.570 20 0 GHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810460641 888509145 /nfs/dbraw/zinc/50/91/45/888509145.db2.gz WMEZOCWQLVAJBU-NZQKXSOJSA-N 1 3 389.559 3.570 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717919 888793948 /nfs/dbraw/zinc/79/39/48/888793948.db2.gz GDKLKOLJPPAQSU-CVDCTZTESA-N 1 3 389.559 3.616 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717919 888793953 /nfs/dbraw/zinc/79/39/53/888793953.db2.gz GDKLKOLJPPAQSU-CVDCTZTESA-N 1 3 389.559 3.616 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3c(Cl)ccc4cccnc43)CC2)CC1 ZINC000542593870 889248531 /nfs/dbraw/zinc/24/85/31/889248531.db2.gz VDYGESCEXNHAKH-UHFFFAOYSA-N 1 3 386.971 3.738 20 0 GHADHO O=C(CC[NH2+]C[C@H]1CCN(C2CC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000644531930 913344277 /nfs/dbraw/zinc/34/42/77/913344277.db2.gz VWKHJEHTRSDQKO-GOSISDBHSA-N 1 3 379.504 3.881 20 0 GHADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000124767186 889755725 /nfs/dbraw/zinc/75/57/25/889755725.db2.gz IOQOTRSEQACDMO-UHFFFAOYSA-N 1 3 382.346 3.584 20 0 GHADHO CCC[N@H+](Cc1cc2c(s1)CCNC2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000873208954 891525145 /nfs/dbraw/zinc/52/51/45/891525145.db2.gz ZCQRVXVUMLRMEA-UHFFFAOYSA-N 1 3 397.588 3.911 20 0 GHADHO CCC[N@@H+](Cc1cc2c(s1)CCNC2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000873208954 891525152 /nfs/dbraw/zinc/52/51/52/891525152.db2.gz ZCQRVXVUMLRMEA-UHFFFAOYSA-N 1 3 397.588 3.911 20 0 GHADHO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242868 891545289 /nfs/dbraw/zinc/54/52/89/891545289.db2.gz HBOOQUUVCNWEOF-HXUWFJFHSA-N 1 3 397.910 3.691 20 0 GHADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCc4c3ccc(Cl)c4Cl)c2)nn1 ZINC000873247513 891548231 /nfs/dbraw/zinc/54/82/31/891548231.db2.gz OSQJSSSOYJNZAL-GOSISDBHSA-N 1 3 388.302 3.810 20 0 GHADHO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cccc(Cl)c1F ZINC000161544763 891739929 /nfs/dbraw/zinc/73/99/29/891739929.db2.gz WCJYGZFHMBAXIB-SFHVURJKSA-N 1 3 376.907 3.867 20 0 GHADHO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc1OC ZINC000068722567 892609285 /nfs/dbraw/zinc/60/92/85/892609285.db2.gz UDLVALBRPQDGSR-AWEZNQCLSA-N 1 3 385.346 3.678 20 0 GHADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(N2CCOCC2)c1 ZINC000508716907 892841747 /nfs/dbraw/zinc/84/17/47/892841747.db2.gz GVNRBEVWGNEDSC-ZJSXRUAMSA-N 1 3 393.575 3.832 20 0 GHADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[NH+]1CCCCC1 ZINC000918121475 893197396 /nfs/dbraw/zinc/19/73/96/893197396.db2.gz OMERAKCZEALJES-RBUKOAKNSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@@H](NCc1cccc(Cn2cccn2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000129406913 893359142 /nfs/dbraw/zinc/35/91/42/893359142.db2.gz PVDCOLSASQQYRO-LJQANCHMSA-N 1 3 378.520 3.723 20 0 GHADHO C[C@@H]1CCC[C@@H](NC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000536714347 893590443 /nfs/dbraw/zinc/59/04/43/893590443.db2.gz XDXVGIMYGFFCOJ-WOIUINJBSA-N 1 3 386.584 3.561 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000556139993 893884766 /nfs/dbraw/zinc/88/47/66/893884766.db2.gz GZVNZYWYPYTSNS-UHFFFAOYSA-N 1 3 379.976 3.729 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000556139993 893884787 /nfs/dbraw/zinc/88/47/87/893884787.db2.gz GZVNZYWYPYTSNS-UHFFFAOYSA-N 1 3 379.976 3.729 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)[C@@H](O)Cc1ccccc1 ZINC000537192617 894516392 /nfs/dbraw/zinc/51/63/92/894516392.db2.gz PMEBQLRKYGSJSX-BWAGFHJFSA-N 1 3 380.532 3.556 20 0 GHADHO CC1CC[NH+](CCCCNCc2cn3ccc(Br)cc3n2)CC1 ZINC000564407727 894947062 /nfs/dbraw/zinc/94/70/62/894947062.db2.gz LDYAIPYVZPCHJE-UHFFFAOYSA-N 1 3 379.346 3.699 20 0 GHADHO CC(C)C[C@H](N[C@H]1CCSc2c(Cl)cccc21)C(=O)NCC[NH+](C)C ZINC000537446160 894989199 /nfs/dbraw/zinc/98/91/99/894989199.db2.gz IWSIOYDQEPTZHA-IRXDYDNUSA-N 1 3 383.989 3.559 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](Cc4ccccc4)[C@@H]3C)CC2)CC1 ZINC000565187539 895448894 /nfs/dbraw/zinc/44/88/94/895448894.db2.gz CLIXMPAFDUPCFR-REWPJTCUSA-N 1 3 397.607 3.662 20 0 GHADHO CN(C)C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000565435516 895623128 /nfs/dbraw/zinc/62/31/28/895623128.db2.gz YTSXNSOTTSHQLL-NRFANRHFSA-N 1 3 385.939 3.969 20 0 GHADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000817890982 895951535 /nfs/dbraw/zinc/95/15/35/895951535.db2.gz DAULALIIWSIZPF-GRWTVWFQSA-N 1 3 393.487 3.550 20 0 GHADHO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000819321429 896611960 /nfs/dbraw/zinc/61/19/60/896611960.db2.gz HKQRZFNTEYEEIC-NFBKMPQASA-N 1 3 398.547 3.629 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3c4ccccc4CC[C@H]3C)CC2)CC1 ZINC000568202224 897670876 /nfs/dbraw/zinc/67/08/76/897670876.db2.gz HAWRBOOQTRJBKI-WZONZLPQSA-N 1 3 383.580 3.623 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000568530274 897914352 /nfs/dbraw/zinc/91/43/52/897914352.db2.gz UCMDKFUXWNNXGF-RUZDIDTESA-N 1 3 397.607 3.763 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000569028891 898285362 /nfs/dbraw/zinc/28/53/62/898285362.db2.gz NAKDEUVCXVVLSY-NQIIRXRSSA-N 1 3 389.609 3.782 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000569028891 898285378 /nfs/dbraw/zinc/28/53/78/898285378.db2.gz NAKDEUVCXVVLSY-NQIIRXRSSA-N 1 3 389.609 3.782 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000569039136 898292663 /nfs/dbraw/zinc/29/26/63/898292663.db2.gz PDPBFKYWKIFRFH-DRMXPCRNSA-N 1 3 398.522 3.757 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000823747622 899229295 /nfs/dbraw/zinc/22/92/95/899229295.db2.gz GPXUKQXPCBJTPG-AUSIDOKSSA-N 1 3 391.600 3.878 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000823795687 899265672 /nfs/dbraw/zinc/26/56/72/899265672.db2.gz SWFPVWMZYFHTLO-RXVVDRJESA-N 1 3 387.568 3.681 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC(C)(C3CC3)CC2)CC1 ZINC000570487835 899340017 /nfs/dbraw/zinc/34/00/17/899340017.db2.gz YAKCTUUMTMIHLX-UHFFFAOYSA-N 1 3 383.580 3.588 20 0 GHADHO CN(C)Cc1cccc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000156681267 899948664 /nfs/dbraw/zinc/94/86/64/899948664.db2.gz LHTLXVQJYMFEHC-UHFFFAOYSA-N 1 3 394.563 3.779 20 0 GHADHO Clc1cnc(NCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000572026554 900038801 /nfs/dbraw/zinc/03/88/01/900038801.db2.gz WXRHZDNACQOHDU-APWZRJJASA-N 1 3 393.318 3.646 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000572426053 900181182 /nfs/dbraw/zinc/18/11/82/900181182.db2.gz QKHWWVDTYZEDOM-YLJYHZDGSA-N 1 3 394.991 3.754 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000572426053 900181188 /nfs/dbraw/zinc/18/11/88/900181188.db2.gz QKHWWVDTYZEDOM-YLJYHZDGSA-N 1 3 394.991 3.754 20 0 GHADHO CN1Cc2c(NC(=O)CC3CC[NH+](C)CC3)cccc2[C@@H](c2ccccc2)C1 ZINC001143359433 900221104 /nfs/dbraw/zinc/22/11/04/900221104.db2.gz JUAVNAZOEIJFIU-OAQYLSRUSA-N 1 3 377.532 3.934 20 0 GHADHO CN(C)C1(C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000843898219 900303540 /nfs/dbraw/zinc/30/35/40/900303540.db2.gz DXGWOIXKHCIHDQ-OAQYLSRUSA-N 1 3 383.580 3.620 20 0 GHADHO CCOc1ccc(N(CC)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000574925002 901055110 /nfs/dbraw/zinc/05/51/10/901055110.db2.gz NFLRNQLOWNLDJW-UHFFFAOYSA-N 1 3 387.568 3.635 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000575023510 901093312 /nfs/dbraw/zinc/09/33/12/901093312.db2.gz LTVOPMSIMLRZDO-KRWDZBQOSA-N 1 3 378.520 3.843 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000575023510 901093318 /nfs/dbraw/zinc/09/33/18/901093318.db2.gz LTVOPMSIMLRZDO-KRWDZBQOSA-N 1 3 378.520 3.843 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccc(O)cn4)CC3)CC2)c1 ZINC001144259074 901473259 /nfs/dbraw/zinc/47/32/59/901473259.db2.gz MOOWBTDHLZJGEH-UHFFFAOYSA-N 1 3 381.520 3.674 20 0 GHADHO CN(Cc1c[nH]nc1-c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645197 901503221 /nfs/dbraw/zinc/50/32/21/901503221.db2.gz PRQNERLUIUZYOD-UHFFFAOYSA-N 1 3 375.520 3.611 20 0 GHADHO CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cnc21 ZINC000576197076 901794832 /nfs/dbraw/zinc/79/48/32/901794832.db2.gz UGXOSUJWYUFZMJ-JTHBVZDNSA-N 1 3 389.547 3.966 20 0 GHADHO CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cnc21 ZINC000576197076 901794846 /nfs/dbraw/zinc/79/48/46/901794846.db2.gz UGXOSUJWYUFZMJ-JTHBVZDNSA-N 1 3 389.547 3.966 20 0 GHADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000128138919 902613755 /nfs/dbraw/zinc/61/37/55/902613755.db2.gz AADDKLDZSDZLEL-MRXNPFEDSA-N 1 3 394.357 3.584 20 0 GHADHO C[C@@H](NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ncc[nH]1 ZINC000577834753 903253361 /nfs/dbraw/zinc/25/33/61/903253361.db2.gz ROIZFJYEVSPACW-MRXNPFEDSA-N 1 3 395.473 3.682 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000578034238 903460816 /nfs/dbraw/zinc/46/08/16/903460816.db2.gz XGZKTJLZWONACY-URYYLNOGSA-N 1 3 397.607 3.914 20 0 GHADHO C[NH+](C)CCCCC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000578067959 903492667 /nfs/dbraw/zinc/49/26/67/903492667.db2.gz UOLKDTNOFCZNFX-FQEVSTJZSA-N 1 3 381.511 3.728 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000779047992 903535119 /nfs/dbraw/zinc/53/51/19/903535119.db2.gz HJCFQSZMALIIGR-LEWJYISDSA-N 1 3 387.568 3.540 20 0 GHADHO CC(C)[C@@H](CCc1ccccc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000578651182 904026877 /nfs/dbraw/zinc/02/68/77/904026877.db2.gz HDJBMXQNZSIWHI-HSZRJFAPSA-N 1 3 399.623 3.958 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)C[C@H]3c3ccccc3)CC2)CC1 ZINC000579248993 904454753 /nfs/dbraw/zinc/45/47/53/904454753.db2.gz XMTKCMABHZBINW-XXBNENTESA-N 1 3 383.580 3.792 20 0 GHADHO CN1CC2(C1)CC[NH+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1)CC2 ZINC001171613144 904874820 /nfs/dbraw/zinc/87/48/20/904874820.db2.gz MUZQFQIDLLLVQF-MSOLQXFVSA-N 1 3 379.589 3.828 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1(C)C ZINC001171613165 904876081 /nfs/dbraw/zinc/87/60/81/904876081.db2.gz GSTIRLLJJKQIRK-FVQHAEBGSA-N 1 3 379.589 3.873 20 0 GHADHO Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001171676153 904919891 /nfs/dbraw/zinc/91/98/91/904919891.db2.gz XKKLXCYQZBTHDF-FTBPSBKWSA-N 1 3 393.575 3.934 20 0 GHADHO Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001171676153 904919898 /nfs/dbraw/zinc/91/98/98/904919898.db2.gz XKKLXCYQZBTHDF-FTBPSBKWSA-N 1 3 393.575 3.934 20 0 GHADHO COc1ccc(C(=O)NC2CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)cc1 ZINC001171636022 904923835 /nfs/dbraw/zinc/92/38/35/904923835.db2.gz CTTVJDPGZADKPV-UHFFFAOYSA-N 1 3 387.568 3.541 20 0 GHADHO COc1ccc(C(=O)NC2CCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)cc1 ZINC001171636022 904923837 /nfs/dbraw/zinc/92/38/37/904923837.db2.gz CTTVJDPGZADKPV-UHFFFAOYSA-N 1 3 387.568 3.541 20 0 GHADHO C[C@H]1C[C@@H]([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CN1Cc1ccccc1 ZINC001171761726 904997840 /nfs/dbraw/zinc/99/78/40/904997840.db2.gz GAXPYVADEWHUDP-GBXCKJPGSA-N 1 3 381.539 3.996 20 0 GHADHO C[C@H]1C[C@@H]([N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CN1Cc1ccccc1 ZINC001171761726 904997844 /nfs/dbraw/zinc/99/78/44/904997844.db2.gz GAXPYVADEWHUDP-GBXCKJPGSA-N 1 3 381.539 3.996 20 0 GHADHO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC001171935799 905191933 /nfs/dbraw/zinc/19/19/33/905191933.db2.gz LFBDHLBGOVGKBF-NPKDDELLSA-N 1 3 384.564 3.999 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)C2 ZINC001172104279 905354562 /nfs/dbraw/zinc/35/45/62/905354562.db2.gz BFEKVRPWEFXSNU-GPJHCHHRSA-N 1 3 383.580 3.652 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174867919 905377331 /nfs/dbraw/zinc/37/73/31/905377331.db2.gz SVQYKYANLVCAAM-NRFANRHFSA-N 1 3 380.536 3.734 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174867919 905377340 /nfs/dbraw/zinc/37/73/40/905377340.db2.gz SVQYKYANLVCAAM-NRFANRHFSA-N 1 3 380.536 3.734 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3ccc(OC(F)(F)F)cc3)CC1)C2 ZINC001172123571 905383141 /nfs/dbraw/zinc/38/31/41/905383141.db2.gz DZUSZYLZTWQKQS-BWTSREIZSA-N 1 3 397.485 3.718 20 0 GHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000174948111 905397150 /nfs/dbraw/zinc/39/71/50/905397150.db2.gz GQZRZUNRBDAYEF-QHCPKHFHSA-N 1 3 391.559 3.877 20 0 GHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000174948111 905397167 /nfs/dbraw/zinc/39/71/67/905397167.db2.gz GQZRZUNRBDAYEF-QHCPKHFHSA-N 1 3 391.559 3.877 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H](NC(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172584373 905684796 /nfs/dbraw/zinc/68/47/96/905684796.db2.gz NGNXXLFXFWMQLB-FUHWJXTLSA-N 1 3 379.520 3.902 20 0 GHADHO CCC(CC)N1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172809604 905842707 /nfs/dbraw/zinc/84/27/07/905842707.db2.gz JYAMSFJJYLDBRD-CTXDPNEZSA-N 1 3 377.573 3.936 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000178253322 906315983 /nfs/dbraw/zinc/31/59/83/906315983.db2.gz GGPBSKINILBWCG-INIZCTEOSA-N 1 3 377.960 3.541 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@H+](C)C[C@@H](C)CN)CC1 ZINC001173556850 906530616 /nfs/dbraw/zinc/53/06/16/906530616.db2.gz LFOJYDZLDYVVTB-MNNVXMFVSA-N 1 3 399.373 3.734 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@@H+](C)C[C@@H](C)CN)CC1 ZINC001173556850 906530628 /nfs/dbraw/zinc/53/06/28/906530628.db2.gz LFOJYDZLDYVVTB-MNNVXMFVSA-N 1 3 399.373 3.734 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001173709625 906659709 /nfs/dbraw/zinc/65/97/09/906659709.db2.gz PDTGZTOKMXDJFK-ZQAWKMMESA-N 1 3 392.543 3.904 20 0 GHADHO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000180161028 906703690 /nfs/dbraw/zinc/70/36/90/906703690.db2.gz WJHJQFQHUFFQLB-AKIFATBCSA-N 1 3 383.580 3.524 20 0 GHADHO C[NH2+]CCOCCN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000629653762 906931373 /nfs/dbraw/zinc/93/13/73/906931373.db2.gz NBBYIRQEVHXVLH-UHFFFAOYSA-N 1 3 378.520 3.516 20 0 GHADHO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)s1 ZINC000181411514 906995066 /nfs/dbraw/zinc/99/50/66/906995066.db2.gz IZQRVUFMQTWDIT-FXAWDEMLSA-N 1 3 387.593 3.856 20 0 GHADHO CN(CC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000629995607 907090651 /nfs/dbraw/zinc/09/06/51/907090651.db2.gz CPNFJHUIFBMKPL-HSZRJFAPSA-N 1 3 383.580 3.620 20 0 GHADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183185902 907345019 /nfs/dbraw/zinc/34/50/19/907345019.db2.gz UQTYRWQQPZOAPC-HRCADAONSA-N 1 3 378.948 3.695 20 0 GHADHO C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183185902 907345038 /nfs/dbraw/zinc/34/50/38/907345038.db2.gz UQTYRWQQPZOAPC-HRCADAONSA-N 1 3 378.948 3.695 20 0 GHADHO C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185902 907345045 /nfs/dbraw/zinc/34/50/45/907345045.db2.gz UQTYRWQQPZOAPC-HRCADAONSA-N 1 3 378.948 3.695 20 0 GHADHO CCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCc2ccccc21 ZINC000299479595 921362432 /nfs/dbraw/zinc/36/24/32/921362432.db2.gz BJXRZUULDOXTFM-QHCPKHFHSA-N 1 3 398.595 3.654 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCS2 ZINC000191511187 908635958 /nfs/dbraw/zinc/63/59/58/908635958.db2.gz SJBIQZAKOXIOFQ-JOCHJYFZSA-N 1 3 398.572 3.979 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001178412113 909046925 /nfs/dbraw/zinc/04/69/25/909046925.db2.gz BRXAMGGDPVRNFT-ICSRJNTNSA-N 1 3 379.589 3.924 20 0 GHADHO CCN(Cc1cccn(C(F)F)c1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638139284 910062365 /nfs/dbraw/zinc/06/23/65/910062365.db2.gz LLPOOWUXOUJAJE-GOSISDBHSA-N 1 3 375.463 3.587 20 0 GHADHO CCN(Cc1cccn(C(F)F)c1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638139284 910062383 /nfs/dbraw/zinc/06/23/83/910062383.db2.gz LLPOOWUXOUJAJE-GOSISDBHSA-N 1 3 375.463 3.587 20 0 GHADHO CN1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638377316 910135362 /nfs/dbraw/zinc/13/53/62/910135362.db2.gz PJKYKVAXDWRSCA-IYWMVGAKSA-N 1 3 392.385 3.801 20 0 GHADHO CN1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638377316 910135366 /nfs/dbraw/zinc/13/53/66/910135366.db2.gz PJKYKVAXDWRSCA-IYWMVGAKSA-N 1 3 392.385 3.801 20 0 GHADHO CC(C)(C)[C@@]1(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639296501 910379099 /nfs/dbraw/zinc/37/90/99/910379099.db2.gz VFTRNZRELMONMB-GBXCKJPGSA-N 1 3 383.580 3.525 20 0 GHADHO c1ccc([C@H](CN2CCC[C@@]3(CCOC3)C2)C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000639666620 910598985 /nfs/dbraw/zinc/59/89/85/910598985.db2.gz MYDFSJMGSYAOTA-MPIKPJSNSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc([C@H](CN2CCC[C@@]3(CCOC3)C2)C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000639666620 910598995 /nfs/dbraw/zinc/59/89/95/910598995.db2.gz MYDFSJMGSYAOTA-MPIKPJSNSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc([C@@H](CN2CCC[C@]3(CCOC3)C2)C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000639666620 910599008 /nfs/dbraw/zinc/59/90/08/910599008.db2.gz MYDFSJMGSYAOTA-MPIKPJSNSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc([C@@H](CN2CCC[C@]3(CCOC3)C2)C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000639666620 910599022 /nfs/dbraw/zinc/59/90/22/910599022.db2.gz MYDFSJMGSYAOTA-MPIKPJSNSA-N 1 3 398.591 3.775 20 0 GHADHO CC(C)[NH+]1CCN(C2CCN([C@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000270854051 910717989 /nfs/dbraw/zinc/71/79/89/910717989.db2.gz HEPCSGNHAWJKAW-LJQANCHMSA-N 1 3 382.552 3.893 20 0 GHADHO COc1ccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c2ccccc12 ZINC000271228916 910826349 /nfs/dbraw/zinc/82/63/49/910826349.db2.gz SNGBGRQVRHQGNW-UHFFFAOYSA-N 1 3 381.564 3.839 20 0 GHADHO COCCc1nc(C)c([C@@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000271353406 910872609 /nfs/dbraw/zinc/87/26/09/910872609.db2.gz NZZONWXJXVIELZ-MRXNPFEDSA-N 1 3 391.581 3.822 20 0 GHADHO CCOc1c(OC)cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1OC ZINC000647249029 915104753 /nfs/dbraw/zinc/10/47/53/915104753.db2.gz YCQBLVYOCMRWOS-UXHICEINSA-N 1 3 384.520 3.538 20 0 GHADHO COc1cc(Br)ccc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647249204 915105738 /nfs/dbraw/zinc/10/57/38/915105738.db2.gz JCNDNXXJLUKXPH-MJGOQNOKSA-N 1 3 389.337 3.893 20 0 GHADHO Fc1ccc([C@@H](C[C@H]2CCOC2)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000292362937 915636190 /nfs/dbraw/zinc/63/61/90/915636190.db2.gz YVNABOYLJWHDPE-WIYYLYMNSA-N 1 3 376.516 3.528 20 0 GHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000293563422 916269244 /nfs/dbraw/zinc/26/92/44/916269244.db2.gz CZENVAZWUDBXEB-QRVBRYPASA-N 1 3 389.540 3.573 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)ccc1OC ZINC000775393596 917382546 /nfs/dbraw/zinc/38/25/46/917382546.db2.gz HLGNMIITJNMZJB-DSKINZAPSA-N 1 3 389.584 3.835 20 0 GHADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1OC ZINC000775413169 917563968 /nfs/dbraw/zinc/56/39/68/917563968.db2.gz YDNKUXYHKWTLNK-APWZRJJASA-N 1 3 375.557 3.587 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1OC ZINC000775413170 917565483 /nfs/dbraw/zinc/56/54/83/917565483.db2.gz YDNKUXYHKWTLNK-LPHOPBHVSA-N 1 3 375.557 3.587 20 0 GHADHO [NH3+]CCCC[C@@H](NC[C@@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1F ZINC000902403926 922165662 /nfs/dbraw/zinc/16/56/62/922165662.db2.gz VMHZNWGITXIRNN-FXAWDEMLSA-N 1 3 382.495 3.700 20 0 GHADHO c1ccc(CC[C@@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2cccnc2)cc1 ZINC000902803783 922505886 /nfs/dbraw/zinc/50/58/86/922505886.db2.gz ZBEGEHJXPTWNAD-BJKOFHAPSA-N 1 3 379.548 3.989 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147298 922807692 /nfs/dbraw/zinc/80/76/92/922807692.db2.gz GVLQKHUFWOGWRK-ZJSXRUAMSA-N 1 3 398.522 3.650 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147298 922807707 /nfs/dbraw/zinc/80/77/07/922807707.db2.gz GVLQKHUFWOGWRK-ZJSXRUAMSA-N 1 3 398.522 3.650 20 0 GHADHO CC(=O)OCc1cccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000903147515 922808458 /nfs/dbraw/zinc/80/84/58/922808458.db2.gz JZASHIFMAGKIEQ-KOSHJBKYSA-N 1 3 396.531 3.557 20 0 GHADHO CC(=O)OCc1cccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000903147515 922808470 /nfs/dbraw/zinc/80/84/70/922808470.db2.gz JZASHIFMAGKIEQ-KOSHJBKYSA-N 1 3 396.531 3.557 20 0 GHADHO Cc1c(C[C@@H](CN)C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)cnn1C ZINC000903919264 923399241 /nfs/dbraw/zinc/39/92/41/923399241.db2.gz CDRHUPDXCJAQQQ-QUCCMNQESA-N 1 3 376.548 3.656 20 0 GHADHO Cc1c(C[C@@H](CN)C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)cnn1C ZINC000903919262 923399905 /nfs/dbraw/zinc/39/99/05/923399905.db2.gz CDRHUPDXCJAQQQ-ICSRJNTNSA-N 1 3 376.548 3.656 20 0 GHADHO COc1cc(C[NH2+]C[C@@H]2CNCCC2(F)F)ccc1OCc1cccs1 ZINC000903957425 923437666 /nfs/dbraw/zinc/43/76/66/923437666.db2.gz QRLWBERBOCKUOR-HNNXBMFYSA-N 1 3 382.476 3.670 20 0 GHADHO CC(=O)N1CC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000677426509 924357596 /nfs/dbraw/zinc/35/75/96/924357596.db2.gz VQYTVADDOJERKG-HSZRJFAPSA-N 1 3 393.531 3.749 20 0 GHADHO Cc1cc([C@H](N)CC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc(Cl)n1 ZINC000827050288 924684471 /nfs/dbraw/zinc/68/44/71/924684471.db2.gz WKPVTKMMVMHGEE-LJQANCHMSA-N 1 3 388.943 3.590 20 0 GHADHO Cc1cc([C@H](N)CC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc(Cl)n1 ZINC000827050288 924684476 /nfs/dbraw/zinc/68/44/76/924684476.db2.gz WKPVTKMMVMHGEE-LJQANCHMSA-N 1 3 388.943 3.590 20 0 GHADHO Fc1ccc2[nH]cc(CN3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c2c1 ZINC001137338206 924797046 /nfs/dbraw/zinc/79/70/46/924797046.db2.gz BQVWBVHULRWPMS-UHFFFAOYSA-N 1 3 381.499 3.548 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000678590026 924832567 /nfs/dbraw/zinc/83/25/67/924832567.db2.gz QSKISZCFIPPGIE-JOCHJYFZSA-N 1 3 399.485 3.568 20 0 GHADHO CC(CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638839 924858940 /nfs/dbraw/zinc/85/89/40/924858940.db2.gz YHHVAEOPNBOHGT-LWSSLDFYSA-N 1 3 392.628 3.900 20 0 GHADHO CC(CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638839 924858944 /nfs/dbraw/zinc/85/89/44/924858944.db2.gz YHHVAEOPNBOHGT-LWSSLDFYSA-N 1 3 392.628 3.900 20 0 GHADHO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000678772545 924916345 /nfs/dbraw/zinc/91/63/45/924916345.db2.gz APGRDFAWCDAUCG-YADARESESA-N 1 3 391.559 3.925 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679042656 925008197 /nfs/dbraw/zinc/00/81/97/925008197.db2.gz CDBLXIFWZGURTM-NQHRYMMQSA-N 1 3 399.623 3.646 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000410373344 925585998 /nfs/dbraw/zinc/58/59/98/925585998.db2.gz XEAVGFDREMQZGW-HXUWFJFHSA-N 1 3 388.600 3.648 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000410373344 925586003 /nfs/dbraw/zinc/58/60/03/925586003.db2.gz XEAVGFDREMQZGW-HXUWFJFHSA-N 1 3 388.600 3.648 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000411449189 926404609 /nfs/dbraw/zinc/40/46/09/926404609.db2.gz FKSNDJRCOFMFKR-LJQANCHMSA-N 1 3 385.474 3.593 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000411531799 926491655 /nfs/dbraw/zinc/49/16/55/926491655.db2.gz LOVHXCKGRQAVPA-RTBURBONSA-N 1 3 397.538 3.530 20 0 GHADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCc1ccc(Cl)c(Cl)c1 ZINC001276277287 929183504 /nfs/dbraw/zinc/18/35/04/929183504.db2.gz XEEQYTNDLGKSAY-RTBURBONSA-N 1 3 398.378 3.553 20 0 GHADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCc1ccc(Cl)c(Cl)c1 ZINC001276277287 929183509 /nfs/dbraw/zinc/18/35/09/929183509.db2.gz XEEQYTNDLGKSAY-RTBURBONSA-N 1 3 398.378 3.553 20 0 GHADHO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1C ZINC000753627675 929452491 /nfs/dbraw/zinc/45/24/91/929452491.db2.gz ZYDHDASILZNRBN-FQEVSTJZSA-N 1 3 381.564 3.910 20 0 GHADHO C[C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+]1CCCCCC1 ZINC000469331758 929794693 /nfs/dbraw/zinc/79/46/93/929794693.db2.gz BGXRMBAFBNOMAR-GOSISDBHSA-N 1 3 391.987 3.933 20 0 GHADHO C[N@H+](Cc1ccccc1CNC(=O)c1ccc2c(c1)CNC2)C1CCCCC1 ZINC000470377482 930571449 /nfs/dbraw/zinc/57/14/49/930571449.db2.gz SKNRZALYNHHAFV-UHFFFAOYSA-N 1 3 377.532 3.984 20 0 GHADHO C[N@@H+](Cc1ccccc1CNC(=O)c1ccc2c(c1)CNC2)C1CCCCC1 ZINC000470377482 930571455 /nfs/dbraw/zinc/57/14/55/930571455.db2.gz SKNRZALYNHHAFV-UHFFFAOYSA-N 1 3 377.532 3.984 20 0 GHADHO CN(C)CC[NH+]1CCC(N[C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924632839 931456860 /nfs/dbraw/zinc/45/68/60/931456860.db2.gz OFRGCBUNCAWUII-QHCPKHFHSA-N 1 3 378.520 3.533 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000796797349 932071210 /nfs/dbraw/zinc/07/12/10/932071210.db2.gz UHQXIBFXIGUDAA-XQUALCHDSA-N 1 3 380.532 3.761 20 0 GHADHO CC(C)N1CCC([NH2+]C[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000797021851 932149990 /nfs/dbraw/zinc/14/99/90/932149990.db2.gz KZVRUUQZCODKFQ-NRFANRHFSA-N 1 3 387.568 3.983 20 0 GHADHO Cc1ccc([C@H](NCC2CC[NH+](C3CCOCC3)CC2)c2cccnc2)cc1 ZINC000926678639 932269546 /nfs/dbraw/zinc/26/95/46/932269546.db2.gz SNHPJLKUCFUHLT-DEOSSOPVSA-N 1 3 379.548 3.960 20 0 GHADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879954 932334782 /nfs/dbraw/zinc/33/47/82/932334782.db2.gz MZOQXHFSQYDQJS-WEBKGQRMSA-N 1 3 376.488 3.897 20 0 GHADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879954 932334789 /nfs/dbraw/zinc/33/47/89/932334789.db2.gz MZOQXHFSQYDQJS-WEBKGQRMSA-N 1 3 376.488 3.897 20 0 GHADHO Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc(Cl)n1 ZINC000797600417 932340285 /nfs/dbraw/zinc/34/02/85/932340285.db2.gz UBFJIWIQLUOMBF-OAHLLOKOSA-N 1 3 376.907 3.785 20 0 GHADHO O=C(CN1CCCCCCC1)Nc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000777663142 932749236 /nfs/dbraw/zinc/74/92/36/932749236.db2.gz AWZBDQOOHITWLE-FCHUYYIVSA-N 1 3 384.568 3.930 20 0 GHADHO O=C(CN1CCCCCCC1)Nc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000777663142 932749242 /nfs/dbraw/zinc/74/92/42/932749242.db2.gz AWZBDQOOHITWLE-FCHUYYIVSA-N 1 3 384.568 3.930 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4cnn(C(C)C)c4c3)CC2)CC1 ZINC000561208250 933960103 /nfs/dbraw/zinc/96/01/03/933960103.db2.gz SOLKBXOGENJHHN-UHFFFAOYSA-N 1 3 397.567 3.752 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCSc3ccncc3)C2)ccn1 ZINC000931093944 934374590 /nfs/dbraw/zinc/37/45/90/934374590.db2.gz JZCIXXCRGFDGEA-HXUWFJFHSA-N 1 3 386.565 3.562 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCSc3ccncc3)C2)ccn1 ZINC000931093944 934374601 /nfs/dbraw/zinc/37/46/01/934374601.db2.gz JZCIXXCRGFDGEA-HXUWFJFHSA-N 1 3 386.565 3.562 20 0 GHADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000562082635 934680404 /nfs/dbraw/zinc/68/04/04/934680404.db2.gz RPCCZJSTTUUUOF-QHCPKHFHSA-N 1 3 389.547 3.968 20 0 GHADHO COc1ccc(F)c(C[NH+]2CCC3(C[C@H](N(C)Cc4ccco4)CO3)CC2)c1 ZINC001137992163 935913107 /nfs/dbraw/zinc/91/31/07/935913107.db2.gz KSULVMYZAHEAPF-SFHVURJKSA-N 1 3 388.483 3.683 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001221088848 1032279815 /nfs/dbraw/zinc/27/98/15/1032279815.db2.gz YCTBIALKFGNUNM-OALUTQOASA-N 1 3 390.597 3.591 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001221088848 1032279828 /nfs/dbraw/zinc/27/98/28/1032279828.db2.gz YCTBIALKFGNUNM-OALUTQOASA-N 1 3 390.597 3.591 20 0 GHADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2c(ccc3ccccc23)o1 ZINC000925852000 1017163009 /nfs/dbraw/zinc/16/30/09/1017163009.db2.gz BOHMWUANKZFYQI-NVXWUHKLSA-N 1 3 378.472 3.922 20 0 GHADHO C(CN1CCC[C@H](C2CCOCC2)C1)C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933080421 1018838440 /nfs/dbraw/zinc/83/84/40/1018838440.db2.gz DKSHLBAAWSNPJW-GOTSBHOMSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@H](C2CCOCC2)C1)C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933080421 1018838459 /nfs/dbraw/zinc/83/84/59/1018838459.db2.gz DKSHLBAAWSNPJW-GOTSBHOMSA-N 1 3 378.601 3.654 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000563377177 1018909285 /nfs/dbraw/zinc/90/92/85/1018909285.db2.gz RQSLXDXTVTXTJN-DEOSSOPVSA-N 1 3 397.607 3.807 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1)c1ccco1 ZINC001228188707 1032831250 /nfs/dbraw/zinc/83/12/50/1032831250.db2.gz DNDBZSCRXWXYAE-XUVXKRRUSA-N 1 3 392.588 3.909 20 0 GHADHO CN(Cc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1)C1CC1 ZINC001156318108 1032982415 /nfs/dbraw/zinc/98/24/15/1032982415.db2.gz QJJBDEWZKKHDMK-MDNUFGMLSA-N 1 3 376.548 3.998 20 0 GHADHO CN(Cc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1)C1CC1 ZINC001156318108 1032982416 /nfs/dbraw/zinc/98/24/16/1032982416.db2.gz QJJBDEWZKKHDMK-MDNUFGMLSA-N 1 3 376.548 3.998 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4ccncc34)C[C@H]21 ZINC001140803066 1022574055 /nfs/dbraw/zinc/57/40/55/1022574055.db2.gz KHXWKMDBPZFNCX-AMHTUMDSSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4ccncc34)C[C@H]21 ZINC001140803066 1022574065 /nfs/dbraw/zinc/57/40/65/1022574065.db2.gz KHXWKMDBPZFNCX-AMHTUMDSSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4cc[nH]cc3-4)C[C@H]21 ZINC001140803066 1022574077 /nfs/dbraw/zinc/57/40/77/1022574077.db2.gz KHXWKMDBPZFNCX-AMHTUMDSSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4cc[nH]cc3-4)C[C@H]21 ZINC001140803066 1022574091 /nfs/dbraw/zinc/57/40/91/1022574091.db2.gz KHXWKMDBPZFNCX-AMHTUMDSSA-N 1 3 375.520 3.690 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c(N)cccc1F)CC2 ZINC001140874276 1022762408 /nfs/dbraw/zinc/76/24/08/1022762408.db2.gz PKMPTFNVJBDWJD-LJQANCHMSA-N 1 3 383.511 3.663 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c(N)cccc1F)CC2 ZINC001140874276 1022762414 /nfs/dbraw/zinc/76/24/14/1022762414.db2.gz PKMPTFNVJBDWJD-LJQANCHMSA-N 1 3 383.511 3.663 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001204870418 1033133263 /nfs/dbraw/zinc/13/32/63/1033133263.db2.gz SRKPLRWVRLKDCT-HXUWFJFHSA-N 1 3 384.593 3.625 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC001138086737 1024031967 /nfs/dbraw/zinc/03/19/67/1024031967.db2.gz MNIMQJUFNXPCED-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(CN4CCCCC4)o3)CC2)cc1 ZINC001141294355 1024429172 /nfs/dbraw/zinc/42/91/72/1024429172.db2.gz BRSUIOPWIKIPGQ-UHFFFAOYSA-N 1 3 395.547 3.922 20 0 GHADHO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(CN4CCCCC4)o3)CC2)cc1 ZINC001141294355 1024429176 /nfs/dbraw/zinc/42/91/76/1024429176.db2.gz BRSUIOPWIKIPGQ-UHFFFAOYSA-N 1 3 395.547 3.922 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]21 ZINC001139332193 1026192762 /nfs/dbraw/zinc/19/27/62/1026192762.db2.gz JEDKTFXBZSEJII-HJOGWXRNSA-N 1 3 387.531 3.878 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]21 ZINC001139332193 1026192770 /nfs/dbraw/zinc/19/27/70/1026192770.db2.gz JEDKTFXBZSEJII-HJOGWXRNSA-N 1 3 387.531 3.878 20 0 GHADHO C[C@@]1(NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001164394761 1026506000 /nfs/dbraw/zinc/50/60/00/1026506000.db2.gz UMELNEUFJNBFDL-XMMPIXPASA-N 1 3 386.499 3.642 20 0 GHADHO C[C@@]1(NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001164394761 1026506005 /nfs/dbraw/zinc/50/60/05/1026506005.db2.gz UMELNEUFJNBFDL-XMMPIXPASA-N 1 3 386.499 3.642 20 0 GHADHO COc1cccc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1OC ZINC001203446818 1027345059 /nfs/dbraw/zinc/34/50/59/1027345059.db2.gz SWWVBPKIUKMNAY-UHFFFAOYSA-N 1 3 395.547 3.975 20 0 GHADHO COc1cccc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1OC ZINC001203446818 1027345072 /nfs/dbraw/zinc/34/50/72/1027345072.db2.gz SWWVBPKIUKMNAY-UHFFFAOYSA-N 1 3 395.547 3.975 20 0 GHADHO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000841078658 1028098271 /nfs/dbraw/zinc/09/82/71/1028098271.db2.gz HKTBVKBWSCSWFL-QGZVFWFLSA-N 1 3 379.335 3.778 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)ccc1OC ZINC000841763538 1028920165 /nfs/dbraw/zinc/92/01/65/1028920165.db2.gz ZMFJPZNATHEYMW-SFHVURJKSA-N 1 3 392.584 3.755 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cc1CN1CCCCC1 ZINC000841764311 1028920757 /nfs/dbraw/zinc/92/07/57/1028920757.db2.gz GPCMKOTVYLXUSJ-APWZRJJASA-N 1 3 381.511 3.671 20 0 GHADHO Cc1cc2oc(=O)cc(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)c2cc1C(C)C ZINC000842479247 1029316409 /nfs/dbraw/zinc/31/64/09/1029316409.db2.gz RCIKBEXJCXFWGW-XUZZJYLKSA-N 1 3 398.547 3.943 20 0 GHADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364019 1029941125 /nfs/dbraw/zinc/94/11/25/1029941125.db2.gz KQHFXQUIMRGKPS-ZIAGYGMSSA-N 1 3 384.351 3.635 20 0 GHADHO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1CN1CCC2(C[NH2+]C2)CC1 ZINC001222203956 1030000460 /nfs/dbraw/zinc/00/04/60/1030000460.db2.gz QSCNMIQNIBMUON-UHFFFAOYSA-N 1 3 382.348 3.918 20 0 GHADHO Brc1cc(CN2CCC3(CCC[NH2+]C3)CC2)ccc1-n1ccnc1 ZINC001222457475 1030143933 /nfs/dbraw/zinc/14/39/33/1030143933.db2.gz LKCXFACYCGPTCU-UHFFFAOYSA-N 1 3 389.341 3.600 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1CN1CCC(F)(C[NH3+])CC1 ZINC001222552650 1030194372 /nfs/dbraw/zinc/19/43/72/1030194372.db2.gz HJVHLARXLLIRKJ-UHFFFAOYSA-N 1 3 376.447 3.773 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001223507489 1030610000 /nfs/dbraw/zinc/61/00/00/1030610000.db2.gz DRDJRKYHYNZJFW-MJGOQNOKSA-N 1 3 390.597 3.591 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001223507489 1030610015 /nfs/dbraw/zinc/61/00/15/1030610015.db2.gz DRDJRKYHYNZJFW-MJGOQNOKSA-N 1 3 390.597 3.591 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC001224563300 1031048698 /nfs/dbraw/zinc/04/86/98/1031048698.db2.gz KOJJZRRJZBLDHQ-OAQYLSRUSA-N 1 3 380.621 3.508 20 0 GHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC001224563300 1031048713 /nfs/dbraw/zinc/04/87/13/1031048713.db2.gz KOJJZRRJZBLDHQ-OAQYLSRUSA-N 1 3 380.621 3.508 20 0 GHADHO [NH3+]CCN(C(=O)[C@H]1CCC[C@@H](c2ccccc2)N1)C12CC3CC(CC(C3)C1)C2 ZINC001220538291 1031982072 /nfs/dbraw/zinc/98/20/72/1031982072.db2.gz JFVUHXWVSSAECN-BNQMSFJOSA-N 1 3 381.564 3.626 20 0 GHADHO CC(=O)NC[C@@H]1CCC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001461836668 1069781787 /nfs/dbraw/zinc/78/17/87/1069781787.db2.gz AOHPYKDPYNUHPR-LADGPHEKSA-N 1 3 385.596 3.773 20 0 GHADHO CC(=O)NC[C@@H]1CCC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001461836668 1069781794 /nfs/dbraw/zinc/78/17/94/1069781794.db2.gz AOHPYKDPYNUHPR-LADGPHEKSA-N 1 3 385.596 3.773 20 0 GHADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccccc2-c2ccc(OC(F)(F)F)cc2)C1 ZINC001205725847 1033547655 /nfs/dbraw/zinc/54/76/55/1033547655.db2.gz MCEZPQOSRCSSBP-FQEVSTJZSA-N 1 3 394.437 3.928 20 0 GHADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccc(OC(F)(F)F)cc2)C1 ZINC001205725847 1033547662 /nfs/dbraw/zinc/54/76/62/1033547662.db2.gz MCEZPQOSRCSSBP-FQEVSTJZSA-N 1 3 394.437 3.928 20 0 GHADHO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001205813966 1033586673 /nfs/dbraw/zinc/58/66/73/1033586673.db2.gz AOPUWBOYUKMHSL-XUZZJYLKSA-N 1 3 392.591 3.568 20 0 GHADHO C[C@@]1(F)CCCN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)CC1 ZINC001205852149 1033608057 /nfs/dbraw/zinc/60/80/57/1033608057.db2.gz FUVOGNSRMLAWLK-GOSISDBHSA-N 1 3 384.337 3.573 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001207092303 1034087384 /nfs/dbraw/zinc/08/73/84/1034087384.db2.gz DHSUYSNPFDYGNJ-DENIHFKCSA-N 1 3 380.532 3.906 20 0 GHADHO CC(C)(C)OC(=O)NC12CC(CC[NH+]3CCC(N4CCCCC4)CC3)(C1)C2 ZINC001207224195 1034191936 /nfs/dbraw/zinc/19/19/36/1034191936.db2.gz NKMWAEVOEADIOO-UHFFFAOYSA-N 1 3 377.573 3.774 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCc1cccc(Cl)c1)C2 ZINC001207588745 1034467523 /nfs/dbraw/zinc/46/75/23/1034467523.db2.gz VMLCDKKDHZAIOE-UNMCSNQZSA-N 1 3 376.972 3.953 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCc1cccc(Cl)c1)C2 ZINC001207588745 1034467531 /nfs/dbraw/zinc/46/75/31/1034467531.db2.gz VMLCDKKDHZAIOE-UNMCSNQZSA-N 1 3 376.972 3.953 20 0 GHADHO CC(C)(C)c1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460355 1034606136 /nfs/dbraw/zinc/60/61/36/1034606136.db2.gz HYMWWFAZYAPRLY-UHFFFAOYSA-N 1 3 377.536 3.684 20 0 GHADHO Cc1nnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c2ccccc12 ZINC001159467940 1034609720 /nfs/dbraw/zinc/60/97/20/1034609720.db2.gz UEMKBDULUXXVJF-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO [NH3+]Cc1cncc(Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC001159478182 1034612548 /nfs/dbraw/zinc/61/25/48/1034612548.db2.gz HFNUVVLWVCBOIM-UHFFFAOYSA-N 1 3 387.531 3.602 20 0 GHADHO COc1ccnc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001159514546 1034630474 /nfs/dbraw/zinc/63/04/74/1034630474.db2.gz CNTFTDORFJQGAJ-NRFANRHFSA-N 1 3 377.488 3.565 20 0 GHADHO CCN1C(=O)[C@@H](c2ccccc2)CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208187494 1034784804 /nfs/dbraw/zinc/78/48/04/1034784804.db2.gz XMMDBPZYLADYGU-JOCHJYFZSA-N 1 3 397.607 3.979 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001231641155 1034798168 /nfs/dbraw/zinc/79/81/68/1034798168.db2.gz RXULSXDQBHYVAW-QHCPKHFHSA-N 1 3 379.548 3.900 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001231641155 1034798181 /nfs/dbraw/zinc/79/81/81/1034798181.db2.gz RXULSXDQBHYVAW-QHCPKHFHSA-N 1 3 379.548 3.900 20 0 GHADHO CN1CCN(Cc2ccc(Nc3ccccc3OCC3CC[NH2+]CC3)cc2)CC1 ZINC001160188147 1034894627 /nfs/dbraw/zinc/89/46/27/1034894627.db2.gz MWVDZIFJGIFFIT-UHFFFAOYSA-N 1 3 394.563 3.556 20 0 GHADHO CN1CCN(Cc2cccc(Nc3ccccc3OCC3CC[NH2+]CC3)c2)CC1 ZINC001160188472 1034895308 /nfs/dbraw/zinc/89/53/08/1034895308.db2.gz XNUYMLHKYBGRPV-UHFFFAOYSA-N 1 3 394.563 3.556 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001231908145 1034983288 /nfs/dbraw/zinc/98/32/88/1034983288.db2.gz YVGQZNHOJGSMBI-IBGZPJMESA-N 1 3 396.560 3.880 20 0 GHADHO CC/C=C\CCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001208726889 1034991235 /nfs/dbraw/zinc/99/12/35/1034991235.db2.gz DQIQSZUKZHIOJR-AXHUIFFRSA-N 1 3 383.580 3.988 20 0 GHADHO CC/C=C\CCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001208726889 1034991241 /nfs/dbraw/zinc/99/12/41/1034991241.db2.gz DQIQSZUKZHIOJR-AXHUIFFRSA-N 1 3 383.580 3.988 20 0 GHADHO c1ccc(COCCOCC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001208752463 1034999634 /nfs/dbraw/zinc/99/96/34/1034999634.db2.gz QNBZSLMRULDFHI-VWLOTQADSA-N 1 3 394.559 3.818 20 0 GHADHO c1ccc(COCCOCC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001208752463 1034999638 /nfs/dbraw/zinc/99/96/38/1034999638.db2.gz QNBZSLMRULDFHI-VWLOTQADSA-N 1 3 394.559 3.818 20 0 GHADHO COCCN(Cc1ccc(Br)c2cccnc12)C1CC[NH+](C)CC1 ZINC001231956566 1035005727 /nfs/dbraw/zinc/00/57/27/1035005727.db2.gz VRGRWDVTVYHECH-UHFFFAOYSA-N 1 3 392.341 3.540 20 0 GHADHO O=C([C@H]1CCCC[NH2+]C1)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160680214 1035033419 /nfs/dbraw/zinc/03/34/19/1035033419.db2.gz RONNZEKQLVXPOU-BJKOFHAPSA-N 1 3 391.559 3.679 20 0 GHADHO C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160735721 1035049869 /nfs/dbraw/zinc/04/98/69/1035049869.db2.gz XOIOYYWZMMQQMR-HZMBPMFUSA-N 1 3 399.379 3.700 20 0 GHADHO Cn1cc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)c(C(F)(F)F)n1 ZINC001232094061 1035091269 /nfs/dbraw/zinc/09/12/69/1035091269.db2.gz YFJOXVJWEGBVAW-QGZVFWFLSA-N 1 3 396.457 3.909 20 0 GHADHO Cn1cc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)c(C(F)(F)F)n1 ZINC001232094061 1035091277 /nfs/dbraw/zinc/09/12/77/1035091277.db2.gz YFJOXVJWEGBVAW-QGZVFWFLSA-N 1 3 396.457 3.909 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208941517 1035110331 /nfs/dbraw/zinc/11/03/31/1035110331.db2.gz LFHTZSQLQIADSK-MZYLBHOOSA-N 1 3 378.516 3.745 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208941517 1035110339 /nfs/dbraw/zinc/11/03/39/1035110339.db2.gz LFHTZSQLQIADSK-MZYLBHOOSA-N 1 3 378.516 3.745 20 0 GHADHO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](C[C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001208944508 1035116033 /nfs/dbraw/zinc/11/60/33/1035116033.db2.gz XAJCFBGCPFXXOI-QFIPXVFZSA-N 1 3 392.543 3.672 20 0 GHADHO CCOC(=O)Cc1ccc2c(c1)C[N@H+](C[C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001208944508 1035116035 /nfs/dbraw/zinc/11/60/35/1035116035.db2.gz XAJCFBGCPFXXOI-QFIPXVFZSA-N 1 3 392.543 3.672 20 0 GHADHO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208949868 1035120228 /nfs/dbraw/zinc/12/02/28/1035120228.db2.gz ZEJIRNVQJMJFAM-NFBKMPQASA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208949868 1035120230 /nfs/dbraw/zinc/12/02/30/1035120230.db2.gz ZEJIRNVQJMJFAM-NFBKMPQASA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208949870 1035120526 /nfs/dbraw/zinc/12/05/26/1035120526.db2.gz ZEJIRNVQJMJFAM-OFNKIYASSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208949870 1035120528 /nfs/dbraw/zinc/12/05/28/1035120528.db2.gz ZEJIRNVQJMJFAM-OFNKIYASSA-N 1 3 387.568 3.888 20 0 GHADHO CC[NH+]1CCC(CC2CCN(C(=O)[C@@H](N)Cc3ccc(C)cc3C)CC2)CC1 ZINC001161046576 1035124927 /nfs/dbraw/zinc/12/49/27/1035124927.db2.gz NHYJDTMHBPQOCX-QHCPKHFHSA-N 1 3 385.596 3.534 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952533 1035126273 /nfs/dbraw/zinc/12/62/73/1035126273.db2.gz KDASLHNHYRGYKK-NHCUHLMSSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952533 1035126275 /nfs/dbraw/zinc/12/62/75/1035126275.db2.gz KDASLHNHYRGYKK-NHCUHLMSSA-N 1 3 387.568 3.888 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H](Nc3ncc4c(n3)CCNC4)[C@H](c3ccccc3)C2)cc1 ZINC001161458566 1035235565 /nfs/dbraw/zinc/23/55/65/1035235565.db2.gz VHSBONQOSMVTIV-LADGPHEKSA-N 1 3 399.542 3.593 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H](Nc3ncc4c(n3)CCNC4)[C@H](c3ccccc3)C2)cc1 ZINC001161458566 1035235568 /nfs/dbraw/zinc/23/55/68/1035235568.db2.gz VHSBONQOSMVTIV-LADGPHEKSA-N 1 3 399.542 3.593 20 0 GHADHO CCC[NH+](CCC)CCCN1CCN(CCCCCCC(=O)OCC)CC1 ZINC001209354379 1035250385 /nfs/dbraw/zinc/25/03/85/1035250385.db2.gz KPPIIMUJKKUKFK-UHFFFAOYSA-N 1 3 383.621 3.630 20 0 GHADHO C[C@H]1CC(C[N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383595 1035264723 /nfs/dbraw/zinc/26/47/23/1035264723.db2.gz XHHJYEGBIBGEHZ-WJNSRDFLSA-N 1 3 390.612 3.651 20 0 GHADHO C[C@H]1CC(C[N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383595 1035264728 /nfs/dbraw/zinc/26/47/28/1035264728.db2.gz XHHJYEGBIBGEHZ-WJNSRDFLSA-N 1 3 390.612 3.651 20 0 GHADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC001462078267 1069982452 /nfs/dbraw/zinc/98/24/52/1069982452.db2.gz BYJXTAJMZWLEPR-XDNAFOTISA-N 1 3 386.527 3.986 20 0 GHADHO CN1CCN(c2cccc(-c3ccc(-c4c[nH]c([C@@H]5CCC[NH2+]5)n4)cc3)c2)CC1 ZINC001243670737 1036248192 /nfs/dbraw/zinc/24/81/92/1036248192.db2.gz AIAGNSHMTXOZLE-QFIPXVFZSA-N 1 3 387.531 3.920 20 0 GHADHO c1c([C@@H]2CNCCO2)cn2c1cccc2-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001245407956 1036911203 /nfs/dbraw/zinc/91/12/03/1036911203.db2.gz NDFUFRFQYXSDQG-DEOSSOPVSA-N 1 3 391.515 3.536 20 0 GHADHO COCCC1([NH2+]C[C@@](O)(CCc2ccc(Cl)cc2)C(C)(C)C)CCNCC1 ZINC001245999902 1037121421 /nfs/dbraw/zinc/12/14/21/1037121421.db2.gz YAKVZECEVNOAJS-QFIPXVFZSA-N 1 3 397.003 3.798 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCSC[C@H]1c1cccc2ccccc21 ZINC001246058372 1037171451 /nfs/dbraw/zinc/17/14/51/1037171451.db2.gz KQZDBELKFGYJPA-KMDXXIMOSA-N 1 3 392.568 3.861 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCSC[C@H]1c1cccc2ccccc21 ZINC001246058372 1037171453 /nfs/dbraw/zinc/17/14/53/1037171453.db2.gz KQZDBELKFGYJPA-KMDXXIMOSA-N 1 3 392.568 3.861 20 0 GHADHO CCCN(C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)C1CC[NH2+]CC1 ZINC001246060006 1037172334 /nfs/dbraw/zinc/17/23/34/1037172334.db2.gz BSOCMVFFOTYNKI-GOSISDBHSA-N 1 3 381.520 3.525 20 0 GHADHO CCC[N@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)C1CCNCC1 ZINC001246060006 1037172353 /nfs/dbraw/zinc/17/23/53/1037172353.db2.gz BSOCMVFFOTYNKI-GOSISDBHSA-N 1 3 381.520 3.525 20 0 GHADHO CCC[N@@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)C1CCNCC1 ZINC001246060006 1037172378 /nfs/dbraw/zinc/17/23/78/1037172378.db2.gz BSOCMVFFOTYNKI-GOSISDBHSA-N 1 3 381.520 3.525 20 0 GHADHO CCCC[C@@H]1C[C@@H](N[C@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246266088 1037265720 /nfs/dbraw/zinc/26/57/20/1037265720.db2.gz FUFVUGCZEDRRKG-SQNIBIBYSA-N 1 3 398.332 3.659 20 0 GHADHO COC(=O)C(CNC1C[C@H](C)[NH2+][C@@H](C)C1)(Cc1ccccc1)Cc1ccccc1 ZINC001246330203 1037298429 /nfs/dbraw/zinc/29/84/29/1037298429.db2.gz SCCNLOZDHVDXNL-PMACEKPBSA-N 1 3 394.559 3.750 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)cc1F ZINC001246353815 1037312644 /nfs/dbraw/zinc/31/26/44/1037312644.db2.gz GGDXVNXPWFDAFW-YADHBBJMSA-N 1 3 399.529 3.882 20 0 GHADHO COc1cccc(CN2CC[C@H](N[C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361966 1037323454 /nfs/dbraw/zinc/32/34/54/1037323454.db2.gz PPONRKLZUBANGS-ZFGGDYGUSA-N 1 3 397.538 3.800 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)CC1 ZINC001246379758 1037338969 /nfs/dbraw/zinc/33/89/69/1037338969.db2.gz CDJBCOMZWLIEAE-WMZOPIPTSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246385732 1037347156 /nfs/dbraw/zinc/34/71/56/1037347156.db2.gz DHROUHUSFLEHOE-HKUYNNGSSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2(Cc3ccc(F)cc3)CCNCC2)cc1 ZINC001246387086 1037347857 /nfs/dbraw/zinc/34/78/57/1037347857.db2.gz BEOWYXIVPMEGGU-SFHVURJKSA-N 1 3 398.522 3.888 20 0 GHADHO FC(F)(F)c1ccc(C2([NH2+][C@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246420761 1037377580 /nfs/dbraw/zinc/37/75/80/1037377580.db2.gz GBTBMPOGWYBXMR-LSDHHAIUSA-N 1 3 395.391 3.557 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H](NC[C@]3(CC4CC4)CCC[NH2+]3)CC[C@H]2C1 ZINC001246462356 1037418138 /nfs/dbraw/zinc/41/81/38/1037418138.db2.gz QDAJJIPWCUEIEP-LYGMZBLVSA-N 1 3 395.591 3.829 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+]3CCC[C@]34CCCNC4)CC[C@H]2C1 ZINC001246610648 1037502562 /nfs/dbraw/zinc/50/25/62/1037502562.db2.gz QXFYDUPLVIRBIR-CDNNERCOSA-N 1 3 381.564 3.535 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCC[C@]34CCCNC4)CC[C@H]2C1 ZINC001246610648 1037502581 /nfs/dbraw/zinc/50/25/81/1037502581.db2.gz QXFYDUPLVIRBIR-CDNNERCOSA-N 1 3 381.564 3.535 20 0 GHADHO CC1(C)COC2(CCC([N@@H+]3CC[C@]4(c5ccccc5)CCNC[C@H]4C3)CC2)OC1 ZINC001246675672 1037543797 /nfs/dbraw/zinc/54/37/97/1037543797.db2.gz XNAMLQMBZXRKQC-URXFXBBRSA-N 1 3 398.591 3.952 20 0 GHADHO CC1(C)COC2(CCC([N@H+]3CC[C@]4(c5ccccc5)CCNC[C@H]4C3)CC2)OC1 ZINC001246675672 1037543808 /nfs/dbraw/zinc/54/38/08/1037543808.db2.gz XNAMLQMBZXRKQC-URXFXBBRSA-N 1 3 398.591 3.952 20 0 GHADHO CC[C@@H]1C[C@@H](N2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246707532 1037561740 /nfs/dbraw/zinc/56/17/40/1037561740.db2.gz BHLYSBJAWULHOE-FLQYYVGBSA-N 1 3 387.568 3.641 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246710707 1037562390 /nfs/dbraw/zinc/56/23/90/1037562390.db2.gz SRNPHADTNVPKJT-XQBPLPMBSA-N 1 3 389.609 3.987 20 0 GHADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246716330 1037567318 /nfs/dbraw/zinc/56/73/18/1037567318.db2.gz CZRUPKLHBQQKOB-HCOVKFPFSA-N 1 3 395.572 3.711 20 0 GHADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246716330 1037567342 /nfs/dbraw/zinc/56/73/42/1037567342.db2.gz CZRUPKLHBQQKOB-HCOVKFPFSA-N 1 3 395.572 3.711 20 0 GHADHO CC[C@@H]1C[C@H](N2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@H](CC)[NH2+]1 ZINC001246722386 1037573422 /nfs/dbraw/zinc/57/34/22/1037573422.db2.gz NQFXQODGTXPDIA-FCIYXJNOSA-N 1 3 389.609 3.985 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CCN1 ZINC001246729147 1037577983 /nfs/dbraw/zinc/57/79/83/1037577983.db2.gz NNGXEJVJFHBIHD-CQOQZXRMSA-N 1 3 383.580 3.730 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CCN1 ZINC001246729147 1037578002 /nfs/dbraw/zinc/57/80/02/1037578002.db2.gz NNGXEJVJFHBIHD-CQOQZXRMSA-N 1 3 383.580 3.730 20 0 GHADHO Cc1cccc(N2C[C@]3(CCN([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)c1 ZINC001246750136 1037591517 /nfs/dbraw/zinc/59/15/17/1037591517.db2.gz SVUKTNASVVPIFF-FYYLOGMGSA-N 1 3 381.564 3.879 20 0 GHADHO O=C1C[C@]2(CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1cccc(F)c1 ZINC001246759176 1037601870 /nfs/dbraw/zinc/60/18/70/1037601870.db2.gz QLWZOHGWXVPKOO-IRLDBZIGSA-N 1 3 385.527 3.709 20 0 GHADHO CC[C@@H]1C[C@H](N2CCN[C@@H](c3cccc(Br)c3)C2)C[C@H](CC)[NH2+]1 ZINC001246804196 1037637802 /nfs/dbraw/zinc/63/78/02/1037637802.db2.gz DYFLLQGSLIHUOM-YDZRNGNQSA-N 1 3 380.374 3.705 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@H]4CCN(Cc5ccccc5)[C@@H]4C3)CCN2)cc1 ZINC001246805615 1037641122 /nfs/dbraw/zinc/64/11/22/1037641122.db2.gz KLULTRZVEOXQBC-ZGFBMJKBSA-N 1 3 375.560 3.556 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@H]4CCN(Cc5ccccc5)[C@@H]4C3)CCN2)cc1 ZINC001246805615 1037641130 /nfs/dbraw/zinc/64/11/30/1037641130.db2.gz KLULTRZVEOXQBC-ZGFBMJKBSA-N 1 3 375.560 3.556 20 0 GHADHO O=C1N(CC2CC2)c2ccccc2[C@@]12CCN([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246808189 1037642698 /nfs/dbraw/zinc/64/26/98/1037642698.db2.gz RLPLFYUUXMVLAD-NLFFAJNJSA-N 1 3 393.575 3.842 20 0 GHADHO c1ccc(C[C@H]2C[C@H](N3CCC4(CC3)OCCc3ccccc34)CC[NH2+]2)cc1 ZINC001246836233 1037665073 /nfs/dbraw/zinc/66/50/73/1037665073.db2.gz NJPGKCMVMCASGD-XZOQPEGZSA-N 1 3 376.544 3.914 20 0 GHADHO c1ccc(C[C@H]2C[C@H]([NH+]3CCC4(CC3)OCCc3ccccc34)CCN2)cc1 ZINC001246836233 1037665081 /nfs/dbraw/zinc/66/50/81/1037665081.db2.gz NJPGKCMVMCASGD-XZOQPEGZSA-N 1 3 376.544 3.914 20 0 GHADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246875971 1037687878 /nfs/dbraw/zinc/68/78/78/1037687878.db2.gz KJQCLWIUQTWBMC-NJYVYQBISA-N 1 3 380.532 3.639 20 0 GHADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246875969 1037689097 /nfs/dbraw/zinc/68/90/97/1037689097.db2.gz KJQCLWIUQTWBMC-HKBOAZHASA-N 1 3 380.532 3.639 20 0 GHADHO O=C1CC[C@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936892 1037743220 /nfs/dbraw/zinc/74/32/20/1037743220.db2.gz KKSIVZWBXSEGCK-GMAHTHKFSA-N 1 3 383.580 3.812 20 0 GHADHO O=C1CC[C@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936892 1037743241 /nfs/dbraw/zinc/74/32/41/1037743241.db2.gz KKSIVZWBXSEGCK-GMAHTHKFSA-N 1 3 383.580 3.812 20 0 GHADHO CCOC(=O)N1CCC[C@@H](N(Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246951493 1037756682 /nfs/dbraw/zinc/75/66/82/1037756682.db2.gz KEYKJAOTBRDILI-HXUWFJFHSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951493 1037756702 /nfs/dbraw/zinc/75/67/02/1037756702.db2.gz KEYKJAOTBRDILI-HXUWFJFHSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951493 1037756728 /nfs/dbraw/zinc/75/67/28/1037756728.db2.gz KEYKJAOTBRDILI-HXUWFJFHSA-N 1 3 391.531 3.699 20 0 GHADHO COC(=O)c1ccc(C[C@@H](C)[N@H+](Cc2ccc(OC)cc2)C2CCNCC2)cc1 ZINC001246956661 1037767051 /nfs/dbraw/zinc/76/70/51/1037767051.db2.gz ZMTMMXUVBKRJRL-GOSISDBHSA-N 1 3 396.531 3.667 20 0 GHADHO COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2ccc(OC)cc2)C2CCNCC2)cc1 ZINC001246956661 1037767071 /nfs/dbraw/zinc/76/70/71/1037767071.db2.gz ZMTMMXUVBKRJRL-GOSISDBHSA-N 1 3 396.531 3.667 20 0 GHADHO COC(=O)c1ccc(C[C@@H](C)N(Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001246956661 1037767087 /nfs/dbraw/zinc/76/70/87/1037767087.db2.gz ZMTMMXUVBKRJRL-GOSISDBHSA-N 1 3 396.531 3.667 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246957547 1037771391 /nfs/dbraw/zinc/77/13/91/1037771391.db2.gz BUMQBTXHZIEFJN-DYESRHJHSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246957547 1037771412 /nfs/dbraw/zinc/77/14/12/1037771412.db2.gz BUMQBTXHZIEFJN-DYESRHJHSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C1CCC(N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246959620 1037778681 /nfs/dbraw/zinc/77/86/81/1037778681.db2.gz XAOZEYQSKJCURI-UHFFFAOYSA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C1CCC([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246959620 1037778703 /nfs/dbraw/zinc/77/87/03/1037778703.db2.gz XAOZEYQSKJCURI-UHFFFAOYSA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C1CCC([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246959620 1037778721 /nfs/dbraw/zinc/77/87/21/1037778721.db2.gz XAOZEYQSKJCURI-UHFFFAOYSA-N 1 3 380.479 3.641 20 0 GHADHO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001462237737 1070109980 /nfs/dbraw/zinc/10/99/80/1070109980.db2.gz ZHMVCOCZXDRMMW-WJMWBRGCSA-N 1 3 387.568 3.932 20 0 GHADHO c1ccc2cc(Oc3ccccc3-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)ccc2c1 ZINC001247830361 1038412476 /nfs/dbraw/zinc/41/24/76/1038412476.db2.gz NEBZITIQUYVHEZ-FQEVSTJZSA-N 1 3 398.466 3.959 20 0 GHADHO Cc1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cnc1C ZINC001233160206 1038933418 /nfs/dbraw/zinc/93/34/18/1038933418.db2.gz RUDXKDNKBLIPRD-HSZRJFAPSA-N 1 3 379.548 3.954 20 0 GHADHO Cc1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnc1C ZINC001233160206 1038933420 /nfs/dbraw/zinc/93/34/20/1038933420.db2.gz RUDXKDNKBLIPRD-HSZRJFAPSA-N 1 3 379.548 3.954 20 0 GHADHO COc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1Cl ZINC001253103056 1039424498 /nfs/dbraw/zinc/42/44/98/1039424498.db2.gz GJJFUBBPNJMEPZ-KRWDZBQOSA-N 1 3 387.955 3.947 20 0 GHADHO O[C@H](CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253360456 1039573701 /nfs/dbraw/zinc/57/37/01/1039573701.db2.gz GDGPERISXTVDPH-MIZPHKNDSA-N 1 3 386.486 3.842 20 0 GHADHO O[C@H](CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253360456 1039573715 /nfs/dbraw/zinc/57/37/15/1039573715.db2.gz GDGPERISXTVDPH-MIZPHKNDSA-N 1 3 386.486 3.842 20 0 GHADHO Cc1ccc(OC[C@H](O)C[NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)cc1 ZINC001253822287 1039828365 /nfs/dbraw/zinc/82/83/65/1039828365.db2.gz HKAYKXPOIPZFND-OFNKIYASSA-N 1 3 398.547 3.704 20 0 GHADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254193195 1040042171 /nfs/dbraw/zinc/04/21/71/1040042171.db2.gz VPHWUDVDYNYFKL-IBGZPJMESA-N 1 3 391.556 3.506 20 0 GHADHO c1ccc(CN2CC3(C2)CC[NH+](Cc2cccc(N4CCOCC4)c2)CC3)cc1 ZINC001235081362 1040566505 /nfs/dbraw/zinc/56/65/05/1040566505.db2.gz BXCJCYMYCUTWJR-UHFFFAOYSA-N 1 3 391.559 3.621 20 0 GHADHO Brc1cc2c(cc1CN1CCCC[C@H]1C1CC[NH2+]CC1)OCO2 ZINC001235158091 1040651745 /nfs/dbraw/zinc/65/17/45/1040651745.db2.gz UQWPHJWAPXAVBU-INIZCTEOSA-N 1 3 381.314 3.532 20 0 GHADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3ccc4c(c3)CNC4)C[C@H]21 ZINC001235257779 1040740112 /nfs/dbraw/zinc/74/01/12/1040740112.db2.gz PAFJYVRKESAJQP-CTNGQTDRSA-N 1 3 388.490 3.601 20 0 GHADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)CNC4)C[C@H]21 ZINC001235257779 1040740129 /nfs/dbraw/zinc/74/01/29/1040740129.db2.gz PAFJYVRKESAJQP-CTNGQTDRSA-N 1 3 388.490 3.601 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(OC4COC4)cc2)C3)cc1 ZINC001255127200 1040820917 /nfs/dbraw/zinc/82/09/17/1040820917.db2.gz SBGMTXDBPSIVGI-DKUWSORSSA-N 1 3 378.516 3.749 20 0 GHADHO c1ccc([C@]23CC[NH2+]C[C@H]2CN(Cc2cccc(-c4cncnc4)c2)CC3)cc1 ZINC001235361537 1040846157 /nfs/dbraw/zinc/84/61/57/1040846157.db2.gz FLGZHJPOUCMEPY-LOSJGSFVSA-N 1 3 384.527 3.897 20 0 GHADHO COc1cccnc1O[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150933 1040872271 /nfs/dbraw/zinc/87/22/71/1040872271.db2.gz QCEDPETZIBBEBR-LRSLUSHPSA-N 1 3 393.531 3.739 20 0 GHADHO COc1cccnc1O[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150933 1040872282 /nfs/dbraw/zinc/87/22/82/1040872282.db2.gz QCEDPETZIBBEBR-LRSLUSHPSA-N 1 3 393.531 3.739 20 0 GHADHO c1ccc([C@@]23CC[NH2+]C[C@@H]2CN(Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372332 1040877067 /nfs/dbraw/zinc/87/70/67/1040877067.db2.gz TYQCOUIVVISRLS-NOZRDPDXSA-N 1 3 384.527 3.897 20 0 GHADHO c1ccc([C@@]23CCNC[C@@H]2C[N@H+](Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372332 1040877077 /nfs/dbraw/zinc/87/70/77/1040877077.db2.gz TYQCOUIVVISRLS-NOZRDPDXSA-N 1 3 384.527 3.897 20 0 GHADHO c1ccc([C@@]23CCNC[C@@H]2C[N@@H+](Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372332 1040877093 /nfs/dbraw/zinc/87/70/93/1040877093.db2.gz TYQCOUIVVISRLS-NOZRDPDXSA-N 1 3 384.527 3.897 20 0 GHADHO COc1ccc(N(C)c2ccc(CN3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)cc2)cc1 ZINC001235394548 1040910155 /nfs/dbraw/zinc/91/01/55/1040910155.db2.gz DNPYDITVXCGNIQ-GCJKJVERSA-N 1 3 383.511 3.972 20 0 GHADHO Cc1cc(O[C@@H]2CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)ncn1 ZINC001255409623 1040997291 /nfs/dbraw/zinc/99/72/91/1040997291.db2.gz JEYGBIOMLIJOCP-FGZHOGPDSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cc(O[C@@H]2CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)ncn1 ZINC001255409623 1040997292 /nfs/dbraw/zinc/99/72/92/1040997292.db2.gz JEYGBIOMLIJOCP-FGZHOGPDSA-N 1 3 380.536 3.683 20 0 GHADHO CCOc1cc(CN2CCC(C3CC[NH2+]CC3)CC2)ccc1OC(=O)C(C)C ZINC001235706780 1041186746 /nfs/dbraw/zinc/18/67/46/1041186746.db2.gz XXIIBPNRRMDETP-UHFFFAOYSA-N 1 3 388.552 3.858 20 0 GHADHO CN(CCC1CC[NH2+]CC1)Cc1cc(Br)c(Br)o1 ZINC001235717403 1041202207 /nfs/dbraw/zinc/20/22/07/1041202207.db2.gz UHHZYMUTZNUNKX-UHFFFAOYSA-N 1 3 380.124 3.626 20 0 GHADHO FC(F)Oc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1OC(F)F ZINC001235887864 1041413034 /nfs/dbraw/zinc/41/30/34/1041413034.db2.gz KMNBLECLNKFQHS-CQSZACIVSA-N 1 3 376.394 3.853 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C1(CCOC)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255951752 1041432754 /nfs/dbraw/zinc/43/27/54/1041432754.db2.gz ALXMHJGVERXMAO-SFHVURJKSA-N 1 3 385.593 3.503 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255954641 1041435240 /nfs/dbraw/zinc/43/52/40/1041435240.db2.gz GSEOFHDCHSXQQK-IRXDYDNUSA-N 1 3 391.547 3.979 20 0 GHADHO CCN(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC001236005128 1041496421 /nfs/dbraw/zinc/49/64/21/1041496421.db2.gz AUXBJDXIMVBCEH-DEOSSOPVSA-N 1 3 392.591 3.583 20 0 GHADHO CCCN(Cc1cccc(N2CC[NH2+]CC2)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001236089746 1041527140 /nfs/dbraw/zinc/52/71/40/1041527140.db2.gz XHXLRKGMLHZCCU-FQEVSTJZSA-N 1 3 394.563 3.644 20 0 GHADHO CN(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220086 1041628991 /nfs/dbraw/zinc/62/89/91/1041628991.db2.gz YIELPWOUXSXBFD-NOZRDPDXSA-N 1 3 392.591 3.711 20 0 GHADHO COc1ccc(C[N@H+](CC2(c3ccccc3)CCOCC2)C2CCNCC2)cc1 ZINC001236442172 1041714166 /nfs/dbraw/zinc/71/41/66/1041714166.db2.gz YUNPMMDGVPLREE-UHFFFAOYSA-N 1 3 394.559 3.998 20 0 GHADHO COc1ccc(C[N@@H+](CC2(c3ccccc3)CCOCC2)C2CCNCC2)cc1 ZINC001236442172 1041714174 /nfs/dbraw/zinc/71/41/74/1041714174.db2.gz YUNPMMDGVPLREE-UHFFFAOYSA-N 1 3 394.559 3.998 20 0 GHADHO CCOC1CCC([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001256439058 1041732312 /nfs/dbraw/zinc/73/23/12/1041732312.db2.gz OEPYLHVHFQPBTP-ABZZFDDBSA-N 1 3 390.612 3.795 20 0 GHADHO CCOC1CCC([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001256439058 1041732320 /nfs/dbraw/zinc/73/23/20/1041732320.db2.gz OEPYLHVHFQPBTP-ABZZFDDBSA-N 1 3 390.612 3.795 20 0 GHADHO COC(=O)c1ccc(Br)c(CN(C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236576355 1041766435 /nfs/dbraw/zinc/76/64/35/1041766435.db2.gz KKUQXGMJWUUABK-JCNLHEQBSA-N 1 3 395.341 3.860 20 0 GHADHO Brc1cccc(O[C@@H]2CCN(Cc3cc4c(s3)C[NH2+]CC4)C2)c1 ZINC001237178113 1042079933 /nfs/dbraw/zinc/07/99/33/1042079933.db2.gz BWADQYYAQDMRKV-MRXNPFEDSA-N 1 3 393.350 3.810 20 0 GHADHO Cc1ccc(O)cc1C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001238098026 1042491194 /nfs/dbraw/zinc/49/11/94/1042491194.db2.gz UZPHQCSUJJSYCS-JOCHJYFZSA-N 1 3 380.532 3.956 20 0 GHADHO CN1CCN(C2(c3ccc(-c4ccccc4OCC[NH+](C)C)cc3)CC2)CC1 ZINC001240590011 1042944557 /nfs/dbraw/zinc/94/45/57/1042944557.db2.gz WRKXOVQMNCPNBH-UHFFFAOYSA-N 1 3 379.548 3.531 20 0 GHADHO C[C@@H]1C[C@@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256528873 1043457540 /nfs/dbraw/zinc/45/75/40/1043457540.db2.gz NDCTXUFYXQQNFG-VPJOFFEXSA-N 1 3 377.532 3.649 20 0 GHADHO C[C@@H]1C[C@@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256528873 1043457547 /nfs/dbraw/zinc/45/75/47/1043457547.db2.gz NDCTXUFYXQQNFG-VPJOFFEXSA-N 1 3 377.532 3.649 20 0 GHADHO C[C@H]1C[C@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542625 1043496352 /nfs/dbraw/zinc/49/63/52/1043496352.db2.gz PNHBUOWCGIDFHS-BDKRGJGYSA-N 1 3 399.579 3.981 20 0 GHADHO C[C@H]1C[C@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542625 1043496366 /nfs/dbraw/zinc/49/63/66/1043496366.db2.gz PNHBUOWCGIDFHS-BDKRGJGYSA-N 1 3 399.579 3.981 20 0 GHADHO O=C(c1ccccc1)c1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256677273 1043616661 /nfs/dbraw/zinc/61/66/61/1043616661.db2.gz AMMLTQOVRPODSL-UHFFFAOYSA-N 1 3 378.516 3.651 20 0 GHADHO COc1cccc2c1CC[C@@H](CCC[NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256686696 1043622039 /nfs/dbraw/zinc/62/20/39/1043622039.db2.gz BUQXBPCCHNBJDW-JSRJAPPDSA-N 1 3 386.580 3.813 20 0 GHADHO C[C@H](Cc1ccncc1)[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001256744809 1043645321 /nfs/dbraw/zinc/64/53/21/1043645321.db2.gz ZFDYJWFAMNRSPF-OFNKIYASSA-N 1 3 379.548 3.768 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001256855853 1043704339 /nfs/dbraw/zinc/70/43/39/1043704339.db2.gz YOTUUGUXVGMKRV-UHFFFAOYSA-N 1 3 390.453 3.891 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(C(=[NH2+])N[C@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256901185 1043730736 /nfs/dbraw/zinc/73/07/36/1043730736.db2.gz DVNCZDGGRYOVIN-KRWDZBQOSA-N 1 3 378.561 3.607 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(N)(c3ccccc3C(F)(F)F)CC2)C1 ZINC001257037595 1043812930 /nfs/dbraw/zinc/81/29/30/1043812930.db2.gz CDFPOZYDQSRVBK-HUUCEWRRSA-N 1 3 384.442 3.687 20 0 GHADHO CC(C)[NH+]1CCC(N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001257215438 1043940384 /nfs/dbraw/zinc/94/03/84/1043940384.db2.gz CLXNLFCPJIQKQN-NRFANRHFSA-N 1 3 375.582 3.549 20 0 GHADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001257559614 1044043423 /nfs/dbraw/zinc/04/34/23/1044043423.db2.gz OOJORYUIAUCHMN-SNRMKQJTSA-N 1 3 381.358 3.613 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCC([NH+]1CC3(C1)CCN(CC1CC1)C3)CC2 ZINC001257759454 1044147820 /nfs/dbraw/zinc/14/78/20/1044147820.db2.gz GDLKLZGCKVITLH-UHFFFAOYSA-N 1 3 389.584 3.584 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001258001465 1044329330 /nfs/dbraw/zinc/32/93/30/1044329330.db2.gz RPHPLVQUAFOIHE-RTBURBONSA-N 1 3 381.605 3.980 20 0 GHADHO CC(C)CN1CCC([NH+]2CCC3(CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001258013260 1044337984 /nfs/dbraw/zinc/33/79/84/1044337984.db2.gz NLDVDFBTAGVQMM-UHFFFAOYSA-N 1 3 379.589 3.972 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258145182 1044433395 /nfs/dbraw/zinc/43/33/95/1044433395.db2.gz GKPWMDAJWQKYQE-JOCHJYFZSA-N 1 3 377.576 3.900 20 0 GHADHO CC1(C)COC2(CCC([NH2+]CC3CCN(Cc4ccncc4)CC3)CC2)OC1 ZINC001258521594 1044598899 /nfs/dbraw/zinc/59/88/99/1044598899.db2.gz VQKXKYVELMBOBY-UHFFFAOYSA-N 1 3 387.568 3.595 20 0 GHADHO [NH3+]C1(Cc2cccnc2)CCN(C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258540960 1044616964 /nfs/dbraw/zinc/61/69/64/1044616964.db2.gz WIDDDSWKFAZWCN-UHFFFAOYSA-N 1 3 384.955 3.740 20 0 GHADHO Cc1cc(N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)CC2)cc[nH+]1 ZINC001258564418 1044642981 /nfs/dbraw/zinc/64/29/81/1044642981.db2.gz JDALYFQFVKIFRU-LJQANCHMSA-N 1 3 388.556 3.690 20 0 GHADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC001302853289 1047144425 /nfs/dbraw/zinc/14/44/25/1047144425.db2.gz UAXRJRUNTZMGIC-HSZRJFAPSA-N 1 3 379.548 3.875 20 0 GHADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC001302853289 1047144430 /nfs/dbraw/zinc/14/44/30/1047144430.db2.gz UAXRJRUNTZMGIC-HSZRJFAPSA-N 1 3 379.548 3.875 20 0 GHADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCN1C1CCCC1 ZINC001303541118 1047420772 /nfs/dbraw/zinc/42/07/72/1047420772.db2.gz WSGQOGQKZBYXCA-ICSRJNTNSA-N 1 3 387.543 3.513 20 0 GHADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCN1C1CCCC1 ZINC001303541118 1047420777 /nfs/dbraw/zinc/42/07/77/1047420777.db2.gz WSGQOGQKZBYXCA-ICSRJNTNSA-N 1 3 387.543 3.513 20 0 GHADHO CSc1ccc(Cl)cc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001280155857 1048108377 /nfs/dbraw/zinc/10/83/77/1048108377.db2.gz BHLSZVFQJLHHJI-UHFFFAOYSA-N 1 3 390.984 3.856 20 0 GHADHO CCOc1c(Br)cc(C)cc1CN1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001280311485 1048176563 /nfs/dbraw/zinc/17/65/63/1048176563.db2.gz HQIBZZQCPJHPAB-IYBDPMFKSA-N 1 3 381.358 3.930 20 0 GHADHO CCOc1c(Br)cc(C)cc1CN1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001280311485 1048176570 /nfs/dbraw/zinc/17/65/70/1048176570.db2.gz HQIBZZQCPJHPAB-IYBDPMFKSA-N 1 3 381.358 3.930 20 0 GHADHO C[C@H](CN1CCOCC1)[N@H+](C)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308730066 1050073847 /nfs/dbraw/zinc/07/38/47/1050073847.db2.gz ONKBMZZSSSYRDE-QPPBQGQZSA-N 1 3 387.612 3.577 20 0 GHADHO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308730066 1050073853 /nfs/dbraw/zinc/07/38/53/1050073853.db2.gz ONKBMZZSSSYRDE-QPPBQGQZSA-N 1 3 387.612 3.577 20 0 GHADHO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001308914813 1050164815 /nfs/dbraw/zinc/16/48/15/1050164815.db2.gz IGKSJQFXJLKOFY-KDURUIRLSA-N 1 3 398.595 3.786 20 0 GHADHO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001308914813 1050164822 /nfs/dbraw/zinc/16/48/22/1050164822.db2.gz IGKSJQFXJLKOFY-KDURUIRLSA-N 1 3 398.595 3.786 20 0 GHADHO CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCN(C)C1 ZINC001312268523 1052670606 /nfs/dbraw/zinc/67/06/06/1052670606.db2.gz SUNIUHXBCDIJOU-ILWGZMRPSA-N 1 3 388.600 3.878 20 0 GHADHO CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)[C@H]1CCN(C)C1 ZINC001312268522 1052670805 /nfs/dbraw/zinc/67/08/05/1052670805.db2.gz SUNIUHXBCDIJOU-HJNYFJLDSA-N 1 3 388.600 3.878 20 0 GHADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001312815596 1052879314 /nfs/dbraw/zinc/87/93/14/1052879314.db2.gz MDJWFBJVRYJASU-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC001318864625 1054922645 /nfs/dbraw/zinc/92/26/45/1054922645.db2.gz CIWOVVWQAKDTME-GOTSBHOMSA-N 1 3 383.580 3.540 20 0 GHADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC001318864625 1054922648 /nfs/dbraw/zinc/92/26/48/1054922648.db2.gz CIWOVVWQAKDTME-GOTSBHOMSA-N 1 3 383.580 3.540 20 0 GHADHO Brc1cc(Br)cc(CNC[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001474734686 1055034535 /nfs/dbraw/zinc/03/45/35/1055034535.db2.gz CVINRMAHBYZXSN-CYBMUJFWSA-N 1 3 388.147 3.643 20 0 GHADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC001323193959 1056937243 /nfs/dbraw/zinc/93/72/43/1056937243.db2.gz UMOIUQYJTZVWQY-WMZOPIPTSA-N 1 3 390.572 3.797 20 0 GHADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001325579469 1057342774 /nfs/dbraw/zinc/34/27/74/1057342774.db2.gz JRQRIGPNDIEJBN-WOIUINJBSA-N 1 3 392.632 3.553 20 0 GHADHO CC[N@@H+](Cc1ccc(/C=C\C(=O)OC)o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000848889046 1057398788 /nfs/dbraw/zinc/39/87/88/1057398788.db2.gz GLYWRKQRTFSGMO-ZCPJJFRWSA-N 1 3 382.504 3.810 20 0 GHADHO CC[N@H+](Cc1ccc(/C=C\C(=O)OC)o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000848889046 1057398793 /nfs/dbraw/zinc/39/87/93/1057398793.db2.gz GLYWRKQRTFSGMO-ZCPJJFRWSA-N 1 3 382.504 3.810 20 0 GHADHO [NH2+]=C(NCc1ccccc1OC(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849055953 1057565431 /nfs/dbraw/zinc/56/54/31/1057565431.db2.gz NGQTUGNPDWOXLP-UHFFFAOYSA-N 1 3 388.462 3.567 20 0 GHADHO CCOCc1ccccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849060026 1057572178 /nfs/dbraw/zinc/57/21/78/1057572178.db2.gz FDHUCSSYDOHYEL-UHFFFAOYSA-N 1 3 380.536 3.502 20 0 GHADHO C[NH+](C)CCc1cccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC001443155084 1059076611 /nfs/dbraw/zinc/07/66/11/1059076611.db2.gz GBXXANVDGKOKJW-HSZRJFAPSA-N 1 3 379.548 3.748 20 0 GHADHO CC(C)CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCN(C)CC1 ZINC001443462363 1059134572 /nfs/dbraw/zinc/13/45/72/1059134572.db2.gz MIOPSKYJQSHQGG-QHCPKHFHSA-N 1 3 397.607 3.868 20 0 GHADHO CC(C)CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCN(C)CC1 ZINC001443462363 1059134580 /nfs/dbraw/zinc/13/45/80/1059134580.db2.gz MIOPSKYJQSHQGG-QHCPKHFHSA-N 1 3 397.607 3.868 20 0 GHADHO CN1CC[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1(C)C ZINC001200314889 1065902110 /nfs/dbraw/zinc/90/21/10/1065902110.db2.gz ROMVTIIBKGQJLN-WOJBJXKFSA-N 1 3 394.003 3.954 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@H](C)C1 ZINC001200459979 1066291512 /nfs/dbraw/zinc/29/15/12/1066291512.db2.gz RDZFTVSYIGJSCR-IEBWSBKVSA-N 1 3 394.629 3.668 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3CCN3C(C)(C)C)c2)CC1 ZINC001467569775 1067364994 /nfs/dbraw/zinc/36/49/94/1067364994.db2.gz DRXLSALMLWUTRR-OAQYLSRUSA-N 1 3 386.584 3.591 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001467946907 1067540857 /nfs/dbraw/zinc/54/08/57/1067540857.db2.gz KFVMDNOFXFSMGA-HSZRJFAPSA-N 1 3 385.596 3.666 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001467946907 1067540865 /nfs/dbraw/zinc/54/08/65/1067540865.db2.gz KFVMDNOFXFSMGA-HSZRJFAPSA-N 1 3 385.596 3.666 20 0 GHADHO C[NH+](C)[C@@H](CC(=O)N1CCN(c2ccnc3ccccc32)CC1)c1ccccc1 ZINC001467962605 1067546637 /nfs/dbraw/zinc/54/66/37/1067546637.db2.gz FXZKLXINWZBYNN-QHCPKHFHSA-N 1 3 388.515 3.576 20 0 GHADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC001468177189 1067621646 /nfs/dbraw/zinc/62/16/46/1067621646.db2.gz VRVDMWORWVXHGS-AKIFATBCSA-N 1 3 398.595 3.728 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)N(C)C)cc1 ZINC001477786862 1078566633 /nfs/dbraw/zinc/56/66/33/1078566633.db2.gz GTCQVRJAJNVVCI-VSKRKVRLSA-N 1 3 388.600 3.660 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCN(Cc5ccncc5)CC4)[C@@H]3C2)cc1 ZINC000872025876 1067701009 /nfs/dbraw/zinc/70/10/09/1067701009.db2.gz VHHVZDNEMZROPV-CAOCKLPOSA-N 1 3 390.575 3.546 20 0 GHADHO CC[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)Oc1cccc(F)c1 ZINC000849107542 1067732152 /nfs/dbraw/zinc/73/21/52/1067732152.db2.gz YVMLHTONGKHEND-NRFANRHFSA-N 1 3 398.526 3.762 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001469757372 1068363845 /nfs/dbraw/zinc/36/38/45/1068363845.db2.gz BTBMOAFGAKETTO-YLJYHZDGSA-N 1 3 392.613 3.575 20 0 GHADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC001478081122 1078706385 /nfs/dbraw/zinc/70/63/85/1078706385.db2.gz QVAUMJXKMJGWJU-UHFFFAOYSA-N 1 3 392.632 3.650 20 0 GHADHO C[C@H]1[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001478766705 1078980059 /nfs/dbraw/zinc/98/00/59/1078980059.db2.gz RTNADOGNROBZOC-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001478766705 1078980060 /nfs/dbraw/zinc/98/00/60/1078980060.db2.gz RTNADOGNROBZOC-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001471217009 1072970676 /nfs/dbraw/zinc/97/06/76/1072970676.db2.gz ZTQWGJZFBNEVEU-JTHBVZDNSA-N 1 3 383.580 3.812 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001471217009 1072970677 /nfs/dbraw/zinc/97/06/77/1072970677.db2.gz ZTQWGJZFBNEVEU-JTHBVZDNSA-N 1 3 383.580 3.812 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC001471376240 1073044682 /nfs/dbraw/zinc/04/46/82/1073044682.db2.gz HVOZLSZNMLZJKJ-SNCIUUNGSA-N 1 3 390.547 3.525 20 0 GHADHO Cc1ccc(C[C@@]2(C)CCC[N@H+]2CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC001473686804 1074086786 /nfs/dbraw/zinc/08/67/86/1074086786.db2.gz KXWNGFVGSMHQPB-ILBGXUMGSA-N 1 3 393.575 3.811 20 0 GHADHO Cc1ccc(C[C@@]2(C)CCC[N@@H+]2CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC001473686804 1074086796 /nfs/dbraw/zinc/08/67/96/1074086796.db2.gz KXWNGFVGSMHQPB-ILBGXUMGSA-N 1 3 393.575 3.811 20 0 GHADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716954 1074104254 /nfs/dbraw/zinc/10/42/54/1074104254.db2.gz NSZFXVKYEPIXDQ-LEWJYISDSA-N 1 3 377.617 3.858 20 0 GHADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716954 1074104259 /nfs/dbraw/zinc/10/42/59/1074104259.db2.gz NSZFXVKYEPIXDQ-LEWJYISDSA-N 1 3 377.617 3.858 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001473978993 1074224446 /nfs/dbraw/zinc/22/44/46/1074224446.db2.gz IOVMLYHMZFBMEC-UHFFFAOYSA-N 1 3 389.540 3.587 20 0 GHADHO CC1(C)[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C[C@H]1OCc1ccccc1 ZINC001474465235 1074419230 /nfs/dbraw/zinc/41/92/30/1074419230.db2.gz LSVADHYSINQLEO-VCUAKTQDSA-N 1 3 386.580 3.993 20 0 GHADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000736194571 599313122 /nfs/dbraw/zinc/31/31/22/599313122.db2.gz AZKDEXZBHWQUDD-GOSISDBHSA-N 1 3 390.535 3.772 20 0 GHADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000736194571 599313125 /nfs/dbraw/zinc/31/31/25/599313125.db2.gz AZKDEXZBHWQUDD-GOSISDBHSA-N 1 3 390.535 3.772 20 0 GHADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000736194571 599313127 /nfs/dbraw/zinc/31/31/27/599313127.db2.gz AZKDEXZBHWQUDD-GOSISDBHSA-N 1 3 390.535 3.772 20 0 GHADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000736194571 599313129 /nfs/dbraw/zinc/31/31/29/599313129.db2.gz AZKDEXZBHWQUDD-GOSISDBHSA-N 1 3 390.535 3.772 20 0 GHADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000820704538 606914950 /nfs/dbraw/zinc/91/49/50/606914950.db2.gz OPGZHQCYCACYHK-QZTJIDSGSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000820704538 606914951 /nfs/dbraw/zinc/91/49/51/606914951.db2.gz OPGZHQCYCACYHK-QZTJIDSGSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000820704538 606914952 /nfs/dbraw/zinc/91/49/52/606914952.db2.gz OPGZHQCYCACYHK-QZTJIDSGSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000820704538 606914953 /nfs/dbraw/zinc/91/49/53/606914953.db2.gz OPGZHQCYCACYHK-QZTJIDSGSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414106984 837574757 /nfs/dbraw/zinc/57/47/57/837574757.db2.gz RLGMXCJJIVCLAM-AQNXPRMDSA-N 1 3 396.579 3.689 20 0 GHADHO Clc1cccc([C@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655688813 837610235 /nfs/dbraw/zinc/61/02/35/837610235.db2.gz JPLJKNYNDUBITE-YADHBBJMSA-N 1 3 391.987 3.710 20 0 GHADHO Clc1cccc([C@@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655688810 837610367 /nfs/dbraw/zinc/61/03/67/837610367.db2.gz JPLJKNYNDUBITE-FCHUYYIVSA-N 1 3 391.987 3.710 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177000377 837701488 /nfs/dbraw/zinc/70/14/88/837701488.db2.gz JKIIVIGPRSTNOU-AVRDEDQJSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177000377 837701496 /nfs/dbraw/zinc/70/14/96/837701496.db2.gz JKIIVIGPRSTNOU-AVRDEDQJSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000557262747 834371158 /nfs/dbraw/zinc/37/11/58/834371158.db2.gz WENJRHQKOAUCCI-UTKZUKDTSA-N 1 3 385.939 3.713 20 0 GHADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000557262747 834371171 /nfs/dbraw/zinc/37/11/71/834371171.db2.gz WENJRHQKOAUCCI-UTKZUKDTSA-N 1 3 385.939 3.713 20 0 GHADHO c1ccc(CC[NH+]2CCC(NCCc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000090659833 834618520 /nfs/dbraw/zinc/61/85/20/834618520.db2.gz PMANISCSNDWXAY-UHFFFAOYSA-N 1 3 376.504 3.576 20 0 GHADHO CCCCOc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1OC ZINC000650722256 834688792 /nfs/dbraw/zinc/68/87/92/834688792.db2.gz OBCJWMUNZSBQPZ-QKNQBKEWSA-N 1 3 376.541 3.735 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)C[C@@H](C)O1 ZINC000093844267 834707745 /nfs/dbraw/zinc/70/77/45/834707745.db2.gz WMSJARJNXWPAOR-IAGOWNOFSA-N 1 3 388.581 3.850 20 0 GHADHO C[C@@H]1C[NH+](CCC2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C[C@@H](C)O1 ZINC000093844267 834707749 /nfs/dbraw/zinc/70/77/49/834707749.db2.gz WMSJARJNXWPAOR-IAGOWNOFSA-N 1 3 388.581 3.850 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccsc1 ZINC000468338231 834757457 /nfs/dbraw/zinc/75/74/57/834757457.db2.gz LZHMQIVQRAPEGK-IBGZPJMESA-N 1 3 380.602 3.647 20 0 GHADHO Cc1c(CN2CCSCC2)cccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655750181 837822291 /nfs/dbraw/zinc/82/22/91/837822291.db2.gz NFOHEXFPFCLWCO-NRFANRHFSA-N 1 3 389.609 3.599 20 0 GHADHO COc1cc(Br)c(CNCC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000657811766 835330347 /nfs/dbraw/zinc/33/03/47/835330347.db2.gz FFWFIXATSQHDDU-UHFFFAOYSA-N 1 3 397.357 3.678 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135319 835444904 /nfs/dbraw/zinc/44/49/04/835444904.db2.gz DHNZKCJQCWJQMQ-AVRDEDQJSA-N 1 3 390.531 3.505 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135319 835444911 /nfs/dbraw/zinc/44/49/11/835444911.db2.gz DHNZKCJQCWJQMQ-AVRDEDQJSA-N 1 3 390.531 3.505 20 0 GHADHO COCCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000584021109 835454485 /nfs/dbraw/zinc/45/44/85/835454485.db2.gz GTLHKJPHBZLYQY-XMMPIXPASA-N 1 3 380.532 3.810 20 0 GHADHO COCCOc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000584021109 835454488 /nfs/dbraw/zinc/45/44/88/835454488.db2.gz GTLHKJPHBZLYQY-XMMPIXPASA-N 1 3 380.532 3.810 20 0 GHADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167258 835482955 /nfs/dbraw/zinc/48/29/55/835482955.db2.gz RFZJUFKTPOLWKH-JOCHJYFZSA-N 1 3 397.563 3.922 20 0 GHADHO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1OCC ZINC000133160092 835491191 /nfs/dbraw/zinc/49/11/91/835491191.db2.gz GVBMHSFRGZJRRU-MSOLQXFVSA-N 1 3 376.541 3.636 20 0 GHADHO OC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC(F)(F)CC1 ZINC000658321604 835573704 /nfs/dbraw/zinc/57/37/04/835573704.db2.gz RAGTWEUHJZCCBH-VAMGGRTRSA-N 1 3 378.507 3.817 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)Cc3ccccc3)CC2)CC1 ZINC000584359892 835915170 /nfs/dbraw/zinc/91/51/70/835915170.db2.gz QUVBYKXRPIHEOU-UHFFFAOYSA-N 1 3 385.596 3.568 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000628237961 835945160 /nfs/dbraw/zinc/94/51/60/835945160.db2.gz FZPJMKYDZVGGCS-UHFFFAOYSA-N 1 3 383.502 3.597 20 0 GHADHO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)c(F)c1 ZINC000413899909 836701755 /nfs/dbraw/zinc/70/17/55/836701755.db2.gz JMBAQXYGGMLYSC-UHFFFAOYSA-N 1 3 385.483 3.614 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000175296242 836746157 /nfs/dbraw/zinc/74/61/57/836746157.db2.gz REYSJUHGNWTOSB-PTUXOGIPSA-N 1 3 394.563 3.642 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000175296242 836746163 /nfs/dbraw/zinc/74/61/63/836746163.db2.gz REYSJUHGNWTOSB-PTUXOGIPSA-N 1 3 394.563 3.642 20 0 GHADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000376389493 836916188 /nfs/dbraw/zinc/91/61/88/836916188.db2.gz WVRHHZWNXMHVFL-MSOLQXFVSA-N 1 3 375.582 3.608 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423037459 837079420 /nfs/dbraw/zinc/07/94/20/837079420.db2.gz VZJYXGHXFPLGBC-GFCCVEGCSA-N 1 3 387.325 3.986 20 0 GHADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535677042 844283158 /nfs/dbraw/zinc/28/31/58/844283158.db2.gz RZUSCAZNLZQXCR-NRFANRHFSA-N 1 3 383.580 3.766 20 0 GHADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535677042 844283166 /nfs/dbraw/zinc/28/31/66/844283166.db2.gz RZUSCAZNLZQXCR-NRFANRHFSA-N 1 3 383.580 3.766 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@H]1NCc2ccccc21 ZINC000659285402 838203676 /nfs/dbraw/zinc/20/36/76/838203676.db2.gz OBNSLRLTGQFZLV-WZONZLPQSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@H]1NCc2ccccc21 ZINC000659285402 838203687 /nfs/dbraw/zinc/20/36/87/838203687.db2.gz OBNSLRLTGQFZLV-WZONZLPQSA-N 1 3 377.532 3.912 20 0 GHADHO COc1ccc([C@@H](CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)N2CCCCC2)cc1 ZINC000659288787 838220718 /nfs/dbraw/zinc/22/07/18/838220718.db2.gz RMOYIZWGWGOJRL-DHIUTWEWSA-N 1 3 393.531 3.573 20 0 GHADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC000415928401 838285459 /nfs/dbraw/zinc/28/54/59/838285459.db2.gz HKMQAMJBKGQMIG-OAQYLSRUSA-N 1 3 384.524 3.618 20 0 GHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415973154 838331073 /nfs/dbraw/zinc/33/10/73/838331073.db2.gz JAFGOOVAZNWFOU-UHFFFAOYSA-N 1 3 394.441 3.760 20 0 GHADHO CCN(CC)[C@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)c1cccc(OC)c1 ZINC000415984003 838362124 /nfs/dbraw/zinc/36/21/24/838362124.db2.gz HHGOTEQOSDVYBB-OAQYLSRUSA-N 1 3 384.524 3.619 20 0 GHADHO c1csc(N2CCN(CCCC[NH+]3CCN(c4cccs4)CC3)CC2)c1 ZINC000535723909 844348883 /nfs/dbraw/zinc/34/88/83/844348883.db2.gz BZUKOBNHMPQMEC-UHFFFAOYSA-N 1 3 390.622 3.534 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000377132583 839027424 /nfs/dbraw/zinc/02/74/24/839027424.db2.gz XUPWNNMCZQRVRF-VHJOFQCFSA-N 1 3 384.564 3.605 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000415101976 839207324 /nfs/dbraw/zinc/20/73/24/839207324.db2.gz BYKWIWJPYRUSAQ-KNQAVFIVSA-N 1 3 376.541 3.592 20 0 GHADHO CCCOc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(OCCC)c1 ZINC000415117975 839230135 /nfs/dbraw/zinc/23/01/35/839230135.db2.gz CSTLQKPJHSAJSX-IRLDBZIGSA-N 1 3 390.568 3.983 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000394670536 839405667 /nfs/dbraw/zinc/40/56/67/839405667.db2.gz SGIBLIAORHBXNA-XWJBARJFSA-N 1 3 377.573 3.529 20 0 GHADHO [NH3+]CCC[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000416838398 840207302 /nfs/dbraw/zinc/20/73/02/840207302.db2.gz JCQZKYQWAZVQEV-OALUTQOASA-N 1 3 386.565 3.664 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418461723 840262342 /nfs/dbraw/zinc/26/23/42/840262342.db2.gz MGYXEKOUHRBOBP-RBUKOAKNSA-N 1 3 380.536 3.512 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(OC)c1 ZINC000416928354 840286937 /nfs/dbraw/zinc/28/69/37/840286937.db2.gz UTRLJPSZKOIZHE-HTAPYJJXSA-N 1 3 398.551 3.597 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ccsc1 ZINC000417005970 840361606 /nfs/dbraw/zinc/36/16/06/840361606.db2.gz JFVWLYGQIOSZJH-RTBURBONSA-N 1 3 392.613 3.551 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000195195791 840424999 /nfs/dbraw/zinc/42/49/99/840424999.db2.gz VMSBQAPJVSHEMS-JOCHJYFZSA-N 1 3 379.589 3.878 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000584742374 840713515 /nfs/dbraw/zinc/71/35/15/840713515.db2.gz VGGZHLAYSPZUIP-RXVVDRJESA-N 1 3 383.536 3.737 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@@H](C)C3)CC2)CC1 ZINC000581141520 840778193 /nfs/dbraw/zinc/77/81/93/840778193.db2.gz YHUMCYVPHKPOAR-RDPSFJRHSA-N 1 3 397.607 3.835 20 0 GHADHO C[C@H]1C[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000512571370 844590545 /nfs/dbraw/zinc/59/05/45/844590545.db2.gz BAIRWHGNGALUQM-SIKLNZKXSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@H]1C[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000512571370 844590551 /nfs/dbraw/zinc/59/05/51/844590551.db2.gz BAIRWHGNGALUQM-SIKLNZKXSA-N 1 3 379.548 3.779 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccccc2CC(F)(F)F)C1 ZINC000631112206 841269728 /nfs/dbraw/zinc/26/97/28/841269728.db2.gz YPGZRPSWIYAAOX-FQEVSTJZSA-N 1 3 378.438 3.648 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccccc2CC(F)(F)F)C1 ZINC000631112206 841269735 /nfs/dbraw/zinc/26/97/35/841269735.db2.gz YPGZRPSWIYAAOX-FQEVSTJZSA-N 1 3 378.438 3.648 20 0 GHADHO OC1(CNCc2csc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000623550952 861193415 /nfs/dbraw/zinc/19/34/15/861193415.db2.gz FLSLVMQIWPIVJB-UHFFFAOYSA-N 1 3 384.467 3.884 20 0 GHADHO CC(C)n1ncc2cc(CN3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cnc21 ZINC000177510620 861193686 /nfs/dbraw/zinc/19/36/86/861193686.db2.gz CSXPNNXRJLPQAR-KDURUIRLSA-N 1 3 399.583 3.724 20 0 GHADHO CC(C)n1ncc2cc(CN3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cnc21 ZINC000177510620 861193687 /nfs/dbraw/zinc/19/36/87/861193687.db2.gz CSXPNNXRJLPQAR-KDURUIRLSA-N 1 3 399.583 3.724 20 0 GHADHO CC(C)n1ncc2cc(C[NH+]3CCC(CCN4C[C@@H](C)O[C@@H](C)C4)CC3)cnc21 ZINC000177510620 861193688 /nfs/dbraw/zinc/19/36/88/861193688.db2.gz CSXPNNXRJLPQAR-KDURUIRLSA-N 1 3 399.583 3.724 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000418188794 841625508 /nfs/dbraw/zinc/62/55/08/841625508.db2.gz USJKVVSSVMQTBZ-IBGZPJMESA-N 1 3 392.975 3.508 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000418194888 841636096 /nfs/dbraw/zinc/63/60/96/841636096.db2.gz GBTSITTYSVEYDL-JTSKRJEESA-N 1 3 398.551 3.596 20 0 GHADHO COc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000684413350 842138638 /nfs/dbraw/zinc/13/86/38/842138638.db2.gz WVLFKKADMLHTTR-SZPZYZBQSA-N 1 3 388.515 3.649 20 0 GHADHO COc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000684413350 842138643 /nfs/dbraw/zinc/13/86/43/842138643.db2.gz WVLFKKADMLHTTR-SZPZYZBQSA-N 1 3 388.515 3.649 20 0 GHADHO CCN1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000600441780 842167332 /nfs/dbraw/zinc/16/73/32/842167332.db2.gz NKHRVXXBILEQFL-WOJBJXKFSA-N 1 3 387.568 3.544 20 0 GHADHO CCN1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000600441780 842167335 /nfs/dbraw/zinc/16/73/35/842167335.db2.gz NKHRVXXBILEQFL-WOJBJXKFSA-N 1 3 387.568 3.544 20 0 GHADHO COc1cccc(C(=O)N2CCC([NH2+]C3CCN(CC4CCCC4)CC3)CC2)c1 ZINC001167860095 842853728 /nfs/dbraw/zinc/85/37/28/842853728.db2.gz JFTMYJMQNJDHRG-UHFFFAOYSA-N 1 3 399.579 3.544 20 0 GHADHO CC(C)C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[NH2+][C@H](C)c1ccccc1 ZINC000662455559 843285289 /nfs/dbraw/zinc/28/52/89/843285289.db2.gz ZLTZFMRKAMPZBK-APWZRJJASA-N 1 3 385.577 3.889 20 0 GHADHO C[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCN1Cc1ccccc1 ZINC000662482236 843313065 /nfs/dbraw/zinc/31/30/65/843313065.db2.gz JTYLWWQJRJQIBG-XXBNENTESA-N 1 3 391.559 3.802 20 0 GHADHO O[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)Cc1ccc(F)cc1 ZINC000663368640 843330329 /nfs/dbraw/zinc/33/03/29/843330329.db2.gz LWFQWBHRKNQSJP-FYYLOGMGSA-N 1 3 382.523 3.621 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466842 843664705 /nfs/dbraw/zinc/66/47/05/843664705.db2.gz ALEATDDTZJDNDK-RDJZCZTQSA-N 1 3 393.959 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466842 843664707 /nfs/dbraw/zinc/66/47/07/843664707.db2.gz ALEATDDTZJDNDK-RDJZCZTQSA-N 1 3 393.959 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466842 843664709 /nfs/dbraw/zinc/66/47/09/843664709.db2.gz ALEATDDTZJDNDK-RDJZCZTQSA-N 1 3 393.959 3.777 20 0 GHADHO C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182402526 843736362 /nfs/dbraw/zinc/73/63/62/843736362.db2.gz IHBAADILYYUOOS-RRPUWOKSSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182402526 843736371 /nfs/dbraw/zinc/73/63/71/843736371.db2.gz IHBAADILYYUOOS-RRPUWOKSSA-N 1 3 398.595 3.776 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000433197833 843817560 /nfs/dbraw/zinc/81/75/60/843817560.db2.gz UMWCCHCAIDALBZ-QFIPXVFZSA-N 1 3 392.591 3.835 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C[C@H](C)O1 ZINC000067121183 844784833 /nfs/dbraw/zinc/78/48/33/844784833.db2.gz YWOYCONJSFBKGO-KBPBESRZSA-N 1 3 376.875 3.920 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000512650062 844886133 /nfs/dbraw/zinc/88/61/33/844886133.db2.gz WUTFAZFWXFAVCJ-GPJHCHHRSA-N 1 3 384.564 3.605 20 0 GHADHO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576704283 845204700 /nfs/dbraw/zinc/20/47/00/845204700.db2.gz IRNKMYBEKJGZEI-QRVBRYPASA-N 1 3 379.504 3.737 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)N(C)C)cc1 ZINC000513346252 845275717 /nfs/dbraw/zinc/27/57/17/845275717.db2.gz SDNZGBXUZQGKOV-JOCHJYFZSA-N 1 3 388.600 3.660 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)N(C)C)cc1 ZINC000513346253 845276142 /nfs/dbraw/zinc/27/61/42/845276142.db2.gz SDNZGBXUZQGKOV-QFIPXVFZSA-N 1 3 388.600 3.660 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC000411452161 845477124 /nfs/dbraw/zinc/47/71/24/845477124.db2.gz IHLNDGWVLXZFJY-IBGZPJMESA-N 1 3 399.501 3.983 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000433943510 845641909 /nfs/dbraw/zinc/64/19/09/845641909.db2.gz UOBUOEJPGJSEMC-NWSQWKLXSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000433943510 845641918 /nfs/dbraw/zinc/64/19/18/845641918.db2.gz UOBUOEJPGJSEMC-NWSQWKLXSA-N 1 3 398.595 3.603 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccsc1 ZINC000119824560 845978070 /nfs/dbraw/zinc/97/80/70/845978070.db2.gz HLVMIANFOQZBSW-HXUWFJFHSA-N 1 3 388.581 3.692 20 0 GHADHO CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000582122939 846419788 /nfs/dbraw/zinc/41/97/88/846419788.db2.gz TYIKWPIIYKNSET-ZWKOTPCHSA-N 1 3 381.520 3.541 20 0 GHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000582149313 846521282 /nfs/dbraw/zinc/52/12/82/846521282.db2.gz GYRPREUAZTWCTK-UHFFFAOYSA-N 1 3 377.882 3.817 20 0 GHADHO COc1cc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)ccc1OC(C)C ZINC000501027141 846562538 /nfs/dbraw/zinc/56/25/38/846562538.db2.gz DIJPPHHLIPVLKJ-IBGZPJMESA-N 1 3 377.573 3.549 20 0 GHADHO Cc1ccc(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501040880 846564333 /nfs/dbraw/zinc/56/43/33/846564333.db2.gz TVXIACIQSNCMKI-LJQANCHMSA-N 1 3 380.536 3.874 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(-c3cccs3)cc2)cc1 ZINC000657367184 846618108 /nfs/dbraw/zinc/61/81/08/846618108.db2.gz MJLVSDUQNAZDBD-UHFFFAOYSA-N 1 3 393.556 3.996 20 0 GHADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000502924071 846620297 /nfs/dbraw/zinc/62/02/97/846620297.db2.gz GNOAGNQKXLAGOY-IBGZPJMESA-N 1 3 394.563 3.651 20 0 GHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000501078572 846620439 /nfs/dbraw/zinc/62/04/39/846620439.db2.gz KKITZXGDOJFMOV-NRFANRHFSA-N 1 3 398.938 3.689 20 0 GHADHO Cc1ncsc1-c1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000657400800 846953015 /nfs/dbraw/zinc/95/30/15/846953015.db2.gz OGELLUHXJNJIPF-LEWJYISDSA-N 1 3 385.577 3.976 20 0 GHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501729038 847137040 /nfs/dbraw/zinc/13/70/40/847137040.db2.gz GPMDGBHLOSATRD-IBGZPJMESA-N 1 3 399.501 3.860 20 0 GHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501729038 847137044 /nfs/dbraw/zinc/13/70/44/847137044.db2.gz GPMDGBHLOSATRD-IBGZPJMESA-N 1 3 399.501 3.860 20 0 GHADHO [NH3+]C[C@@H](NCCC(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000420370317 847144919 /nfs/dbraw/zinc/14/49/19/847144919.db2.gz OXKODJJDFSOCTP-JOCHJYFZSA-N 1 3 379.548 3.780 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000513774215 847148240 /nfs/dbraw/zinc/14/82/40/847148240.db2.gz WOMBOVAXPBMVRP-AUSIDOKSSA-N 1 3 379.548 3.921 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000501826597 847215165 /nfs/dbraw/zinc/21/51/65/847215165.db2.gz KAWHMNJKSILNRO-XHYAQGIWSA-N 1 3 386.584 3.630 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000501826597 847215173 /nfs/dbraw/zinc/21/51/73/847215173.db2.gz KAWHMNJKSILNRO-XHYAQGIWSA-N 1 3 386.584 3.630 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501831117 847226695 /nfs/dbraw/zinc/22/66/95/847226695.db2.gz XKUIGQHGZVATGB-IFMALSPDSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501831117 847226705 /nfs/dbraw/zinc/22/67/05/847226705.db2.gz XKUIGQHGZVATGB-IFMALSPDSA-N 1 3 386.584 3.777 20 0 GHADHO CCN1CCN(c2ccccc2N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000179774291 861770114 /nfs/dbraw/zinc/77/01/14/861770114.db2.gz VDSPCVHMRKKNJM-FQEVSTJZSA-N 1 3 396.579 3.942 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC2CCC([NH+](C)C)CC2)c2cccs2)CC1 ZINC000420776673 847423445 /nfs/dbraw/zinc/42/34/45/847423445.db2.gz WLUZJPNQTSQIHH-CTWPCTMYSA-N 1 3 392.613 3.693 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)CC1 ZINC000420982910 847589124 /nfs/dbraw/zinc/58/91/24/847589124.db2.gz PUBTWRGGVQPXCU-UHFFFAOYSA-N 1 3 399.501 3.620 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)CC1 ZINC000420982910 847589129 /nfs/dbraw/zinc/58/91/29/847589129.db2.gz PUBTWRGGVQPXCU-UHFFFAOYSA-N 1 3 399.501 3.620 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422722872 847797062 /nfs/dbraw/zinc/79/70/62/847797062.db2.gz PXRLCZZNQSPRQT-CYBMUJFWSA-N 1 3 389.425 3.904 20 0 GHADHO C[C@@H](C[C@@H]1COCC[NH2+]1)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422788819 847821028 /nfs/dbraw/zinc/82/10/28/847821028.db2.gz NMNNIDPWGJNACE-GOEBONIOSA-N 1 3 395.425 3.749 20 0 GHADHO C[C@@H](CCCC[NH3+])N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422798788 847827711 /nfs/dbraw/zinc/82/77/11/847827711.db2.gz SVUWCJSWKCOXAW-YWZLYKJASA-N 1 3 394.968 3.940 20 0 GHADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422811813 847834931 /nfs/dbraw/zinc/83/49/31/847834931.db2.gz PNRODOPTPAJDBA-QBZTVIHSSA-N 1 3 385.596 3.696 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)N(C)C)cc1 ZINC000611670463 847861232 /nfs/dbraw/zinc/86/12/32/847861232.db2.gz NSMGZARXIKQIPH-QFIPXVFZSA-N 1 3 386.584 3.512 20 0 GHADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422902506 847878972 /nfs/dbraw/zinc/87/89/72/847878972.db2.gz DOCSAIHKVRZAHO-CADBVGFASA-N 1 3 377.960 3.828 20 0 GHADHO C[C@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1CCCCN1 ZINC000422895068 847889291 /nfs/dbraw/zinc/88/92/91/847889291.db2.gz VETGBDXMJHSTSB-HNAYVOBHSA-N 1 3 380.374 3.534 20 0 GHADHO C[C@H](NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422895068 847889298 /nfs/dbraw/zinc/88/92/98/847889298.db2.gz VETGBDXMJHSTSB-HNAYVOBHSA-N 1 3 380.374 3.534 20 0 GHADHO c1coc([C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCCC2)c1 ZINC000422966136 847905878 /nfs/dbraw/zinc/90/58/78/847905878.db2.gz QSBLWFKULRYMBY-ZRCGQRJVSA-N 1 3 381.520 3.652 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423015478 847937582 /nfs/dbraw/zinc/93/75/82/847937582.db2.gz RDKVNMHRVMWDAZ-MRFFXTKBSA-N 1 3 376.907 3.737 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000422996154 847940911 /nfs/dbraw/zinc/94/09/11/847940911.db2.gz KZRIKYMXSKTVSP-XAEMIUIASA-N 1 3 383.536 3.825 20 0 GHADHO COc1cc(Cl)c(CNCC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000657535363 848108052 /nfs/dbraw/zinc/10/80/52/848108052.db2.gz LUNIEZPIPKALMQ-UHFFFAOYSA-N 1 3 387.351 3.983 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cnc(-c4ccccc4)s3)cc2)C1 ZINC000657593914 848284694 /nfs/dbraw/zinc/28/46/94/848284694.db2.gz CMVQRONDMWFTFC-FQEVSTJZSA-N 1 3 379.529 3.667 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cnc(-c4ccccc4)s3)cc2)C1 ZINC000657593914 848284701 /nfs/dbraw/zinc/28/47/01/848284701.db2.gz CMVQRONDMWFTFC-FQEVSTJZSA-N 1 3 379.529 3.667 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1Br ZINC000657594947 848288708 /nfs/dbraw/zinc/28/87/08/848288708.db2.gz LNMDMIIRZAPDSJ-IBGZPJMESA-N 1 3 389.337 3.614 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1Br ZINC000657594947 848288716 /nfs/dbraw/zinc/28/87/16/848288716.db2.gz LNMDMIIRZAPDSJ-IBGZPJMESA-N 1 3 389.337 3.614 20 0 GHADHO Cc1ncsc1-c1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657596033 848291028 /nfs/dbraw/zinc/29/10/28/848291028.db2.gz LBTSUIRGBNSJSF-QFIPXVFZSA-N 1 3 393.556 3.975 20 0 GHADHO Cc1ncsc1-c1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657596033 848291034 /nfs/dbraw/zinc/29/10/34/848291034.db2.gz LBTSUIRGBNSJSF-QFIPXVFZSA-N 1 3 393.556 3.975 20 0 GHADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN1Cc1ccccc1 ZINC000657613257 848326985 /nfs/dbraw/zinc/32/69/85/848326985.db2.gz JSHNLMRFDPHSFD-RDPSFJRHSA-N 1 3 378.564 3.546 20 0 GHADHO Cc1cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079528 849027790 /nfs/dbraw/zinc/02/77/90/849027790.db2.gz YFRPLTKGUSMCLT-WMZOPIPTSA-N 1 3 380.960 3.585 20 0 GHADHO Cc1cc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079528 849027797 /nfs/dbraw/zinc/02/77/97/849027797.db2.gz YFRPLTKGUSMCLT-WMZOPIPTSA-N 1 3 380.960 3.585 20 0 GHADHO Cc1cc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079528 849027801 /nfs/dbraw/zinc/02/78/01/849027801.db2.gz YFRPLTKGUSMCLT-WMZOPIPTSA-N 1 3 380.960 3.585 20 0 GHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000162587537 849206098 /nfs/dbraw/zinc/20/60/98/849206098.db2.gz ORHUROZTQYJKIG-GOSISDBHSA-N 1 3 381.520 3.605 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)N2CCCC2)cc1 ZINC000535974364 849432740 /nfs/dbraw/zinc/43/27/40/849432740.db2.gz LABPQSPLPWSPQG-XZOQPEGZSA-N 1 3 398.595 3.505 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908503148 850162195 /nfs/dbraw/zinc/16/21/95/850162195.db2.gz YFYDHWRHRROPEZ-UHFFFAOYSA-N 1 3 383.536 3.879 20 0 GHADHO C[C@H]1C[C@@H](NCCNC(=O)CCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000424189071 850281165 /nfs/dbraw/zinc/28/11/65/850281165.db2.gz MTHPSURDLMWBIX-URXFXBBRSA-N 1 3 393.575 3.768 20 0 GHADHO C[C@H]1C[C@@H](NCCNC(=O)CCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000424189071 850281174 /nfs/dbraw/zinc/28/11/74/850281174.db2.gz MTHPSURDLMWBIX-URXFXBBRSA-N 1 3 393.575 3.768 20 0 GHADHO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000514831581 850364100 /nfs/dbraw/zinc/36/41/00/850364100.db2.gz DHHCQUHWGJDTKJ-KQXORWHBSA-N 1 3 393.522 3.649 20 0 GHADHO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000514831581 850364111 /nfs/dbraw/zinc/36/41/11/850364111.db2.gz DHHCQUHWGJDTKJ-KQXORWHBSA-N 1 3 393.522 3.649 20 0 GHADHO COc1cc(CN2CCC([C@@H](C)[NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC000435374828 850422302 /nfs/dbraw/zinc/42/23/02/850422302.db2.gz YTNPUGILWWGBAC-QGZVFWFLSA-N 1 3 384.520 3.842 20 0 GHADHO c1ccc2c(c1)ncnc2N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167968347 851259474 /nfs/dbraw/zinc/25/94/74/851259474.db2.gz QBVZFNOSUBMZML-SEJPIABJSA-N 1 3 391.563 3.594 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)c1ccco1 ZINC000488460932 851517161 /nfs/dbraw/zinc/51/71/61/851517161.db2.gz NXOPAXZFCYTVPL-DFQSSKMNSA-N 1 3 386.540 3.619 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)N2CCCC2)cc1 ZINC000488475048 851526831 /nfs/dbraw/zinc/52/68/31/851526831.db2.gz GVSDKAUZPGEXOC-REWPJTCUSA-N 1 3 398.595 3.648 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)N2CCCC2)cc1 ZINC000488475048 851526841 /nfs/dbraw/zinc/52/68/41/851526841.db2.gz GVSDKAUZPGEXOC-REWPJTCUSA-N 1 3 398.595 3.648 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167960742 851554501 /nfs/dbraw/zinc/55/45/01/851554501.db2.gz BAPALMBLUQNLJW-RAFMOHDBSA-N 1 3 389.584 3.771 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167960742 851554507 /nfs/dbraw/zinc/55/45/07/851554507.db2.gz BAPALMBLUQNLJW-RAFMOHDBSA-N 1 3 389.584 3.771 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000488532327 851589115 /nfs/dbraw/zinc/58/91/15/851589115.db2.gz NCIOGQUPCWLJFZ-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000488532327 851589126 /nfs/dbraw/zinc/58/91/26/851589126.db2.gz NCIOGQUPCWLJFZ-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CN(C(=O)OC(C)(C)C)C1 ZINC001167982066 852016525 /nfs/dbraw/zinc/01/65/25/852016525.db2.gz VBNYNYLRYBSPQH-IFNDBITQSA-N 1 3 377.573 3.627 20 0 GHADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CN(C(=O)OC(C)(C)C)C1 ZINC001167982066 852016535 /nfs/dbraw/zinc/01/65/35/852016535.db2.gz VBNYNYLRYBSPQH-IFNDBITQSA-N 1 3 377.573 3.627 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167962421 852038001 /nfs/dbraw/zinc/03/80/01/852038001.db2.gz XSMSXKXQWOKRBV-IQWRZIDRSA-N 1 3 377.573 3.817 20 0 GHADHO C[C@H]1C[C@H](NCc2cccc(N3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000550227716 852053415 /nfs/dbraw/zinc/05/34/15/852053415.db2.gz JDOQVAASKVLKSV-NZQKXSOJSA-N 1 3 379.548 3.666 20 0 GHADHO C[C@H]1C[C@H](NCc2cccc(N3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000550227716 852053423 /nfs/dbraw/zinc/05/34/23/852053423.db2.gz JDOQVAASKVLKSV-NZQKXSOJSA-N 1 3 379.548 3.666 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000516162601 852204647 /nfs/dbraw/zinc/20/46/47/852204647.db2.gz QDCYNBMBONADOA-COPCDDAFSA-N 1 3 386.584 3.632 20 0 GHADHO N[C@@H](CC(F)F)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000645334600 852400326 /nfs/dbraw/zinc/40/03/26/852400326.db2.gz IWEXVBBFULVNLB-FQEVSTJZSA-N 1 3 387.474 3.548 20 0 GHADHO COCCOc1cccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000516347928 852452712 /nfs/dbraw/zinc/45/27/12/852452712.db2.gz JTYLQFCPKYESEX-XMMPIXPASA-N 1 3 380.532 3.810 20 0 GHADHO COCCOc1cccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000516347928 852452719 /nfs/dbraw/zinc/45/27/19/852452719.db2.gz JTYLQFCPKYESEX-XMMPIXPASA-N 1 3 380.532 3.810 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414954470 852873849 /nfs/dbraw/zinc/87/38/49/852873849.db2.gz SOEFNRGFMHMBJC-NTZNESFSSA-N 1 3 377.838 3.806 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595410 853029749 /nfs/dbraw/zinc/02/97/49/853029749.db2.gz HHFPDQVGXABIJL-CEWLAPEOSA-N 1 3 398.551 3.625 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595410 853029755 /nfs/dbraw/zinc/02/97/55/853029755.db2.gz HHFPDQVGXABIJL-CEWLAPEOSA-N 1 3 398.551 3.625 20 0 GHADHO COc1ccc([C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C2CC2)cn1 ZINC000623845149 862445105 /nfs/dbraw/zinc/44/51/05/862445105.db2.gz WTOCLDJRXPMPSM-HSZRJFAPSA-N 1 3 381.520 3.806 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@H](C)C3CCCCC3)CC2)CC1 ZINC000519782509 853488062 /nfs/dbraw/zinc/48/80/62/853488062.db2.gz UOALYGCJJLSINC-OALUTQOASA-N 1 3 377.617 3.904 20 0 GHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000112545915 854246253 /nfs/dbraw/zinc/24/62/53/854246253.db2.gz BZUMWTFAELFWBF-JXFKEZNVSA-N 1 3 385.939 3.888 20 0 GHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000112545915 854246262 /nfs/dbraw/zinc/24/62/62/854246262.db2.gz BZUMWTFAELFWBF-JXFKEZNVSA-N 1 3 385.939 3.888 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc2c(cccc2Cl)c1C ZINC000505818117 862553251 /nfs/dbraw/zinc/55/32/51/862553251.db2.gz MIWQNLIEASTEIL-MRXNPFEDSA-N 1 3 391.943 3.883 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000588641290 854323453 /nfs/dbraw/zinc/32/34/53/854323453.db2.gz BKXJXXUBUZUEJO-UYAOXDASSA-N 1 3 377.548 3.664 20 0 GHADHO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000572047558 854344283 /nfs/dbraw/zinc/34/42/83/854344283.db2.gz MOYIHLOULHWWKU-QDSKXPNFSA-N 1 3 391.559 3.596 20 0 GHADHO OC1CC[NH+](CCCNCc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000604891641 862607573 /nfs/dbraw/zinc/60/75/73/862607573.db2.gz HJUARRKQOGKSDM-UHFFFAOYSA-N 1 3 377.532 3.626 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000674012315 862650378 /nfs/dbraw/zinc/65/03/78/862650378.db2.gz OFTWNHKYBYXZFX-QFIPXVFZSA-N 1 3 383.580 3.684 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000674012315 862650391 /nfs/dbraw/zinc/65/03/91/862650391.db2.gz OFTWNHKYBYXZFX-QFIPXVFZSA-N 1 3 383.580 3.684 20 0 GHADHO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)C1 ZINC000186441138 855511565 /nfs/dbraw/zinc/51/15/65/855511565.db2.gz DHUTUTIIMPLLDM-PXNSSMCTSA-N 1 3 389.540 3.563 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]12 ZINC001168001879 855530464 /nfs/dbraw/zinc/53/04/64/855530464.db2.gz JXTNJUSRUYHSNV-SJZUESHLSA-N 1 3 389.584 3.627 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]12 ZINC001168001879 855530466 /nfs/dbraw/zinc/53/04/66/855530466.db2.gz JXTNJUSRUYHSNV-SJZUESHLSA-N 1 3 389.584 3.627 20 0 GHADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000700809964 856196460 /nfs/dbraw/zinc/19/64/60/856196460.db2.gz XNYXLKOAWSUSDL-IYWMVGAKSA-N 1 3 379.589 3.876 20 0 GHADHO CCOc1c(Cl)cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000067453082 856281964 /nfs/dbraw/zinc/28/19/64/856281964.db2.gz GBODYWAEZINYOJ-IYBDPMFKSA-N 1 3 384.948 3.726 20 0 GHADHO COc1c(Cl)cc(Cl)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062252829 856681537 /nfs/dbraw/zinc/68/15/37/856681537.db2.gz HKFAPQWGXUIVGY-KBPBESRZSA-N 1 3 375.340 3.981 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000569119918 856964529 /nfs/dbraw/zinc/96/45/29/856964529.db2.gz XCYODNAAZMLFES-LEWJYISDSA-N 1 3 389.971 3.508 20 0 GHADHO C[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1cccc(-n2cnnn2)c1 ZINC000157002992 857188020 /nfs/dbraw/zinc/18/80/20/857188020.db2.gz KXUXNHXTJLQELI-IBGZPJMESA-N 1 3 390.535 3.745 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000064026385 857680480 /nfs/dbraw/zinc/68/04/80/857680480.db2.gz VAGBBICZKZXJCL-UHFFFAOYSA-N 1 3 391.559 3.985 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000064236996 857687158 /nfs/dbraw/zinc/68/71/58/857687158.db2.gz XNVPBBVBSIGGBH-UNMCSNQZSA-N 1 3 386.584 3.553 20 0 GHADHO CCCN1CCN(c2ccccc2CNc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000676316898 857822514 /nfs/dbraw/zinc/82/25/14/857822514.db2.gz HMGDESSYOLCIDP-UHFFFAOYSA-N 1 3 396.579 3.771 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1(C)C ZINC000442870992 858187874 /nfs/dbraw/zinc/18/78/74/858187874.db2.gz FBOHAHHUAVHGBR-GOSISDBHSA-N 1 3 394.401 3.787 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)CCC2 ZINC000594496026 858191098 /nfs/dbraw/zinc/19/10/98/858191098.db2.gz XPDMHWWRSQSYKJ-HSZRJFAPSA-N 1 3 396.531 3.971 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2cccc(Br)c21 ZINC000442879440 858201619 /nfs/dbraw/zinc/20/16/19/858201619.db2.gz VZEPYVLGGQIYRD-RHSMWYFYSA-N 1 3 380.374 3.613 20 0 GHADHO C[C@@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000443098766 858377466 /nfs/dbraw/zinc/37/74/66/858377466.db2.gz YPOCIQAKRMEXOP-GCJKJVERSA-N 1 3 387.568 3.601 20 0 GHADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000191070263 858455551 /nfs/dbraw/zinc/45/55/51/858455551.db2.gz YWYGOKQVJWNIMS-FQEVSTJZSA-N 1 3 378.438 3.870 20 0 GHADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000191070263 858455553 /nfs/dbraw/zinc/45/55/53/858455553.db2.gz YWYGOKQVJWNIMS-FQEVSTJZSA-N 1 3 378.438 3.870 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000474064097 858749008 /nfs/dbraw/zinc/74/90/08/858749008.db2.gz XZPGCLIRXRKNNX-TZRRMPRUSA-N 1 3 385.596 3.509 20 0 GHADHO C[C@H]1CC(NCCC(=O)NCc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168019813 858784458 /nfs/dbraw/zinc/78/44/58/858784458.db2.gz KCCFTCJQUGPTTL-PMACEKPBSA-N 1 3 379.548 3.724 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543238129 858989697 /nfs/dbraw/zinc/98/96/97/858989697.db2.gz FCRMMJQXODCNTF-WIYYLYMNSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543238129 858989703 /nfs/dbraw/zinc/98/97/03/858989703.db2.gz FCRMMJQXODCNTF-WIYYLYMNSA-N 1 3 375.520 3.576 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000443597154 859025538 /nfs/dbraw/zinc/02/55/38/859025538.db2.gz YMJPWUIPHQBFIB-OALUTQOASA-N 1 3 389.559 3.979 20 0 GHADHO C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000187101853 859062924 /nfs/dbraw/zinc/06/29/24/859062924.db2.gz JCRUMKZHCZMBFU-UTKZUKDTSA-N 1 3 376.903 3.966 20 0 GHADHO C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000187101853 859062931 /nfs/dbraw/zinc/06/29/31/859062931.db2.gz JCRUMKZHCZMBFU-UTKZUKDTSA-N 1 3 376.903 3.966 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C2CCN([C@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000483133845 859172005 /nfs/dbraw/zinc/17/20/05/859172005.db2.gz JXORRTSHPZYFLW-IMSXRSKXSA-N 1 3 387.612 3.939 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558551 881419441 /nfs/dbraw/zinc/41/94/41/881419441.db2.gz JMKLUAQQSKAQRO-SIKLNZKXSA-N 1 3 395.547 3.941 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558551 881419481 /nfs/dbraw/zinc/41/94/81/881419481.db2.gz JMKLUAQQSKAQRO-SIKLNZKXSA-N 1 3 395.547 3.941 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]C3CCC4(CCOCC4)CC3)CC2)cc1 ZINC000532211058 881444568 /nfs/dbraw/zinc/44/45/68/881444568.db2.gz IXGGDDLWSNLLDN-UHFFFAOYSA-N 1 3 399.623 3.913 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000466525425 859851096 /nfs/dbraw/zinc/85/10/96/859851096.db2.gz HZDWBDWWPBKHBC-SIKLNZKXSA-N 1 3 398.595 3.746 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc21 ZINC001168368668 859856163 /nfs/dbraw/zinc/85/61/63/859856163.db2.gz OQDLOUBHLOCWBN-UHFFFAOYSA-N 1 3 385.552 3.948 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000484717683 860285248 /nfs/dbraw/zinc/28/52/48/860285248.db2.gz YSANPOWYNJXFEK-VOQZNFBZSA-N 1 3 398.526 3.563 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000484717683 860285257 /nfs/dbraw/zinc/28/52/57/860285257.db2.gz YSANPOWYNJXFEK-VOQZNFBZSA-N 1 3 398.526 3.563 20 0 GHADHO Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(C(C)C)cc1Cl ZINC000429026884 860744419 /nfs/dbraw/zinc/74/44/19/860744419.db2.gz AINANYIREGOGCJ-LAUBAEHRSA-N 1 3 380.960 3.539 20 0 GHADHO Cc1cc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(C(C)C)cc1Cl ZINC000429026884 860744427 /nfs/dbraw/zinc/74/44/27/860744427.db2.gz AINANYIREGOGCJ-LAUBAEHRSA-N 1 3 380.960 3.539 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856606583 881585972 /nfs/dbraw/zinc/58/59/72/881585972.db2.gz LRJVAORSLPLWSY-XMMPIXPASA-N 1 3 396.579 3.901 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856606583 881585981 /nfs/dbraw/zinc/58/59/81/881585981.db2.gz LRJVAORSLPLWSY-XMMPIXPASA-N 1 3 396.579 3.901 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000444102618 863423141 /nfs/dbraw/zinc/42/31/41/863423141.db2.gz FXKUGVFJZKAFGU-RTBURBONSA-N 1 3 392.632 3.697 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000733936465 863873520 /nfs/dbraw/zinc/87/35/20/863873520.db2.gz XXUSKKCIMXYVIP-UHFFFAOYSA-N 1 3 395.503 3.711 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccsc1 ZINC000042346312 863976577 /nfs/dbraw/zinc/97/65/77/863976577.db2.gz LYFWWUCVEHKECX-QGZVFWFLSA-N 1 3 380.602 3.739 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000734217372 864090200 /nfs/dbraw/zinc/09/02/00/864090200.db2.gz HQQURGXSQVHIMF-QHCPKHFHSA-N 1 3 394.563 3.554 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000163676469 864550974 /nfs/dbraw/zinc/55/09/74/864550974.db2.gz RITCOUHWFSFSOX-IBGZPJMESA-N 1 3 385.527 3.520 20 0 GHADHO [NH3+]CCC[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000415044931 864717845 /nfs/dbraw/zinc/71/78/45/864717845.db2.gz CDVQEFVGAWYNAP-INIZCTEOSA-N 1 3 377.282 3.748 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc21 ZINC000554737845 864809757 /nfs/dbraw/zinc/80/97/57/864809757.db2.gz JRQCPXRTCOFTPL-JPYJTQIMSA-N 1 3 377.532 3.850 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)N2CCCC2)cc1 ZINC000622452116 865001790 /nfs/dbraw/zinc/00/17/90/865001790.db2.gz OITDSEUHYDCYBZ-NRFANRHFSA-N 1 3 386.584 3.648 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)N2CCCC2)cc1 ZINC000622452116 865001797 /nfs/dbraw/zinc/00/17/97/865001797.db2.gz OITDSEUHYDCYBZ-NRFANRHFSA-N 1 3 386.584 3.648 20 0 GHADHO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000132952890 881831399 /nfs/dbraw/zinc/83/13/99/881831399.db2.gz VKKUDRZEXROCPP-QGZVFWFLSA-N 1 3 382.552 3.888 20 0 GHADHO C[C@@H]([NH2+]C1(CNC(=O)Nc2cnc3c(c2)CNCC3)CCCC1)c1ccccc1 ZINC000667795992 865651025 /nfs/dbraw/zinc/65/10/25/865651025.db2.gz XPVKAHRTVQJTIJ-QGZVFWFLSA-N 1 3 393.535 3.512 20 0 GHADHO COC(=O)COc1c(C)cc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000063912248 865652829 /nfs/dbraw/zinc/65/28/29/865652829.db2.gz TVGKQJFYNDBTGU-UHFFFAOYSA-N 1 3 396.531 3.741 20 0 GHADHO CN(C)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000555230224 865749682 /nfs/dbraw/zinc/74/96/82/865749682.db2.gz XKDREZJRASXBQF-YLJYHZDGSA-N 1 3 377.960 3.714 20 0 GHADHO CN(C)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000555230224 865749686 /nfs/dbraw/zinc/74/96/86/865749686.db2.gz XKDREZJRASXBQF-YLJYHZDGSA-N 1 3 377.960 3.714 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(C(C)C)nc2C)CC1 ZINC000555314610 865892572 /nfs/dbraw/zinc/89/25/72/865892572.db2.gz FQTMUKDSMZMAMA-UHFFFAOYSA-N 1 3 388.600 3.574 20 0 GHADHO CCc1cccc(Cl)c1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000475568994 866306935 /nfs/dbraw/zinc/30/69/35/866306935.db2.gz CAFZXIROYXILLV-UHFFFAOYSA-N 1 3 394.003 3.818 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000152479512 866568063 /nfs/dbraw/zinc/56/80/63/866568063.db2.gz LGHHRPVAQKBCJY-DLBZAZTESA-N 1 3 376.566 3.538 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000553255759 867061306 /nfs/dbraw/zinc/06/13/06/867061306.db2.gz PMFDELKGJVMVCD-UHFFFAOYSA-N 1 3 399.457 3.720 20 0 GHADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436401 867752889 /nfs/dbraw/zinc/75/28/89/867752889.db2.gz IOBNZPILLLMPAC-DNVCBOLYSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436401 867752898 /nfs/dbraw/zinc/75/28/98/867752898.db2.gz IOBNZPILLLMPAC-DNVCBOLYSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@@H](Cc1ccccc1Cl)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000156561312 868399124 /nfs/dbraw/zinc/39/91/24/868399124.db2.gz VBHPIWKVCTZMLQ-SFHVURJKSA-N 1 3 391.987 3.585 20 0 GHADHO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000920577519 882204892 /nfs/dbraw/zinc/20/48/92/882204892.db2.gz VWTCJUXFOJDWAX-UKRRQHHQSA-N 1 3 399.318 3.764 20 0 GHADHO C[N@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000920577519 882204902 /nfs/dbraw/zinc/20/49/02/882204902.db2.gz VWTCJUXFOJDWAX-UKRRQHHQSA-N 1 3 399.318 3.764 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000479886390 868683582 /nfs/dbraw/zinc/68/35/82/868683582.db2.gz GXFOXAIKSLIBDB-BWKNWUBXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000479886390 868683583 /nfs/dbraw/zinc/68/35/83/868683583.db2.gz GXFOXAIKSLIBDB-BWKNWUBXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000479886390 868683586 /nfs/dbraw/zinc/68/35/86/868683586.db2.gz GXFOXAIKSLIBDB-BWKNWUBXSA-N 1 3 393.575 3.519 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000535514325 868875267 /nfs/dbraw/zinc/87/52/67/868875267.db2.gz QALJDLYZXCRKHJ-RBZQAINGSA-N 1 3 397.607 3.522 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n(C)c1C ZINC000462787970 870079882 /nfs/dbraw/zinc/07/98/82/870079882.db2.gz NFDSQSUNWHAZJN-QGZVFWFLSA-N 1 3 383.536 3.642 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n(C)c1C ZINC000462787970 870079891 /nfs/dbraw/zinc/07/98/91/870079891.db2.gz NFDSQSUNWHAZJN-QGZVFWFLSA-N 1 3 383.536 3.642 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000462808079 870133678 /nfs/dbraw/zinc/13/36/78/870133678.db2.gz GOEHYYAQQDHMRD-WMZHIEFXSA-N 1 3 377.532 3.533 20 0 GHADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248407336 870383982 /nfs/dbraw/zinc/38/39/82/870383982.db2.gz UIKQBMWXFJUJDQ-GMKZXUHWSA-N 1 3 380.580 3.860 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000248463730 870443733 /nfs/dbraw/zinc/44/37/33/870443733.db2.gz ZDCQJIJGVHHALM-GCJKJVERSA-N 1 3 396.531 3.655 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000248463730 870443737 /nfs/dbraw/zinc/44/37/37/870443737.db2.gz ZDCQJIJGVHHALM-GCJKJVERSA-N 1 3 396.531 3.655 20 0 GHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(C(=O)CC(F)(F)F)CC3)CC2)C1 ZINC000540180511 870696610 /nfs/dbraw/zinc/69/66/10/870696610.db2.gz DZHLLSBNOWZWBP-CRAIPNDOSA-N 1 3 389.506 3.563 20 0 GHADHO CC[N@H+](CCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1)CC(C)C ZINC000540199938 870711003 /nfs/dbraw/zinc/71/10/03/870711003.db2.gz XPIRNXRMHGSKAX-UHFFFAOYSA-N 1 3 384.568 3.958 20 0 GHADHO CC[N@@H+](CCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1)CC(C)C ZINC000540199938 870711009 /nfs/dbraw/zinc/71/10/09/870711009.db2.gz XPIRNXRMHGSKAX-UHFFFAOYSA-N 1 3 384.568 3.958 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000249173929 870778615 /nfs/dbraw/zinc/77/86/15/870778615.db2.gz DGSYFVKGPTUAGL-IRLDBZIGSA-N 1 3 383.511 3.764 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000249173929 870778628 /nfs/dbraw/zinc/77/86/28/870778628.db2.gz DGSYFVKGPTUAGL-IRLDBZIGSA-N 1 3 383.511 3.764 20 0 GHADHO COc1ccc([C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C(C)C)cc1 ZINC000540260681 870864995 /nfs/dbraw/zinc/86/49/95/870864995.db2.gz MTCOHBCZBOZASR-XMMPIXPASA-N 1 3 381.564 3.930 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cc(Cl)cc4ccccc43)CC2)CC1 ZINC000630863357 870999187 /nfs/dbraw/zinc/99/91/87/870999187.db2.gz UECNKHUPJXMVQA-UHFFFAOYSA-N 1 3 399.966 3.711 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)CCN1Cc1ccccc1 ZINC000463206904 871137875 /nfs/dbraw/zinc/13/78/75/871137875.db2.gz QRTHEVQTYFGMNT-RDPSFJRHSA-N 1 3 377.576 3.728 20 0 GHADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000539059135 871196095 /nfs/dbraw/zinc/19/60/95/871196095.db2.gz CKASGWPHRYNSMO-AQNXPRMDSA-N 1 3 378.944 3.830 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC3CCOCC3)c(C(F)(F)F)c1)C2 ZINC001169118022 871208418 /nfs/dbraw/zinc/20/84/18/871208418.db2.gz BZMJJYRNJLYWDM-OSYLJGHBSA-N 1 3 398.469 3.978 20 0 GHADHO CC(C)[NH+]1CCC(CCNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC001169118146 871208691 /nfs/dbraw/zinc/20/86/91/871208691.db2.gz RXAPPBVSSQMQRG-OAQYLSRUSA-N 1 3 399.623 3.956 20 0 GHADHO Cc1cc(Cl)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000122277244 882498646 /nfs/dbraw/zinc/49/86/46/882498646.db2.gz MOGPIOWYRQOVKE-UHFFFAOYSA-N 1 3 399.366 3.982 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC001169553406 871631041 /nfs/dbraw/zinc/63/10/41/871631041.db2.gz CXZAFNVKVHHRPO-KMDXXIMOSA-N 1 3 393.575 3.797 20 0 GHADHO CN1CCC[C@H]1CC[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001194359022 871635715 /nfs/dbraw/zinc/63/57/15/871635715.db2.gz RPKKEZVQKILMMB-OALUTQOASA-N 1 3 379.589 3.828 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000552034576 871658998 /nfs/dbraw/zinc/65/89/98/871658998.db2.gz GUSOGJWRXWUCAM-XWVZOOPGSA-N 1 3 382.548 3.711 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](N[C@@H]1COc3cc(F)ccc3C1)c1ccccc1O2 ZINC000572542575 871689650 /nfs/dbraw/zinc/68/96/50/871689650.db2.gz FZCAETOSPFJHGO-ICSRJNTNSA-N 1 3 382.479 3.707 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+][C@@H]1COc3cc(F)ccc3C1)c1ccccc1O2 ZINC000572542575 871689663 /nfs/dbraw/zinc/68/96/63/871689663.db2.gz FZCAETOSPFJHGO-ICSRJNTNSA-N 1 3 382.479 3.707 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CCO1 ZINC000540733579 872022237 /nfs/dbraw/zinc/02/22/37/872022237.db2.gz TVLVWSUGYWZATN-NFBKMPQASA-N 1 3 379.548 3.666 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)C[C@H](O)c2ccccc2)CC1 ZINC000763515694 872231312 /nfs/dbraw/zinc/23/13/12/872231312.db2.gz FVADFYBGWOEKNN-YKSBVNFPSA-N 1 3 381.564 3.820 20 0 GHADHO CN1CC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000552275969 872371589 /nfs/dbraw/zinc/37/15/89/872371589.db2.gz GOQUELIGGUXKNU-QEJZJMRPSA-N 1 3 377.838 3.595 20 0 GHADHO C[N@@H+]1CC[C@H](NCCOc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000552275969 872371608 /nfs/dbraw/zinc/37/16/08/872371608.db2.gz GOQUELIGGUXKNU-QEJZJMRPSA-N 1 3 377.838 3.595 20 0 GHADHO C[N@H+]1CC[C@H](NCCOc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000552275969 872371626 /nfs/dbraw/zinc/37/16/26/872371626.db2.gz GOQUELIGGUXKNU-QEJZJMRPSA-N 1 3 377.838 3.595 20 0 GHADHO CN1CC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000552275970 872371833 /nfs/dbraw/zinc/37/18/33/872371833.db2.gz GOQUELIGGUXKNU-SNPRPXQTSA-N 1 3 377.838 3.595 20 0 GHADHO C[N@@H+]1CC[C@H](NCCOc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000552275970 872371851 /nfs/dbraw/zinc/37/18/51/872371851.db2.gz GOQUELIGGUXKNU-SNPRPXQTSA-N 1 3 377.838 3.595 20 0 GHADHO C[N@H+]1CC[C@H](NCCOc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000552275970 872371870 /nfs/dbraw/zinc/37/18/70/872371870.db2.gz GOQUELIGGUXKNU-SNPRPXQTSA-N 1 3 377.838 3.595 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC([NH+](CC)CC)CC1)c1ccsc1 ZINC000079981570 872447871 /nfs/dbraw/zinc/44/78/71/872447871.db2.gz ALCLYXYVMOMGGY-LJQANCHMSA-N 1 3 380.602 3.647 20 0 GHADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000768686165 873526360 /nfs/dbraw/zinc/52/63/60/873526360.db2.gz IHRSLDJNWNGNFR-SFHVURJKSA-N 1 3 397.563 3.696 20 0 GHADHO C[C@@]1([C@@H]2CCC[N@H+](CCCN3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892509 874094519 /nfs/dbraw/zinc/09/45/19/874094519.db2.gz YFOPOWDLNRMXIV-VWNXMTODSA-N 1 3 399.579 3.542 20 0 GHADHO C[C@@]1([C@@H]2CCC[N@@H+](CCCN3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892509 874094535 /nfs/dbraw/zinc/09/45/35/874094535.db2.gz YFOPOWDLNRMXIV-VWNXMTODSA-N 1 3 399.579 3.542 20 0 GHADHO C[C@@]1([C@@H]2CCCN(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892509 874094550 /nfs/dbraw/zinc/09/45/50/874094550.db2.gz YFOPOWDLNRMXIV-VWNXMTODSA-N 1 3 399.579 3.542 20 0 GHADHO COc1ccc2cc(C[NH+]3CCC(C)(CN4CCN(C)CC4)CC3)ccc2c1 ZINC000541761378 874226412 /nfs/dbraw/zinc/22/64/12/874226412.db2.gz YFMJLWIABMRQHK-UHFFFAOYSA-N 1 3 381.564 3.698 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C/C=C\c2ccc(F)cc2F)cc1 ZINC000541774824 874241832 /nfs/dbraw/zinc/24/18/32/874241832.db2.gz MCLUUQFOOZIYJY-ARJAWSKDSA-N 1 3 399.485 3.593 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCN2CCc3sccc3C2)CC1 ZINC000449092080 874492760 /nfs/dbraw/zinc/49/27/60/874492760.db2.gz LFFZUSAWGGHGHQ-IBGZPJMESA-N 1 3 383.605 3.791 20 0 GHADHO COc1cccc(N2CC[C@H](NC3CC[NH+]([C@@H](C)Cc4ccccc4)CC3)C2)c1 ZINC000449118772 874502288 /nfs/dbraw/zinc/50/22/88/874502288.db2.gz UJLMCWVZWAPJLL-REWPJTCUSA-N 1 3 393.575 3.959 20 0 GHADHO COCCC[NH+]1CCC(N[C@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449112533 874522426 /nfs/dbraw/zinc/52/24/26/874522426.db2.gz RJESLUWAFVFDHJ-CQSZACIVSA-N 1 3 375.340 3.851 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449184566 874576877 /nfs/dbraw/zinc/57/68/77/874576877.db2.gz FCVHYNXEHYCZLF-QZTJIDSGSA-N 1 3 393.503 3.556 20 0 GHADHO COc1ccc(CNC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1F ZINC000449520061 874992165 /nfs/dbraw/zinc/99/21/65/874992165.db2.gz DDPYMTOOXFMCQO-UHFFFAOYSA-N 1 3 385.483 3.547 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H](c5ccncc5)C4)[C@H]3C2)cc1 ZINC000449532802 875014448 /nfs/dbraw/zinc/01/44/48/875014448.db2.gz DQHGZICQVVRKRZ-HTUFRPJOSA-N 1 3 377.532 3.802 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000449632160 875177307 /nfs/dbraw/zinc/17/73/07/875177307.db2.gz XIWCZYPBLZPGDP-TZIWHRDSSA-N 1 3 385.577 3.900 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000776051342 875279667 /nfs/dbraw/zinc/27/96/67/875279667.db2.gz FZPMDMIQZGTRKT-JSRJAPPDSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2cnnn2Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000491345789 875622930 /nfs/dbraw/zinc/62/29/30/875622930.db2.gz JKWAMEPERHISFU-OFNKIYASSA-N 1 3 389.547 3.717 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2cnnn2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000491345789 875622936 /nfs/dbraw/zinc/62/29/36/875622936.db2.gz JKWAMEPERHISFU-OFNKIYASSA-N 1 3 389.547 3.717 20 0 GHADHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C[C@@H]2CC=CCC2)C3)c1 ZINC001201411538 875672450 /nfs/dbraw/zinc/67/24/50/875672450.db2.gz QDAMBEKIEGYMTA-ZODMCCGTSA-N 1 3 395.591 3.988 20 0 GHADHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C[C@@H]2CC=CCC2)C3)c1 ZINC001201411538 875672456 /nfs/dbraw/zinc/67/24/56/875672456.db2.gz QDAMBEKIEGYMTA-ZODMCCGTSA-N 1 3 395.591 3.988 20 0 GHADHO Cc1cc(Br)cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000850357330 876847911 /nfs/dbraw/zinc/84/79/11/876847911.db2.gz FVPSDBMVRQMSRJ-HXUWFJFHSA-N 1 3 389.337 3.614 20 0 GHADHO Cc1cc(Br)cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000850357330 876847926 /nfs/dbraw/zinc/84/79/26/876847926.db2.gz FVPSDBMVRQMSRJ-HXUWFJFHSA-N 1 3 389.337 3.614 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000850421279 876903650 /nfs/dbraw/zinc/90/36/50/876903650.db2.gz SOUKQJOMQOHCJD-CFLQYTFWSA-N 1 3 378.438 3.780 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000850421279 876903659 /nfs/dbraw/zinc/90/36/59/876903659.db2.gz SOUKQJOMQOHCJD-CFLQYTFWSA-N 1 3 378.438 3.780 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792023 876942909 /nfs/dbraw/zinc/94/29/09/876942909.db2.gz GJGNLKMOEXBFIW-GOSISDBHSA-N 1 3 380.536 3.907 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792023 876942916 /nfs/dbraw/zinc/94/29/16/876942916.db2.gz GJGNLKMOEXBFIW-GOSISDBHSA-N 1 3 380.536 3.907 20 0 GHADHO C[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2Cl)(N2CCCCC2)CC1 ZINC000174361065 876988141 /nfs/dbraw/zinc/98/81/41/876988141.db2.gz CJSBBTYUCQDOTE-UHFFFAOYSA-N 1 3 382.911 3.551 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1OC ZINC000850558059 877024582 /nfs/dbraw/zinc/02/45/82/877024582.db2.gz PRFMFSHURKOJHZ-QZTJIDSGSA-N 1 3 389.584 3.835 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581004 877054893 /nfs/dbraw/zinc/05/48/93/877054893.db2.gz CHRIZWVSUNVSDW-VOBQZIQPSA-N 1 3 378.438 3.638 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581004 877054911 /nfs/dbraw/zinc/05/49/11/877054911.db2.gz CHRIZWVSUNVSDW-VOBQZIQPSA-N 1 3 378.438 3.638 20 0 GHADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCN[C@@H](c4ccccc4)C3)CC2)oc1C ZINC000667006643 877607234 /nfs/dbraw/zinc/60/72/34/877607234.db2.gz HLJQHJIVQYNAMJ-FCHUYYIVSA-N 1 3 382.552 3.586 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(CC([NH2+]C3CCN(C4CCCCC4)CC3)C2)C1 ZINC000788613576 878212751 /nfs/dbraw/zinc/21/27/51/878212751.db2.gz SFYLFKDGJMYKBG-UHFFFAOYSA-N 1 3 377.573 3.773 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(CC(NC3CC[NH+](C4CCCCC4)CC3)C2)C1 ZINC000788613576 878212767 /nfs/dbraw/zinc/21/27/67/878212767.db2.gz SFYLFKDGJMYKBG-UHFFFAOYSA-N 1 3 377.573 3.773 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000176377745 878236850 /nfs/dbraw/zinc/23/68/50/878236850.db2.gz VZFQTBYITOGWPE-JOCHJYFZSA-N 1 3 398.595 3.557 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000176377745 878236868 /nfs/dbraw/zinc/23/68/68/878236868.db2.gz VZFQTBYITOGWPE-JOCHJYFZSA-N 1 3 398.595 3.557 20 0 GHADHO CN1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000245685702 878372505 /nfs/dbraw/zinc/37/25/05/878372505.db2.gz WFGDOACGQMATGL-FCHUYYIVSA-N 1 3 384.568 3.528 20 0 GHADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000530902329 878716547 /nfs/dbraw/zinc/71/65/47/878716547.db2.gz FSYMOKGPBSVAPR-HSZRJFAPSA-N 1 3 382.548 3.900 20 0 GHADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000530902329 878716564 /nfs/dbraw/zinc/71/65/64/878716564.db2.gz FSYMOKGPBSVAPR-HSZRJFAPSA-N 1 3 382.548 3.900 20 0 GHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000245956568 878794791 /nfs/dbraw/zinc/79/47/91/878794791.db2.gz CSMQUXHHQMTVGL-OWCLPIDISA-N 1 3 378.948 3.767 20 0 GHADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000178523009 879139760 /nfs/dbraw/zinc/13/97/60/879139760.db2.gz FALYFNLZOMDDLK-SFHVURJKSA-N 1 3 386.511 3.902 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H](CC2CCC2)c2ccccc2)c1 ZINC000538394830 879414416 /nfs/dbraw/zinc/41/44/16/879414416.db2.gz QWZOUQOVVSBELD-QHCPKHFHSA-N 1 3 379.548 3.999 20 0 GHADHO CC(C)C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)NCC[NH+](C)C ZINC000538545240 879654218 /nfs/dbraw/zinc/65/42/18/879654218.db2.gz MCMBIZSHENAFQI-SJORKVTESA-N 1 3 383.989 3.559 20 0 GHADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000494068282 879890935 /nfs/dbraw/zinc/89/09/35/879890935.db2.gz GEQSHQDBQDQTCF-HYBUGGRVSA-N 1 3 391.559 3.678 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453107266 880474503 /nfs/dbraw/zinc/47/45/03/880474503.db2.gz ICRZAMGIIDPWBL-SMIHKQSGSA-N 1 3 399.623 3.909 20 0 GHADHO CCN1CCN(c2ccc(N[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000776807827 880507023 /nfs/dbraw/zinc/50/70/23/880507023.db2.gz YPFZGVYZYXFYEH-RDPSFJRHSA-N 1 3 393.579 3.546 20 0 GHADHO CCN1CCN(c2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000776807827 880507027 /nfs/dbraw/zinc/50/70/27/880507027.db2.gz YPFZGVYZYXFYEH-RDPSFJRHSA-N 1 3 393.579 3.546 20 0 GHADHO CC[NH+]1CCN(c2ccc(N[C@H]3CCN(Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000776807827 880507029 /nfs/dbraw/zinc/50/70/29/880507029.db2.gz YPFZGVYZYXFYEH-RDPSFJRHSA-N 1 3 393.579 3.546 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000185805900 880699431 /nfs/dbraw/zinc/69/94/31/880699431.db2.gz ONSDOILDDKOVJV-QFIPXVFZSA-N 1 3 380.536 3.780 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000185805900 880699441 /nfs/dbraw/zinc/69/94/41/880699441.db2.gz ONSDOILDDKOVJV-QFIPXVFZSA-N 1 3 380.536 3.780 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453295285 880743298 /nfs/dbraw/zinc/74/32/98/880743298.db2.gz YEGMFYWLATZUER-FPOVZHCZSA-N 1 3 385.596 3.696 20 0 GHADHO Clc1cccnc1N1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000119949068 881224064 /nfs/dbraw/zinc/22/40/64/881224064.db2.gz CGGLBQNDGLQXFV-HXUWFJFHSA-N 1 3 384.955 3.610 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000476991016 883527658 /nfs/dbraw/zinc/52/76/58/883527658.db2.gz YCWKJSZKIXTCNS-UYAOXDASSA-N 1 3 378.532 3.542 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000476991016 883527667 /nfs/dbraw/zinc/52/76/67/883527667.db2.gz YCWKJSZKIXTCNS-UYAOXDASSA-N 1 3 378.532 3.542 20 0 GHADHO Cc1cc(F)c(F)cc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911654 883835464 /nfs/dbraw/zinc/83/54/64/883835464.db2.gz SKSJKACOXFMRBN-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(F)c(F)cc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911654 883835475 /nfs/dbraw/zinc/83/54/75/883835475.db2.gz SKSJKACOXFMRBN-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(F)c(F)cc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911655 883839529 /nfs/dbraw/zinc/83/95/29/883839529.db2.gz SKSJKACOXFMRBN-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(F)c(F)cc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911655 883839540 /nfs/dbraw/zinc/83/95/40/883839540.db2.gz SKSJKACOXFMRBN-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO Fc1cccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1Cl ZINC001211911682 883840665 /nfs/dbraw/zinc/84/06/65/883840665.db2.gz SWPYVQQMLWXJHU-INIZCTEOSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1cccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1Cl ZINC001211911682 883840679 /nfs/dbraw/zinc/84/06/79/883840679.db2.gz SWPYVQQMLWXJHU-INIZCTEOSA-N 1 3 398.869 3.718 20 0 GHADHO CN(CCN(Cc1ccccc1)C(=O)NC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000418380495 884020270 /nfs/dbraw/zinc/02/02/70/884020270.db2.gz FNDWJQBTDICLJA-UHFFFAOYSA-N 1 3 394.563 3.600 20 0 GHADHO CC(C)C(=O)NCCN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000556260050 884264116 /nfs/dbraw/zinc/26/41/16/884264116.db2.gz APCHBGRGXPVRDT-OAQYLSRUSA-N 1 3 377.548 3.741 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@@H]3CCCc4ccc(F)cc43)cc2)CC1 ZINC000666253088 884429095 /nfs/dbraw/zinc/42/90/95/884429095.db2.gz ILVCMITUWXAQLY-HSZRJFAPSA-N 1 3 395.522 3.690 20 0 GHADHO Cc1c(C)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nnc1Cl ZINC001170522242 885380020 /nfs/dbraw/zinc/38/00/20/885380020.db2.gz DSIXJDAMQKNUOA-UHFFFAOYSA-N 1 3 383.927 3.656 20 0 GHADHO COC(=O)[C@@H]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001170523710 885422275 /nfs/dbraw/zinc/42/22/75/885422275.db2.gz IECYTPLKHIJEAO-QPXUXIHVSA-N 1 3 392.543 3.976 20 0 GHADHO COC(=O)[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001170523710 885422291 /nfs/dbraw/zinc/42/22/91/885422291.db2.gz IECYTPLKHIJEAO-QPXUXIHVSA-N 1 3 392.543 3.976 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000303130362 885462474 /nfs/dbraw/zinc/46/24/74/885462474.db2.gz KFPKJKJLCQBDQG-VWPQPMDRSA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000303130362 885462481 /nfs/dbraw/zinc/46/24/81/885462481.db2.gz KFPKJKJLCQBDQG-VWPQPMDRSA-N 1 3 386.584 3.552 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nccc(-c4ccco4)n3)c3ccccc23)CC1 ZINC001170526170 885486521 /nfs/dbraw/zinc/48/65/21/885486521.db2.gz VWYFCQSZJLBSGN-UHFFFAOYSA-N 1 3 387.487 3.646 20 0 GHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000171131196 885743613 /nfs/dbraw/zinc/74/36/13/885743613.db2.gz VJZRHOOQQVULKJ-SFHVURJKSA-N 1 3 397.519 3.825 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3Oc3ccccc3)CC2)CC1 ZINC000050800861 887709700 /nfs/dbraw/zinc/70/97/00/887709700.db2.gz VWJZAYLGYCFJJO-UHFFFAOYSA-N 1 3 393.531 3.767 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403207 913186389 /nfs/dbraw/zinc/18/63/89/913186389.db2.gz AHGXRDZQWMOUTM-QUCCMNQESA-N 1 3 391.987 3.933 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403207 913186394 /nfs/dbraw/zinc/18/63/94/913186394.db2.gz AHGXRDZQWMOUTM-QUCCMNQESA-N 1 3 391.987 3.933 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1CCCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001184405845 913193075 /nfs/dbraw/zinc/19/30/75/913193075.db2.gz MLQPIGZCZIUKFJ-ZIBCJSCZSA-N 1 3 389.971 3.684 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1CCCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001184405845 913193081 /nfs/dbraw/zinc/19/30/81/913193081.db2.gz MLQPIGZCZIUKFJ-ZIBCJSCZSA-N 1 3 389.971 3.684 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193797859 888524975 /nfs/dbraw/zinc/52/49/75/888524975.db2.gz STADKMLZAFAQJC-LJQANCHMSA-N 1 3 391.515 3.746 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193797859 888524985 /nfs/dbraw/zinc/52/49/85/888524985.db2.gz STADKMLZAFAQJC-LJQANCHMSA-N 1 3 391.515 3.746 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810568241 888628872 /nfs/dbraw/zinc/62/88/72/888628872.db2.gz XFSNXUFXBZMRHM-PGRDOPGGSA-N 1 3 381.580 3.702 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810568241 888628878 /nfs/dbraw/zinc/62/88/78/888628878.db2.gz XFSNXUFXBZMRHM-PGRDOPGGSA-N 1 3 381.580 3.702 20 0 GHADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137846 888650227 /nfs/dbraw/zinc/65/02/27/888650227.db2.gz SNWYGKLZWSVWCC-AZUAARDMSA-N 1 3 379.504 3.816 20 0 GHADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137846 888650235 /nfs/dbraw/zinc/65/02/35/888650235.db2.gz SNWYGKLZWSVWCC-AZUAARDMSA-N 1 3 379.504 3.816 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137822 888650359 /nfs/dbraw/zinc/65/03/59/888650359.db2.gz SNWYGKLZWSVWCC-ICSRJNTNSA-N 1 3 379.504 3.816 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137822 888650369 /nfs/dbraw/zinc/65/03/69/888650369.db2.gz SNWYGKLZWSVWCC-ICSRJNTNSA-N 1 3 379.504 3.816 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1)CC1CC1 ZINC000810867422 888969946 /nfs/dbraw/zinc/96/99/46/888969946.db2.gz VDYSMYFOBQXCLA-JOCHJYFZSA-N 1 3 381.580 3.560 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1)CC1CC1 ZINC000810867422 888969956 /nfs/dbraw/zinc/96/99/56/888969956.db2.gz VDYSMYFOBQXCLA-JOCHJYFZSA-N 1 3 381.580 3.560 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000644525547 913338703 /nfs/dbraw/zinc/33/87/03/913338703.db2.gz UCOJSKQIMYHKAC-QFIPXVFZSA-N 1 3 382.548 3.946 20 0 GHADHO CC(C)C[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467422 889627532 /nfs/dbraw/zinc/62/75/32/889627532.db2.gz MFHWISDDQHBTFL-QWFCFKBJSA-N 1 3 379.589 3.875 20 0 GHADHO CC(C)C[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467422 889627539 /nfs/dbraw/zinc/62/75/39/889627539.db2.gz MFHWISDDQHBTFL-QWFCFKBJSA-N 1 3 379.589 3.875 20 0 GHADHO CCOc1ccc(OC[C@@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000644569836 913373349 /nfs/dbraw/zinc/37/33/49/913373349.db2.gz FGOJYKQLEUSWHZ-KNQAVFIVSA-N 1 3 398.547 3.640 20 0 GHADHO C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)CN1CCCCC1 ZINC000125566687 890038564 /nfs/dbraw/zinc/03/85/64/890038564.db2.gz UTWDJVXAKBQTRW-QGZVFWFLSA-N 1 3 377.960 3.656 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655763317 891241846 /nfs/dbraw/zinc/24/18/46/891241846.db2.gz NBBSTZRABRKQIT-XZOQPEGZSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000127948204 891331059 /nfs/dbraw/zinc/33/10/59/891331059.db2.gz FEAXZMCZLRCRFP-MOPGFXCFSA-N 1 3 392.613 3.552 20 0 GHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000127948204 891331073 /nfs/dbraw/zinc/33/10/73/891331073.db2.gz FEAXZMCZLRCRFP-MOPGFXCFSA-N 1 3 392.613 3.552 20 0 GHADHO C[N@@H+]1CCC[C@H](CN[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325422 891487794 /nfs/dbraw/zinc/48/77/94/891487794.db2.gz DKZFTTYBZIFYRK-QUCCMNQESA-N 1 3 375.557 3.964 20 0 GHADHO C[N@H+]1CCC[C@H](CN[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325422 891487802 /nfs/dbraw/zinc/48/78/02/891487802.db2.gz DKZFTTYBZIFYRK-QUCCMNQESA-N 1 3 375.557 3.964 20 0 GHADHO COc1c(C)cc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1Cl ZINC000873242842 891545579 /nfs/dbraw/zinc/54/55/79/891545579.db2.gz GMBBRTMSQMDAQV-CQSZACIVSA-N 1 3 385.899 3.547 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CN1Cc1ccccc1 ZINC000497557690 891858868 /nfs/dbraw/zinc/85/88/68/891858868.db2.gz DJIIKLGMOMEALN-WMZHIEFXSA-N 1 3 398.595 3.603 20 0 GHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(Cc3cccnc3)CC2)CC1 ZINC000508674848 891950405 /nfs/dbraw/zinc/95/04/05/891950405.db2.gz DASDNEMYWMWREZ-UHFFFAOYSA-N 1 3 378.564 3.678 20 0 GHADHO C[C@@H](Nc1cccc(CN2CCN(C)CC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508708257 892775403 /nfs/dbraw/zinc/77/54/03/892775403.db2.gz ARYLBDWTIXQMBP-ZJSXRUAMSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@@H](Nc1cccc(CN2CCN(C)CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708257 892775414 /nfs/dbraw/zinc/77/54/14/892775414.db2.gz ARYLBDWTIXQMBP-ZJSXRUAMSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(N2CCCC2=O)c1 ZINC000162568303 892776805 /nfs/dbraw/zinc/77/68/05/892776805.db2.gz LTJAAYAFKRAERV-GOSISDBHSA-N 1 3 381.520 3.605 20 0 GHADHO COCCOc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563120149 893374208 /nfs/dbraw/zinc/37/42/08/893374208.db2.gz TXDIFAWDVFIZQN-QFIPXVFZSA-N 1 3 380.532 3.999 20 0 GHADHO COCCOc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563120149 893374229 /nfs/dbraw/zinc/37/42/29/893374229.db2.gz TXDIFAWDVFIZQN-QFIPXVFZSA-N 1 3 380.532 3.999 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000533892472 893382505 /nfs/dbraw/zinc/38/25/05/893382505.db2.gz PFTGKIZCKNNCAL-XZOQPEGZSA-N 1 3 394.563 3.771 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000533892472 893382526 /nfs/dbraw/zinc/38/25/26/893382526.db2.gz PFTGKIZCKNNCAL-XZOQPEGZSA-N 1 3 394.563 3.771 20 0 GHADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934379 893439618 /nfs/dbraw/zinc/43/96/18/893439618.db2.gz HYFSCTQJNDNTEM-DYESRHJHSA-N 1 3 387.568 3.752 20 0 GHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934379 893439624 /nfs/dbraw/zinc/43/96/24/893439624.db2.gz HYFSCTQJNDNTEM-DYESRHJHSA-N 1 3 387.568 3.752 20 0 GHADHO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000877089162 893479650 /nfs/dbraw/zinc/47/96/50/893479650.db2.gz KWJHSHGMOSZQIK-WOJBJXKFSA-N 1 3 389.540 3.501 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3cccc(C)c3)CC2)CC1 ZINC000563374908 893678657 /nfs/dbraw/zinc/67/86/57/893678657.db2.gz SJKOGJIFMQEXPS-HSZRJFAPSA-N 1 3 383.580 3.855 20 0 GHADHO Cc1ncc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439149 893725712 /nfs/dbraw/zinc/72/57/12/893725712.db2.gz FTOPRXHEOGXKPF-APWZRJJASA-N 1 3 380.458 3.920 20 0 GHADHO Cc1ncc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439149 893725722 /nfs/dbraw/zinc/72/57/22/893725722.db2.gz FTOPRXHEOGXKPF-APWZRJJASA-N 1 3 380.458 3.920 20 0 GHADHO CN1CC[C@H](C[NH2+]C2CCN(CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537094515 894332694 /nfs/dbraw/zinc/33/26/94/894332694.db2.gz JLAKTVGYRHPTTK-UTKZUKDTSA-N 1 3 379.951 3.936 20 0 GHADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000455847671 894593429 /nfs/dbraw/zinc/59/34/29/894593429.db2.gz JAFOEMPZZOHVOC-YADHBBJMSA-N 1 3 396.535 3.669 20 0 GHADHO CC(C)Oc1ccccc1CN1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137138152 894652259 /nfs/dbraw/zinc/65/22/59/894652259.db2.gz QLPJPPHKVXXUGZ-UHFFFAOYSA-N 1 3 382.552 3.715 20 0 GHADHO CC[NH+](CC)CCOc1ccccc1-c1noc(C2CCN(C3CC3)CC2)n1 ZINC000288839079 913899752 /nfs/dbraw/zinc/89/97/52/913899752.db2.gz AKDYKNZOIUKKQU-UHFFFAOYSA-N 1 3 384.524 3.799 20 0 GHADHO CC(C)C[C@@H]([NH3+])c1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000564960026 895327147 /nfs/dbraw/zinc/32/71/47/895327147.db2.gz ZUAMFJFMJRMWGF-GOSISDBHSA-N 1 3 381.524 3.885 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(CSC(F)F)o3)CC2)CC1 ZINC000817414416 895591018 /nfs/dbraw/zinc/59/10/18/895591018.db2.gz ZLLVFQQITOVHJU-UHFFFAOYSA-N 1 3 387.540 3.727 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(CSC(F)F)o3)CC2)CC1 ZINC000817414416 895591023 /nfs/dbraw/zinc/59/10/23/895591023.db2.gz ZLLVFQQITOVHJU-UHFFFAOYSA-N 1 3 387.540 3.727 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(CSC(F)F)o3)CC2)CC1 ZINC000817414416 895591032 /nfs/dbraw/zinc/59/10/32/895591032.db2.gz ZLLVFQQITOVHJU-UHFFFAOYSA-N 1 3 387.540 3.727 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@H](C)C2(OC)CCOCC2)cc1CN1CCCCC1 ZINC000817588614 895759390 /nfs/dbraw/zinc/75/93/90/895759390.db2.gz QGWXZDYOQDFUBN-RBUKOAKNSA-N 1 3 390.568 3.916 20 0 GHADHO O=C(NC[C@H]1CCCN(CCCc2c(Cl)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000565775110 895867913 /nfs/dbraw/zinc/86/79/13/895867913.db2.gz HDWIJZDZUJKHHP-DNVCBOLYSA-N 1 3 398.378 3.506 20 0 GHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000817890985 895951353 /nfs/dbraw/zinc/95/13/53/895951353.db2.gz DAULALIIWSIZPF-YBVWCTEOSA-N 1 3 393.487 3.550 20 0 GHADHO O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1Cl ZINC000817905542 895956091 /nfs/dbraw/zinc/95/60/91/895956091.db2.gz NZRGQELUFSHRKN-QWFCFKBJSA-N 1 3 393.314 3.872 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cn2ccc(Br)cc2n1 ZINC000567033218 896816653 /nfs/dbraw/zinc/81/66/53/896816653.db2.gz QIKICVUQNOIUQA-OAHLLOKOSA-N 1 3 379.346 3.841 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cn2ccc(Br)cc2n1 ZINC000567033218 896816661 /nfs/dbraw/zinc/81/66/61/896816661.db2.gz QIKICVUQNOIUQA-OAHLLOKOSA-N 1 3 379.346 3.841 20 0 GHADHO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000567103531 896876616 /nfs/dbraw/zinc/87/66/16/896876616.db2.gz HSCLOFXYHOWQBN-GRYUFTJMSA-N 1 3 394.559 3.536 20 0 GHADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000567451973 897168325 /nfs/dbraw/zinc/16/83/25/897168325.db2.gz RPABOFCOCJGCRD-QHINFIMTSA-N 1 3 377.941 3.981 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000567624634 897301470 /nfs/dbraw/zinc/30/14/70/897301470.db2.gz UUQARURQUANPTB-UHFFFAOYSA-N 1 3 383.580 3.589 20 0 GHADHO C[C@@H](N[C@@H](Cn1ccnc1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000883386159 897548373 /nfs/dbraw/zinc/54/83/73/897548373.db2.gz APEVOOYBFCHHCF-XXBNENTESA-N 1 3 378.520 3.916 20 0 GHADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001136428819 897803919 /nfs/dbraw/zinc/80/39/19/897803919.db2.gz NNWWRGLYFRUCDL-JOCHJYFZSA-N 1 3 385.596 3.664 20 0 GHADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001136428819 897803932 /nfs/dbraw/zinc/80/39/32/897803932.db2.gz NNWWRGLYFRUCDL-JOCHJYFZSA-N 1 3 385.596 3.664 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(Br)nc1 ZINC000289579497 914248333 /nfs/dbraw/zinc/24/83/33/914248333.db2.gz DSQKOTFSKCKQCC-CQSZACIVSA-N 1 3 378.314 3.635 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)CC[N@H+](C)C3CCCCC3)c(C)c2)CC1 ZINC000569405317 898628517 /nfs/dbraw/zinc/62/85/17/898628517.db2.gz KYQRSUQPRHYIBV-UHFFFAOYSA-N 1 3 386.584 3.730 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c(C)c2)CC1 ZINC000569405317 898628522 /nfs/dbraw/zinc/62/85/22/898628522.db2.gz KYQRSUQPRHYIBV-UHFFFAOYSA-N 1 3 386.584 3.730 20 0 GHADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001136651575 898766126 /nfs/dbraw/zinc/76/61/26/898766126.db2.gz MTMSYEFVSARQPB-HSZRJFAPSA-N 1 3 391.559 3.667 20 0 GHADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001136651575 898766139 /nfs/dbraw/zinc/76/61/39/898766139.db2.gz MTMSYEFVSARQPB-HSZRJFAPSA-N 1 3 391.559 3.667 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CNC4)cc2)CC1 ZINC000570664535 899487936 /nfs/dbraw/zinc/48/79/36/899487936.db2.gz LZLHHTDRYILOMD-UHFFFAOYSA-N 1 3 378.520 3.843 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000824302554 899514513 /nfs/dbraw/zinc/51/45/13/899514513.db2.gz WWKFBZNDYXHJKB-YTZAWJCFSA-N 1 3 396.531 3.522 20 0 GHADHO Clc1cnc(NCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000572026555 900038461 /nfs/dbraw/zinc/03/84/61/900038461.db2.gz WXRHZDNACQOHDU-LPHOPBHVSA-N 1 3 393.318 3.646 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000572426051 900181536 /nfs/dbraw/zinc/18/15/36/900181536.db2.gz QKHWWVDTYZEDOM-PXNSSMCTSA-N 1 3 394.991 3.754 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000572426051 900181539 /nfs/dbraw/zinc/18/15/39/900181539.db2.gz QKHWWVDTYZEDOM-PXNSSMCTSA-N 1 3 394.991 3.754 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000289950449 914445323 /nfs/dbraw/zinc/44/53/23/914445323.db2.gz PENFWKNOJWLRJP-AZUAARDMSA-N 1 3 388.552 3.812 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000289950449 914445326 /nfs/dbraw/zinc/44/53/26/914445326.db2.gz PENFWKNOJWLRJP-AZUAARDMSA-N 1 3 388.552 3.812 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cc(Cl)n1 ZINC000844186490 900571220 /nfs/dbraw/zinc/57/12/20/900571220.db2.gz XGHHNAKPOYBXLA-SFHVURJKSA-N 1 3 399.926 3.588 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844624129 901086645 /nfs/dbraw/zinc/08/66/45/901086645.db2.gz CPSARZIFHXEOLP-PCODUJHASA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844624129 901086653 /nfs/dbraw/zinc/08/66/53/901086653.db2.gz CPSARZIFHXEOLP-PCODUJHASA-N 1 3 396.453 3.877 20 0 GHADHO Cc1nccn1-c1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523751 901434358 /nfs/dbraw/zinc/43/43/58/901434358.db2.gz ZKSOOGGARFKFBE-IMRHEYAYSA-N 1 3 382.552 3.599 20 0 GHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523751 901434369 /nfs/dbraw/zinc/43/43/69/901434369.db2.gz ZKSOOGGARFKFBE-IMRHEYAYSA-N 1 3 382.552 3.599 20 0 GHADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc(N4CCN(C(C)C)CC4)nc3)c2c1 ZINC001171166296 901820589 /nfs/dbraw/zinc/82/05/89/901820589.db2.gz CTAGJCHNEBGSBA-IBGZPJMESA-N 1 3 391.563 3.754 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccco1 ZINC000576369626 901979517 /nfs/dbraw/zinc/97/95/17/901979517.db2.gz QHYQRTCVSCKLPF-JBACZVJFSA-N 1 3 398.551 3.845 20 0 GHADHO CCN(CC1(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)COC1)[C@@H]1CCOC(C)(C)C1 ZINC000577545707 902872520 /nfs/dbraw/zinc/87/25/20/902872520.db2.gz BIWQITBBWPJBQL-BGYRXZFFSA-N 1 3 396.616 3.562 20 0 GHADHO CCN(CC1(C[N@@H+](CC)[C@H]2CCOC(C)(C)C2)COC1)[C@@H]1CCOC(C)(C)C1 ZINC000577545707 902872526 /nfs/dbraw/zinc/87/25/26/902872526.db2.gz BIWQITBBWPJBQL-BGYRXZFFSA-N 1 3 396.616 3.562 20 0 GHADHO CCN(CC1(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)COC1)[C@H]1CCOC(C)(C)C1 ZINC000577545707 902872537 /nfs/dbraw/zinc/87/25/37/902872537.db2.gz BIWQITBBWPJBQL-BGYRXZFFSA-N 1 3 396.616 3.562 20 0 GHADHO CCN(CC1(C[N@@H+](CC)[C@@H]2CCOC(C)(C)C2)COC1)[C@H]1CCOC(C)(C)C1 ZINC000577545707 902872550 /nfs/dbraw/zinc/87/25/50/902872550.db2.gz BIWQITBBWPJBQL-BGYRXZFFSA-N 1 3 396.616 3.562 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000779016171 902880922 /nfs/dbraw/zinc/88/09/22/902880922.db2.gz ZNEVRGCEJQIZLY-STZQEDGTSA-N 1 3 399.579 3.854 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000779016171 902880932 /nfs/dbraw/zinc/88/09/32/902880932.db2.gz ZNEVRGCEJQIZLY-STZQEDGTSA-N 1 3 399.579 3.854 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccccc3Cl)CC2)CC1 ZINC000646560029 914666840 /nfs/dbraw/zinc/66/68/40/914666840.db2.gz SBBMJRNTKVSACG-INIZCTEOSA-N 1 3 377.960 3.714 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C3CC3)[C@H]3CCc4ccccc43)CC2)CC1 ZINC000578245795 903648419 /nfs/dbraw/zinc/64/84/19/903648419.db2.gz YQLYWMUHUJFHES-DEOSSOPVSA-N 1 3 395.591 3.861 20 0 GHADHO COc1cccc([C@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000265266129 903764500 /nfs/dbraw/zinc/76/45/00/903764500.db2.gz ZYZRAUFRHUIMKL-OALUTQOASA-N 1 3 395.547 3.515 20 0 GHADHO C[C@@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561879 903963613 /nfs/dbraw/zinc/96/36/13/903963613.db2.gz VXBIGUOARINALC-CTNGQTDRSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561879 903963630 /nfs/dbraw/zinc/96/36/30/903963630.db2.gz VXBIGUOARINALC-CTNGQTDRSA-N 1 3 390.535 3.615 20 0 GHADHO CN(c1ccccc1CN[C@@H](CCCO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000150979372 904052123 /nfs/dbraw/zinc/05/21/23/904052123.db2.gz GKQSXBMCMSAFCY-QHCPKHFHSA-N 1 3 381.564 3.820 20 0 GHADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000579574323 904714220 /nfs/dbraw/zinc/71/42/20/904714220.db2.gz TWQHBVZEYDVHFW-UYAOXDASSA-N 1 3 375.900 3.713 20 0 GHADHO CN1C(C)(C)CC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2F)CC1(C)C ZINC001171621037 904886467 /nfs/dbraw/zinc/88/64/67/904886467.db2.gz GMSHMYWEBDYJCF-WBVHZDCISA-N 1 3 385.568 3.823 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)CC1(C)C ZINC001171638447 904927809 /nfs/dbraw/zinc/92/78/09/904927809.db2.gz YDZGEUSESFLPNG-AUSIDOKSSA-N 1 3 387.568 3.735 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)CC1(C)C ZINC001171638447 904927811 /nfs/dbraw/zinc/92/78/11/904927811.db2.gz YDZGEUSESFLPNG-AUSIDOKSSA-N 1 3 387.568 3.735 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1(C)C ZINC001171641717 904931934 /nfs/dbraw/zinc/93/19/34/904931934.db2.gz UPZOPIDTOSSUMH-CQSZACIVSA-N 1 3 386.462 3.600 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1(C)C ZINC001171641717 904931946 /nfs/dbraw/zinc/93/19/46/904931946.db2.gz UPZOPIDTOSSUMH-CQSZACIVSA-N 1 3 386.462 3.600 20 0 GHADHO CC1(C)C[C@H](NC[C@@]2(O)CCOc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171981985 905236571 /nfs/dbraw/zinc/23/65/71/905236571.db2.gz FOHNYBMYDHSGOG-YKSBVNFPSA-N 1 3 380.532 3.690 20 0 GHADHO CC1(C)C[C@H](NC[C@@]2(O)CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171981985 905236589 /nfs/dbraw/zinc/23/65/89/905236589.db2.gz FOHNYBMYDHSGOG-YKSBVNFPSA-N 1 3 380.532 3.690 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171988164 905250732 /nfs/dbraw/zinc/25/07/32/905250732.db2.gz BQPJBCCEAQRFSR-PKOBYXMFSA-N 1 3 380.374 3.880 20 0 GHADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172058969 905258078 /nfs/dbraw/zinc/25/80/78/905258078.db2.gz YKFHBINVFHRELM-AABGKKOBSA-N 1 3 391.600 3.972 20 0 GHADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172058969 905258096 /nfs/dbraw/zinc/25/80/96/905258096.db2.gz YKFHBINVFHRELM-AABGKKOBSA-N 1 3 391.600 3.972 20 0 GHADHO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062923 905324741 /nfs/dbraw/zinc/32/47/41/905324741.db2.gz SOYPQXVHRHRNTD-JOZNFPNDSA-N 1 3 391.559 3.820 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@H]2CCN(Cc4ccncc4)C2)C3)cc1 ZINC001172067719 905335872 /nfs/dbraw/zinc/33/58/72/905335872.db2.gz RWOCAOZZVVBRKI-JBXUNAHCSA-N 1 3 390.575 3.831 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@H]2CCN(Cc4ccncc4)C2)C3)cc1 ZINC001172067719 905335884 /nfs/dbraw/zinc/33/58/84/905335884.db2.gz RWOCAOZZVVBRKI-JBXUNAHCSA-N 1 3 390.575 3.831 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC001172069121 905338953 /nfs/dbraw/zinc/33/89/53/905338953.db2.gz ZWNCZRHUEXJIRT-BXXSPATCSA-N 1 3 376.548 3.836 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC001172069121 905338972 /nfs/dbraw/zinc/33/89/72/905338972.db2.gz ZWNCZRHUEXJIRT-BXXSPATCSA-N 1 3 376.548 3.836 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110464 905357497 /nfs/dbraw/zinc/35/74/97/905357497.db2.gz NJVRAMSHCCUCRT-CIAFKFPVSA-N 1 3 399.579 3.953 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110464 905357517 /nfs/dbraw/zinc/35/75/17/905357517.db2.gz NJVRAMSHCCUCRT-CIAFKFPVSA-N 1 3 399.579 3.953 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CSc4ccccc4C3)cc2)CC1 ZINC001172187543 905387741 /nfs/dbraw/zinc/38/77/41/905387741.db2.gz MSZFMLFQBYEMLP-QFIPXVFZSA-N 1 3 381.589 3.631 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001172604584 905663861 /nfs/dbraw/zinc/66/38/61/905663861.db2.gz MPYLDWAAYJYNSY-UYAOXDASSA-N 1 3 378.944 3.873 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172640158 905702245 /nfs/dbraw/zinc/70/22/45/905702245.db2.gz GUXNAFBBKBXQHZ-IYWMVGAKSA-N 1 3 379.589 3.828 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172640158 905702248 /nfs/dbraw/zinc/70/22/48/905702248.db2.gz GUXNAFBBKBXQHZ-IYWMVGAKSA-N 1 3 379.589 3.828 20 0 GHADHO O=c1ccc2c(n1CCN1CCCC1)CC[C@@H]([NH2+]C1CCC3(CCCC3)CC1)C2 ZINC001172724337 905774632 /nfs/dbraw/zinc/77/46/32/905774632.db2.gz GDSTVLTXKMDHDU-JOCHJYFZSA-N 1 3 397.607 3.894 20 0 GHADHO CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001172759294 905801979 /nfs/dbraw/zinc/80/19/79/905801979.db2.gz QCKYNICHVJCXJQ-LJQANCHMSA-N 1 3 387.568 3.878 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)CC1 ZINC001172779143 905820557 /nfs/dbraw/zinc/82/05/57/905820557.db2.gz BFNQWPQWKISPSU-OALUTQOASA-N 1 3 381.520 3.787 20 0 GHADHO CC[NH+](CC)C1CCC(N2CCC(c3cccc(S(C)(=O)=O)c3)CC2)CC1 ZINC001173113223 906201494 /nfs/dbraw/zinc/20/14/94/906201494.db2.gz IAZOTEFJLOYZSX-UHFFFAOYSA-N 1 3 392.609 3.923 20 0 GHADHO Cc1cc(N2CCN(C3CCN(CC(F)(F)F)CC3)CC2)c2ccccc2[nH+]1 ZINC001173667561 906605223 /nfs/dbraw/zinc/60/52/23/906605223.db2.gz ZHQXECIDDVHNHE-UHFFFAOYSA-N 1 3 392.469 3.692 20 0 GHADHO CCN(Cc1ccccc1)C1CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173671243 906607157 /nfs/dbraw/zinc/60/71/57/906607157.db2.gz ZUUQMVHBOJBOMU-UHFFFAOYSA-N 1 3 383.502 4.000 20 0 GHADHO CC(C)C(=O)N1CCC([NH2+][C@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183128183 907332164 /nfs/dbraw/zinc/33/21/64/907332164.db2.gz CLSUCGLIDVPAIT-PUHATCMVSA-N 1 3 383.580 3.524 20 0 GHADHO COCCc1ncc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000631067215 907582038 /nfs/dbraw/zinc/58/20/38/907582038.db2.gz IELFWLLVJKVXLO-UHFFFAOYSA-N 1 3 393.984 3.987 20 0 GHADHO CC[N@H+](CCCC1CCN([C@@H](C)c2cnccn2)CC1)[C@@H](C)c1cnccn1 ZINC000184704226 907643419 /nfs/dbraw/zinc/64/34/19/907643419.db2.gz MDVMBJXLAVHUIW-OALUTQOASA-N 1 3 382.556 3.903 20 0 GHADHO CC[N@@H+](CCCC1CCN([C@@H](C)c2cnccn2)CC1)[C@@H](C)c1cnccn1 ZINC000184704226 907643426 /nfs/dbraw/zinc/64/34/26/907643426.db2.gz MDVMBJXLAVHUIW-OALUTQOASA-N 1 3 382.556 3.903 20 0 GHADHO CC[N@H+](CCCC1CCN([C@H](C)c2cnccn2)CC1)[C@@H](C)c1cnccn1 ZINC000184704249 907643581 /nfs/dbraw/zinc/64/35/81/907643581.db2.gz MDVMBJXLAVHUIW-RBUKOAKNSA-N 1 3 382.556 3.903 20 0 GHADHO CC[N@@H+](CCCC1CCN([C@H](C)c2cnccn2)CC1)[C@@H](C)c1cnccn1 ZINC000184704249 907643583 /nfs/dbraw/zinc/64/35/83/907643583.db2.gz MDVMBJXLAVHUIW-RBUKOAKNSA-N 1 3 382.556 3.903 20 0 GHADHO CCN1CCN(c2ccc(Nc3cccc4c3OCC[C@@H]4[NH+](C)C)cc2)CC1 ZINC001175782624 907744080 /nfs/dbraw/zinc/74/40/80/907744080.db2.gz SITGBKNWAAQQTL-QFIPXVFZSA-N 1 3 380.536 3.957 20 0 GHADHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(O)c1 ZINC000194881215 908971617 /nfs/dbraw/zinc/97/16/17/908971617.db2.gz HIMXSKALXQJGAD-SFHVURJKSA-N 1 3 384.520 3.733 20 0 GHADHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(O)c1 ZINC000194881215 908971631 /nfs/dbraw/zinc/97/16/31/908971631.db2.gz HIMXSKALXQJGAD-SFHVURJKSA-N 1 3 384.520 3.733 20 0 GHADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000635013253 909100442 /nfs/dbraw/zinc/10/04/42/909100442.db2.gz ZNZHFMZOKHAKQM-QGZVFWFLSA-N 1 3 398.572 3.899 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000268750074 909996542 /nfs/dbraw/zinc/99/65/42/909996542.db2.gz CESCWZFMWWFVMD-DNOBIOAJSA-N 1 3 388.577 3.995 20 0 GHADHO C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CC(=O)N2C ZINC000268864090 910049349 /nfs/dbraw/zinc/04/93/49/910049349.db2.gz KDDPVYMQXLTOEV-IRXDYDNUSA-N 1 3 381.520 3.558 20 0 GHADHO COC(=O)CC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001180302169 910058264 /nfs/dbraw/zinc/05/82/64/910058264.db2.gz TZUWWYOVFRYBMU-KICKQETISA-N 1 3 384.564 3.999 20 0 GHADHO c1ncn(Cc2ccc(CN[C@@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)cc2)n1 ZINC000638338473 910125918 /nfs/dbraw/zinc/12/59/18/910125918.db2.gz BMHHLEIRPGUYKX-ISKFKSNPSA-N 1 3 387.531 3.784 20 0 GHADHO c1ncn(Cc2ccc(CN[C@@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)cc2)n1 ZINC000638338473 910125925 /nfs/dbraw/zinc/12/59/25/910125925.db2.gz BMHHLEIRPGUYKX-ISKFKSNPSA-N 1 3 387.531 3.784 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC000638380251 910137570 /nfs/dbraw/zinc/13/75/70/910137570.db2.gz AAFYJMQTBCHSEC-MNEFBYGVSA-N 1 3 380.374 3.516 20 0 GHADHO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(-n2cccn2)cc1 ZINC000269099473 910139714 /nfs/dbraw/zinc/13/97/14/910139714.db2.gz SXDGOHXJKXZAAL-IBGZPJMESA-N 1 3 390.531 3.680 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccc(-n2cccn2)cc1 ZINC000269099473 910139724 /nfs/dbraw/zinc/13/97/24/910139724.db2.gz SXDGOHXJKXZAAL-IBGZPJMESA-N 1 3 390.531 3.680 20 0 GHADHO CN1Cc2c(NC(=O)[C@H]3C[NH+]4CCC3CC4)cccc2[C@H](c2ccccc2)C1 ZINC001182012568 911152536 /nfs/dbraw/zinc/15/25/36/911152536.db2.gz ZBMIWGTUOCUMJA-SFTDATJTSA-N 1 3 375.516 3.544 20 0 GHADHO CN(CCN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC001186931705 914879717 /nfs/dbraw/zinc/87/97/17/914879717.db2.gz YOKQOBGBXICREX-UHFFFAOYSA-N 1 3 379.548 3.877 20 0 GHADHO CN(Cc1cnc(CCc2ccccc2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585974 915779847 /nfs/dbraw/zinc/77/98/47/915779847.db2.gz FDNUADGTAPUCJX-OAQYLSRUSA-N 1 3 398.620 3.529 20 0 GHADHO O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000649628778 916275800 /nfs/dbraw/zinc/27/58/00/916275800.db2.gz HFHHPYBXGCNCSJ-ULQDDVLXSA-N 1 3 382.426 3.745 20 0 GHADHO O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000649628778 916275814 /nfs/dbraw/zinc/27/58/14/916275814.db2.gz HFHHPYBXGCNCSJ-ULQDDVLXSA-N 1 3 382.426 3.745 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)CCC(=O)N2C ZINC000775309834 916896128 /nfs/dbraw/zinc/89/61/28/916896128.db2.gz GIYWADXYMABCEJ-GCJKJVERSA-N 1 3 377.532 3.596 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)CCC(=O)N2C ZINC000775309834 916896139 /nfs/dbraw/zinc/89/61/39/916896139.db2.gz GIYWADXYMABCEJ-GCJKJVERSA-N 1 3 377.532 3.596 20 0 GHADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H]2CCNC(=O)CC2)CC1 ZINC000294903246 917041983 /nfs/dbraw/zinc/04/19/83/917041983.db2.gz HJWRKNSIUXEPGF-MRXNPFEDSA-N 1 3 397.485 3.518 20 0 GHADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H]2CCNC(=O)CC2)CC1 ZINC000294903246 917041995 /nfs/dbraw/zinc/04/19/95/917041995.db2.gz HJWRKNSIUXEPGF-MRXNPFEDSA-N 1 3 397.485 3.518 20 0 GHADHO COc1ccc([C@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1C[NH+]1CCCCC1 ZINC000775412262 917571376 /nfs/dbraw/zinc/57/13/76/917571376.db2.gz LURGETJTHZRAMU-PXNSSMCTSA-N 1 3 387.568 3.731 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775493449 918344760 /nfs/dbraw/zinc/34/47/60/918344760.db2.gz SOIKXHOTDNTENW-RXVVDRJESA-N 1 3 379.504 3.643 20 0 GHADHO [NH3+]CCCC[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1F ZINC000902351496 922112949 /nfs/dbraw/zinc/11/29/49/922112949.db2.gz YZNAAJVVBLIYES-FXAWDEMLSA-N 1 3 379.495 3.516 20 0 GHADHO CC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000902500721 922242234 /nfs/dbraw/zinc/24/22/34/922242234.db2.gz HAWWTZGFOCNXIY-JTAQYXEDSA-N 1 3 380.488 3.770 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000369941807 923757624 /nfs/dbraw/zinc/75/76/24/923757624.db2.gz JPKDPSVZFPLBCT-HSZRJFAPSA-N 1 3 392.547 3.560 20 0 GHADHO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C2)CC1 ZINC000677386894 924347564 /nfs/dbraw/zinc/34/75/64/924347564.db2.gz KLTPQBAZCMVMFW-DHIUTWEWSA-N 1 3 398.595 3.587 20 0 GHADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCc3cc(Br)ccc32)ccn1 ZINC000678609817 924838157 /nfs/dbraw/zinc/83/81/57/924838157.db2.gz XPVMHFVEOVGNMH-GOSISDBHSA-N 1 3 390.325 3.562 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@]3(CO)CCCN(Cc4ccccc4)C3)CC2)C1 ZINC000679042407 925007532 /nfs/dbraw/zinc/00/75/32/925007532.db2.gz BFXGGLQFGTZLGY-SDUSCBPUSA-N 1 3 399.623 3.646 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000679290816 925087862 /nfs/dbraw/zinc/08/78/62/925087862.db2.gz PJPUILWYYTYDBH-GCJKJVERSA-N 1 3 377.532 3.579 20 0 GHADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC(=O)N1CCc2sccc2C1 ZINC000411546517 926498388 /nfs/dbraw/zinc/49/83/88/926498388.db2.gz ASKAQFJJHIPLFS-HKUYNNGSSA-N 1 3 377.598 3.513 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCC2)CC1 ZINC000411704923 926659434 /nfs/dbraw/zinc/65/94/34/926659434.db2.gz VGSSELXUFQGIAP-HXUWFJFHSA-N 1 3 397.485 3.737 20 0 GHADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000467338131 928973872 /nfs/dbraw/zinc/97/38/72/928973872.db2.gz IFBVYBSSFZHQCN-ZEQRLZLVSA-N 1 3 392.591 3.953 20 0 GHADHO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1C ZINC000753627680 929451988 /nfs/dbraw/zinc/45/19/88/929451988.db2.gz ZYDHDASILZNRBN-HXUWFJFHSA-N 1 3 381.564 3.910 20 0 GHADHO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000469997699 930305657 /nfs/dbraw/zinc/30/56/57/930305657.db2.gz CAWFEMMQODUCHQ-ZDUSSCGKSA-N 1 3 377.330 3.502 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000470133702 930397465 /nfs/dbraw/zinc/39/74/65/930397465.db2.gz NMQWXONFMCBNAO-JVICHNFNSA-N 1 3 392.543 3.618 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000470133702 930397467 /nfs/dbraw/zinc/39/74/67/930397467.db2.gz NMQWXONFMCBNAO-JVICHNFNSA-N 1 3 392.543 3.618 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000470133702 930397472 /nfs/dbraw/zinc/39/74/72/930397472.db2.gz NMQWXONFMCBNAO-JVICHNFNSA-N 1 3 392.543 3.618 20 0 GHADHO Cc1cccc(C)c1[C@H](C)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000546930567 930538827 /nfs/dbraw/zinc/53/88/27/930538827.db2.gz FKNPSVQZPPELPT-FQEVSTJZSA-N 1 3 379.548 3.866 20 0 GHADHO CC(C)[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000557576212 931553892 /nfs/dbraw/zinc/55/38/92/931553892.db2.gz LQXTWEGQAMROOA-FQEVSTJZSA-N 1 3 397.485 3.735 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccnn1C1CCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924963862 931596466 /nfs/dbraw/zinc/59/64/66/931596466.db2.gz MSHVPSDFABHMGD-SJORKVTESA-N 1 3 385.531 3.911 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000796797345 932071429 /nfs/dbraw/zinc/07/14/29/932071429.db2.gz UHQXIBFXIGUDAA-SBFWRKJZSA-N 1 3 380.532 3.761 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1coc2ccccc21 ZINC000926595906 932240894 /nfs/dbraw/zinc/24/08/94/932240894.db2.gz QMMPJVDMGLLYIU-KRWDZBQOSA-N 1 3 391.515 3.981 20 0 GHADHO COC(=O)COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000559081396 932420703 /nfs/dbraw/zinc/42/07/03/932420703.db2.gz WNUNYHMQNSDNAU-JOCHJYFZSA-N 1 3 396.531 3.629 20 0 GHADHO COC(=O)COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000559081396 932420705 /nfs/dbraw/zinc/42/07/05/932420705.db2.gz WNUNYHMQNSDNAU-JOCHJYFZSA-N 1 3 396.531 3.629 20 0 GHADHO CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000559326910 932601570 /nfs/dbraw/zinc/60/15/70/932601570.db2.gz ROGDQRVFAXWDEA-XPWALMASSA-N 1 3 386.580 3.710 20 0 GHADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000559326911 932601796 /nfs/dbraw/zinc/60/17/96/932601796.db2.gz ROGDQRVFAXWDEA-YTFSRNRJSA-N 1 3 386.580 3.710 20 0 GHADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177531 932899456 /nfs/dbraw/zinc/89/94/56/932899456.db2.gz UEDGWRACWRGHPO-KRWDZBQOSA-N 1 3 377.960 3.667 20 0 GHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000559890375 932924921 /nfs/dbraw/zinc/92/49/21/932924921.db2.gz FLFIGAYZKFJWGM-DNVJHFABSA-N 1 3 398.591 3.853 20 0 GHADHO OC[C@@H](CNC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1C(F)(F)F ZINC000560917996 933688367 /nfs/dbraw/zinc/68/83/67/933688367.db2.gz ITGYWYGDBPDGLA-MRXNPFEDSA-N 1 3 384.486 3.853 20 0 GHADHO OC[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccccc1C(F)(F)F ZINC000560917996 933688377 /nfs/dbraw/zinc/68/83/77/933688377.db2.gz ITGYWYGDBPDGLA-MRXNPFEDSA-N 1 3 384.486 3.853 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000561141072 933910817 /nfs/dbraw/zinc/91/08/17/933910817.db2.gz YOTRNQLIYYCIGR-QHCPKHFHSA-N 1 3 385.596 3.739 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC2)CC1 ZINC000561315089 934045703 /nfs/dbraw/zinc/04/57/03/934045703.db2.gz FRWHXWUGVWSCGC-QGZVFWFLSA-N 1 3 391.522 3.666 20 0 GHADHO CC(=O)Nc1cc(Br)ccc1CN1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001119987991 934430971 /nfs/dbraw/zinc/43/09/71/934430971.db2.gz DFPUVZBXNHSTKR-YXJHDRRASA-N 1 3 394.357 3.570 20 0 GHADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](N)CC3CCCCC3)cc2F)CC1 ZINC000828609224 935675193 /nfs/dbraw/zinc/67/51/93/935675193.db2.gz KZWUUKPOGCUBCB-FQEVSTJZSA-N 1 3 390.547 3.592 20 0 GHADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1)CN(C)C ZINC000830401938 935940795 /nfs/dbraw/zinc/94/07/95/935940795.db2.gz DNIQVESTMRDJMA-MISYRCLQSA-N 1 3 375.557 3.915 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070705 1032265300 /nfs/dbraw/zinc/26/53/00/1032265300.db2.gz ALYYWGYXAPEITG-ROUUACIJSA-N 1 3 392.613 3.693 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070705 1032265316 /nfs/dbraw/zinc/26/53/16/1032265316.db2.gz ALYYWGYXAPEITG-ROUUACIJSA-N 1 3 392.613 3.693 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001221088849 1032279294 /nfs/dbraw/zinc/27/92/94/1032279294.db2.gz YCTBIALKFGNUNM-RBUKOAKNSA-N 1 3 390.597 3.591 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001221088849 1032279306 /nfs/dbraw/zinc/27/93/06/1032279306.db2.gz YCTBIALKFGNUNM-RBUKOAKNSA-N 1 3 390.597 3.591 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H]1COCc2ccccc21 ZINC001227160931 1032300087 /nfs/dbraw/zinc/30/00/87/1032300087.db2.gz OVURFBHTQHTBMZ-HSZRJFAPSA-N 1 3 397.563 3.522 20 0 GHADHO C[C@H](COc1ccccc1)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160874 1032300346 /nfs/dbraw/zinc/30/03/46/1032300346.db2.gz NZMAAXYKDKMDQS-LJQANCHMSA-N 1 3 399.579 3.718 20 0 GHADHO N[C@@H](CCCc1ccccc1)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221204585 1032329345 /nfs/dbraw/zinc/32/93/45/1032329345.db2.gz KRMYXKUEFVDKPZ-XZOQPEGZSA-N 1 3 397.538 3.723 20 0 GHADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001221445414 1032419157 /nfs/dbraw/zinc/41/91/57/1032419157.db2.gz HPKBAPNCTKUUKY-UNMCSNQZSA-N 1 3 388.600 3.519 20 0 GHADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001221445414 1032419164 /nfs/dbraw/zinc/41/91/64/1032419164.db2.gz HPKBAPNCTKUUKY-UNMCSNQZSA-N 1 3 388.600 3.519 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001221472546 1032429805 /nfs/dbraw/zinc/42/98/05/1032429805.db2.gz NZQQVVFHQUEGHL-NVQBRXGOSA-N 1 3 384.568 3.528 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)[NH+](C)C)cc1 ZINC001221536803 1032452739 /nfs/dbraw/zinc/45/27/39/1032452739.db2.gz CSBNMPHEEIABNB-KITAHSCOSA-N 1 3 386.584 3.504 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001204160345 1032612024 /nfs/dbraw/zinc/61/20/24/1032612024.db2.gz SVJBZWKZACXUKY-WOJBJXKFSA-N 1 3 382.470 3.886 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001204160345 1032612032 /nfs/dbraw/zinc/61/20/32/1032612032.db2.gz SVJBZWKZACXUKY-WOJBJXKFSA-N 1 3 382.470 3.886 20 0 GHADHO Cc1ccccc1-c1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000931217706 1017941628 /nfs/dbraw/zinc/94/16/28/1017941628.db2.gz WKDGDGKMAFDKSI-UHFFFAOYSA-N 1 3 391.559 3.950 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204491641 1032924154 /nfs/dbraw/zinc/92/41/54/1032924154.db2.gz IKZIAUCNYMMMEC-HSZRJFAPSA-N 1 3 392.543 3.877 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245786190 1021025585 /nfs/dbraw/zinc/02/55/85/1021025585.db2.gz ZNYYSSCNRWNHAH-NCYKPQTJSA-N 1 3 385.552 3.781 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245786190 1021025595 /nfs/dbraw/zinc/02/55/95/1021025595.db2.gz ZNYYSSCNRWNHAH-NCYKPQTJSA-N 1 3 385.552 3.781 20 0 GHADHO CN1CCN(Cc2cccc(Nc3ccc(OCC[NH+]4CCCC4)cc3)c2)CC1 ZINC001204538281 1032957290 /nfs/dbraw/zinc/95/72/90/1032957290.db2.gz ZDIKPZNCIWUEHP-UHFFFAOYSA-N 1 3 394.563 3.652 20 0 GHADHO CC(C)Cc1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC001204601836 1032989632 /nfs/dbraw/zinc/98/96/32/1032989632.db2.gz OWGKSVMRFPDXFP-UHFFFAOYSA-N 1 3 386.628 3.908 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ncccc1C(F)(F)F ZINC000678285747 1021916459 /nfs/dbraw/zinc/91/64/59/1021916459.db2.gz AIFOANBVCASRJR-UHFFFAOYSA-N 1 3 398.517 3.729 20 0 GHADHO CC(C)NC(=O)c1ccc(C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)cc1 ZINC001140614690 1022074715 /nfs/dbraw/zinc/07/47/15/1022074715.db2.gz FTQVAGNYGMXZAY-UHFFFAOYSA-N 1 3 395.547 3.906 20 0 GHADHO CCc1cccc2cc(CN3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)oc21 ZINC001204737438 1033055107 /nfs/dbraw/zinc/05/51/07/1033055107.db2.gz VGIIIORQHBUMQH-UHFFFAOYSA-N 1 3 399.579 3.911 20 0 GHADHO CCCCc1ncc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001141070337 1023422329 /nfs/dbraw/zinc/42/23/29/1023422329.db2.gz VGMRFMYOOIVTHN-BWAGFHJFSA-N 1 3 381.568 3.880 20 0 GHADHO CCCCc1ncc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001141070337 1023422335 /nfs/dbraw/zinc/42/23/35/1023422335.db2.gz VGMRFMYOOIVTHN-BWAGFHJFSA-N 1 3 381.568 3.880 20 0 GHADHO Cc1cc([C@@H]([NH3+])CC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc(Cl)n1 ZINC000831933456 1025035122 /nfs/dbraw/zinc/03/51/22/1025035122.db2.gz JBKNOTZFOLLPCU-DLBZAZTESA-N 1 3 395.334 3.506 20 0 GHADHO c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4N4CCCCC4)C[C@H]3C2)nc1 ZINC001138606365 1025093437 /nfs/dbraw/zinc/09/34/37/1025093437.db2.gz PYKFMQYXISDQOA-SZPZYZBQSA-N 1 3 376.548 3.636 20 0 GHADHO c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4N4CCCCC4)C[C@H]3C2)nc1 ZINC001138606365 1025093451 /nfs/dbraw/zinc/09/34/51/1025093451.db2.gz PYKFMQYXISDQOA-SZPZYZBQSA-N 1 3 376.548 3.636 20 0 GHADHO C[N@@H+](Cc1ccccc1N1CCC(O)CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001138761843 1025319112 /nfs/dbraw/zinc/31/91/12/1025319112.db2.gz AJBGXUYVQXRZLJ-QFIPXVFZSA-N 1 3 393.575 3.602 20 0 GHADHO C[N@H+](Cc1ccccc1N1CCC(O)CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001138761843 1025319162 /nfs/dbraw/zinc/31/91/62/1025319162.db2.gz AJBGXUYVQXRZLJ-QFIPXVFZSA-N 1 3 393.575 3.602 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2C1 ZINC001461037925 1069352699 /nfs/dbraw/zinc/35/26/99/1069352699.db2.gz CRPMXUDJUVSILL-OAHLLOKOSA-N 1 3 391.581 3.615 20 0 GHADHO CC[N@@H+]1CCCN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CC1 ZINC001139515778 1026373069 /nfs/dbraw/zinc/37/30/69/1026373069.db2.gz YJNBOZMTJDOECZ-UHFFFAOYSA-N 1 3 392.591 3.536 20 0 GHADHO CC[N@H+]1CCCN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CC1 ZINC001139515778 1026373081 /nfs/dbraw/zinc/37/30/81/1026373081.db2.gz YJNBOZMTJDOECZ-UHFFFAOYSA-N 1 3 392.591 3.536 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccncc1Cl)CC2 ZINC001139848244 1026666574 /nfs/dbraw/zinc/66/65/74/1026666574.db2.gz DXZWULSMUCADQK-FQEVSTJZSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccncc1Cl)CC2 ZINC001139848244 1026666582 /nfs/dbraw/zinc/66/65/82/1026666582.db2.gz DXZWULSMUCADQK-FQEVSTJZSA-N 1 3 385.939 3.991 20 0 GHADHO c1nc2cc(NCC3CN(Cc4ccccc4)C3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001165455468 1026731060 /nfs/dbraw/zinc/73/10/60/1026731060.db2.gz WYYYQDFYVDWCIA-QFIPXVFZSA-N 1 3 389.547 3.895 20 0 GHADHO c1nc2cc(NCC3CN(Cc4ccccc4)C3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001165455467 1026731327 /nfs/dbraw/zinc/73/13/27/1026731327.db2.gz WYYYQDFYVDWCIA-JOCHJYFZSA-N 1 3 389.547 3.895 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccccc1F)CC2 ZINC001203347858 1027286076 /nfs/dbraw/zinc/28/60/76/1027286076.db2.gz HPOYFXFWAIQCPV-NRFANRHFSA-N 1 3 383.511 3.724 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccccc1F)CC2 ZINC001203347858 1027286088 /nfs/dbraw/zinc/28/60/88/1027286088.db2.gz HPOYFXFWAIQCPV-NRFANRHFSA-N 1 3 383.511 3.724 20 0 GHADHO OC1(C[NH2+]Cc2ccccc2N2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000840970296 1028004930 /nfs/dbraw/zinc/00/49/30/1028004930.db2.gz SYRVWJDWKAKYMD-UHFFFAOYSA-N 1 3 393.575 3.794 20 0 GHADHO CCc1cnccc1[C@H](C)NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001461377717 1069524967 /nfs/dbraw/zinc/52/49/67/1069524967.db2.gz OLTLKWHIVGVDNJ-ZDUSSCGKSA-N 1 3 377.435 3.878 20 0 GHADHO c1cn(-c2ccccc2)nc1CNCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001461397342 1069532379 /nfs/dbraw/zinc/53/23/79/1069532379.db2.gz DPTMVWUARXGTLZ-UHFFFAOYSA-N 1 3 390.531 3.679 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671831 1029475616 /nfs/dbraw/zinc/47/56/16/1029475616.db2.gz ZHCOOWYAACHIRW-DENIHFKCSA-N 1 3 396.531 3.524 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671831 1029475624 /nfs/dbraw/zinc/47/56/24/1029475624.db2.gz ZHCOOWYAACHIRW-DENIHFKCSA-N 1 3 396.531 3.524 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc3nccn3c1)CC2 ZINC001143020883 1029787998 /nfs/dbraw/zinc/78/79/98/1029787998.db2.gz FFHPUIZFWIRFFS-JOCHJYFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc3nccn3c1)CC2 ZINC001143020883 1029788004 /nfs/dbraw/zinc/78/80/04/1029788004.db2.gz FFHPUIZFWIRFFS-JOCHJYFZSA-N 1 3 390.531 3.590 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3n[nH]cc31)CC2 ZINC001143090442 1029838562 /nfs/dbraw/zinc/83/85/62/1029838562.db2.gz VSESVRWLTDZAPG-NRFANRHFSA-N 1 3 390.531 3.818 20 0 GHADHO Cc1ccc(-c2ccc(C[NH2+]CC3(N4CCOCC4)CCN(C)CC3)s2)cc1 ZINC001461584036 1069622867 /nfs/dbraw/zinc/62/28/67/1069622867.db2.gz NLTZMFUYKYPOJS-UHFFFAOYSA-N 1 3 399.604 3.610 20 0 GHADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001222009466 1029929122 /nfs/dbraw/zinc/92/91/22/1029929122.db2.gz ILQIMXALSCXPMB-XZOQPEGZSA-N 1 3 398.595 3.920 20 0 GHADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001222009466 1029929124 /nfs/dbraw/zinc/92/91/24/1029929124.db2.gz ILQIMXALSCXPMB-XZOQPEGZSA-N 1 3 398.595 3.920 20 0 GHADHO COc1ccccc1Oc1cccc(CN2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222414319 1030115912 /nfs/dbraw/zinc/11/59/12/1030115912.db2.gz KARGKEMUOLBNPZ-UHFFFAOYSA-N 1 3 382.504 3.690 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)N2Cc2cccc3c2NCC3)cc1 ZINC001222595495 1030222081 /nfs/dbraw/zinc/22/20/81/1030222081.db2.gz BJMGWHTUHCZGQS-HSZRJFAPSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@@H+]2Cc2cccc3c2NCC3)cc1 ZINC001222595495 1030222099 /nfs/dbraw/zinc/22/20/99/1030222099.db2.gz BJMGWHTUHCZGQS-HSZRJFAPSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@H+]2Cc2cccc3c2NCC3)cc1 ZINC001222595495 1030222115 /nfs/dbraw/zinc/22/21/15/1030222115.db2.gz BJMGWHTUHCZGQS-HSZRJFAPSA-N 1 3 391.559 3.958 20 0 GHADHO Clc1ccc(-c2ccc(C[N@@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)cc2)nn1 ZINC001222602638 1030228739 /nfs/dbraw/zinc/22/87/39/1030228739.db2.gz VYRUEDAXRDHWLO-HXUWFJFHSA-N 1 3 390.918 3.986 20 0 GHADHO Clc1ccc(-c2ccc(C[N@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)cc2)nn1 ZINC001222602638 1030228751 /nfs/dbraw/zinc/22/87/51/1030228751.db2.gz VYRUEDAXRDHWLO-HXUWFJFHSA-N 1 3 390.918 3.986 20 0 GHADHO FC(F)(F)Oc1ccc(Br)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222630089 1030250603 /nfs/dbraw/zinc/25/06/03/1030250603.db2.gz YMGKKUILUCETRU-TXEJJXNPSA-N 1 3 393.247 3.779 20 0 GHADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001218943187 1031168620 /nfs/dbraw/zinc/16/86/20/1031168620.db2.gz XMTFURHRCYMRLK-KRWDZBQOSA-N 1 3 381.398 3.893 20 0 GHADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001220162123 1031809989 /nfs/dbraw/zinc/80/99/89/1031809989.db2.gz HRNGPYPHBYTGKK-UZKOGDIHSA-N 1 3 389.971 3.591 20 0 GHADHO CCN(C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC001229619346 1033596885 /nfs/dbraw/zinc/59/68/85/1033596885.db2.gz FQJTUAYCQHOEDL-YADHBBJMSA-N 1 3 388.600 3.614 20 0 GHADHO CCN(C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC001229619346 1033596892 /nfs/dbraw/zinc/59/68/92/1033596892.db2.gz FQJTUAYCQHOEDL-YADHBBJMSA-N 1 3 388.600 3.614 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206212494 1033766696 /nfs/dbraw/zinc/76/66/96/1033766696.db2.gz RUOVOGAZPITASJ-RTBURBONSA-N 1 3 376.447 3.771 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206212494 1033766715 /nfs/dbraw/zinc/76/67/15/1033766715.db2.gz RUOVOGAZPITASJ-RTBURBONSA-N 1 3 376.447 3.771 20 0 GHADHO C[NH+](C)CC(C)(C)CN1CCC2(C[C@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC001207280793 1034235802 /nfs/dbraw/zinc/23/58/02/1034235802.db2.gz WCPNHNKZETUPJJ-IBGZPJMESA-N 1 3 397.607 3.764 20 0 GHADHO Fc1ccc(CN2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001207286051 1034237483 /nfs/dbraw/zinc/23/74/83/1034237483.db2.gz CTCHKWZHGXEERX-UHFFFAOYSA-N 1 3 381.539 3.856 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H]6CC[N@H+](C)C6)cc54)O[C@H](CN3C1)C2 ZINC001231317079 1034513591 /nfs/dbraw/zinc/51/35/91/1034513591.db2.gz JPPKICPSJZQYPL-ALQCLRNSSA-N 1 3 393.531 3.632 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H]6CC[N@@H+](C)C6)cc54)O[C@H](CN3C1)C2 ZINC001231317079 1034513602 /nfs/dbraw/zinc/51/36/02/1034513602.db2.gz JPPKICPSJZQYPL-ALQCLRNSSA-N 1 3 393.531 3.632 20 0 GHADHO COc1cc(CN2CCC(C3CC[NH+](C)CC3)CC2)ccc1OC(=O)C(C)C ZINC001231528443 1034682104 /nfs/dbraw/zinc/68/21/04/1034682104.db2.gz HFVZUSXNWWPTJP-UHFFFAOYSA-N 1 3 388.552 3.810 20 0 GHADHO Fc1c(CN2CCCCC2)cccc1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001159636974 1034698780 /nfs/dbraw/zinc/69/87/80/1034698780.db2.gz HDJNRPGPIWYVDQ-UHFFFAOYSA-N 1 3 382.527 3.960 20 0 GHADHO CCN1CCN(c2ccc(N(CC3CC[NH2+]CC3)c3ccccc3N)cc2)CC1 ZINC001159894407 1034777910 /nfs/dbraw/zinc/77/79/10/1034777910.db2.gz AAWMFYYHNOZJCQ-UHFFFAOYSA-N 1 3 393.579 3.548 20 0 GHADHO CCN(CC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578505 1034938702 /nfs/dbraw/zinc/93/87/02/1034938702.db2.gz BEGGNINENPGZTF-FQEVSTJZSA-N 1 3 375.557 3.697 20 0 GHADHO CCN(CC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578505 1034938706 /nfs/dbraw/zinc/93/87/06/1034938706.db2.gz BEGGNINENPGZTF-FQEVSTJZSA-N 1 3 375.557 3.697 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001231971151 1035017066 /nfs/dbraw/zinc/01/70/66/1035017066.db2.gz OYLIRWHEYGRVIR-QFIPXVFZSA-N 1 3 390.531 3.818 20 0 GHADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160680804 1035033242 /nfs/dbraw/zinc/03/32/42/1035033242.db2.gz VTXIXFXWFXBMSS-TUACAJSNSA-N 1 3 391.559 3.678 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001232095103 1035091985 /nfs/dbraw/zinc/09/19/85/1035091985.db2.gz VXZPDBGSDOXHTI-LJQANCHMSA-N 1 3 396.560 3.880 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001232095103 1035091990 /nfs/dbraw/zinc/09/19/90/1035091990.db2.gz VXZPDBGSDOXHTI-LJQANCHMSA-N 1 3 396.560 3.880 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208934044 1035098289 /nfs/dbraw/zinc/09/82/89/1035098289.db2.gz XUVMGPIBPOAHMD-BHDDXSALSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208934044 1035098296 /nfs/dbraw/zinc/09/82/96/1035098296.db2.gz XUVMGPIBPOAHMD-BHDDXSALSA-N 1 3 399.579 3.840 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@H](CN(Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937201 1035104825 /nfs/dbraw/zinc/10/48/25/1035104825.db2.gz RNJNVIOXIOYPLX-QHCPKHFHSA-N 1 3 379.548 3.975 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@H](CN(Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937201 1035104827 /nfs/dbraw/zinc/10/48/27/1035104827.db2.gz RNJNVIOXIOYPLX-QHCPKHFHSA-N 1 3 379.548 3.975 20 0 GHADHO CC(C)N(CCNC(=O)OC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951257 1035122366 /nfs/dbraw/zinc/12/23/66/1035122366.db2.gz ATARSAIWQYASIT-FQEVSTJZSA-N 1 3 375.557 3.744 20 0 GHADHO CC(C)N(CCNC(=O)OC(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951257 1035122371 /nfs/dbraw/zinc/12/23/71/1035122371.db2.gz ATARSAIWQYASIT-FQEVSTJZSA-N 1 3 375.557 3.744 20 0 GHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953514 1035125649 /nfs/dbraw/zinc/12/56/49/1035125649.db2.gz QMWOOOGCXPFWDT-RTWAWAEBSA-N 1 3 387.568 3.840 20 0 GHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953514 1035125652 /nfs/dbraw/zinc/12/56/52/1035125652.db2.gz QMWOOOGCXPFWDT-RTWAWAEBSA-N 1 3 387.568 3.840 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232149075 1035127620 /nfs/dbraw/zinc/12/76/20/1035127620.db2.gz TUBGDXFXMSXKAB-GOSISDBHSA-N 1 3 391.531 3.576 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232149075 1035127623 /nfs/dbraw/zinc/12/76/23/1035127623.db2.gz TUBGDXFXMSXKAB-GOSISDBHSA-N 1 3 391.531 3.576 20 0 GHADHO C[C@@H]1CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958536 1035129178 /nfs/dbraw/zinc/12/91/78/1035129178.db2.gz PSYWAXLSMNJOBX-NRSPTQNISA-N 1 3 387.568 3.744 20 0 GHADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958536 1035129188 /nfs/dbraw/zinc/12/91/88/1035129188.db2.gz PSYWAXLSMNJOBX-NRSPTQNISA-N 1 3 387.568 3.744 20 0 GHADHO c1ccc(CN2CC[C@H](C[N@@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001208960163 1035131815 /nfs/dbraw/zinc/13/18/15/1035131815.db2.gz USRRMYFILXTILA-GVAUOCQISA-N 1 3 375.560 3.715 20 0 GHADHO c1ccc(CN2CC[C@H](C[N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001208960163 1035131820 /nfs/dbraw/zinc/13/18/20/1035131820.db2.gz USRRMYFILXTILA-GVAUOCQISA-N 1 3 375.560 3.715 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](Nc3ncc4c(n3)CCNC4)[C@@H](c3ccccc3)C2)cc1 ZINC001161458568 1035235622 /nfs/dbraw/zinc/23/56/22/1035235622.db2.gz VHSBONQOSMVTIV-VWNXMTODSA-N 1 3 399.542 3.593 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](Nc3ncc4c(n3)CCNC4)[C@@H](c3ccccc3)C2)cc1 ZINC001161458568 1035235627 /nfs/dbraw/zinc/23/56/27/1035235627.db2.gz VHSBONQOSMVTIV-VWNXMTODSA-N 1 3 399.542 3.593 20 0 GHADHO CCN([C@@H]1CCOC1)C1CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209359096 1035252462 /nfs/dbraw/zinc/25/24/62/1035252462.db2.gz RZKVUIFSQOTCKI-HXUWFJFHSA-N 1 3 397.604 3.647 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001246261428 1037261898 /nfs/dbraw/zinc/26/18/98/1037261898.db2.gz PRYGLMHQZHKAFP-NNWRFLSQSA-N 1 3 389.584 3.546 20 0 GHADHO CCCC[C@@H]1C[C@@H](N[C@@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246266043 1037265062 /nfs/dbraw/zinc/26/50/62/1037265062.db2.gz FUFVUGCZEDRRKG-FGTMMUONSA-N 1 3 398.332 3.659 20 0 GHADHO COc1ccc(CC2([NH2+]C3CCN(c4ccc(F)cc4)CC3)CCNCC2)cc1 ZINC001246377842 1037333851 /nfs/dbraw/zinc/33/38/51/1037333851.db2.gz MKZICBKFAFJXFW-UHFFFAOYSA-N 1 3 397.538 3.758 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246381020 1037340615 /nfs/dbraw/zinc/34/06/15/1037340615.db2.gz MWZZKWHMLWNLBX-WMZOPIPTSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)C1CCC([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)CC1 ZINC001246391764 1037351891 /nfs/dbraw/zinc/35/18/91/1037351891.db2.gz ONQONYSSWMAXBF-UHFFFAOYSA-N 1 3 378.944 3.716 20 0 GHADHO COc1ccccc1CC1(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246424655 1037382355 /nfs/dbraw/zinc/38/23/55/1037382355.db2.gz HEILAZUWJGJWRT-REWPJTCUSA-N 1 3 393.575 3.613 20 0 GHADHO COc1ccccc1CC1([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CCNCC1 ZINC001246425531 1037382873 /nfs/dbraw/zinc/38/28/73/1037382873.db2.gz LPQHQCJOZHGAKJ-LJQANCHMSA-N 1 3 386.486 3.785 20 0 GHADHO O=C1CCCCN1c1ccc(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246435239 1037397097 /nfs/dbraw/zinc/39/70/97/1037397097.db2.gz PABFSRLMFMAIOQ-VXKWHMMOSA-N 1 3 377.532 3.656 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+]3CCC[C@@]34CCCNC4)CC[C@H]2C1 ZINC001246610651 1037502301 /nfs/dbraw/zinc/50/23/01/1037502301.db2.gz QXFYDUPLVIRBIR-ZPFZUWPUSA-N 1 3 381.564 3.535 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCC[C@@]34CCCNC4)CC[C@H]2C1 ZINC001246610651 1037502311 /nfs/dbraw/zinc/50/23/11/1037502311.db2.gz QXFYDUPLVIRBIR-ZPFZUWPUSA-N 1 3 381.564 3.535 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)cc1 ZINC001246686614 1037547702 /nfs/dbraw/zinc/54/77/02/1037547702.db2.gz SACZNRPHLPBCMP-BFMBIBTESA-N 1 3 392.543 3.657 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)cc1 ZINC001246686614 1037547706 /nfs/dbraw/zinc/54/77/06/1037547706.db2.gz SACZNRPHLPBCMP-BFMBIBTESA-N 1 3 392.543 3.657 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001246686614 1037547710 /nfs/dbraw/zinc/54/77/10/1037547710.db2.gz SACZNRPHLPBCMP-BFMBIBTESA-N 1 3 392.543 3.657 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CC[C@@]3(c4ccccc4)CCNC[C@@H]3C1)CC2 ZINC001246687102 1037548230 /nfs/dbraw/zinc/54/82/30/1037548230.db2.gz VABXQFHSVSEBHY-ASBIRJLZSA-N 1 3 396.575 3.752 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@@]3(c4ccccc4)CCNC[C@@H]3C1)CC2 ZINC001246687102 1037548244 /nfs/dbraw/zinc/54/82/44/1037548244.db2.gz VABXQFHSVSEBHY-ASBIRJLZSA-N 1 3 396.575 3.752 20 0 GHADHO CC[C@@H]1C[C@H](N2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@H](CC)[NH2+]1 ZINC001246705813 1037557889 /nfs/dbraw/zinc/55/78/89/1037557889.db2.gz BCNHWSQZVACSEE-JYLXEMOASA-N 1 3 389.609 3.985 20 0 GHADHO CC[C@@H]1CC(N2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@@H](CC)[NH2+]1 ZINC001246705810 1037558326 /nfs/dbraw/zinc/55/83/26/1037558326.db2.gz BCNHWSQZVACSEE-JBYIUTFZSA-N 1 3 389.609 3.985 20 0 GHADHO CC[C@H]1[N@@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724648 1037574958 /nfs/dbraw/zinc/57/49/58/1037574958.db2.gz WDYLTUNNVKCPDV-VAWZGJIGSA-N 1 3 375.601 3.799 20 0 GHADHO CC[C@H]1[N@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724648 1037574966 /nfs/dbraw/zinc/57/49/66/1037574966.db2.gz WDYLTUNNVKCPDV-VAWZGJIGSA-N 1 3 375.601 3.799 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246725251 1037575429 /nfs/dbraw/zinc/57/54/29/1037575429.db2.gz ZOAJQJPBCLPEOE-CUYJMHBOSA-N 1 3 397.607 3.854 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CCN1 ZINC001246729148 1037577626 /nfs/dbraw/zinc/57/76/26/1037577626.db2.gz NNGXEJVJFHBIHD-GPXNEJASSA-N 1 3 383.580 3.730 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CCN1 ZINC001246729148 1037577633 /nfs/dbraw/zinc/57/76/33/1037577633.db2.gz NNGXEJVJFHBIHD-GPXNEJASSA-N 1 3 383.580 3.730 20 0 GHADHO COCCO[C@@H]1CCC2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c2ccccc21 ZINC001246739932 1037583219 /nfs/dbraw/zinc/58/32/19/1037583219.db2.gz UIQRGYMIXZELBS-QNLWVQNGSA-N 1 3 384.564 3.801 20 0 GHADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+]([C@@H]3CCN[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753318 1037593638 /nfs/dbraw/zinc/59/36/38/1037593638.db2.gz KMXRWFOOYYMHGF-BNDYYXHWSA-N 1 3 378.564 3.825 20 0 GHADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+]([C@@H]3CCN[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753318 1037593645 /nfs/dbraw/zinc/59/36/45/1037593645.db2.gz KMXRWFOOYYMHGF-BNDYYXHWSA-N 1 3 378.564 3.825 20 0 GHADHO CC(=O)N1CC2(CCN([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)c2cc(C)ccc21 ZINC001246773704 1037616020 /nfs/dbraw/zinc/61/60/20/1037616020.db2.gz GOYWBJLERLPOLP-KNQAVFIVSA-N 1 3 383.580 3.862 20 0 GHADHO Clc1ccc([C@H]2CN(C3CC[NH+](CCc4ccccc4)CC3)CCN2)cc1 ZINC001246806374 1037640799 /nfs/dbraw/zinc/64/07/99/1037640799.db2.gz BVSQMUSEOJJJCG-HSZRJFAPSA-N 1 3 383.967 3.993 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+](C)C[C@@H]2CCCNC2)CC1 ZINC001246839167 1037668880 /nfs/dbraw/zinc/66/88/80/1037668880.db2.gz BRQBNTMUWSDNMA-YLZJTPGZSA-N 1 3 378.944 3.625 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)C[C@@H]2CCCNC2)CC1 ZINC001246839167 1037668884 /nfs/dbraw/zinc/66/88/84/1037668884.db2.gz BRQBNTMUWSDNMA-YLZJTPGZSA-N 1 3 378.944 3.625 20 0 GHADHO COc1ccccc1OC1CC[NH+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246850166 1037674619 /nfs/dbraw/zinc/67/46/19/1037674619.db2.gz HMOPOSCAULPBOH-SFTDATJTSA-N 1 3 380.532 3.902 20 0 GHADHO CC1(C)C[C@H]([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936402 1037742452 /nfs/dbraw/zinc/74/24/52/1037742452.db2.gz IMMVWPFYCBJXBB-GOSISDBHSA-N 1 3 381.358 3.961 20 0 GHADHO CC1(C)C[C@H]([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936402 1037742469 /nfs/dbraw/zinc/74/24/69/1037742469.db2.gz IMMVWPFYCBJXBB-GOSISDBHSA-N 1 3 381.358 3.961 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952454 1037755992 /nfs/dbraw/zinc/75/59/92/1037755992.db2.gz SSNHPJCFGUJTQU-RXVVDRJESA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952454 1037756009 /nfs/dbraw/zinc/75/60/09/1037756009.db2.gz SSNHPJCFGUJTQU-RXVVDRJESA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953295 1037759549 /nfs/dbraw/zinc/75/95/49/1037759549.db2.gz AXDAKADJWVNFAA-QAPCUYQASA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246953295 1037759569 /nfs/dbraw/zinc/75/95/69/1037759569.db2.gz AXDAKADJWVNFAA-QAPCUYQASA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246953295 1037759589 /nfs/dbraw/zinc/75/95/89/1037759589.db2.gz AXDAKADJWVNFAA-QAPCUYQASA-N 1 3 380.479 3.641 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246998388 1037819986 /nfs/dbraw/zinc/81/99/86/1037819986.db2.gz FTZXZRCROBFFEJ-UXHICEINSA-N 1 3 391.987 3.835 20 0 GHADHO CCOc1ccnc(CN2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001232581817 1038352050 /nfs/dbraw/zinc/35/20/50/1038352050.db2.gz TVFOVDCUPAORKN-UHFFFAOYSA-N 1 3 395.547 3.656 20 0 GHADHO CCOc1ccnc(CN2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001232581817 1038352062 /nfs/dbraw/zinc/35/20/62/1038352062.db2.gz TVFOVDCUPAORKN-UHFFFAOYSA-N 1 3 395.547 3.656 20 0 GHADHO CN(C)Cc1ccc(-c2noc([C@H]3CC4(CC[NH2+]CC4)c4ccccc43)n2)cc1 ZINC001247892533 1038462199 /nfs/dbraw/zinc/46/21/99/1038462199.db2.gz UCZZJVCSYHZBRA-FQEVSTJZSA-N 1 3 388.515 3.955 20 0 GHADHO COc1cccc([C@H]2CCCN(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933168 1039272316 /nfs/dbraw/zinc/27/23/16/1039272316.db2.gz DYNRMCNVQRFMSZ-LADGPHEKSA-N 1 3 380.532 3.512 20 0 GHADHO COc1cccc([C@H]2CCCN(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933168 1039272331 /nfs/dbraw/zinc/27/23/31/1039272331.db2.gz DYNRMCNVQRFMSZ-LADGPHEKSA-N 1 3 380.532 3.512 20 0 GHADHO CC(C)O[C@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001462353575 1070193674 /nfs/dbraw/zinc/19/36/74/1070193674.db2.gz VHBLYZAVRRXCAJ-HSZRJFAPSA-N 1 3 382.548 3.769 20 0 GHADHO CCN(CC)C[C@H](O)C[NH+]1CCC2(CCc3ccc(-c4ccoc4)cc32)CC1 ZINC001253186295 1039466198 /nfs/dbraw/zinc/46/61/98/1039466198.db2.gz NHTHHAGOPKXKBS-QFIPXVFZSA-N 1 3 382.548 3.929 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001233739665 1039581145 /nfs/dbraw/zinc/58/11/45/1039581145.db2.gz JTQNGTSGLOMFDQ-WTIAFYNJSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001233739665 1039581160 /nfs/dbraw/zinc/58/11/60/1039581160.db2.gz JTQNGTSGLOMFDQ-WTIAFYNJSA-N 1 3 398.595 3.603 20 0 GHADHO CCOC(=O)c1cc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)c[nH]1 ZINC001234947719 1040450296 /nfs/dbraw/zinc/45/02/96/1040450296.db2.gz VEKIAUOHNSPRSM-HXUWFJFHSA-N 1 3 385.508 3.661 20 0 GHADHO CCOC(=O)c1cc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)c[nH]1 ZINC001234947719 1040450307 /nfs/dbraw/zinc/45/03/07/1040450307.db2.gz VEKIAUOHNSPRSM-HXUWFJFHSA-N 1 3 385.508 3.661 20 0 GHADHO CCN(C)C1CC[NH+](C2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001254879496 1040628022 /nfs/dbraw/zinc/62/80/22/1040628022.db2.gz LDYXEJFMRNUJPU-UHFFFAOYSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)C[C@@H]2C1 ZINC001254895868 1040651312 /nfs/dbraw/zinc/65/13/12/1040651312.db2.gz MYMUEXNVNVGJTJ-DZFIZOCASA-N 1 3 377.573 3.629 20 0 GHADHO Cn1nc2ccc(Br)cc2c1CN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156846 1040652133 /nfs/dbraw/zinc/65/21/33/1040652133.db2.gz RSRGCORYONDXTL-SFHVURJKSA-N 1 3 391.357 3.690 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3cc(-c4ccsc4)cs3)CC2)CC1 ZINC001235188074 1040678983 /nfs/dbraw/zinc/67/89/83/1040678983.db2.gz FKWQNNJSDKEJAL-UHFFFAOYSA-N 1 3 375.607 3.936 20 0 GHADHO [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254941064 1040680428 /nfs/dbraw/zinc/68/04/28/1040680428.db2.gz PYDWHTRRRUEOME-HZPDHXFCSA-N 1 3 380.454 3.799 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972629 1040700626 /nfs/dbraw/zinc/70/06/26/1040700626.db2.gz VHPHWYUQQSQNBU-PMXSJFBMSA-N 1 3 387.568 3.871 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972629 1040700633 /nfs/dbraw/zinc/70/06/33/1040700633.db2.gz VHPHWYUQQSQNBU-PMXSJFBMSA-N 1 3 387.568 3.871 20 0 GHADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972629 1040700647 /nfs/dbraw/zinc/70/06/47/1040700647.db2.gz VHPHWYUQQSQNBU-PMXSJFBMSA-N 1 3 387.568 3.871 20 0 GHADHO CCc1cccc(CN2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001235260590 1040741160 /nfs/dbraw/zinc/74/11/60/1040741160.db2.gz VSXMHSYXTMZZTB-QHCPKHFHSA-N 1 3 394.563 3.542 20 0 GHADHO CCc1cccc(CN2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001235260590 1040741174 /nfs/dbraw/zinc/74/11/74/1040741174.db2.gz VSXMHSYXTMZZTB-QHCPKHFHSA-N 1 3 394.563 3.542 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N2CCCN(c4cccnc4)CC2)C3)cc1 ZINC001255148898 1040862687 /nfs/dbraw/zinc/86/26/87/1040862687.db2.gz CWBBXFYZKJYNBG-ACHVPNTGSA-N 1 3 376.548 3.789 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N2CCCN(c4cccnc4)CC2)C3)cc1 ZINC001255148898 1040862694 /nfs/dbraw/zinc/86/26/94/1040862694.db2.gz CWBBXFYZKJYNBG-ACHVPNTGSA-N 1 3 376.548 3.789 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(CC3CCC3)CC1)C2 ZINC001255229605 1040918236 /nfs/dbraw/zinc/91/82/36/1040918236.db2.gz OFHNLXFAMSBTOS-REPLKXPHSA-N 1 3 377.573 3.900 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@H](NCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC001255381998 1040973358 /nfs/dbraw/zinc/97/33/58/1040973358.db2.gz AXLUSRIGSISACD-NRFANRHFSA-N 1 3 376.504 3.923 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@H](NCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC001255381998 1040973362 /nfs/dbraw/zinc/97/33/62/1040973362.db2.gz AXLUSRIGSISACD-NRFANRHFSA-N 1 3 376.504 3.923 20 0 GHADHO COCCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)cc1OC ZINC001255392613 1040980025 /nfs/dbraw/zinc/98/00/25/1040980025.db2.gz JVKSEKOTBMPJKX-JOCHJYFZSA-N 1 3 398.547 3.865 20 0 GHADHO O=C(C[C@@H]1CC2(CCN(CC[C@H]3CCCC[NH2+]3)CC2)c2ccccc21)NC1CC1 ZINC001235539466 1040980351 /nfs/dbraw/zinc/98/03/51/1040980351.db2.gz ZSBFBXSECDLQCE-WOJBJXKFSA-N 1 3 395.591 3.708 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255401030 1040988144 /nfs/dbraw/zinc/98/81/44/1040988144.db2.gz QSXZDOWHIMRNEV-NRFANRHFSA-N 1 3 387.568 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255401030 1040988145 /nfs/dbraw/zinc/98/81/45/1040988145.db2.gz QSXZDOWHIMRNEV-NRFANRHFSA-N 1 3 387.568 3.984 20 0 GHADHO Cc1cccc(N2CCCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407953 1040994708 /nfs/dbraw/zinc/99/47/08/1040994708.db2.gz GUDFWVWHRAZCEB-QHCPKHFHSA-N 1 3 378.564 3.957 20 0 GHADHO Cc1cccc(N2CCCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407953 1040994710 /nfs/dbraw/zinc/99/47/10/1040994710.db2.gz GUDFWVWHRAZCEB-QHCPKHFHSA-N 1 3 378.564 3.957 20 0 GHADHO FC(F)(F)c1nn([C@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1CCNC2 ZINC001255408773 1040995786 /nfs/dbraw/zinc/99/57/86/1040995786.db2.gz PZJORJIXJGHANT-INIZCTEOSA-N 1 3 378.442 3.775 20 0 GHADHO FC(F)(F)c1nn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CCNC2 ZINC001255408773 1040995790 /nfs/dbraw/zinc/99/57/90/1040995790.db2.gz PZJORJIXJGHANT-INIZCTEOSA-N 1 3 378.442 3.775 20 0 GHADHO CN(CCC1CC[NH2+]CC1)Cc1cc(I)ccc1Cl ZINC001235717556 1041194959 /nfs/dbraw/zinc/19/49/59/1041194959.db2.gz JWQPTCBVYSTSKI-UHFFFAOYSA-N 1 3 392.712 3.766 20 0 GHADHO FC(F)(F)c1cccnc1N1CCCN(Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001235848154 1041373709 /nfs/dbraw/zinc/37/37/09/1041373709.db2.gz QUIUMVDKPSRCLY-UHFFFAOYSA-N 1 3 396.482 3.520 20 0 GHADHO c1ccc(C(OCCN2CCCN(C[C@@H]3CCC[NH2+]3)CC2)c2ccccc2)cc1 ZINC001235867411 1041401382 /nfs/dbraw/zinc/40/13/82/1041401382.db2.gz PNTOBJLCWBFTFA-DEOSSOPVSA-N 1 3 393.575 3.552 20 0 GHADHO Brc1ccc(N2CC[NH2+]CC2)c(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC001235893710 1041416935 /nfs/dbraw/zinc/41/69/35/1041416935.db2.gz QTKSLLBZKQPDHU-QAPCUYQASA-N 1 3 378.358 3.623 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001255950636 1041432870 /nfs/dbraw/zinc/43/28/70/1041432870.db2.gz BSOPIXSRTXFSLL-GOSISDBHSA-N 1 3 377.573 3.964 20 0 GHADHO [NH3+]CC1CN([C@@H]2CCCN(Cc3ccccc3Oc3cccc(Cl)c3)C2)C1 ZINC001236081084 1041526183 /nfs/dbraw/zinc/52/61/83/1041526183.db2.gz XYOKRSKVTSKSKS-HXUWFJFHSA-N 1 3 385.939 3.987 20 0 GHADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001236082190 1041526423 /nfs/dbraw/zinc/52/64/23/1041526423.db2.gz ASJWBTVNPZQWGT-UHFFFAOYSA-N 1 3 393.453 3.835 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCC[C@H](c3ccccc3)C1)CC2 ZINC001256115742 1041543855 /nfs/dbraw/zinc/54/38/55/1041543855.db2.gz SUWXRXPXRZISEL-XZOQPEGZSA-N 1 3 393.575 3.537 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCC[C@H](c3ccccc3)C1)CC2 ZINC001256115742 1041543879 /nfs/dbraw/zinc/54/38/79/1041543879.db2.gz SUWXRXPXRZISEL-XZOQPEGZSA-N 1 3 393.575 3.537 20 0 GHADHO Clc1nc2[nH]cc(C[N@H+](C[C@H]3CCCNC3)C3CCCC3)c2c(Cl)n1 ZINC001236375928 1041687105 /nfs/dbraw/zinc/68/71/05/1041687105.db2.gz OAOHCVUUQDJFAJ-LBPRGKRZSA-N 1 3 382.339 3.961 20 0 GHADHO Clc1nc2[nH]cc(C[N@@H+](C[C@H]3CCCNC3)C3CCCC3)c2c(Cl)n1 ZINC001236375928 1041687109 /nfs/dbraw/zinc/68/71/09/1041687109.db2.gz OAOHCVUUQDJFAJ-LBPRGKRZSA-N 1 3 382.339 3.961 20 0 GHADHO Fc1ccc(CN(Cc2cnn3ccc(Cl)nc23)CC2CC[NH2+]CC2)cc1 ZINC001236387497 1041693474 /nfs/dbraw/zinc/69/34/74/1041693474.db2.gz YQFSQXCNTNXIOD-UHFFFAOYSA-N 1 3 387.890 3.524 20 0 GHADHO CC(C)(C)c1cc(CN2CC[C@@H](N3CCC([NH3+])CC3)C2)cc(C(C)(C)C)c1O ZINC001236620303 1041787059 /nfs/dbraw/zinc/78/70/59/1041787059.db2.gz BISCCKMXPBYBMK-LJQANCHMSA-N 1 3 387.612 3.985 20 0 GHADHO C[N@@H+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001236962206 1041970485 /nfs/dbraw/zinc/97/04/85/1041970485.db2.gz ZUWLAKFYXLHDFR-QFIPXVFZSA-N 1 3 397.538 3.616 20 0 GHADHO C[N@H+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001236962206 1041970490 /nfs/dbraw/zinc/97/04/90/1041970490.db2.gz ZUWLAKFYXLHDFR-QFIPXVFZSA-N 1 3 397.538 3.616 20 0 GHADHO CCOC(=O)[C@H]1CN(Cc2cccc(Oc3ccc(F)cc3)c2)CCC12C[NH2+]C2 ZINC001237430545 1042205774 /nfs/dbraw/zinc/20/57/74/1042205774.db2.gz KZFXZLKGUTUWCA-OAQYLSRUSA-N 1 3 398.478 3.593 20 0 GHADHO CN1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722766 1042342253 /nfs/dbraw/zinc/34/22/53/1042342253.db2.gz YUEXOTKKYPPZNP-QHCPKHFHSA-N 1 3 385.552 3.902 20 0 GHADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722766 1042342258 /nfs/dbraw/zinc/34/22/58/1042342258.db2.gz YUEXOTKKYPPZNP-QHCPKHFHSA-N 1 3 385.552 3.902 20 0 GHADHO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc3c(c2)C(C(C)C)=NCC3)CC1 ZINC001237887982 1042410704 /nfs/dbraw/zinc/41/07/04/1042410704.db2.gz XZSMTPKWIQBIGG-QFIPXVFZSA-N 1 3 383.580 3.763 20 0 GHADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccc3c(c2)C(C(C)C)=NCC3)CC1 ZINC001237887982 1042410706 /nfs/dbraw/zinc/41/07/06/1042410706.db2.gz XZSMTPKWIQBIGG-QFIPXVFZSA-N 1 3 383.580 3.763 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3cccc(-c4ccc(Cl)cn4)c3)CC2)CC1 ZINC001238633874 1042664844 /nfs/dbraw/zinc/66/48/44/1042664844.db2.gz BNJSLKOCSLEDPG-UHFFFAOYSA-N 1 3 398.982 3.861 20 0 GHADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)[NH+](CC)CC ZINC001291616943 1043360785 /nfs/dbraw/zinc/36/07/85/1043360785.db2.gz MTCHWEBMBFEXGB-OALUTQOASA-N 1 3 390.620 3.587 20 0 GHADHO CC(C)(C)N1CCC([NH2+]CC2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001256565351 1043539187 /nfs/dbraw/zinc/53/91/87/1043539187.db2.gz FCWKAELWBHINIO-UHFFFAOYSA-N 1 3 375.532 3.530 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256564828 1043539421 /nfs/dbraw/zinc/53/94/21/1043539421.db2.gz WIONEVKKTRWAFF-HXUWFJFHSA-N 1 3 389.584 3.975 20 0 GHADHO Cc1ccc(N2C[C@@]3(CC[N@@H+](C4CCN(C(C)(C)C)CC4)C3)CC2=O)s1 ZINC001256570225 1043542302 /nfs/dbraw/zinc/54/23/02/1043542302.db2.gz BUMGYDKVCSDEIN-NRFANRHFSA-N 1 3 375.582 3.748 20 0 GHADHO Cc1ccc(N2C[C@@]3(CC[N@H+](C4CCN(C(C)(C)C)CC4)C3)CC2=O)s1 ZINC001256570225 1043542311 /nfs/dbraw/zinc/54/23/11/1043542311.db2.gz BUMGYDKVCSDEIN-NRFANRHFSA-N 1 3 375.582 3.748 20 0 GHADHO CC(=O)N1CC2(CC[NH+](C3CCN(C(C)(C)C)CC3)CC2)c2cc(C)ccc21 ZINC001256571834 1043545087 /nfs/dbraw/zinc/54/50/87/1043545087.db2.gz LOKBICQALCIJKM-UHFFFAOYSA-N 1 3 383.580 3.958 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCN(C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606168 1043570605 /nfs/dbraw/zinc/57/06/05/1043570605.db2.gz QMERAASSESMPDT-UHFFFAOYSA-N 1 3 385.552 3.594 20 0 GHADHO Clc1ccc(C2(C[NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)cc1 ZINC001256681382 1043619344 /nfs/dbraw/zinc/61/93/44/1043619344.db2.gz SKKVERXCNQHNDE-UHFFFAOYSA-N 1 3 392.971 3.621 20 0 GHADHO C[C@H](Cc1cccc(Br)c1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685034 1043620760 /nfs/dbraw/zinc/62/07/60/1043620760.db2.gz XDNZPKAFZCCHBX-VNCLNFNDSA-N 1 3 381.358 3.613 20 0 GHADHO CC(C)[NH+]1CCC(N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)CC1 ZINC001257221047 1043941179 /nfs/dbraw/zinc/94/11/79/1043941179.db2.gz ZUHOBCHKBNKBCB-HSZRJFAPSA-N 1 3 395.591 3.935 20 0 GHADHO C[C@H]1CCCCN1CCC[NH2+]C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257838986 1044213264 /nfs/dbraw/zinc/21/32/64/1044213264.db2.gz SOKUKIQYRYTMIP-GURQWTFNSA-N 1 3 379.589 3.876 20 0 GHADHO COC(=O)C1CCC(N2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC001257867836 1044230472 /nfs/dbraw/zinc/23/04/72/1044230472.db2.gz TWZYASKMTSKDLB-UHFFFAOYSA-N 1 3 378.944 3.968 20 0 GHADHO COC(=O)C1CCC(N2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC001257867836 1044230481 /nfs/dbraw/zinc/23/04/81/1044230481.db2.gz TWZYASKMTSKDLB-UHFFFAOYSA-N 1 3 378.944 3.968 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001258013389 1044337857 /nfs/dbraw/zinc/33/78/57/1044337857.db2.gz QFEUXLMHAOZMQG-JOCHJYFZSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)CN1CCC([N@H+]2CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001258013389 1044337869 /nfs/dbraw/zinc/33/78/69/1044337869.db2.gz QFEUXLMHAOZMQG-JOCHJYFZSA-N 1 3 379.589 3.972 20 0 GHADHO CCOC(=O)CC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC001258024553 1044350593 /nfs/dbraw/zinc/35/05/93/1044350593.db2.gz ZQRTXEOCOZBQCA-KICKQETISA-N 1 3 384.564 3.999 20 0 GHADHO C[C@@H](CC(C)(C)SCc1ccco1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001258315016 1044505382 /nfs/dbraw/zinc/50/53/82/1044505382.db2.gz ZRAWYHIIADGOFV-IBGZPJMESA-N 1 3 379.614 3.783 20 0 GHADHO Fc1cccc(N2CCC([NH2+]CC3CCN(Cc4ccncc4)CC3)CC2)c1 ZINC001258416078 1044548128 /nfs/dbraw/zinc/54/81/28/1044548128.db2.gz IYPUGJNQMBQUFX-UHFFFAOYSA-N 1 3 382.527 3.691 20 0 GHADHO C[C@H](CC1CC1)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258462005 1044571182 /nfs/dbraw/zinc/57/11/82/1044571182.db2.gz QWBUJZUZYPCLIO-WNOPAQSVSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H](CC1CC1)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258462005 1044571186 /nfs/dbraw/zinc/57/11/86/1044571186.db2.gz QWBUJZUZYPCLIO-WNOPAQSVSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578064 1044653179 /nfs/dbraw/zinc/65/31/79/1044653179.db2.gz MCXDPPJEXOFYIS-OFNKIYASSA-N 1 3 379.548 3.665 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578064 1044653183 /nfs/dbraw/zinc/65/31/83/1044653183.db2.gz MCXDPPJEXOFYIS-OFNKIYASSA-N 1 3 379.548 3.665 20 0 GHADHO O=C1CC[C@@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CCN1Cc1ccccc1 ZINC001258579022 1044654248 /nfs/dbraw/zinc/65/42/48/1044654248.db2.gz GRSYJHRDCXMETB-FYYLOGMGSA-N 1 3 395.591 3.978 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001295977079 1045205014 /nfs/dbraw/zinc/20/50/14/1045205014.db2.gz GXJCFABDFGJYEY-UFYCRDLUSA-N 1 3 390.620 3.585 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001295977079 1045205024 /nfs/dbraw/zinc/20/50/24/1045205024.db2.gz GXJCFABDFGJYEY-UFYCRDLUSA-N 1 3 390.620 3.585 20 0 GHADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)[C@@H](n2cncn2)C1 ZINC001261240219 1045936098 /nfs/dbraw/zinc/93/60/98/1045936098.db2.gz PTTYJFBFFXVZLW-SWUCNREESA-N 1 3 381.568 3.900 20 0 GHADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304353048 1047655907 /nfs/dbraw/zinc/65/59/07/1047655907.db2.gz VALGQQCNZNSPKD-VXNXHJTFSA-N 1 3 391.559 3.645 20 0 GHADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304353048 1047655911 /nfs/dbraw/zinc/65/59/11/1047655911.db2.gz VALGQQCNZNSPKD-VXNXHJTFSA-N 1 3 391.559 3.645 20 0 GHADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001304850948 1047791358 /nfs/dbraw/zinc/79/13/58/1047791358.db2.gz JKSMGINBKZWYFE-SFHVURJKSA-N 1 3 398.599 3.636 20 0 GHADHO CC(C)c1ccc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c(Cl)n1 ZINC001280184122 1048120631 /nfs/dbraw/zinc/12/06/31/1048120631.db2.gz IDHCZYKHFSCNQQ-NRFANRHFSA-N 1 3 378.992 3.708 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2cn(C)nc2C2CCCC2)CC1 ZINC001308597393 1050025921 /nfs/dbraw/zinc/02/59/21/1050025921.db2.gz ASGHNCSXXUBIDZ-UHFFFAOYSA-N 1 3 376.589 3.648 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cn(C)nc2C2CCCC2)CC1 ZINC001308597393 1050025925 /nfs/dbraw/zinc/02/59/25/1050025925.db2.gz ASGHNCSXXUBIDZ-UHFFFAOYSA-N 1 3 376.589 3.648 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2cnn(-c3ccccc3C)c2)CC1 ZINC001308598998 1050026761 /nfs/dbraw/zinc/02/67/61/1050026761.db2.gz OYKXTGSFKYWPCV-UHFFFAOYSA-N 1 3 384.568 3.751 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnn(-c3ccccc3C)c2)CC1 ZINC001308598998 1050026768 /nfs/dbraw/zinc/02/67/68/1050026768.db2.gz OYKXTGSFKYWPCV-UHFFFAOYSA-N 1 3 384.568 3.751 20 0 GHADHO CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC001308957491 1050217887 /nfs/dbraw/zinc/21/78/87/1050217887.db2.gz CPOLJMYLIALROE-UFYCRDLUSA-N 1 3 385.552 3.686 20 0 GHADHO CC(C)(C)OC(=O)NC1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC001308957491 1050217902 /nfs/dbraw/zinc/21/79/02/1050217902.db2.gz CPOLJMYLIALROE-UFYCRDLUSA-N 1 3 385.552 3.686 20 0 GHADHO CC(C)(C)OC(=O)NC1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC001308957491 1050217913 /nfs/dbraw/zinc/21/79/13/1050217913.db2.gz CPOLJMYLIALROE-UFYCRDLUSA-N 1 3 385.552 3.686 20 0 GHADHO CC(C)(C)CCN1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC001311343290 1052037464 /nfs/dbraw/zinc/03/74/64/1052037464.db2.gz CSWPVBKPWFWZSR-UHFFFAOYSA-N 1 3 392.632 3.939 20 0 GHADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001312815594 1052879170 /nfs/dbraw/zinc/87/91/70/1052879170.db2.gz MDJWFBJVRYJASU-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1)CC(C)C ZINC001313000363 1052930365 /nfs/dbraw/zinc/93/03/65/1052930365.db2.gz UKBVHZCMWVKQPG-HXUWFJFHSA-N 1 3 380.621 3.649 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1)CC(C)C ZINC001313000363 1052930367 /nfs/dbraw/zinc/93/03/67/1052930367.db2.gz UKBVHZCMWVKQPG-HXUWFJFHSA-N 1 3 380.621 3.649 20 0 GHADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001313023656 1052936469 /nfs/dbraw/zinc/93/64/69/1052936469.db2.gz PLNBUCGVQVFLRT-GOTSBHOMSA-N 1 3 398.595 3.747 20 0 GHADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001313023656 1052936470 /nfs/dbraw/zinc/93/64/70/1052936470.db2.gz PLNBUCGVQVFLRT-GOTSBHOMSA-N 1 3 398.595 3.747 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2CC[N@H+](CC)C(C)C)C[C@H]1C ZINC001313816238 1053243593 /nfs/dbraw/zinc/24/35/93/1053243593.db2.gz TWPKVGBJTZAQBQ-MOPGFXCFSA-N 1 3 390.620 3.585 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2CC[N@@H+](CC)C(C)C)C[C@H]1C ZINC001313816238 1053243601 /nfs/dbraw/zinc/24/36/01/1053243601.db2.gz TWPKVGBJTZAQBQ-MOPGFXCFSA-N 1 3 390.620 3.585 20 0 GHADHO Brc1cc(Br)cc(CNC[C@H]2C[NH+]3CCC2CC3)c1 ZINC001474734687 1055034053 /nfs/dbraw/zinc/03/40/53/1055034053.db2.gz CVINRMAHBYZXSN-ZDUSSCGKSA-N 1 3 388.147 3.643 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)C1 ZINC001319785122 1055466822 /nfs/dbraw/zinc/46/68/22/1055466822.db2.gz SQFWUKBAFBVGEF-OIBXWCBGSA-N 1 3 383.580 3.924 20 0 GHADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001300624417 1056705983 /nfs/dbraw/zinc/70/59/83/1056705983.db2.gz NFZWFWCRAVLRBP-ROUUACIJSA-N 1 3 379.976 3.883 20 0 GHADHO [NH2+]=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)NC1CCN(Cc2ccccc2)CC1 ZINC000849084325 1057587223 /nfs/dbraw/zinc/58/72/23/1057587223.db2.gz KWQSXNVWOJTZLA-PKTZIBPZSA-N 1 3 392.547 3.685 20 0 GHADHO O=C(NCCN1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001441350737 1058756989 /nfs/dbraw/zinc/75/69/89/1058756989.db2.gz VKWVINKPAIZZIA-XZOQPEGZSA-N 1 3 383.580 3.527 20 0 GHADHO O=C(NCCN1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001441350737 1058757001 /nfs/dbraw/zinc/75/70/01/1058757001.db2.gz VKWVINKPAIZZIA-XZOQPEGZSA-N 1 3 383.580 3.527 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001339112503 1058965114 /nfs/dbraw/zinc/96/51/14/1058965114.db2.gz SQHWMJFRHCTDEX-QFIPXVFZSA-N 1 3 386.584 3.729 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC001442596107 1058981558 /nfs/dbraw/zinc/98/15/58/1058981558.db2.gz URINLLRMVXBMET-DNQXCXABSA-N 1 3 391.559 3.770 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC001442596107 1058981567 /nfs/dbraw/zinc/98/15/67/1058981567.db2.gz URINLLRMVXBMET-DNQXCXABSA-N 1 3 391.559 3.770 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)CC1 ZINC001339175643 1058993331 /nfs/dbraw/zinc/99/33/31/1058993331.db2.gz XVOHJLUETQAYEM-QHCPKHFHSA-N 1 3 385.596 3.930 20 0 GHADHO CC(C)C[NH+]1CCC(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001452135725 1060904298 /nfs/dbraw/zinc/90/42/98/1060904298.db2.gz PVBARECNYINBMJ-QHCPKHFHSA-N 1 3 385.596 3.866 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC001459422591 1064094760 /nfs/dbraw/zinc/09/47/60/1064094760.db2.gz BLDGBRGVUGBRMD-QFIPXVFZSA-N 1 3 385.596 3.868 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC001459422591 1064094768 /nfs/dbraw/zinc/09/47/68/1064094768.db2.gz BLDGBRGVUGBRMD-QFIPXVFZSA-N 1 3 385.596 3.868 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](C)C3CCC(C)(C)CC3)cc2)CC1 ZINC001459669649 1064161424 /nfs/dbraw/zinc/16/14/24/1064161424.db2.gz KKKHIAOPGPDXMX-UHFFFAOYSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](C)C3CCC(C)(C)CC3)cc2)CC1 ZINC001459669649 1064161435 /nfs/dbraw/zinc/16/14/35/1064161435.db2.gz KKKHIAOPGPDXMX-UHFFFAOYSA-N 1 3 386.584 3.668 20 0 GHADHO CCC[NH+]1CCC(CNCc2ccc(F)cc2I)CC1 ZINC001200232845 1065686411 /nfs/dbraw/zinc/68/64/11/1065686411.db2.gz QMZPZNXTKFKDGE-UHFFFAOYSA-N 1 3 390.284 3.642 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H]3CCCN4C)cc2)C1 ZINC001467605149 1067382133 /nfs/dbraw/zinc/38/21/33/1067382133.db2.gz FEWLMIRZODRNBI-VNHKHXMHSA-N 1 3 398.595 3.543 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H]3CCCN4C)cc2)C1 ZINC001467605149 1067382143 /nfs/dbraw/zinc/38/21/43/1067382143.db2.gz FEWLMIRZODRNBI-VNHKHXMHSA-N 1 3 398.595 3.543 20 0 GHADHO CCC(CC)[C@@H](CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)[NH+]1CCCC1 ZINC001467943752 1067540131 /nfs/dbraw/zinc/54/01/31/1067540131.db2.gz SEUBMUFGORKROT-FGZHOGPDSA-N 1 3 388.600 3.798 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)CC[NH+]2CCCCC2)c2cccs2)CC1 ZINC001468008979 1067563012 /nfs/dbraw/zinc/56/30/12/1067563012.db2.gz IGMZALASVYUYOZ-IBGZPJMESA-N 1 3 392.613 3.648 20 0 GHADHO CC(C)(C)c1csc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000849101961 1067727461 /nfs/dbraw/zinc/72/74/61/1067727461.db2.gz DUAYGEOCURHVDD-UHFFFAOYSA-N 1 3 399.608 3.762 20 0 GHADHO Cc1ccc(Cl)c(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1Cl ZINC000849276807 1067784156 /nfs/dbraw/zinc/78/41/56/1067784156.db2.gz PXMKYLZYHBWYHJ-ZDUSSCGKSA-N 1 3 391.412 3.860 20 0 GHADHO Cc1ccc(Cl)c(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1Cl ZINC000849276807 1067784161 /nfs/dbraw/zinc/78/41/61/1067784161.db2.gz PXMKYLZYHBWYHJ-ZDUSSCGKSA-N 1 3 391.412 3.860 20 0 GHADHO CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001469706450 1068324940 /nfs/dbraw/zinc/32/49/40/1068324940.db2.gz CPKJWHISFOMLRC-CZTZKLFOSA-N 1 3 388.600 3.517 20 0 GHADHO CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001469706450 1068324950 /nfs/dbraw/zinc/32/49/50/1068324950.db2.gz CPKJWHISFOMLRC-CZTZKLFOSA-N 1 3 388.600 3.517 20 0 GHADHO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001469706453 1068325347 /nfs/dbraw/zinc/32/53/47/1068325347.db2.gz CPKJWHISFOMLRC-VCOUNFBDSA-N 1 3 388.600 3.517 20 0 GHADHO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001469706453 1068325364 /nfs/dbraw/zinc/32/53/64/1068325364.db2.gz CPKJWHISFOMLRC-VCOUNFBDSA-N 1 3 388.600 3.517 20 0 GHADHO CC1CC[NH+](CC[C@@H]2CCCN2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001473717747 1074105341 /nfs/dbraw/zinc/10/53/41/1074105341.db2.gz ZOPMVYNHALSZSC-LOSJGSFVSA-N 1 3 399.623 3.864 20 0 GHADHO Cc1ccc([C@H]2CC[N@@H+](CC(=O)NC[C@H](c3ccccc3)N(C)C)C2(C)C)cc1 ZINC001473750530 1074122977 /nfs/dbraw/zinc/12/29/77/1074122977.db2.gz JVJCNWFJSJRPPM-DHIUTWEWSA-N 1 3 393.575 3.982 20 0 GHADHO Cc1ccc([C@H]2CC[N@H+](CC(=O)NC[C@H](c3ccccc3)N(C)C)C2(C)C)cc1 ZINC001473750530 1074122982 /nfs/dbraw/zinc/12/29/82/1074122982.db2.gz JVJCNWFJSJRPPM-DHIUTWEWSA-N 1 3 393.575 3.982 20 0 GHADHO Cc1cccc(N(c2ccc(CN(C)C3CC3)cn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164776112 721329349 /nfs/dbraw/zinc/32/93/49/721329349.db2.gz COKWDYTYZWBGQA-VWNXMTODSA-N 1 3 392.547 3.643 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471384206 837453821 /nfs/dbraw/zinc/45/38/21/837453821.db2.gz NSOJPHGXVHSOFE-OAQYLSRUSA-N 1 3 391.559 3.558 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471384206 837453826 /nfs/dbraw/zinc/45/38/26/837453826.db2.gz NSOJPHGXVHSOFE-OAQYLSRUSA-N 1 3 391.559 3.558 20 0 GHADHO Clc1ccccc1[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCCC1 ZINC000655692337 837673000 /nfs/dbraw/zinc/67/30/00/837673000.db2.gz UNSPKGUCDZACHZ-UGKGYDQZSA-N 1 3 391.987 3.710 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](Cc4ccccc4)C3)CC2)CC1 ZINC000654747160 834506574 /nfs/dbraw/zinc/50/65/74/834506574.db2.gz XXCYNHRIKWWGGQ-JOCHJYFZSA-N 1 3 397.607 3.664 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000650707271 834554411 /nfs/dbraw/zinc/55/44/11/834554411.db2.gz BZDHDRGOTVARBC-FVJLSDCUSA-N 1 3 377.960 3.659 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)CCN1Cc1ccccc1 ZINC000089595065 834594676 /nfs/dbraw/zinc/59/46/76/834594676.db2.gz OMCIHZJMYCXVCC-GMAHTHKFSA-N 1 3 385.596 3.664 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879901 834622033 /nfs/dbraw/zinc/62/20/33/834622033.db2.gz JVWPOBMLWSPGGE-IPJJNNNSSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879901 834622037 /nfs/dbraw/zinc/62/20/37/834622037.db2.gz JVWPOBMLWSPGGE-IPJJNNNSSA-N 1 3 375.520 3.971 20 0 GHADHO CCCCOc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000650722654 834691074 /nfs/dbraw/zinc/69/10/74/834691074.db2.gz YSLMYXGLSZEKOP-QKNQBKEWSA-N 1 3 376.541 3.735 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723404 834703162 /nfs/dbraw/zinc/70/31/62/834703162.db2.gz NJPUDDDYPVSZJX-NRSPTQNISA-N 1 3 388.943 3.695 20 0 GHADHO CN(Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000510068766 834831683 /nfs/dbraw/zinc/83/16/83/834831683.db2.gz CQOSGJNDUCWMDF-RBBKRZOGSA-N 1 3 392.609 3.897 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000108965138 834946710 /nfs/dbraw/zinc/94/67/10/834946710.db2.gz WPHACARXLJMVIO-FQEVSTJZSA-N 1 3 383.561 3.911 20 0 GHADHO Cc1cc(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)c(C(C)C)cc1Cl ZINC000583866708 835174171 /nfs/dbraw/zinc/17/41/71/835174171.db2.gz DSGMDPQOMDPSKM-SFHVURJKSA-N 1 3 380.960 3.728 20 0 GHADHO O=c1[nH]c2ccccc2n1CCC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000685606102 835217971 /nfs/dbraw/zinc/21/79/71/835217971.db2.gz NJHFEXIDLBTHOP-NHCUHLMSSA-N 1 3 390.531 3.586 20 0 GHADHO O=c1[nH]c2ccccc2n1CCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000685606102 835217979 /nfs/dbraw/zinc/21/79/79/835217979.db2.gz NJHFEXIDLBTHOP-NHCUHLMSSA-N 1 3 390.531 3.586 20 0 GHADHO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000683229766 835325474 /nfs/dbraw/zinc/32/54/74/835325474.db2.gz WENLMUUAUYZIEJ-CJOZULMCSA-N 1 3 382.523 3.792 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCS2 ZINC000658142911 835452970 /nfs/dbraw/zinc/45/29/70/835452970.db2.gz ZVSDTBWWNLGLFS-GHTZIAJQSA-N 1 3 384.545 3.589 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCS2 ZINC000658142911 835452975 /nfs/dbraw/zinc/45/29/75/835452975.db2.gz ZVSDTBWWNLGLFS-GHTZIAJQSA-N 1 3 384.545 3.589 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139944 835464859 /nfs/dbraw/zinc/46/48/59/835464859.db2.gz OWVYWJXEHSXPNA-GHTZIAJQSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139944 835464864 /nfs/dbraw/zinc/46/48/64/835464864.db2.gz OWVYWJXEHSXPNA-GHTZIAJQSA-N 1 3 386.923 3.910 20 0 GHADHO COc1cc(C)c([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1OC ZINC000658167959 835481927 /nfs/dbraw/zinc/48/19/27/835481927.db2.gz UYDABHOQYHIRNW-SFHVURJKSA-N 1 3 383.536 3.970 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000512995874 844073199 /nfs/dbraw/zinc/07/31/99/844073199.db2.gz AWNQOCBDPVWCTN-INIZCTEOSA-N 1 3 388.474 3.589 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000512995874 844073205 /nfs/dbraw/zinc/07/32/05/844073205.db2.gz AWNQOCBDPVWCTN-INIZCTEOSA-N 1 3 388.474 3.589 20 0 GHADHO Cc1cc(C)n(-c2ccccc2CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000584107218 835655834 /nfs/dbraw/zinc/65/58/34/835655834.db2.gz VFXGMXTUPXPRLQ-XUZZJYLKSA-N 1 3 388.515 3.835 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274923187 835826318 /nfs/dbraw/zinc/82/63/18/835826318.db2.gz PMLFAKTVLRERLC-NZQKXSOJSA-N 1 3 391.559 3.809 20 0 GHADHO CCOc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1OC ZINC000584291871 835848268 /nfs/dbraw/zinc/84/82/68/835848268.db2.gz KZDXNIVJXVOCME-CALCHBBNSA-N 1 3 387.549 3.649 20 0 GHADHO CN1CCN(c2ccc(C[NH2+]Cc3ccc(-c4ccc(F)cc4)o3)cn2)CC1 ZINC000030661052 835946411 /nfs/dbraw/zinc/94/64/11/835946411.db2.gz KOHYDBCNMDWMAE-UHFFFAOYSA-N 1 3 380.467 3.522 20 0 GHADHO C[C@@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)N1[C@H](C)CC[C@H]1C ZINC000413753263 836250928 /nfs/dbraw/zinc/25/09/28/836250928.db2.gz DQSIJDUKTJKZGC-QRVBRYPASA-N 1 3 386.584 3.664 20 0 GHADHO CN(C)c1ncc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)n1C ZINC000414270175 836830559 /nfs/dbraw/zinc/83/05/59/836830559.db2.gz LEQBRGDPMWXFPF-UHFFFAOYSA-N 1 3 377.536 3.505 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1nccc2ccccc21 ZINC000414296964 836961701 /nfs/dbraw/zinc/96/17/01/836961701.db2.gz FXZKHJYIFZDBAN-LJQANCHMSA-N 1 3 375.516 3.913 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000414307404 837017652 /nfs/dbraw/zinc/01/76/52/837017652.db2.gz PFTRTTLKCXRPAP-KRWDZBQOSA-N 1 3 390.474 3.966 20 0 GHADHO CC[N@H+](CCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CCCCC1 ZINC000659042874 837366869 /nfs/dbraw/zinc/36/68/69/837366869.db2.gz WPEAYFLUHKCIKA-OAQYLSRUSA-N 1 3 388.556 3.514 20 0 GHADHO CC[N@@H+](CCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CCCCC1 ZINC000659042874 837366876 /nfs/dbraw/zinc/36/68/76/837366876.db2.gz WPEAYFLUHKCIKA-OAQYLSRUSA-N 1 3 388.556 3.514 20 0 GHADHO Brc1ccc(/C=C\CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655772770 837845242 /nfs/dbraw/zinc/84/52/42/837845242.db2.gz MMUZSOHMXXPQFT-PJXRAHGQSA-N 1 3 379.342 3.695 20 0 GHADHO CC(=O)Nc1cc(Br)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000893086442 837995593 /nfs/dbraw/zinc/99/55/93/837995593.db2.gz PYODEKVZJQDIKG-ALOPSCKCSA-N 1 3 380.330 3.512 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000415913025 838270202 /nfs/dbraw/zinc/27/02/02/838270202.db2.gz OHWOQXQCRGNXLU-KRWDZBQOSA-N 1 3 381.524 3.538 20 0 GHADHO CN(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000415962291 838319388 /nfs/dbraw/zinc/31/93/88/838319388.db2.gz SRCNXTDNFXGIOD-LJQANCHMSA-N 1 3 396.510 3.600 20 0 GHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(-c2ccnn2C)c1 ZINC000549401532 838642885 /nfs/dbraw/zinc/64/28/85/838642885.db2.gz LKVOKZXBEVJHOG-WOJBJXKFSA-N 1 3 396.579 3.717 20 0 GHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275748910 838665576 /nfs/dbraw/zinc/66/55/76/838665576.db2.gz ZWODKWKJFCSZPO-SFHVURJKSA-N 1 3 395.551 3.533 20 0 GHADHO C[C@H](NC[C@@H]1CC[NH2+][C@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000415107355 839215649 /nfs/dbraw/zinc/21/56/49/839215649.db2.gz OQFABBUOVSZFIK-FRRDWIJNSA-N 1 3 379.302 3.538 20 0 GHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC000513088410 844413969 /nfs/dbraw/zinc/41/39/69/844413969.db2.gz HRKWOLDAXINGCY-FQEVSTJZSA-N 1 3 397.567 3.715 20 0 GHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC000513088410 844413979 /nfs/dbraw/zinc/41/39/79/844413979.db2.gz HRKWOLDAXINGCY-FQEVSTJZSA-N 1 3 397.567 3.715 20 0 GHADHO COc1ccc(-c2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)c(OC)c1 ZINC000571450137 844422236 /nfs/dbraw/zinc/42/22/36/844422236.db2.gz QPTMTMZYQVQLGV-HNNXBMFYSA-N 1 3 387.549 3.791 20 0 GHADHO O=C(CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1F ZINC000580298157 839303569 /nfs/dbraw/zinc/30/35/69/839303569.db2.gz PBBPZOMMJDTCGV-PMACEKPBSA-N 1 3 381.495 3.608 20 0 GHADHO O=C(CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1F ZINC000580298157 839303578 /nfs/dbraw/zinc/30/35/78/839303578.db2.gz PBBPZOMMJDTCGV-PMACEKPBSA-N 1 3 381.495 3.608 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@](C)(c4ccc(C)cc4)C3)CC2)CC1 ZINC000580447219 839573749 /nfs/dbraw/zinc/57/37/49/839573749.db2.gz BQOKEQJJOZMMOM-RUZDIDTESA-N 1 3 397.607 3.681 20 0 GHADHO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)s2)cc1C ZINC000656255765 839853667 /nfs/dbraw/zinc/85/36/67/839853667.db2.gz OYHWUOKMWJUDPN-KNQAVFIVSA-N 1 3 398.620 3.885 20 0 GHADHO Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)s2)cc1C ZINC000656255765 839853679 /nfs/dbraw/zinc/85/36/79/839853679.db2.gz OYHWUOKMWJUDPN-KNQAVFIVSA-N 1 3 398.620 3.885 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549475434 841049079 /nfs/dbraw/zinc/04/90/79/841049079.db2.gz FISDXOSPAAYCOL-XLIONFOSSA-N 1 3 394.991 3.897 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549475434 841049091 /nfs/dbraw/zinc/04/90/91/841049091.db2.gz FISDXOSPAAYCOL-XLIONFOSSA-N 1 3 394.991 3.897 20 0 GHADHO O=C(CC[NH+]1CCC(NCc2ccccc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000660680412 841085505 /nfs/dbraw/zinc/08/55/05/841085505.db2.gz YEOOIJFMBPJXRY-DEOSSOPVSA-N 1 3 391.559 3.825 20 0 GHADHO CC1CC[NH+](CCCCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000549476929 841107681 /nfs/dbraw/zinc/10/76/81/841107681.db2.gz OTLWLGTZVPBBED-HXUWFJFHSA-N 1 3 394.991 3.754 20 0 GHADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000126486977 841150844 /nfs/dbraw/zinc/15/08/44/841150844.db2.gz PZBLFGRUWNDPPV-JOCHJYFZSA-N 1 3 395.551 3.662 20 0 GHADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000126486977 841150858 /nfs/dbraw/zinc/15/08/58/841150858.db2.gz PZBLFGRUWNDPPV-JOCHJYFZSA-N 1 3 395.551 3.662 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000549542429 841605740 /nfs/dbraw/zinc/60/57/40/841605740.db2.gz FXAPCDQYQIMMJY-YLJYHZDGSA-N 1 3 394.991 3.610 20 0 GHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000549542429 841605744 /nfs/dbraw/zinc/60/57/44/841605744.db2.gz FXAPCDQYQIMMJY-YLJYHZDGSA-N 1 3 394.991 3.610 20 0 GHADHO c1ncn(Cc2ccc(CN[C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)cc2)n1 ZINC000647170330 841877915 /nfs/dbraw/zinc/87/79/15/841877915.db2.gz WCFOVLQEHXUTKF-HSZRJFAPSA-N 1 3 387.531 3.613 20 0 GHADHO c1ncn(Cc2ccc(CN[C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)cc2)n1 ZINC000647170330 841877926 /nfs/dbraw/zinc/87/79/26/841877926.db2.gz WCFOVLQEHXUTKF-HSZRJFAPSA-N 1 3 387.531 3.613 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@H](C)O1 ZINC000177749763 861264425 /nfs/dbraw/zinc/26/44/25/861264425.db2.gz ALDDSANFWXGXKF-GJZGRUSLSA-N 1 3 398.473 3.571 20 0 GHADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448280 842239082 /nfs/dbraw/zinc/23/90/82/842239082.db2.gz SEKFZISHBARYFL-DNVCBOLYSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448280 842239092 /nfs/dbraw/zinc/23/90/92/842239092.db2.gz SEKFZISHBARYFL-DNVCBOLYSA-N 1 3 381.358 3.917 20 0 GHADHO CN(C)C(=O)c1cccc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471876838 843167836 /nfs/dbraw/zinc/16/78/36/843167836.db2.gz ZHBJSAJDQLQZPL-XZOQPEGZSA-N 1 3 379.548 3.561 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000662388687 843169596 /nfs/dbraw/zinc/16/95/96/843169596.db2.gz SJDJSJVZYFXUFD-FDDCHVKYSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000662388687 843169603 /nfs/dbraw/zinc/16/96/03/843169603.db2.gz SJDJSJVZYFXUFD-FDDCHVKYSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3ccc(Br)cc32)C[C@H](C)O1 ZINC000510674719 843171017 /nfs/dbraw/zinc/17/10/17/843171017.db2.gz JPXJSLRPQVPYHR-ZRGWGRIASA-N 1 3 381.358 3.915 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3ccc(Br)cc32)C[C@@H](C)O1 ZINC000510674712 843171417 /nfs/dbraw/zinc/17/14/17/843171417.db2.gz JPXJSLRPQVPYHR-CLCXKQKWSA-N 1 3 381.358 3.915 20 0 GHADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430955622 843252338 /nfs/dbraw/zinc/25/23/38/843252338.db2.gz ZQYSCCXKSLXFJS-UGSOOPFHSA-N 1 3 384.351 3.716 20 0 GHADHO COc1cc(CN2CCC3(CC[NH2+]C3)CC2)cc(OC)c1OCc1ccccc1 ZINC000430968015 843288579 /nfs/dbraw/zinc/28/85/79/843288579.db2.gz VEWDLRHLCOSDDH-UHFFFAOYSA-N 1 3 396.531 3.858 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000165298257 843357566 /nfs/dbraw/zinc/35/75/66/843357566.db2.gz IJOLCHHKJZWWAY-PZJWPPBQSA-N 1 3 393.531 3.858 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000536235463 844007280 /nfs/dbraw/zinc/00/72/80/844007280.db2.gz WYWFXOWXGSORKJ-FGZHOGPDSA-N 1 3 386.584 3.585 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000536235463 844007285 /nfs/dbraw/zinc/00/72/85/844007285.db2.gz WYWFXOWXGSORKJ-FGZHOGPDSA-N 1 3 386.584 3.585 20 0 GHADHO O=C(NCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cccs1 ZINC000512626573 844804052 /nfs/dbraw/zinc/80/40/52/844804052.db2.gz VJMWFCBEYJMCJK-PWRODBHTSA-N 1 3 397.588 3.758 20 0 GHADHO CN(CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512635142 844844283 /nfs/dbraw/zinc/84/42/83/844844283.db2.gz GCJRVEVZKZGWOR-HSALFYBXSA-N 1 3 383.502 3.761 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179265856 861514036 /nfs/dbraw/zinc/51/40/36/861514036.db2.gz HTRUJHFRBRRSMA-XZOQPEGZSA-N 1 3 394.563 3.725 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)NCc1ccccc1 ZINC000512668285 844973031 /nfs/dbraw/zinc/97/30/31/844973031.db2.gz UISQLGWLMRJEOA-KMDXXIMOSA-N 1 3 391.559 3.583 20 0 GHADHO C[C@H](C(=O)NCc1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433053674 845096340 /nfs/dbraw/zinc/09/63/40/845096340.db2.gz PZZOAJUHZWWXGJ-OAQYLSRUSA-N 1 3 391.559 3.679 20 0 GHADHO C[C@@H](NCCC(=O)NCc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519329 845543134 /nfs/dbraw/zinc/54/31/34/845543134.db2.gz RVOZFPGMOHZKTR-SJLPKXTDSA-N 1 3 377.960 3.589 20 0 GHADHO C[C@@H](NCCC(=O)NCc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519329 845543144 /nfs/dbraw/zinc/54/31/44/845543144.db2.gz RVOZFPGMOHZKTR-SJLPKXTDSA-N 1 3 377.960 3.589 20 0 GHADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433170040 845564879 /nfs/dbraw/zinc/56/48/79/845564879.db2.gz ZOUAJVFTDGVLFN-QHCPKHFHSA-N 1 3 391.559 3.804 20 0 GHADHO Cc1cc(F)ccc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000102781476 845584933 /nfs/dbraw/zinc/58/49/33/845584933.db2.gz IFTUDWJGULGISS-UHFFFAOYSA-N 1 3 386.511 3.914 20 0 GHADHO Cc1cc(F)ccc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000102781476 845584940 /nfs/dbraw/zinc/58/49/40/845584940.db2.gz IFTUDWJGULGISS-UHFFFAOYSA-N 1 3 386.511 3.914 20 0 GHADHO COc1cccc(C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C2CC2)c1 ZINC000513533425 845629491 /nfs/dbraw/zinc/62/94/91/845629491.db2.gz RIRFJWSHUBJTSK-VWLOTQADSA-N 1 3 393.575 3.554 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000582131448 846431961 /nfs/dbraw/zinc/43/19/61/846431961.db2.gz IEBSWSDEAOEOIT-ZEQRLZLVSA-N 1 3 397.607 3.977 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000502838073 846508827 /nfs/dbraw/zinc/50/88/27/846508827.db2.gz CKHWKTPHEGZZNY-KNQAVFIVSA-N 1 3 388.600 3.806 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000502838073 846508832 /nfs/dbraw/zinc/50/88/32/846508832.db2.gz CKHWKTPHEGZZNY-KNQAVFIVSA-N 1 3 388.600 3.806 20 0 GHADHO Cc1ccc(C)c(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501031823 846549261 /nfs/dbraw/zinc/54/92/61/846549261.db2.gz ZYZREIWKXYHONA-IBGZPJMESA-N 1 3 380.536 3.874 20 0 GHADHO C[C@H](C(=O)N1CCCc2ccccc21)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045906 846570523 /nfs/dbraw/zinc/57/05/23/846570523.db2.gz OIECECOADJGZFF-LJQANCHMSA-N 1 3 392.547 3.598 20 0 GHADHO CCc1ccccc1NC(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050017 846577194 /nfs/dbraw/zinc/57/71/94/846577194.db2.gz KNKRJLGKOJQCQC-GOSISDBHSA-N 1 3 380.536 3.819 20 0 GHADHO OC1(CNCc2ccccc2OC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000414554641 846603226 /nfs/dbraw/zinc/60/32/26/846603226.db2.gz VHFYXOHDKYFDOA-UHFFFAOYSA-N 1 3 394.437 3.702 20 0 GHADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501091261 846632594 /nfs/dbraw/zinc/63/25/94/846632594.db2.gz VAKDULJDTWQZKS-SFHVURJKSA-N 1 3 398.526 3.589 20 0 GHADHO CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657373946 846710739 /nfs/dbraw/zinc/71/07/39/846710739.db2.gz BGINXUUPIISSJA-UHFFFAOYSA-N 1 3 392.425 3.954 20 0 GHADHO CCN1CC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@@H](C)C1 ZINC000503031032 846732338 /nfs/dbraw/zinc/73/23/38/846732338.db2.gz IBAWYBMDQPJPBL-NHYWBVRUSA-N 1 3 392.712 3.765 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(CN(C)C)c1)Cc1ccccc1 ZINC000501236525 846765440 /nfs/dbraw/zinc/76/54/40/846765440.db2.gz SQHLQEIUTJZXRH-JOCHJYFZSA-N 1 3 382.552 3.823 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000503118317 846813548 /nfs/dbraw/zinc/81/35/48/846813548.db2.gz PATNQGORXRSRGQ-NQIIRXRSSA-N 1 3 382.552 3.718 20 0 GHADHO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000272416673 847073167 /nfs/dbraw/zinc/07/31/67/847073167.db2.gz MQDBEYWBEQVYIZ-WBDAEOGXSA-N 1 3 398.572 3.516 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2cc(C(F)(F)F)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000657415239 847083126 /nfs/dbraw/zinc/08/31/26/847083126.db2.gz GVKOURCEMPRGQG-NVXWUHKLSA-N 1 3 380.458 3.829 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2cc(C(F)(F)F)nn2C)C[N@H+]1Cc1ccccc1 ZINC000657415239 847083136 /nfs/dbraw/zinc/08/31/36/847083136.db2.gz GVKOURCEMPRGQG-NVXWUHKLSA-N 1 3 380.458 3.829 20 0 GHADHO COc1ccc([C@@H](C[NH3+])CN(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000420322859 847102299 /nfs/dbraw/zinc/10/22/99/847102299.db2.gz SOFXMRUTTSEKJD-FQEVSTJZSA-N 1 3 378.520 3.692 20 0 GHADHO NC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)C1CCCCC1 ZINC000420354192 847135103 /nfs/dbraw/zinc/13/51/03/847135103.db2.gz CLWIJEXHXHIRFQ-OAHLLOKOSA-N 1 3 388.737 3.538 20 0 GHADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@H](c1cccs1)c1ccccc1 ZINC000420378697 847147937 /nfs/dbraw/zinc/14/79/37/847147937.db2.gz BKXTXUJPXUOMTA-MZKRTTBSSA-N 1 3 397.588 3.808 20 0 GHADHO COCCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000272735214 847159173 /nfs/dbraw/zinc/15/91/73/847159173.db2.gz JLENGQLOXYOZND-WMZHIEFXSA-N 1 3 398.547 3.519 20 0 GHADHO COCCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000272735214 847159178 /nfs/dbraw/zinc/15/91/78/847159178.db2.gz JLENGQLOXYOZND-WMZHIEFXSA-N 1 3 398.547 3.519 20 0 GHADHO COCCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000272735205 847159634 /nfs/dbraw/zinc/15/96/34/847159634.db2.gz JLENGQLOXYOZND-AUSIDOKSSA-N 1 3 398.547 3.519 20 0 GHADHO COCCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000272735205 847159639 /nfs/dbraw/zinc/15/96/39/847159639.db2.gz JLENGQLOXYOZND-AUSIDOKSSA-N 1 3 398.547 3.519 20 0 GHADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503474353 847726990 /nfs/dbraw/zinc/72/69/90/847726990.db2.gz PSLJGSSUOUPAAB-PKTZIBPZSA-N 1 3 398.595 3.559 20 0 GHADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422811810 847835228 /nfs/dbraw/zinc/83/52/28/847835228.db2.gz PNRODOPTPAJDBA-GLUARIRHSA-N 1 3 385.596 3.696 20 0 GHADHO CCOc1ccc(C2(C[NH2+][C@H](C)c3ccc(CN)nc3C)CCOCC2)cc1 ZINC000422884850 847869812 /nfs/dbraw/zinc/86/98/12/847869812.db2.gz XRSIONJJRJXKKS-QGZVFWFLSA-N 1 3 383.536 3.646 20 0 GHADHO Cc1ccc([C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)o1 ZINC000422875047 847877054 /nfs/dbraw/zinc/87/70/54/847877054.db2.gz BKPAXEXDTPDRTM-ZRCGQRJVSA-N 1 3 381.520 3.570 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000422943956 847907874 /nfs/dbraw/zinc/90/78/74/847907874.db2.gz LSLHTQTZOYGRRS-GCYXNMHMSA-N 1 3 393.575 3.879 20 0 GHADHO c1ccc(COc2cccc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000423033245 847947554 /nfs/dbraw/zinc/94/75/54/847947554.db2.gz ZIFCVJUULXAWLI-KMDXXIMOSA-N 1 3 380.532 3.555 20 0 GHADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000423062294 847957956 /nfs/dbraw/zinc/95/79/56/847957956.db2.gz SVEVOQHKFXZVFF-FGTMMUONSA-N 1 3 386.433 3.623 20 0 GHADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423068743 847960729 /nfs/dbraw/zinc/96/07/29/847960729.db2.gz KWKAKXCZVOITOM-RBOXIYTFSA-N 1 3 376.850 3.732 20 0 GHADHO Clc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423073203 847964548 /nfs/dbraw/zinc/96/45/48/847964548.db2.gz QXSNINCBLHEUFH-QFHJOOASSA-N 1 3 398.378 3.709 20 0 GHADHO Fc1ccc(-c2nc(CNCC3CC[NH+](C4CCOCC4)CC3)cs2)cc1 ZINC000657536678 848126215 /nfs/dbraw/zinc/12/62/15/848126215.db2.gz NIKDVODDUPLFOO-UHFFFAOYSA-N 1 3 389.540 3.930 20 0 GHADHO COc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1OC(F)F ZINC000657611652 848324877 /nfs/dbraw/zinc/32/48/77/848324877.db2.gz BDUXAIMDHNWXQU-UHFFFAOYSA-N 1 3 391.462 3.693 20 0 GHADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657612745 848340121 /nfs/dbraw/zinc/34/01/21/848340121.db2.gz QZZYDYSEIQDQSZ-UHFFFAOYSA-N 1 3 375.520 3.782 20 0 GHADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000423553435 849978924 /nfs/dbraw/zinc/97/89/24/849978924.db2.gz GWEWPXKKHUADBM-HNNXBMFYSA-N 1 3 377.454 3.748 20 0 GHADHO COc1ccc(Cl)cc1[C@@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423565300 849981640 /nfs/dbraw/zinc/98/16/40/849981640.db2.gz LPIJQXQVXBOAPD-QGZVFWFLSA-N 1 3 387.955 3.993 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@](C)(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964810 850163961 /nfs/dbraw/zinc/16/39/61/850163961.db2.gz YEOJFUACSLFREJ-SOUXKNCUSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@](C)(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964810 850163970 /nfs/dbraw/zinc/16/39/70/850163970.db2.gz YEOJFUACSLFREJ-SOUXKNCUSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@](C)([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167964810 850163984 /nfs/dbraw/zinc/16/39/84/850163984.db2.gz YEOJFUACSLFREJ-SOUXKNCUSA-N 1 3 377.573 3.771 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccccc3F)C3CC3)CC2)CC1 ZINC000519014095 850493817 /nfs/dbraw/zinc/49/38/17/850493817.db2.gz VMCQKENZRXMRJJ-UHFFFAOYSA-N 1 3 387.543 3.513 20 0 GHADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000519251870 850814944 /nfs/dbraw/zinc/81/49/44/850814944.db2.gz ZNQSQLYMQNKJBH-UHFFFAOYSA-N 1 3 388.600 3.502 20 0 GHADHO [NH3+]C1(CNC2CCN(Cc3ccccc3Br)CC2)CCCCC1 ZINC000414842884 850961828 /nfs/dbraw/zinc/96/18/28/850961828.db2.gz NGNKMGOBLYJFKJ-UHFFFAOYSA-N 1 3 380.374 3.665 20 0 GHADHO NC1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCCC1 ZINC000414842884 850961834 /nfs/dbraw/zinc/96/18/34/850961834.db2.gz NGNKMGOBLYJFKJ-UHFFFAOYSA-N 1 3 380.374 3.665 20 0 GHADHO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000514084834 851220355 /nfs/dbraw/zinc/22/03/55/851220355.db2.gz RXARZPWIDLEOBH-IBGZPJMESA-N 1 3 375.520 3.625 20 0 GHADHO COc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167970979 851475949 /nfs/dbraw/zinc/47/59/49/851475949.db2.gz RGXKRCUPUNUZCW-SEJPIABJSA-N 1 3 384.564 3.738 20 0 GHADHO COc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167970979 851475953 /nfs/dbraw/zinc/47/59/53/851475953.db2.gz RGXKRCUPUNUZCW-SEJPIABJSA-N 1 3 384.564 3.738 20 0 GHADHO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1sccc1Br ZINC000531938373 851500972 /nfs/dbraw/zinc/50/09/72/851500972.db2.gz WYACVHSXAREFFI-CYBMUJFWSA-N 1 3 395.370 3.508 20 0 GHADHO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000488791032 851778450 /nfs/dbraw/zinc/77/84/50/851778450.db2.gz CZDSSXSUKJBGBI-BGYRXZFFSA-N 1 3 388.515 3.541 20 0 GHADHO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000488791032 851778455 /nfs/dbraw/zinc/77/84/55/851778455.db2.gz CZDSSXSUKJBGBI-BGYRXZFFSA-N 1 3 388.515 3.541 20 0 GHADHO COCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000517509632 852027030 /nfs/dbraw/zinc/02/70/30/852027030.db2.gz NVKGWLVLGPWYRV-ZRBLBEILSA-N 1 3 395.547 3.640 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)CC1 ZINC000604577576 862315388 /nfs/dbraw/zinc/31/53/88/862315388.db2.gz RHAANKPYGJXUAS-UHFFFAOYSA-N 1 3 398.595 3.688 20 0 GHADHO Cc1ccccc1C(C)(C)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000550262321 852215552 /nfs/dbraw/zinc/21/55/52/852215552.db2.gz DROMOICXWXPVAB-UHFFFAOYSA-N 1 3 379.548 3.732 20 0 GHADHO C[C@H](Nc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516268739 852366084 /nfs/dbraw/zinc/36/60/84/852366084.db2.gz QZTNJPWUUCPVKE-URXFXBBRSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@H](Nc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268739 852366090 /nfs/dbraw/zinc/36/60/90/852366090.db2.gz QZTNJPWUUCPVKE-URXFXBBRSA-N 1 3 392.591 3.757 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](CCCN)CC1CCCC1 ZINC000489762663 852591885 /nfs/dbraw/zinc/59/18/85/852591885.db2.gz BCBIPHYSOUDHGK-UHFFFAOYSA-N 1 3 397.567 3.659 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](CCCN)CC1CCCC1 ZINC000489762663 852591890 /nfs/dbraw/zinc/59/18/90/852591890.db2.gz BCBIPHYSOUDHGK-UHFFFAOYSA-N 1 3 397.567 3.659 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000516579426 852747666 /nfs/dbraw/zinc/74/76/66/852747666.db2.gz WTEPHPLWEFAVIC-SIKLNZKXSA-N 1 3 386.584 3.585 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cn1 ZINC000518131623 852894253 /nfs/dbraw/zinc/89/42/53/852894253.db2.gz GJBPHVYSGWLOCP-IFMALSPDSA-N 1 3 380.536 3.568 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc(-n2ccnn2)cc1 ZINC000507509570 852988775 /nfs/dbraw/zinc/98/87/75/852988775.db2.gz LKQPIAGGZNJJPV-INDWIESVSA-N 1 3 387.531 3.829 20 0 GHADHO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-n2ccnn2)cc1 ZINC000507509570 852988780 /nfs/dbraw/zinc/98/87/80/852988780.db2.gz LKQPIAGGZNJJPV-INDWIESVSA-N 1 3 387.531 3.829 20 0 GHADHO C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-n2ccnn2)cc1 ZINC000507509570 852988787 /nfs/dbraw/zinc/98/87/87/852988787.db2.gz LKQPIAGGZNJJPV-INDWIESVSA-N 1 3 387.531 3.829 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000490965912 853375388 /nfs/dbraw/zinc/37/53/88/853375388.db2.gz OAFWYGIRBFGDFW-NZQKXSOJSA-N 1 3 379.548 3.937 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000490965912 853375398 /nfs/dbraw/zinc/37/53/98/853375398.db2.gz OAFWYGIRBFGDFW-NZQKXSOJSA-N 1 3 379.548 3.937 20 0 GHADHO C[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000491017258 853398510 /nfs/dbraw/zinc/39/85/10/853398510.db2.gz CRSWZQHEEOBEEF-YKSBVNFPSA-N 1 3 379.548 3.937 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000491017258 853398517 /nfs/dbraw/zinc/39/85/17/853398517.db2.gz CRSWZQHEEOBEEF-YKSBVNFPSA-N 1 3 379.548 3.937 20 0 GHADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000491015990 853417411 /nfs/dbraw/zinc/41/74/11/853417411.db2.gz BDDOZWQHTKGCOC-NTKDMRAZSA-N 1 3 382.548 3.975 20 0 GHADHO C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623875274 862475877 /nfs/dbraw/zinc/47/58/77/862475877.db2.gz BYFUVHWWOCWMLM-AWEZNQCLSA-N 1 3 396.432 3.842 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000415909886 853622743 /nfs/dbraw/zinc/62/27/43/853622743.db2.gz UOKQXYRKWXUMBX-JOCHJYFZSA-N 1 3 380.536 3.924 20 0 GHADHO CC1(C)CC[C@@H](NCCC[NH+]2CCC(O)CC2)c2cc(Br)ccc21 ZINC000481912794 862509379 /nfs/dbraw/zinc/50/93/79/862509379.db2.gz BQXYLSLOFLQBAF-LJQANCHMSA-N 1 3 395.385 3.998 20 0 GHADHO CN1CCN(CC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1(C)C ZINC000441345073 854138303 /nfs/dbraw/zinc/13/83/03/854138303.db2.gz ZQEGBVINDYMIGO-UHFFFAOYSA-N 1 3 385.527 3.520 20 0 GHADHO O=C1N(c2cccc(F)c2)CC12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167993950 854395761 /nfs/dbraw/zinc/39/57/61/854395761.db2.gz UFLIUTAROLJRHL-CBQGHPETSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1N(c2cccc(F)c2)CC12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167993950 854395764 /nfs/dbraw/zinc/39/57/64/854395764.db2.gz UFLIUTAROLJRHL-CBQGHPETSA-N 1 3 397.538 3.660 20 0 GHADHO Cc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)c(OCC[NH+](C)C)c1 ZINC000133611950 862619175 /nfs/dbraw/zinc/61/91/75/862619175.db2.gz VTXKXJAGGUODOP-UHFFFAOYSA-N 1 3 381.520 3.784 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cn3ccc(Br)cc3n2)C1 ZINC000520462938 855026313 /nfs/dbraw/zinc/02/63/13/855026313.db2.gz IIGFCWNWLZUELZ-IYBDPMFKSA-N 1 3 393.373 3.945 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cn3ccc(Br)cc3n2)C1 ZINC000520462938 855026323 /nfs/dbraw/zinc/02/63/23/855026323.db2.gz IIGFCWNWLZUELZ-IYBDPMFKSA-N 1 3 393.373 3.945 20 0 GHADHO COc1ccc([C@H]2C[C@@H](N3CCC([NH3+])(c4cccc(OC)c4)CC3)CCO2)cc1 ZINC001168616940 855065625 /nfs/dbraw/zinc/06/56/25/855065625.db2.gz OHBFWJHMSHIWEZ-NZQKXSOJSA-N 1 3 396.531 3.874 20 0 GHADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000589950619 855203332 /nfs/dbraw/zinc/20/33/32/855203332.db2.gz FCACGNUWMLHQND-RBBKRZOGSA-N 1 3 387.543 3.515 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3ccc(-c4ccncc4)cc3F)CC2)CC1 ZINC000542691602 855453706 /nfs/dbraw/zinc/45/37/06/855453706.db2.gz WERVATLGTXBOMO-UHFFFAOYSA-N 1 3 396.554 3.737 20 0 GHADHO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)C1 ZINC000186441169 855511620 /nfs/dbraw/zinc/51/16/20/855511620.db2.gz DHUTUTIIMPLLDM-XLIONFOSSA-N 1 3 389.540 3.563 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107826589 855562556 /nfs/dbraw/zinc/56/25/56/855562556.db2.gz CKNPSKAHQXFLOO-MOPGFXCFSA-N 1 3 390.597 3.545 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000591541618 856098997 /nfs/dbraw/zinc/09/89/97/856098997.db2.gz AGUAHSNISDNPEC-VXKWHMMOSA-N 1 3 386.584 3.512 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000030640713 856120235 /nfs/dbraw/zinc/12/02/35/856120235.db2.gz PYUPRXCGBCZALT-UHFFFAOYSA-N 1 3 379.548 3.707 20 0 GHADHO Brc1cccc(-c2cnc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573447660 856130959 /nfs/dbraw/zinc/13/09/59/856130959.db2.gz DQWKZTNLMHLILK-JKSUJKDBSA-N 1 3 390.325 3.926 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905121680 856169007 /nfs/dbraw/zinc/16/90/07/856169007.db2.gz FDIVFHLPCVBEES-PGRDOPGGSA-N 1 3 393.531 3.723 20 0 GHADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000700809966 856196984 /nfs/dbraw/zinc/19/69/84/856196984.db2.gz XNYXLKOAWSUSDL-WCIQWLHISA-N 1 3 379.589 3.876 20 0 GHADHO C[C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000520751415 856339367 /nfs/dbraw/zinc/33/93/67/856339367.db2.gz BBRNQYTXWRPSNT-KSZLIROESA-N 1 3 391.987 3.930 20 0 GHADHO C[C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000520751415 856339377 /nfs/dbraw/zinc/33/93/77/856339377.db2.gz BBRNQYTXWRPSNT-KSZLIROESA-N 1 3 391.987 3.930 20 0 GHADHO CCOc1ccccc1NC(=O)[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000656127016 856473218 /nfs/dbraw/zinc/47/32/18/856473218.db2.gz HSDQYHYKHJPVDH-KPLVRAHFSA-N 1 3 381.520 3.695 20 0 GHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000110437516 856550576 /nfs/dbraw/zinc/55/05/76/856550576.db2.gz VLUJRCKOFKVGJT-IYBDPMFKSA-N 1 3 386.458 3.906 20 0 GHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000110437516 856550579 /nfs/dbraw/zinc/55/05/79/856550579.db2.gz VLUJRCKOFKVGJT-IYBDPMFKSA-N 1 3 386.458 3.906 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000110437516 856550582 /nfs/dbraw/zinc/55/05/82/856550582.db2.gz VLUJRCKOFKVGJT-IYBDPMFKSA-N 1 3 386.458 3.906 20 0 GHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508905498 856586880 /nfs/dbraw/zinc/58/68/80/856586880.db2.gz LKNNCSAHNSVBKU-NZQKXSOJSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485481827 856654347 /nfs/dbraw/zinc/65/43/47/856654347.db2.gz VMEQTFDTCYTVOV-NRFANRHFSA-N 1 3 383.580 3.766 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)s1 ZINC000181409462 862865963 /nfs/dbraw/zinc/86/59/63/862865963.db2.gz IXNMDXMIJKYECO-QEJZJMRPSA-N 1 3 387.387 3.929 20 0 GHADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCCn2ccnc2C)CC1 ZINC000181628693 862946513 /nfs/dbraw/zinc/94/65/13/862946513.db2.gz PHODOYGLSGCHRD-SFHVURJKSA-N 1 3 387.547 3.604 20 0 GHADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCN(CC2CCCCC2)CC1 ZINC000065446696 857798089 /nfs/dbraw/zinc/79/80/89/857798089.db2.gz RPMVGWPYBCWBMT-UHFFFAOYSA-N 1 3 398.595 3.690 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000065522796 857812838 /nfs/dbraw/zinc/81/28/38/857812838.db2.gz HVJHUGSFKITDLB-FPOVZHCZSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000065522796 857812846 /nfs/dbraw/zinc/81/28/46/857812846.db2.gz HVJHUGSFKITDLB-FPOVZHCZSA-N 1 3 386.584 3.776 20 0 GHADHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000665285579 857913750 /nfs/dbraw/zinc/91/37/50/857913750.db2.gz QOTGSOOZAKYGQC-LLVKDONJSA-N 1 3 378.369 3.696 20 0 GHADHO CCCCOc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000442892506 858213919 /nfs/dbraw/zinc/21/39/19/858213919.db2.gz VHIGOOPRFHYLKI-GOSISDBHSA-N 1 3 377.573 3.551 20 0 GHADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000443061354 858329905 /nfs/dbraw/zinc/32/99/05/858329905.db2.gz RHMSPNIOGIHLII-RDTXWAMCSA-N 1 3 384.351 3.718 20 0 GHADHO CC[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC)cc1 ZINC000181804193 863021285 /nfs/dbraw/zinc/02/12/85/863021285.db2.gz AAJVBYOCHFXLQD-HSZRJFAPSA-N 1 3 395.547 3.648 20 0 GHADHO COC1CCN(C2(C[NH2+][C@H]3CCN(Cc4ccccc4)C[C@H]3C)CCCC2)CC1 ZINC000482636017 858724595 /nfs/dbraw/zinc/72/45/95/858724595.db2.gz LCKLJDDRSMTCKL-QPPBQGQZSA-N 1 3 399.623 3.910 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1ccco1 ZINC000509616919 858812167 /nfs/dbraw/zinc/81/21/67/858812167.db2.gz YAOLFFJGUNHAPG-FMWKFLBASA-N 1 3 398.551 3.671 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccco1 ZINC000509616919 858812176 /nfs/dbraw/zinc/81/21/76/858812176.db2.gz YAOLFFJGUNHAPG-FMWKFLBASA-N 1 3 398.551 3.671 20 0 GHADHO CN1CCC[N@H+](CCCNCc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000080517246 858981359 /nfs/dbraw/zinc/98/13/59/858981359.db2.gz MJVPDWMCFGCDSF-UHFFFAOYSA-N 1 3 379.976 3.779 20 0 GHADHO CN1CCC[N@@H+](CCCNCc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000080517246 858981367 /nfs/dbraw/zinc/98/13/67/858981367.db2.gz MJVPDWMCFGCDSF-UHFFFAOYSA-N 1 3 379.976 3.779 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429686626 859005305 /nfs/dbraw/zinc/00/53/05/859005305.db2.gz OZXDARJNVROVCE-VJTSUQJLSA-N 1 3 399.623 3.864 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429686626 859005313 /nfs/dbraw/zinc/00/53/13/859005313.db2.gz OZXDARJNVROVCE-VJTSUQJLSA-N 1 3 399.623 3.864 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000522317522 859030199 /nfs/dbraw/zinc/03/01/99/859030199.db2.gz QQSWBBOWKVPTJX-HXUWFJFHSA-N 1 3 388.600 3.579 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000522317522 859030205 /nfs/dbraw/zinc/03/02/05/859030205.db2.gz QQSWBBOWKVPTJX-HXUWFJFHSA-N 1 3 388.600 3.579 20 0 GHADHO COCCOc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000902501868 859113607 /nfs/dbraw/zinc/11/36/07/859113607.db2.gz CRLPZMUWNUJGAY-AMHTUMDSSA-N 1 3 382.504 3.618 20 0 GHADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509348144 859131646 /nfs/dbraw/zinc/13/16/46/859131646.db2.gz KTTWRUHDULMXLL-AKFKNWHVSA-N 1 3 384.612 3.536 20 0 GHADHO C[NH+]1CCC(N2CCC(Nc3cc(SCc4ccccc4)ncn3)CC2)CC1 ZINC000568244064 859411778 /nfs/dbraw/zinc/41/17/78/859411778.db2.gz ZMZLWKVSRGLRNF-UHFFFAOYSA-N 1 3 397.592 3.739 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000543394043 859542587 /nfs/dbraw/zinc/54/25/87/859542587.db2.gz MZBVSGKOBMZABE-JKSUJKDBSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000543394043 859542591 /nfs/dbraw/zinc/54/25/91/859542591.db2.gz MZBVSGKOBMZABE-JKSUJKDBSA-N 1 3 381.948 3.920 20 0 GHADHO COC(=O)c1ccc(CN(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000611259325 859669405 /nfs/dbraw/zinc/66/94/05/859669405.db2.gz VLGRNAYRLSFKLJ-UHFFFAOYSA-N 1 3 382.504 3.580 20 0 GHADHO C[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(OCC[NH+](C)C)c1 ZINC000765033017 859740720 /nfs/dbraw/zinc/74/07/20/859740720.db2.gz GBKHUCUQUREZRW-IAGOWNOFSA-N 1 3 381.520 3.924 20 0 GHADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390505 859886402 /nfs/dbraw/zinc/88/64/02/859886402.db2.gz NJQNSFPUUNBERD-PRTQVNTJSA-N 1 3 399.510 3.582 20 0 GHADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390505 859886414 /nfs/dbraw/zinc/88/64/14/859886414.db2.gz NJQNSFPUUNBERD-PRTQVNTJSA-N 1 3 399.510 3.582 20 0 GHADHO C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000765372644 859937601 /nfs/dbraw/zinc/93/76/01/859937601.db2.gz SFVIWGIPGOTQGW-LJQANCHMSA-N 1 3 395.547 3.714 20 0 GHADHO CN1CCN(c2ncccc2CN[C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000158526593 859947227 /nfs/dbraw/zinc/94/72/27/859947227.db2.gz KBUPRAWKKROUAL-SFHVURJKSA-N 1 3 388.968 3.814 20 0 GHADHO CN1CCN(c2ncccc2C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000158526593 859947231 /nfs/dbraw/zinc/94/72/31/859947231.db2.gz KBUPRAWKKROUAL-SFHVURJKSA-N 1 3 388.968 3.814 20 0 GHADHO C[C@@H](CCC1CCCCC1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000115675738 860074834 /nfs/dbraw/zinc/07/48/34/860074834.db2.gz OSBKXBNLIXBTQQ-SFHVURJKSA-N 1 3 378.605 3.593 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000484717685 860285565 /nfs/dbraw/zinc/28/55/65/860285565.db2.gz YSANPOWYNJXFEK-YHYVQYDKSA-N 1 3 398.526 3.563 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000484717685 860285570 /nfs/dbraw/zinc/28/55/70/860285570.db2.gz YSANPOWYNJXFEK-YHYVQYDKSA-N 1 3 398.526 3.563 20 0 GHADHO [NH3+]Cc1ccccc1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000904657930 860535323 /nfs/dbraw/zinc/53/53/23/860535323.db2.gz BOJAMPPZGMCWEO-UHFFFAOYSA-N 1 3 386.927 3.832 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000102559568 860773486 /nfs/dbraw/zinc/77/34/86/860773486.db2.gz AUGBSYRJVOBRJO-MRXNPFEDSA-N 1 3 381.948 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000102559568 860773492 /nfs/dbraw/zinc/77/34/92/860773492.db2.gz AUGBSYRJVOBRJO-MRXNPFEDSA-N 1 3 381.948 3.777 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CN(Cc4ccccc4)CC[C@H]3CO)CC2)C1 ZINC000532232693 881585092 /nfs/dbraw/zinc/58/50/92/881585092.db2.gz YCMLPXGOMGEUCL-VQPAQMSKSA-N 1 3 399.623 3.502 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181967656 863068003 /nfs/dbraw/zinc/06/80/03/863068003.db2.gz YCGHEQPYLUCSDW-OALUTQOASA-N 1 3 382.589 3.710 20 0 GHADHO CN1CCC(NC(=S)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000063150401 864199805 /nfs/dbraw/zinc/19/98/05/864199805.db2.gz BIQGFRMTDRPFGV-UHFFFAOYSA-N 1 3 388.625 3.509 20 0 GHADHO CN1CCC(NC(=S)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000063150401 864199814 /nfs/dbraw/zinc/19/98/14/864199814.db2.gz BIQGFRMTDRPFGV-UHFFFAOYSA-N 1 3 388.625 3.509 20 0 GHADHO C[C@H](c1ccccc1F)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159331103 864482896 /nfs/dbraw/zinc/48/28/96/864482896.db2.gz NOYBMSWUKRKWTA-GOSISDBHSA-N 1 3 375.532 3.591 20 0 GHADHO CC(C)n1cc([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000163936219 864579338 /nfs/dbraw/zinc/57/93/38/864579338.db2.gz UXERDKVVMJTDAT-NRFANRHFSA-N 1 3 383.584 3.713 20 0 GHADHO Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nc(N)n1 ZINC000735490553 864826075 /nfs/dbraw/zinc/82/60/75/864826075.db2.gz UGKVWIXWYMEXFO-RHSMWYFYSA-N 1 3 379.430 3.881 20 0 GHADHO Cc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nc(N)n1 ZINC000735490553 864826094 /nfs/dbraw/zinc/82/60/94/864826094.db2.gz UGKVWIXWYMEXFO-RHSMWYFYSA-N 1 3 379.430 3.881 20 0 GHADHO C[C@H]1CC(N2CCC(N3CCCCC3=O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064194 864975186 /nfs/dbraw/zinc/97/51/86/864975186.db2.gz OWJHWZWGXCMKRM-PMACEKPBSA-N 1 3 383.580 3.905 20 0 GHADHO CC[N@H+](CCC1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1)CC1CC1 ZINC001168423984 865056891 /nfs/dbraw/zinc/05/68/91/865056891.db2.gz SWOMILXZZYXSQW-MRXNPFEDSA-N 1 3 386.449 3.769 20 0 GHADHO CC[N@@H+](CCC1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1)CC1CC1 ZINC001168423984 865056905 /nfs/dbraw/zinc/05/69/05/865056905.db2.gz SWOMILXZZYXSQW-MRXNPFEDSA-N 1 3 386.449 3.769 20 0 GHADHO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000738312774 865528860 /nfs/dbraw/zinc/52/88/60/865528860.db2.gz CBAUIOUKPSIPCV-SIKLNZKXSA-N 1 3 386.584 3.668 20 0 GHADHO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000738312774 865528867 /nfs/dbraw/zinc/52/88/67/865528867.db2.gz CBAUIOUKPSIPCV-SIKLNZKXSA-N 1 3 386.584 3.668 20 0 GHADHO CN(C)C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000555124429 865565677 /nfs/dbraw/zinc/56/56/77/865565677.db2.gz UAHQFEGLQBUUQP-HXUWFJFHSA-N 1 3 394.991 3.898 20 0 GHADHO Cn1c2ccc(CNCc3ccc(C[NH+]4CCCCC4)cc3)cc2sc1=O ZINC000192455406 865688287 /nfs/dbraw/zinc/68/82/87/865688287.db2.gz VHQHJMDIDOERBE-UHFFFAOYSA-N 1 3 381.545 3.876 20 0 GHADHO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCN(C)[C@H]3c3ccccc3)CC2)CC1 ZINC000533984865 865700875 /nfs/dbraw/zinc/70/08/75/865700875.db2.gz AKIFSAMSWDFTBQ-BBITVKMKSA-N 1 3 398.595 3.774 20 0 GHADHO CCOc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1OCC ZINC000173958087 865860280 /nfs/dbraw/zinc/86/02/80/865860280.db2.gz ZJYYAUBHHHZINC-UHFFFAOYSA-N 1 3 376.541 3.561 20 0 GHADHO CSc1c(F)cccc1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000667411665 866780526 /nfs/dbraw/zinc/78/05/26/866780526.db2.gz OSMSDRFSSVKJHR-UHFFFAOYSA-N 1 3 394.560 3.619 20 0 GHADHO CN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000857153239 882061326 /nfs/dbraw/zinc/06/13/26/882061326.db2.gz UTNCMRWHDHQOTN-DNQXCXABSA-N 1 3 391.559 3.842 20 0 GHADHO CN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000857153239 882061342 /nfs/dbraw/zinc/06/13/42/882061342.db2.gz UTNCMRWHDHQOTN-DNQXCXABSA-N 1 3 391.559 3.842 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000155777371 868098732 /nfs/dbraw/zinc/09/87/32/868098732.db2.gz RVCBULGFAYZFHH-OALUTQOASA-N 1 3 390.535 3.745 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000155777371 868098742 /nfs/dbraw/zinc/09/87/42/868098742.db2.gz RVCBULGFAYZFHH-OALUTQOASA-N 1 3 390.535 3.745 20 0 GHADHO Cc1oc2ccccc2c1CNCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000155954523 868197011 /nfs/dbraw/zinc/19/70/11/868197011.db2.gz NQZILPWCPQVETN-UHFFFAOYSA-N 1 3 391.515 3.857 20 0 GHADHO C[C@H]1[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479652234 868307804 /nfs/dbraw/zinc/30/78/04/868307804.db2.gz YBAPBHFJOBMQNT-URVUXULASA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H]1[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479652234 868307811 /nfs/dbraw/zinc/30/78/11/868307811.db2.gz YBAPBHFJOBMQNT-URVUXULASA-N 1 3 386.584 3.603 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000457467627 868309674 /nfs/dbraw/zinc/30/96/74/868309674.db2.gz CAKHELVAFVZKMW-RBUKOAKNSA-N 1 3 392.613 3.552 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000457467627 868309687 /nfs/dbraw/zinc/30/96/87/868309687.db2.gz CAKHELVAFVZKMW-RBUKOAKNSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156978399 868519661 /nfs/dbraw/zinc/51/96/61/868519661.db2.gz UAJXDLSVQIVECM-NIJIEXERSA-N 1 3 395.522 3.546 20 0 GHADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156978399 868519671 /nfs/dbraw/zinc/51/96/71/868519671.db2.gz UAJXDLSVQIVECM-NIJIEXERSA-N 1 3 395.522 3.546 20 0 GHADHO C[N@@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000920577515 882205332 /nfs/dbraw/zinc/20/53/32/882205332.db2.gz VWTCJUXFOJDWAX-DZGCQCFKSA-N 1 3 399.318 3.764 20 0 GHADHO C[N@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000920577515 882205348 /nfs/dbraw/zinc/20/53/48/882205348.db2.gz VWTCJUXFOJDWAX-DZGCQCFKSA-N 1 3 399.318 3.764 20 0 GHADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121776290 882212194 /nfs/dbraw/zinc/21/21/94/882212194.db2.gz XVHLBRRYVHTAHW-GOSISDBHSA-N 1 3 389.609 3.609 20 0 GHADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000524878510 869709580 /nfs/dbraw/zinc/70/95/80/869709580.db2.gz GRDBHOZRDYANBQ-NJDAHSKKSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000524923856 869794513 /nfs/dbraw/zinc/79/45/13/869794513.db2.gz CXRHJSSZHAJCIR-TZIWHRDSSA-N 1 3 388.600 3.659 20 0 GHADHO c1ccc(OCc2ccncc2)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000539822425 869852881 /nfs/dbraw/zinc/85/28/81/869852881.db2.gz ZPZUVLBGCSRZHE-UHFFFAOYSA-N 1 3 395.547 3.737 20 0 GHADHO CCc1ccc([C@H](CNC(=O)Nc2ccccc2CC[NH+](C)C)N(C)C)cc1 ZINC000446564020 870012372 /nfs/dbraw/zinc/01/23/72/870012372.db2.gz IRBKGGVNVOMNNR-QFIPXVFZSA-N 1 3 382.552 3.778 20 0 GHADHO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043699 870291659 /nfs/dbraw/zinc/29/16/59/870291659.db2.gz DQJMHJZNKMSSEX-UGKGYDQZSA-N 1 3 386.584 3.657 20 0 GHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000248176784 870310401 /nfs/dbraw/zinc/31/04/01/870310401.db2.gz VSPNSWCSFBDMOW-DENIHFKCSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000248176784 870310411 /nfs/dbraw/zinc/31/04/11/870310411.db2.gz VSPNSWCSFBDMOW-DENIHFKCSA-N 1 3 379.548 3.852 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000248392308 870360241 /nfs/dbraw/zinc/36/02/41/870360241.db2.gz FGDQRWGIFNNXMK-HROJSSOGSA-N 1 3 397.538 3.530 20 0 GHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248442158 870423232 /nfs/dbraw/zinc/42/32/32/870423232.db2.gz KQOKYUOKRUIDGR-FYYLOGMGSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248442158 870423238 /nfs/dbraw/zinc/42/32/38/870423238.db2.gz KQOKYUOKRUIDGR-FYYLOGMGSA-N 1 3 380.532 3.874 20 0 GHADHO C[C@H](CC[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000446822963 870467099 /nfs/dbraw/zinc/46/70/99/870467099.db2.gz ZYLJMBLCZKUOQY-HXUWFJFHSA-N 1 3 379.548 3.796 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CCS2 ZINC000248883029 870676164 /nfs/dbraw/zinc/67/61/64/870676164.db2.gz XIGVJYJKDDBMAO-SIKLNZKXSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CCS2 ZINC000248883029 870676172 /nfs/dbraw/zinc/67/61/72/870676172.db2.gz XIGVJYJKDDBMAO-SIKLNZKXSA-N 1 3 398.572 3.979 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001170438756 882463600 /nfs/dbraw/zinc/46/36/00/882463600.db2.gz USKHSXSWBZCPOC-REWPJTCUSA-N 1 3 388.552 3.559 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001170438756 882463606 /nfs/dbraw/zinc/46/36/06/882463606.db2.gz USKHSXSWBZCPOC-REWPJTCUSA-N 1 3 388.552 3.559 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463138033 870989941 /nfs/dbraw/zinc/98/99/41/870989941.db2.gz NXXBSVYOFFHDJG-NQHRYMMQSA-N 1 3 393.575 3.530 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000463138033 870989956 /nfs/dbraw/zinc/98/99/56/870989956.db2.gz NXXBSVYOFFHDJG-NQHRYMMQSA-N 1 3 393.575 3.530 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169092233 871202380 /nfs/dbraw/zinc/20/23/80/871202380.db2.gz AIEWKVJIODSNHY-OWZKRDHZSA-N 1 3 381.486 3.885 20 0 GHADHO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539148475 871431655 /nfs/dbraw/zinc/43/16/55/871431655.db2.gz OLWRBUXEKFWQMJ-BBWFWOEESA-N 1 3 382.495 3.616 20 0 GHADHO CC[NH+](CC)Cc1cccc(NC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000462031819 871514299 /nfs/dbraw/zinc/51/42/99/871514299.db2.gz LLFLKASMCOHKCC-UHFFFAOYSA-N 1 3 394.563 3.679 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC001169553409 871632133 /nfs/dbraw/zinc/63/21/33/871632133.db2.gz CXZAFNVKVHHRPO-WXFUMESZSA-N 1 3 393.575 3.797 20 0 GHADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001194359024 871636149 /nfs/dbraw/zinc/63/61/49/871636149.db2.gz RPKKEZVQKILMMB-RTBURBONSA-N 1 3 379.589 3.828 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000618492361 871678939 /nfs/dbraw/zinc/67/89/39/871678939.db2.gz IZJUWRJJBVKEDJ-IBGZPJMESA-N 1 3 379.548 3.910 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000618492361 871678949 /nfs/dbraw/zinc/67/89/49/871678949.db2.gz IZJUWRJJBVKEDJ-IBGZPJMESA-N 1 3 379.548 3.910 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000462186434 871792571 /nfs/dbraw/zinc/79/25/71/871792571.db2.gz GBTUMOQIHGQKTR-WMZHIEFXSA-N 1 3 377.532 3.533 20 0 GHADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1I ZINC000447568361 871829601 /nfs/dbraw/zinc/82/96/01/871829601.db2.gz JFPQSIHHAIVUNH-CYBMUJFWSA-N 1 3 384.305 3.816 20 0 GHADHO O=C1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1c1ccccc1 ZINC000447561241 871866001 /nfs/dbraw/zinc/86/60/01/871866001.db2.gz GZXUUHYJEZEJMO-RLBLXZPPSA-N 1 3 375.516 3.577 20 0 GHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783670 871876870 /nfs/dbraw/zinc/87/68/70/871876870.db2.gz JTQOQZQHQBJJPJ-ISKFKSNPSA-N 1 3 391.559 3.745 20 0 GHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783670 871876890 /nfs/dbraw/zinc/87/68/90/871876890.db2.gz JTQOQZQHQBJJPJ-ISKFKSNPSA-N 1 3 391.559 3.745 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000552044046 871925064 /nfs/dbraw/zinc/92/50/64/871925064.db2.gz NHIKZQTWYCCHBN-QPXUXIHVSA-N 1 3 386.580 3.710 20 0 GHADHO O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579896 871925785 /nfs/dbraw/zinc/92/57/85/871925785.db2.gz MHTPSRSJGQQTSM-JLLPCOHGSA-N 1 3 389.543 3.573 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CCO1 ZINC000540733586 872021667 /nfs/dbraw/zinc/02/16/67/872021667.db2.gz TVLVWSUGYWZATN-REWPJTCUSA-N 1 3 379.548 3.666 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)C[C@@H](O)c2ccccc2)CC1 ZINC000763515692 872230728 /nfs/dbraw/zinc/23/07/28/872230728.db2.gz FVADFYBGWOEKNN-HYBUGGRVSA-N 1 3 381.564 3.820 20 0 GHADHO COc1cc(NCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000552580739 872850545 /nfs/dbraw/zinc/85/05/45/872850545.db2.gz ASPVBXSXELOERI-QUCCMNQESA-N 1 3 383.536 3.758 20 0 GHADHO COc1cc(NCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000552580739 872850560 /nfs/dbraw/zinc/85/05/60/872850560.db2.gz ASPVBXSXELOERI-QUCCMNQESA-N 1 3 383.536 3.758 20 0 GHADHO COc1cc(NCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000552580740 872850860 /nfs/dbraw/zinc/85/08/60/872850860.db2.gz ASPVBXSXELOERI-UYAOXDASSA-N 1 3 383.536 3.758 20 0 GHADHO COc1cc(NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000552580740 872850868 /nfs/dbraw/zinc/85/08/68/872850868.db2.gz ASPVBXSXELOERI-UYAOXDASSA-N 1 3 383.536 3.758 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCCOC(C)(C)C)C2)ccn1 ZINC001196393047 873071223 /nfs/dbraw/zinc/07/12/23/873071223.db2.gz KOEMXZVDJMLMCE-OAQYLSRUSA-N 1 3 377.573 3.970 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCCOC(C)(C)C)C2)ccn1 ZINC001196393047 873071230 /nfs/dbraw/zinc/07/12/30/873071230.db2.gz KOEMXZVDJMLMCE-OAQYLSRUSA-N 1 3 377.573 3.970 20 0 GHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768209622 873146005 /nfs/dbraw/zinc/14/60/05/873146005.db2.gz RTIGVUOTOYYBOP-OTWHNJEPSA-N 1 3 397.604 3.501 20 0 GHADHO Cn1cc(-c2nc(CNCC3CC[NH+](Cc4cccs4)CC3)cs2)cn1 ZINC000527650521 873402981 /nfs/dbraw/zinc/40/29/81/873402981.db2.gz PXNRVJAEELMZMD-UHFFFAOYSA-N 1 3 387.578 3.607 20 0 GHADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000464777768 874473042 /nfs/dbraw/zinc/47/30/42/874473042.db2.gz PDQKWKJOVWDKCD-PMACEKPBSA-N 1 3 379.548 3.819 20 0 GHADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000541904565 874524302 /nfs/dbraw/zinc/52/43/02/874524302.db2.gz SJSOPARHRYQNMM-FMRHZRETSA-N 1 3 376.548 3.533 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000449187266 874579446 /nfs/dbraw/zinc/57/94/46/874579446.db2.gz QELOPAPPNDIFGP-YKSBVNFPSA-N 1 3 397.607 3.853 20 0 GHADHO Cc1c(F)cccc1NC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846929 874627597 /nfs/dbraw/zinc/62/75/97/874627597.db2.gz KLJRUJRMOGAUIB-HXUWFJFHSA-N 1 3 383.511 3.917 20 0 GHADHO Cc1c(F)cccc1NC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846929 874627604 /nfs/dbraw/zinc/62/76/04/874627604.db2.gz KLJRUJRMOGAUIB-HXUWFJFHSA-N 1 3 383.511 3.917 20 0 GHADHO CC1(C)CN(Cc2cccc(C(N)=O)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449415432 874810072 /nfs/dbraw/zinc/81/00/72/874810072.db2.gz OZLHVMZEQGLMDP-HSZRJFAPSA-N 1 3 391.559 3.908 20 0 GHADHO CC1CC[NH+](Cc2ccc(CN[C@@H]3CCC4(C[C@H]3F)OCCO4)cc2)CC1 ZINC001199109777 874824059 /nfs/dbraw/zinc/82/40/59/874824059.db2.gz IZLLYXIUZFNOLN-NHCUHLMSSA-N 1 3 376.516 3.642 20 0 GHADHO COCCn1cc(CN2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000449411428 874834859 /nfs/dbraw/zinc/83/48/59/874834859.db2.gz BIQCCBQGXUKRID-QHCPKHFHSA-N 1 3 396.579 3.652 20 0 GHADHO Cn1nccc1[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449596155 875100050 /nfs/dbraw/zinc/10/00/50/875100050.db2.gz WYMOMJOOJNZZEB-ICSRJNTNSA-N 1 3 376.589 3.909 20 0 GHADHO CSC1(CNCc2cc(C)c(F)cc2Br)CC[NH+](C)CC1 ZINC000858165596 882903483 /nfs/dbraw/zinc/90/34/83/882903483.db2.gz KPABTTVPYRZHIX-UHFFFAOYSA-N 1 3 375.351 3.814 20 0 GHADHO C[C@@H]1COCC[C@H]1[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000192470199 882926581 /nfs/dbraw/zinc/92/65/81/882926581.db2.gz SWVAXULMAAUWHJ-YLJYHZDGSA-N 1 3 399.501 3.622 20 0 GHADHO c1ccc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@H+](CC2CCCC2)C3)nc1 ZINC001202138093 876018030 /nfs/dbraw/zinc/01/80/30/876018030.db2.gz DRFQHAXVWVUZSE-UPVQGACJSA-N 1 3 383.580 3.822 20 0 GHADHO c1ccc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](CC2CCCC2)C3)nc1 ZINC001202138093 876018042 /nfs/dbraw/zinc/01/80/42/876018042.db2.gz DRFQHAXVWVUZSE-UPVQGACJSA-N 1 3 383.580 3.822 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC(F)(F)C1 ZINC000529585383 876359923 /nfs/dbraw/zinc/35/99/23/876359923.db2.gz GFKCJAYQDXFOEW-PXNSSMCTSA-N 1 3 378.507 3.939 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3cc(OC)cc(C(F)(F)F)c3)CC2)CC1 ZINC000529610964 876375034 /nfs/dbraw/zinc/37/50/34/876375034.db2.gz HHKCMFWPDGGPDF-UHFFFAOYSA-N 1 3 399.501 3.706 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccc4ccccc4c3)c2)C1 ZINC000108420847 876466792 /nfs/dbraw/zinc/46/67/92/876466792.db2.gz NCYLVCQNGBZQIF-DEOSSOPVSA-N 1 3 387.527 3.827 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc4ccccc4c3)c2)C1 ZINC000108420847 876466801 /nfs/dbraw/zinc/46/68/01/876466801.db2.gz NCYLVCQNGBZQIF-DEOSSOPVSA-N 1 3 387.527 3.827 20 0 GHADHO Brc1ccc2ncc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)n2c1 ZINC000192921857 883046790 /nfs/dbraw/zinc/04/67/90/883046790.db2.gz ODRHUHDLGUGXOG-KRWDZBQOSA-N 1 3 399.336 3.709 20 0 GHADHO CC(C)c1nnc(CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000492354414 876672034 /nfs/dbraw/zinc/67/20/34/876672034.db2.gz FGMDNYQGVOVYMA-UHFFFAOYSA-N 1 3 376.545 3.640 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C4CCOCC4)c3)CC2)CC1 ZINC000529936555 876863606 /nfs/dbraw/zinc/86/36/06/876863606.db2.gz LYFWEXWHCFQQKO-UHFFFAOYSA-N 1 3 399.579 3.715 20 0 GHADHO CC(C)(C)N1CCC([NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850442614 876925937 /nfs/dbraw/zinc/92/59/37/876925937.db2.gz NJXQFLZJBCXMJU-SFHVURJKSA-N 1 3 397.485 3.875 20 0 GHADHO CCS[C@@H]1CC[C@H](N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000174341670 876974295 /nfs/dbraw/zinc/97/42/95/876974295.db2.gz UGXAYHFYWVEJAR-LEWJYISDSA-N 1 3 389.609 3.505 20 0 GHADHO Clc1cccc(N2CCCC2)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249038 877329993 /nfs/dbraw/zinc/32/99/93/877329993.db2.gz STAUOKUUHZJXFA-SFHVURJKSA-N 1 3 377.960 3.531 20 0 GHADHO C[C@@H](CN1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000530248707 877332519 /nfs/dbraw/zinc/33/25/19/877332519.db2.gz OJAXLSUEQQKMCD-KXBFYZLASA-N 1 3 381.358 3.643 20 0 GHADHO CC[C@@H](c1ccc(Br)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238758 877346917 /nfs/dbraw/zinc/34/69/17/877346917.db2.gz BWMSWAYBRGCMSQ-MOPGFXCFSA-N 1 3 381.358 3.991 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699034 877665234 /nfs/dbraw/zinc/66/52/34/877665234.db2.gz JMGXHMRUOPUCEO-DVKRWUGUSA-N 1 3 385.596 3.615 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699034 877665236 /nfs/dbraw/zinc/66/52/36/877665236.db2.gz JMGXHMRUOPUCEO-DVKRWUGUSA-N 1 3 385.596 3.615 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000551778894 877794860 /nfs/dbraw/zinc/79/48/60/877794860.db2.gz JJRNXRUKUCYEPP-OALUTQOASA-N 1 3 383.502 3.957 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cn[nH]c1 ZINC000671098965 877897451 /nfs/dbraw/zinc/89/74/51/877897451.db2.gz WAMYLAYEQPWZMQ-MRXNPFEDSA-N 1 3 395.473 3.682 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000615656970 877983103 /nfs/dbraw/zinc/98/31/03/877983103.db2.gz YPXRJANNUANVCN-UHFFFAOYSA-N 1 3 388.600 3.790 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000615656970 877983112 /nfs/dbraw/zinc/98/31/12/877983112.db2.gz YPXRJANNUANVCN-UHFFFAOYSA-N 1 3 388.600 3.790 20 0 GHADHO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000245543154 878079423 /nfs/dbraw/zinc/07/94/23/878079423.db2.gz SESQYASLSZBVAQ-AQNXPRMDSA-N 1 3 386.584 3.513 20 0 GHADHO CN(C)CCN(C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000176191534 878139022 /nfs/dbraw/zinc/13/90/22/878139022.db2.gz ROAGNEFFRLKXMX-UHFFFAOYSA-N 1 3 394.563 3.652 20 0 GHADHO COC(=O)Nc1cccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000285545779 912334039 /nfs/dbraw/zinc/33/40/39/912334039.db2.gz QIYKAUCVIJENMV-UHFFFAOYSA-N 1 3 396.535 3.685 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(CC(NC[C@H]3CCC[N@@H+]3C3CCCCC3)C2)C1 ZINC000788802063 878329759 /nfs/dbraw/zinc/32/97/59/878329759.db2.gz NTAUXKWMJLDMRX-LJQANCHMSA-N 1 3 377.573 3.773 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(CC(NC[C@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000788802063 878329762 /nfs/dbraw/zinc/32/97/62/878329762.db2.gz NTAUXKWMJLDMRX-LJQANCHMSA-N 1 3 377.573 3.773 20 0 GHADHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1)CC1CC1 ZINC000537848530 878388633 /nfs/dbraw/zinc/38/86/33/878388633.db2.gz GXCUQLNDUBCAKD-FQEVSTJZSA-N 1 3 385.596 3.868 20 0 GHADHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1)CC1CC1 ZINC000537848530 878388651 /nfs/dbraw/zinc/38/86/51/878388651.db2.gz GXCUQLNDUBCAKD-FQEVSTJZSA-N 1 3 385.596 3.868 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000537953423 878578654 /nfs/dbraw/zinc/57/86/54/878578654.db2.gz SPJRUDXYLACACV-VQIMIIECSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000537953423 878578665 /nfs/dbraw/zinc/57/86/65/878578665.db2.gz SPJRUDXYLACACV-VQIMIIECSA-N 1 3 393.453 3.979 20 0 GHADHO CCC[NH+]1CCC(N(C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000530905473 878721982 /nfs/dbraw/zinc/72/19/82/878721982.db2.gz SBFRUJXDUWBOJA-HXUWFJFHSA-N 1 3 379.548 3.962 20 0 GHADHO CC1(C)CN(C[C@H](O)c2ccccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000853063695 878783140 /nfs/dbraw/zinc/78/31/40/878783140.db2.gz FDIBHTYBEKVFNG-GOTSBHOMSA-N 1 3 379.548 3.738 20 0 GHADHO O[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cc(F)ccc1F ZINC000853120233 878827187 /nfs/dbraw/zinc/82/71/87/878827187.db2.gz HYWHULMRCOQYNT-PGRDOPGGSA-N 1 3 386.486 3.890 20 0 GHADHO C[NH+](C)[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001183372605 912488151 /nfs/dbraw/zinc/48/81/51/912488151.db2.gz JNAYDKBZDRDQSH-KMDXXIMOSA-N 1 3 391.559 3.630 20 0 GHADHO C[C@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000494000022 879804254 /nfs/dbraw/zinc/80/42/54/879804254.db2.gz NWZWAQMBZONCLL-CVDCTZTESA-N 1 3 377.532 3.675 20 0 GHADHO O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000247013004 879882949 /nfs/dbraw/zinc/88/29/49/879882949.db2.gz XNQAWFCFEKKWGG-REWPJTCUSA-N 1 3 393.531 3.658 20 0 GHADHO O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000247013004 879882955 /nfs/dbraw/zinc/88/29/55/879882955.db2.gz XNQAWFCFEKKWGG-REWPJTCUSA-N 1 3 393.531 3.658 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000247152904 879931874 /nfs/dbraw/zinc/93/18/74/879931874.db2.gz XFUDNRIIXRVLSA-IEBWSBKVSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000247152904 879931882 /nfs/dbraw/zinc/93/18/82/879931882.db2.gz XFUDNRIIXRVLSA-IEBWSBKVSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000247152904 879931889 /nfs/dbraw/zinc/93/18/89/879931889.db2.gz XFUDNRIIXRVLSA-IEBWSBKVSA-N 1 3 379.976 3.787 20 0 GHADHO Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)c2)cc1 ZINC000247207912 879942430 /nfs/dbraw/zinc/94/24/30/879942430.db2.gz WTTIHJHVHRSXBA-DNVFCKCGSA-N 1 3 379.548 3.743 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183058488 880054330 /nfs/dbraw/zinc/05/43/30/880054330.db2.gz OCXURLLXGOUMDL-FQEVSTJZSA-N 1 3 381.564 3.725 20 0 GHADHO CC(C)[NH+](CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(C)C ZINC000509482006 880441553 /nfs/dbraw/zinc/44/15/53/880441553.db2.gz XUHLSWJPFHDVKD-FQEVSTJZSA-N 1 3 399.501 3.676 20 0 GHADHO COCCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453084292 880441717 /nfs/dbraw/zinc/44/17/17/880441717.db2.gz DJHQSDMMSAKAPG-VXNXHJTFSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)Cc1cccc([C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000286130248 912581806 /nfs/dbraw/zinc/58/18/06/912581806.db2.gz WINIUXYIGQLPLR-IBGZPJMESA-N 1 3 385.596 3.663 20 0 GHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc4c(c3)COC(C)(C)O4)CC2)C[C@@H](C)O1 ZINC000186310091 880849954 /nfs/dbraw/zinc/84/99/54/880849954.db2.gz MUKXTLSEKULJQH-QZTJIDSGSA-N 1 3 388.552 3.653 20 0 GHADHO COc1ccc(-c2ccncc2)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187047560 881058743 /nfs/dbraw/zinc/05/87/43/881058743.db2.gz LYAVVGPWFSWDQE-UHFFFAOYSA-N 1 3 395.547 3.834 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)N1CCCCCC1 ZINC000114264619 881230188 /nfs/dbraw/zinc/23/01/88/881230188.db2.gz VMOVBEBMGKLKCC-QGZVFWFLSA-N 1 3 390.547 3.559 20 0 GHADHO Cc1cccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1Cl ZINC001211910468 883303899 /nfs/dbraw/zinc/30/38/99/883303899.db2.gz DLVXAULVFPOKLG-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1cccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1Cl ZINC001211910468 883303902 /nfs/dbraw/zinc/30/39/02/883303902.db2.gz DLVXAULVFPOKLG-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC000729601334 883398317 /nfs/dbraw/zinc/39/83/17/883398317.db2.gz PQCGOBTZIJZEFO-QFIPXVFZSA-N 1 3 382.552 3.501 20 0 GHADHO CN(C)C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000476964494 883486328 /nfs/dbraw/zinc/48/63/28/883486328.db2.gz UEITYFOGBXXQQG-JOCHJYFZSA-N 1 3 398.526 3.524 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(CCC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000859106314 883591092 /nfs/dbraw/zinc/59/10/92/883591092.db2.gz JZQBTSRAQQLCSP-LJQANCHMSA-N 1 3 379.589 3.687 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455859115 884022623 /nfs/dbraw/zinc/02/26/23/884022623.db2.gz POBFUPPJGNGFRA-ZQMYSKGWSA-N 1 3 392.547 3.878 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1NC(C)=O ZINC000192930142 884314083 /nfs/dbraw/zinc/31/40/83/884314083.db2.gz ZIRLWKHFSJIMKW-FXAWDEMLSA-N 1 3 381.520 3.826 20 0 GHADHO CN(C)C[C@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccc(F)cc1 ZINC000806929740 885095506 /nfs/dbraw/zinc/09/55/06/885095506.db2.gz CJWAGYQPJHQBST-CBNMVNINSA-N 1 3 390.547 3.525 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000532507322 885844672 /nfs/dbraw/zinc/84/46/72/885844672.db2.gz ZUKBSDKCKWQEEQ-MYUZEXMDSA-N 1 3 386.561 3.749 20 0 GHADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000131556750 886255153 /nfs/dbraw/zinc/25/51/53/886255153.db2.gz VYWRIJNAJKBUJY-KGLIPLIRSA-N 1 3 385.321 3.740 20 0 GHADHO Brc1csc(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)c1 ZINC001279165940 887168404 /nfs/dbraw/zinc/16/84/04/887168404.db2.gz YWKAYXYDXKKKMK-SJORKVTESA-N 1 3 395.370 3.959 20 0 GHADHO CC[C@H](C)Oc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195343954 888681709 /nfs/dbraw/zinc/68/17/09/888681709.db2.gz URMYCBKPPVQUCX-KRWDZBQOSA-N 1 3 388.556 3.544 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000173636851 890453246 /nfs/dbraw/zinc/45/32/46/890453246.db2.gz FDQHMKAKRUKNRV-FQEVSTJZSA-N 1 3 397.567 3.624 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000173636851 890453255 /nfs/dbraw/zinc/45/32/55/890453255.db2.gz FDQHMKAKRUKNRV-FQEVSTJZSA-N 1 3 397.567 3.624 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1Cl ZINC000126678664 890644556 /nfs/dbraw/zinc/64/45/56/890644556.db2.gz IQGAZUMUDYPFOC-QGZVFWFLSA-N 1 3 387.955 3.947 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CSCCc4ccccc43)cc2)CC1 ZINC000126730312 890668781 /nfs/dbraw/zinc/66/87/81/890668781.db2.gz LITWWNJISXLSRL-HSZRJFAPSA-N 1 3 381.589 3.554 20 0 GHADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)CN1CCCCC1 ZINC000533549582 890863692 /nfs/dbraw/zinc/86/36/92/890863692.db2.gz RYFJPNWGOPMRGQ-VAMGGRTRSA-N 1 3 397.563 3.696 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1 ZINC000497418456 891536611 /nfs/dbraw/zinc/53/66/11/891536611.db2.gz PVOJKJGUALLNRH-PKTZIBPZSA-N 1 3 379.548 3.746 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1 ZINC000497418456 891536618 /nfs/dbraw/zinc/53/66/18/891536618.db2.gz PVOJKJGUALLNRH-PKTZIBPZSA-N 1 3 379.548 3.746 20 0 GHADHO N[C@@H](CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)Cc1ccccc1 ZINC000873236083 891538607 /nfs/dbraw/zinc/53/86/07/891538607.db2.gz XATJCRTXYHYERX-SFTDATJTSA-N 1 3 381.520 3.590 20 0 GHADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc(CN)nn3)c1)CCCO2 ZINC000873244583 891546964 /nfs/dbraw/zinc/54/69/64/891546964.db2.gz SEMVFIGDJVSWGV-HXUWFJFHSA-N 1 3 397.910 3.691 20 0 GHADHO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873247651 891548429 /nfs/dbraw/zinc/54/84/29/891548429.db2.gz RFPFPOVOPLDRAH-QGZVFWFLSA-N 1 3 379.508 3.612 20 0 GHADHO CCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000161647059 891770249 /nfs/dbraw/zinc/77/02/49/891770249.db2.gz VGLCRXCDOUMFBP-CQSZACIVSA-N 1 3 387.446 3.766 20 0 GHADHO C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459530365 893740517 /nfs/dbraw/zinc/74/05/17/893740517.db2.gz PKYLIHUZHPXTHL-RBBKRZOGSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)c(F)c1 ZINC000536859075 893951337 /nfs/dbraw/zinc/95/13/37/893951337.db2.gz RRTMQHZSYLKXBH-AWEZNQCLSA-N 1 3 377.891 3.621 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4CC5(CO4)CCOCC5)CC[C@@H]32)cc1 ZINC000878198121 894085538 /nfs/dbraw/zinc/08/55/38/894085538.db2.gz SPQUDXZTGBZPQO-VJBWXMMDSA-N 1 3 384.564 3.559 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4CC5(CO4)CCOCC5)CC[C@@H]32)cc1 ZINC000878198121 894085547 /nfs/dbraw/zinc/08/55/47/894085547.db2.gz SPQUDXZTGBZPQO-VJBWXMMDSA-N 1 3 384.564 3.559 20 0 GHADHO Fc1ccc(CC[NH+]2CCC(NCc3ccc(Cn4cccn4)cc3)CC2)cc1 ZINC000564074630 894549198 /nfs/dbraw/zinc/54/91/98/894549198.db2.gz NCNJKTCDSGNIQA-UHFFFAOYSA-N 1 3 392.522 3.867 20 0 GHADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)COCc1ccccc1Cl ZINC000564845683 895279777 /nfs/dbraw/zinc/27/97/77/895279777.db2.gz VVAUHZWOJLQBRW-OAQYLSRUSA-N 1 3 388.939 3.603 20 0 GHADHO Brc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001170864040 895561155 /nfs/dbraw/zinc/56/11/55/895561155.db2.gz QVCIXDLHADXRON-UFYCRDLUSA-N 1 3 393.369 3.539 20 0 GHADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817982633 895991462 /nfs/dbraw/zinc/99/14/62/895991462.db2.gz USSKNFPATGXTSQ-KDOFPFPSSA-N 1 3 382.476 3.814 20 0 GHADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818984254 896304001 /nfs/dbraw/zinc/30/40/01/896304001.db2.gz BUFHGXXFPOGMMZ-GOSISDBHSA-N 1 3 383.319 3.757 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)C[C@H](O)c2cccs2)CC1 ZINC000131272080 897390124 /nfs/dbraw/zinc/39/01/24/897390124.db2.gz GBPYKKSDVDOZAK-NQIIRXRSSA-N 1 3 387.593 3.882 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H]3CCCCN3C(C)C)C2)s1 ZINC000568045582 897554923 /nfs/dbraw/zinc/55/49/23/897554923.db2.gz FTJUPTLWQPLVSW-AZUAARDMSA-N 1 3 377.598 3.600 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H]3CCCCN3C(C)C)C2)s1 ZINC000568045582 897554939 /nfs/dbraw/zinc/55/49/39/897554939.db2.gz FTJUPTLWQPLVSW-AZUAARDMSA-N 1 3 377.598 3.600 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccccc3CN(C)C)C2)s1 ZINC000568403426 897809740 /nfs/dbraw/zinc/80/97/40/897809740.db2.gz YRAYZZJPEOJIDP-SFHVURJKSA-N 1 3 385.577 3.712 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccccc3CN(C)C)C2)s1 ZINC000568403426 897809750 /nfs/dbraw/zinc/80/97/50/897809750.db2.gz YRAYZZJPEOJIDP-SFHVURJKSA-N 1 3 385.577 3.712 20 0 GHADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000289475680 914205347 /nfs/dbraw/zinc/20/53/47/914205347.db2.gz JMLOZKSUNVPMCG-NWNNTGRJSA-N 1 3 380.479 3.782 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4cc(C)cc(C)c4)C3)CC2)CC1 ZINC000568647774 898006404 /nfs/dbraw/zinc/00/64/04/898006404.db2.gz UZJZXSILVBOONV-JOCHJYFZSA-N 1 3 397.607 3.816 20 0 GHADHO Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569482029 898700945 /nfs/dbraw/zinc/70/09/45/898700945.db2.gz XFINJIUARLIOCG-UIAACRFSSA-N 1 3 389.902 3.597 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631925 899456572 /nfs/dbraw/zinc/45/65/72/899456572.db2.gz WIGKDDNEPSVTGB-NHTMILBNSA-N 1 3 399.623 3.910 20 0 GHADHO CC(C)Sc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120291574 899783962 /nfs/dbraw/zinc/78/39/62/899783962.db2.gz SQQMSEGWWGZETK-UHFFFAOYSA-N 1 3 390.597 3.867 20 0 GHADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c2ccccc21 ZINC000572832613 900284682 /nfs/dbraw/zinc/28/46/82/900284682.db2.gz NZRSNJUTTOCKEH-UPRAQXHNSA-N 1 3 377.410 3.898 20 0 GHADHO CCCOc1cc(C)ccc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000573218080 900418375 /nfs/dbraw/zinc/41/83/75/900418375.db2.gz ZKEIKIPYIWSVBM-UHFFFAOYSA-N 1 3 387.568 3.919 20 0 GHADHO CCc1cc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc(CC)c1O ZINC001144142289 901120848 /nfs/dbraw/zinc/12/08/48/901120848.db2.gz NZAUBRIVYAOBJU-ISKFKSNPSA-N 1 3 386.580 3.697 20 0 GHADHO CCc1cc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc(CC)c1O ZINC001144142289 901120863 /nfs/dbraw/zinc/12/08/63/901120863.db2.gz NZAUBRIVYAOBJU-ISKFKSNPSA-N 1 3 386.580 3.697 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000886545055 901144960 /nfs/dbraw/zinc/14/49/60/901144960.db2.gz GGBSCHPCGQDSJA-WWNPGLIZSA-N 1 3 393.531 3.667 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886545055 901144967 /nfs/dbraw/zinc/14/49/67/901144967.db2.gz GGBSCHPCGQDSJA-WWNPGLIZSA-N 1 3 393.531 3.667 20 0 GHADHO Brc1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000576875119 902325702 /nfs/dbraw/zinc/32/57/02/902325702.db2.gz MLPQRLUSCZLUQV-CVEARBPZSA-N 1 3 390.325 3.926 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+]C3CC(c4cc(F)cc(F)c4)C3)cc2)CC1 ZINC000577324037 902681262 /nfs/dbraw/zinc/68/12/62/902681262.db2.gz HIRFXZJSNRKCKN-UHFFFAOYSA-N 1 3 385.502 3.748 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000577766681 903168190 /nfs/dbraw/zinc/16/81/90/903168190.db2.gz GVBDQSBLBCUTDG-UHFFFAOYSA-N 1 3 385.552 3.535 20 0 GHADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000578647693 904025845 /nfs/dbraw/zinc/02/58/45/904025845.db2.gz BKPIXMGNDPOSBC-MRXNPFEDSA-N 1 3 399.501 3.621 20 0 GHADHO c1ccc(C[NH+]2CCC3(CCN(Cc4cccc5c4OCCO5)C3)CC2)cc1 ZINC000579150082 904380392 /nfs/dbraw/zinc/38/03/92/904380392.db2.gz BDPXCRONWLPNGH-UHFFFAOYSA-N 1 3 378.516 3.946 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564618 904828888 /nfs/dbraw/zinc/82/88/88/904828888.db2.gz CTQGQVGRCXZMMC-UNMCSNQZSA-N 1 3 384.564 3.592 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564618 904828906 /nfs/dbraw/zinc/82/89/06/904828906.db2.gz CTQGQVGRCXZMMC-UNMCSNQZSA-N 1 3 384.564 3.592 20 0 GHADHO COCCC1([NH3+])CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)CC1 ZINC001171597301 904858873 /nfs/dbraw/zinc/85/88/73/904858873.db2.gz RLEYPDZZGLJKQF-QZTJIDSGSA-N 1 3 397.604 3.630 20 0 GHADHO CN1C(C)(C)CC([NH2+]C2CCN(C(=O)c3cccc(F)c3)CC2)CC1(C)C ZINC001171626054 904890467 /nfs/dbraw/zinc/89/04/67/904890467.db2.gz UQFVTIXCOKDSQJ-UHFFFAOYSA-N 1 3 375.532 3.671 20 0 GHADHO CC1(C)C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CCN1Cc1ccccc1 ZINC001171965926 905174765 /nfs/dbraw/zinc/17/47/65/905174765.db2.gz KCPLSWOJXPSXRM-HXUWFJFHSA-N 1 3 386.561 3.623 20 0 GHADHO CCCN1C[C@@H]2C[N@H+](C3CCN(c4ccc(Br)cc4)CC3)C[C@@H]2C1 ZINC001171999749 905211886 /nfs/dbraw/zinc/21/18/86/905211886.db2.gz YGJVNDNIQJKLEM-CALCHBBNSA-N 1 3 392.385 3.692 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+](C3CCN(c4ccc(Br)cc4)CC3)C[C@@H]2C1 ZINC001171999749 905211902 /nfs/dbraw/zinc/21/19/02/905211902.db2.gz YGJVNDNIQJKLEM-CALCHBBNSA-N 1 3 392.385 3.692 20 0 GHADHO CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171979158 905228696 /nfs/dbraw/zinc/22/86/96/905228696.db2.gz CQDIDSOHWONQOZ-HXUWFJFHSA-N 1 3 387.568 3.886 20 0 GHADHO CC1(C)C[C@H](NCCC(=O)NCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171985021 905241366 /nfs/dbraw/zinc/24/13/66/905241366.db2.gz ZZPQSHYJCGZKKU-JOCHJYFZSA-N 1 3 379.548 3.726 20 0 GHADHO CC1(C)C[C@H](NCCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171985021 905241383 /nfs/dbraw/zinc/24/13/83/905241383.db2.gz ZZPQSHYJCGZKKU-JOCHJYFZSA-N 1 3 379.548 3.726 20 0 GHADHO COc1cccc(C[C@H](CO)N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984606 905241469 /nfs/dbraw/zinc/24/14/69/905241469.db2.gz WKMGNUZKUGFLLG-FCHUYYIVSA-N 1 3 382.548 3.631 20 0 GHADHO COc1cccc(C[C@H](CO)N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984606 905241485 /nfs/dbraw/zinc/24/14/85/905241485.db2.gz WKMGNUZKUGFLLG-FCHUYYIVSA-N 1 3 382.548 3.631 20 0 GHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CC[C@H](N4CCOCC4)CC2)C3)cc1 ZINC001172071660 905273637 /nfs/dbraw/zinc/27/36/37/905273637.db2.gz YCCPDBWFJMBWIF-CJFJMBEZSA-N 1 3 397.607 3.805 20 0 GHADHO O=c1ccc2c([nH]1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001172076958 905288800 /nfs/dbraw/zinc/28/88/00/905288800.db2.gz BXZIIYNCCMZROL-ZBYYUNFXSA-N 1 3 377.532 3.774 20 0 GHADHO O=c1ccc2c([nH]1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172076958 905288811 /nfs/dbraw/zinc/28/88/11/905288811.db2.gz BXZIIYNCCMZROL-ZBYYUNFXSA-N 1 3 377.532 3.774 20 0 GHADHO CC(C)(C)C(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065270 905330424 /nfs/dbraw/zinc/33/04/24/905330424.db2.gz JUHAEKNSWDXZKI-YSFYHYPLSA-N 1 3 383.580 3.809 20 0 GHADHO CC(C)(C)C(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065270 905330442 /nfs/dbraw/zinc/33/04/42/905330442.db2.gz JUHAEKNSWDXZKI-YSFYHYPLSA-N 1 3 383.580 3.809 20 0 GHADHO COCCCN1CCC([NH2+]C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC001172243972 905442971 /nfs/dbraw/zinc/44/29/71/905442971.db2.gz VFTRQQKCRNDHCZ-UHFFFAOYSA-N 1 3 393.575 3.551 20 0 GHADHO COCCC[NH+]1CCC(NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001172244334 905443021 /nfs/dbraw/zinc/44/30/21/905443021.db2.gz OYXYAMCYACWSHD-NRFANRHFSA-N 1 3 379.976 3.567 20 0 GHADHO COCCCN1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001172244334 905443034 /nfs/dbraw/zinc/44/30/34/905443034.db2.gz OYXYAMCYACWSHD-NRFANRHFSA-N 1 3 379.976 3.567 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@H](C)C1 ZINC000190006947 905479251 /nfs/dbraw/zinc/47/92/51/905479251.db2.gz NKQIHRULUSSMOK-VGOFRKELSA-N 1 3 398.547 3.508 20 0 GHADHO CC(C)OCC[C@@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172451140 905568381 /nfs/dbraw/zinc/56/83/81/905568381.db2.gz GQCMBKIDVSBCCT-UEVCKROQSA-N 1 3 378.601 3.651 20 0 GHADHO CC(C)OCC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172451140 905568396 /nfs/dbraw/zinc/56/83/96/905568396.db2.gz GQCMBKIDVSBCCT-UEVCKROQSA-N 1 3 378.601 3.651 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H](NC(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172584375 905684319 /nfs/dbraw/zinc/68/43/19/905684319.db2.gz NGNXXLFXFWMQLB-SJLPKXTDSA-N 1 3 379.520 3.902 20 0 GHADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001173076818 906174244 /nfs/dbraw/zinc/17/42/44/906174244.db2.gz WPZRGKIXUAUDDA-SZMVWBNQSA-N 1 3 386.458 3.749 20 0 GHADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)Cc1ccc(Cl)cc1 ZINC000179883224 906623762 /nfs/dbraw/zinc/62/37/62/906623762.db2.gz DVDIJPZAHQTKDM-KRWDZBQOSA-N 1 3 391.987 3.584 20 0 GHADHO Cc1c[nH+]ccc1Nc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC001174539670 907076332 /nfs/dbraw/zinc/07/63/32/907076332.db2.gz PKGHIGOMGPTUAK-UHFFFAOYSA-N 1 3 378.520 3.646 20 0 GHADHO Cc1ccc(NC(=O)Nc2cccc(CN(C)C)c2)cc1NC(=O)CC[NH+](C)C ZINC000184100371 907514950 /nfs/dbraw/zinc/51/49/50/907514950.db2.gz SZOAJXBSCAGGPR-UHFFFAOYSA-N 1 3 397.523 3.591 20 0 GHADHO CN(c1ccccc1CNCc1ccc(C(C)(C)O)cc1)C1CC[NH+](C)CC1 ZINC000187500241 908096625 /nfs/dbraw/zinc/09/66/25/908096625.db2.gz PAYZCGHJVLJOLZ-UHFFFAOYSA-N 1 3 381.564 3.734 20 0 GHADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN([C@H]3CCCC[C@@H]3O)CC1)CCS2 ZINC000191535142 908639235 /nfs/dbraw/zinc/63/92/35/908639235.db2.gz HJIKSFYZDKAHAD-UFYCRDLUSA-N 1 3 376.566 3.590 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001177843767 908777283 /nfs/dbraw/zinc/77/72/83/908777283.db2.gz GKDUNLAFDBLOAO-YJBOKZPZSA-N 1 3 384.948 3.584 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000195195801 908979419 /nfs/dbraw/zinc/97/94/19/908979419.db2.gz VMSBQAPJVSHEMS-QFIPXVFZSA-N 1 3 379.589 3.878 20 0 GHADHO Cc1ccc(-c2ncc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)s2)cc1 ZINC001178463588 909065694 /nfs/dbraw/zinc/06/56/94/909065694.db2.gz RPUHNSXCWWZOOF-NRFANRHFSA-N 1 3 393.556 3.975 20 0 GHADHO Cc1ccc(-c2ncc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)s2)cc1 ZINC001178463588 909065709 /nfs/dbraw/zinc/06/57/09/909065709.db2.gz RPUHNSXCWWZOOF-NRFANRHFSA-N 1 3 393.556 3.975 20 0 GHADHO CN1C[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](c2ccccc2)C1 ZINC001179015616 909357136 /nfs/dbraw/zinc/35/71/36/909357136.db2.gz HBYUNIYVWVZUKZ-MOPGFXCFSA-N 1 3 386.923 3.936 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000268750083 909996440 /nfs/dbraw/zinc/99/64/40/909996440.db2.gz CESCWZFMWWFVMD-XRHLQHRESA-N 1 3 388.577 3.995 20 0 GHADHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CC(=O)N2C ZINC000268864088 910049024 /nfs/dbraw/zinc/04/90/24/910049024.db2.gz KDDPVYMQXLTOEV-DLBZAZTESA-N 1 3 381.520 3.558 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000268961547 910083844 /nfs/dbraw/zinc/08/38/44/910083844.db2.gz FTJMMIXOVVRTCN-NSHDSACASA-N 1 3 384.364 3.832 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000638259433 910098967 /nfs/dbraw/zinc/09/89/67/910098967.db2.gz HTINSYYVHWLUPB-BJKOFHAPSA-N 1 3 398.510 3.539 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000638259433 910098990 /nfs/dbraw/zinc/09/89/90/910098990.db2.gz HTINSYYVHWLUPB-BJKOFHAPSA-N 1 3 398.510 3.539 20 0 GHADHO Cc1ccncc1[C@@H](C)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000271341061 910867341 /nfs/dbraw/zinc/86/73/41/910867341.db2.gz CDVIHPZMEVSWSA-LJQANCHMSA-N 1 3 383.536 3.730 20 0 GHADHO Cc1ccncc1[C@@H](C)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000271341061 910867353 /nfs/dbraw/zinc/86/73/53/910867353.db2.gz CDVIHPZMEVSWSA-LJQANCHMSA-N 1 3 383.536 3.730 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000271464970 910913958 /nfs/dbraw/zinc/91/39/58/910913958.db2.gz GNJRTDTXXZNXNR-IGNZVWTISA-N 1 3 385.321 3.617 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC4CCC5(CC4)OCCO5)[C@H]3C2)cc1 ZINC000774389870 911732359 /nfs/dbraw/zinc/73/23/59/911732359.db2.gz CLAMFEXEPFCJQX-VABKMULXSA-N 1 3 384.564 3.810 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000093279848 912161417 /nfs/dbraw/zinc/16/14/17/912161417.db2.gz IYNMZCGKSGLCOI-QHCPKHFHSA-N 1 3 386.511 3.712 20 0 GHADHO Cc1nc(-c2cccc(NC(=O)CN3CC4(C[C@H]3C)CC[NH2+]CC4)c2)cs1 ZINC000649420897 916149983 /nfs/dbraw/zinc/14/99/83/916149983.db2.gz CUMKNTGTQDAAIP-OAHLLOKOSA-N 1 3 384.549 3.521 20 0 GHADHO C[NH+](C)CCCOc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000649722606 916358690 /nfs/dbraw/zinc/35/86/90/916358690.db2.gz QKHUHRBGAWCCMO-IRXDYDNUSA-N 1 3 388.430 3.703 20 0 GHADHO C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000649772108 916391348 /nfs/dbraw/zinc/39/13/48/916391348.db2.gz BPHGKYPRUAIDII-KRWDZBQOSA-N 1 3 377.960 3.510 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@](C)(CC)c3ccccc3)cc2)CC1 ZINC000775388970 917349830 /nfs/dbraw/zinc/34/98/30/917349830.db2.gz VSXKTAOLOYDFCX-XMMPIXPASA-N 1 3 394.563 3.682 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1CN1CCCCC1 ZINC000775392972 917377852 /nfs/dbraw/zinc/37/78/52/917377852.db2.gz JBATYVVILKZXFC-CVDCTZTESA-N 1 3 382.548 3.935 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cc1CN1CCCCC1 ZINC000775402085 917456525 /nfs/dbraw/zinc/45/65/25/917456525.db2.gz YSBOPBQWDZRICJ-OALUTQOASA-N 1 3 386.536 3.776 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CCCc2nc(Cl)ccc21 ZINC000296346934 918164526 /nfs/dbraw/zinc/16/45/26/918164526.db2.gz HGAFQYCKNJPRRR-ICSRJNTNSA-N 1 3 385.939 3.859 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCCc2nc(Cl)ccc21 ZINC000296346934 918164533 /nfs/dbraw/zinc/16/45/33/918164533.db2.gz HGAFQYCKNJPRRR-ICSRJNTNSA-N 1 3 385.939 3.859 20 0 GHADHO Cc1cc(Cl)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000297451811 919341700 /nfs/dbraw/zinc/34/17/00/919341700.db2.gz QLNIFSJPNOZYCV-UHFFFAOYSA-N 1 3 378.948 3.637 20 0 GHADHO CN1CCC(N(Cc2ccco2)C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000298338954 920420297 /nfs/dbraw/zinc/42/02/97/920420297.db2.gz ZYCSBFQUKANDBG-UHFFFAOYSA-N 1 3 381.520 3.612 20 0 GHADHO CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCc2cncn2C)CC1 ZINC000298463443 920565424 /nfs/dbraw/zinc/56/54/24/920565424.db2.gz OMIBKFJHPNDRSM-UHFFFAOYSA-N 1 3 380.458 3.578 20 0 GHADHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000902500728 922242017 /nfs/dbraw/zinc/24/20/17/922242017.db2.gz HAWWTZGFOCNXIY-MZKRTTBSSA-N 1 3 380.488 3.770 20 0 GHADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1cc(F)ccc1Oc1cncc(Cl)c1 ZINC000902815706 922521737 /nfs/dbraw/zinc/52/17/37/922521737.db2.gz WBWPRLNYMWESEJ-CQSZACIVSA-N 1 3 393.890 3.774 20 0 GHADHO Brc1cnn(CCCC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000368444347 922677930 /nfs/dbraw/zinc/67/79/30/922677930.db2.gz YRSMBEZACWFSFF-UHFFFAOYSA-N 1 3 383.378 3.813 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903175105 922832711 /nfs/dbraw/zinc/83/27/11/922832711.db2.gz PTMFDBNSSMPRAN-DQXYTYHJSA-N 1 3 375.557 3.523 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903175105 922832719 /nfs/dbraw/zinc/83/27/19/922832719.db2.gz PTMFDBNSSMPRAN-DQXYTYHJSA-N 1 3 375.557 3.523 20 0 GHADHO CC(=O)OCc1cccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000903200137 922848814 /nfs/dbraw/zinc/84/88/14/922848814.db2.gz OXAVNTUSUSYSJH-SFHVURJKSA-N 1 3 381.520 3.708 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495933 923073674 /nfs/dbraw/zinc/07/36/74/923073674.db2.gz CJLYTGJZFXLMPM-GRYCIOLGSA-N 1 3 377.838 3.603 20 0 GHADHO COc1cc(C[NH2+]C[C@@H]2CNCCC2(F)F)ccc1OCc1ccccc1 ZINC000903956091 923435605 /nfs/dbraw/zinc/43/56/05/923435605.db2.gz GSKOUBRLJMPLNE-SFHVURJKSA-N 1 3 376.447 3.609 20 0 GHADHO Cc1cccc(N2CC[NH+](CCCCNCc3nc4c(s3)CCC4)CC2)c1 ZINC000678497633 924799519 /nfs/dbraw/zinc/79/95/19/924799519.db2.gz XUAPMWMIRGMEOZ-UHFFFAOYSA-N 1 3 384.593 3.632 20 0 GHADHO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000678588600 924831698 /nfs/dbraw/zinc/83/16/98/924831698.db2.gz BIWQAURKZDBUMZ-HSZRJFAPSA-N 1 3 377.532 3.598 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3[nH]nc4ccccc43)C[C@H]21 ZINC001137348556 924904531 /nfs/dbraw/zinc/90/45/31/924904531.db2.gz BQQTWDLUWINHII-XTQVGHSUSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3[nH]nc4ccccc43)C[C@H]21 ZINC001137348556 924904533 /nfs/dbraw/zinc/90/45/33/924904533.db2.gz BQQTWDLUWINHII-XTQVGHSUSA-N 1 3 375.520 3.690 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@]3(CO)CCCN(Cc4ccccc4)C3)CC2)C1 ZINC000679042402 925006937 /nfs/dbraw/zinc/00/69/37/925006937.db2.gz BFXGGLQFGTZLGY-IEZKXTBUSA-N 1 3 399.623 3.646 20 0 GHADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(-n3ccnn3)cc1)CC2 ZINC001137362699 925015126 /nfs/dbraw/zinc/01/51/26/925015126.db2.gz UJMNNLALMRYSPH-QFIPXVFZSA-N 1 3 391.519 3.737 20 0 GHADHO COc1ccc([C@@H](N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccc(F)cc2)cc1 ZINC000679339323 925099975 /nfs/dbraw/zinc/09/99/75/925099975.db2.gz HIRXMEGUBQDGBF-URXFXBBRSA-N 1 3 397.538 3.682 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)c1 ZINC000827315159 925264409 /nfs/dbraw/zinc/26/44/09/925264409.db2.gz NXKGWOGCVIFQSP-LJQANCHMSA-N 1 3 388.943 3.592 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000373141201 925884568 /nfs/dbraw/zinc/88/45/68/925884568.db2.gz UMFLXHPJGPMPAL-GHTZIAJQSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000373141201 925884572 /nfs/dbraw/zinc/88/45/72/925884572.db2.gz UMFLXHPJGPMPAL-GHTZIAJQSA-N 1 3 376.504 3.779 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3cc(Cl)cc4cccnc43)CC2)CC1 ZINC000373253460 925966690 /nfs/dbraw/zinc/96/66/90/925966690.db2.gz ALMMHNPXSAGBSG-UHFFFAOYSA-N 1 3 386.971 3.738 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@](C)(Cc2ccccc2)c2ccccc2)CC1 ZINC000412099859 927096991 /nfs/dbraw/zinc/09/69/91/927096991.db2.gz RAZZXNRFQZANFS-VWLOTQADSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000467685261 929302033 /nfs/dbraw/zinc/30/20/33/929302033.db2.gz GIKKUUMJDBMJJS-YKSBVNFPSA-N 1 3 391.559 3.678 20 0 GHADHO CC[C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+](CC)CC ZINC000469208006 929690684 /nfs/dbraw/zinc/69/06/84/929690684.db2.gz YWJJCPCTQJJREO-HXUWFJFHSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000470378393 930572165 /nfs/dbraw/zinc/57/21/65/930572165.db2.gz ZUXFBQROCBPQQJ-ROUUACIJSA-N 1 3 377.532 3.698 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000557669712 931603347 /nfs/dbraw/zinc/60/33/47/931603347.db2.gz LCKFMDIUXONRHR-QHCPKHFHSA-N 1 3 399.623 3.814 20 0 GHADHO C[C@@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(Br)ncc1F ZINC000925887201 931937003 /nfs/dbraw/zinc/93/70/03/931937003.db2.gz VBHLUZANWJOHKJ-DFHBCGBQSA-N 1 3 378.289 3.693 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124074 932056132 /nfs/dbraw/zinc/05/61/32/932056132.db2.gz FVMGIFCRJRVRQL-JPYJTQIMSA-N 1 3 382.548 3.722 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124074 932056136 /nfs/dbraw/zinc/05/61/36/932056136.db2.gz FVMGIFCRJRVRQL-JPYJTQIMSA-N 1 3 382.548 3.722 20 0 GHADHO CC[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)N1CCc2ccccc2C1 ZINC000558821325 932253512 /nfs/dbraw/zinc/25/35/12/932253512.db2.gz XONKSKMDZBBACU-DEOSSOPVSA-N 1 3 391.559 3.849 20 0 GHADHO C[C@H](NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnn1C1CCC1 ZINC000926855348 932328817 /nfs/dbraw/zinc/32/88/17/932328817.db2.gz JVLHGUCVERWLKB-IBGZPJMESA-N 1 3 382.552 3.676 20 0 GHADHO CCCN1CCC([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 ZINC000798270326 932585001 /nfs/dbraw/zinc/58/50/01/932585001.db2.gz NECWCSKYJKLLBH-IBGZPJMESA-N 1 3 391.556 3.725 20 0 GHADHO CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000559326908 932601832 /nfs/dbraw/zinc/60/18/32/932601832.db2.gz ROGDQRVFAXWDEA-DNVJHFABSA-N 1 3 386.580 3.710 20 0 GHADHO C[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933993 932821820 /nfs/dbraw/zinc/82/18/20/932821820.db2.gz ALZOKYBVBBLMGI-DVECYGJZSA-N 1 3 392.547 3.779 20 0 GHADHO C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933993 932821831 /nfs/dbraw/zinc/82/18/31/932821831.db2.gz ALZOKYBVBBLMGI-DVECYGJZSA-N 1 3 392.547 3.779 20 0 GHADHO C[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933995 932822258 /nfs/dbraw/zinc/82/22/58/932822258.db2.gz ALZOKYBVBBLMGI-YADARESESA-N 1 3 392.547 3.779 20 0 GHADHO C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933995 932822264 /nfs/dbraw/zinc/82/22/64/932822264.db2.gz ALZOKYBVBBLMGI-YADARESESA-N 1 3 392.547 3.779 20 0 GHADHO CC1CC[NH+](CCCNC[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000560823730 933588350 /nfs/dbraw/zinc/58/83/50/933588350.db2.gz RRMKBICMZSABIJ-HXUWFJFHSA-N 1 3 379.548 3.867 20 0 GHADHO CC1CCN(CCC[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000560823730 933588357 /nfs/dbraw/zinc/58/83/57/933588357.db2.gz RRMKBICMZSABIJ-HXUWFJFHSA-N 1 3 379.548 3.867 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001117726873 933997820 /nfs/dbraw/zinc/99/78/20/933997820.db2.gz LXWHGQWMDSXCOD-WVUPVLJSSA-N 1 3 383.580 3.953 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117726873 933997828 /nfs/dbraw/zinc/99/78/28/933997828.db2.gz LXWHGQWMDSXCOD-WVUPVLJSSA-N 1 3 383.580 3.953 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)nc1)CC2 ZINC001137738210 935760065 /nfs/dbraw/zinc/76/00/65/935760065.db2.gz PHXMGQCYXZXOMR-KRWDZBQOSA-N 1 3 375.513 3.538 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)nc1)CC2 ZINC001137738210 935760067 /nfs/dbraw/zinc/76/00/67/935760067.db2.gz PHXMGQCYXZXOMR-KRWDZBQOSA-N 1 3 375.513 3.538 20 0 GHADHO CC(C)(O)c1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000830172939 935909009 /nfs/dbraw/zinc/90/90/09/935909009.db2.gz MXKNPBJOCAWADI-UHFFFAOYSA-N 1 3 395.591 3.602 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3C)CC2)CC1 ZINC000830368455 935936488 /nfs/dbraw/zinc/93/64/88/935936488.db2.gz UXXQKLKMGFVRMP-KRWDZBQOSA-N 1 3 375.532 3.508 20 0 GHADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001221071152 1032266381 /nfs/dbraw/zinc/26/63/81/1032266381.db2.gz KHPIGPDYFDWFIQ-RTBURBONSA-N 1 3 392.613 3.645 20 0 GHADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001221071152 1032266395 /nfs/dbraw/zinc/26/63/95/1032266395.db2.gz KHPIGPDYFDWFIQ-RTBURBONSA-N 1 3 392.613 3.645 20 0 GHADHO CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001227447854 1032423885 /nfs/dbraw/zinc/42/38/85/1032423885.db2.gz WIPNAQIAXPRQSN-RTWAWAEBSA-N 1 3 388.600 3.659 20 0 GHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC001221913990 1032571785 /nfs/dbraw/zinc/57/17/85/1032571785.db2.gz YEXBPVMKOPDWDA-YLJYHZDGSA-N 1 3 392.563 3.628 20 0 GHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC001221913990 1032571788 /nfs/dbraw/zinc/57/17/88/1032571788.db2.gz YEXBPVMKOPDWDA-YLJYHZDGSA-N 1 3 392.563 3.628 20 0 GHADHO CN(C)C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643686 1032619334 /nfs/dbraw/zinc/61/93/34/1032619334.db2.gz SGHOWRUAAYWGHT-IFMALSPDSA-N 1 3 399.966 3.971 20 0 GHADHO CN(C)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643686 1032619339 /nfs/dbraw/zinc/61/93/39/1032619339.db2.gz SGHOWRUAAYWGHT-IFMALSPDSA-N 1 3 399.966 3.971 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1cc(F)cc(F)c1)CC2 ZINC001204229156 1032675026 /nfs/dbraw/zinc/67/50/26/1032675026.db2.gz AAZNBLIVOCCIOW-NRFANRHFSA-N 1 3 387.474 3.615 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1cc(F)cc(F)c1)CC2 ZINC001204229156 1032675035 /nfs/dbraw/zinc/67/50/35/1032675035.db2.gz AAZNBLIVOCCIOW-NRFANRHFSA-N 1 3 387.474 3.615 20 0 GHADHO COc1ccccc1O[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204268244 1032711573 /nfs/dbraw/zinc/71/15/73/1032711573.db2.gz GZRSQAVBKVCJHM-NRFANRHFSA-N 1 3 384.520 3.679 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000560928872 1017754099 /nfs/dbraw/zinc/75/40/99/1017754099.db2.gz UNSTZLNVJHZFNK-QGZVFWFLSA-N 1 3 394.401 3.733 20 0 GHADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1Cc1ccc(-n2cncn2)c(F)c1 ZINC000568627454 1019430663 /nfs/dbraw/zinc/43/06/63/1019430663.db2.gz AHJGUJKMOBSUQZ-RBBKRZOGSA-N 1 3 393.510 3.579 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(CSC)c3)CC2)CC1 ZINC000578081343 1020320583 /nfs/dbraw/zinc/32/05/83/1020320583.db2.gz SITOXQNNUMQTNR-UHFFFAOYSA-N 1 3 375.582 3.684 20 0 GHADHO C[NH+](C)CCCC1CCN(C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001204542497 1032961665 /nfs/dbraw/zinc/96/16/65/1032961665.db2.gz FYVMVSWBMICKSW-INIZCTEOSA-N 1 3 377.520 3.589 20 0 GHADHO Cc1c(C[C@H](CN)C[NH2+]CC[C@@H](C)c2cccc(C(F)(F)F)c2)cnn1C ZINC000903922570 1021653410 /nfs/dbraw/zinc/65/34/10/1021653410.db2.gz ZTKOAJZUTZGFKH-GDBMZVCRSA-N 1 3 382.474 3.648 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)CC1 ZINC001140568892 1021986165 /nfs/dbraw/zinc/98/61/65/1021986165.db2.gz SADANANYQMPCGV-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c(N)cccc1F)CC2 ZINC001140874275 1022762669 /nfs/dbraw/zinc/76/26/69/1022762669.db2.gz PKMPTFNVJBDWJD-IBGZPJMESA-N 1 3 383.511 3.663 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c(N)cccc1F)CC2 ZINC001140874275 1022762680 /nfs/dbraw/zinc/76/26/80/1022762680.db2.gz PKMPTFNVJBDWJD-IBGZPJMESA-N 1 3 383.511 3.663 20 0 GHADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001138297194 1024579859 /nfs/dbraw/zinc/57/98/59/1024579859.db2.gz SQWSCRRPQHCHNZ-NRFANRHFSA-N 1 3 385.596 3.664 20 0 GHADHO CC(C)(C)Oc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001202840087 1024982807 /nfs/dbraw/zinc/98/28/07/1024982807.db2.gz NEFLMNUYEHOWQX-UHFFFAOYSA-N 1 3 382.548 3.981 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 ZINC001138769801 1025338856 /nfs/dbraw/zinc/33/88/56/1025338856.db2.gz ICTYUVFOMATUAG-UHFFFAOYSA-N 1 3 388.939 3.764 20 0 GHADHO CCOc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)c(OCC)c1 ZINC001138977739 1025703728 /nfs/dbraw/zinc/70/37/28/1025703728.db2.gz XCHZKKVYZSXWIT-UHFFFAOYSA-N 1 3 390.568 3.808 20 0 GHADHO [NH3+]C1CCN(c2cccc(N[C@H](c3cccnc3C(F)(F)F)C3CC3)n2)CC1 ZINC001163392441 1026176877 /nfs/dbraw/zinc/17/68/77/1026176877.db2.gz VSKYEECVBKCFEB-SFHVURJKSA-N 1 3 391.441 3.986 20 0 GHADHO CCOC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3ccc4cc(O)ccc4c3)CC2)C1 ZINC001139335975 1026198463 /nfs/dbraw/zinc/19/84/63/1026198463.db2.gz HJGKQKYTBOZDPO-OAQYLSRUSA-N 1 3 396.531 3.785 20 0 GHADHO C[NH+](C)[C@H]1CCCN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139513221 1026367033 /nfs/dbraw/zinc/36/70/33/1026367033.db2.gz PBEJLJPGNSFIRW-DEOSSOPVSA-N 1 3 392.591 3.535 20 0 GHADHO CN(C)C1(CNc2ccc(NC(=O)Oc3ccccc3)cc2)CC[NH+](C)CC1 ZINC001164216424 1026455645 /nfs/dbraw/zinc/45/56/45/1026455645.db2.gz AKISMFFULITSGY-UHFFFAOYSA-N 1 3 382.508 3.735 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)N2CCc3ccccc32)CC1 ZINC001461134038 1069407916 /nfs/dbraw/zinc/40/79/16/1069407916.db2.gz XSMLLYBLBPWNQL-NRFANRHFSA-N 1 3 392.591 3.759 20 0 GHADHO C[Si](C)(C)CCOC[NH2+][C@H]1CCCN(c2ncccc2CN2CCCC2)C1 ZINC001165184746 1026652862 /nfs/dbraw/zinc/65/28/62/1026652862.db2.gz RYPZJQNHYUIMGZ-FQEVSTJZSA-N 1 3 390.648 3.548 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNCc3ccccc3-n3cncn3)c2)CC1 ZINC001461173148 1069425476 /nfs/dbraw/zinc/42/54/76/1069425476.db2.gz WKBNRVQKFKBQIM-UHFFFAOYSA-N 1 3 375.520 3.789 20 0 GHADHO c1[nH]nc(-c2ccccc2)c1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001461195484 1069436184 /nfs/dbraw/zinc/43/61/84/1069436184.db2.gz MAEFTSCBCIUPRB-UHFFFAOYSA-N 1 3 376.504 3.841 20 0 GHADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166890059 1027136183 /nfs/dbraw/zinc/13/61/83/1027136183.db2.gz WFWMBCKNFQBFQJ-HXUWFJFHSA-N 1 3 395.551 3.774 20 0 GHADHO C[C@@H]1Cc2cc(CNCc3c(Cl)cccc3N3CC[NH+](C)CC3)ccc2O1 ZINC001203597801 1027463040 /nfs/dbraw/zinc/46/30/40/1027463040.db2.gz LABPYTSGRRCZOI-MRXNPFEDSA-N 1 3 385.939 3.705 20 0 GHADHO C[C@H]1Cc2cc(CNCc3c(Cl)cccc3N3CC[NH+](C)CC3)ccc2O1 ZINC001203597800 1027463673 /nfs/dbraw/zinc/46/36/73/1027463673.db2.gz LABPYTSGRRCZOI-INIZCTEOSA-N 1 3 385.939 3.705 20 0 GHADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001210837303 1027672030 /nfs/dbraw/zinc/67/20/30/1027672030.db2.gz PMHRHEIBWPRIKK-QFIPXVFZSA-N 1 3 398.595 3.749 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cccc3c1OCO3)CC2 ZINC001141951766 1027734384 /nfs/dbraw/zinc/73/43/84/1027734384.db2.gz NEBRDBPYOZWKBH-UHFFFAOYSA-N 1 3 379.504 3.687 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cccc3c1OCO3)CC2 ZINC001141951766 1027734402 /nfs/dbraw/zinc/73/44/02/1027734402.db2.gz NEBRDBPYOZWKBH-UHFFFAOYSA-N 1 3 379.504 3.687 20 0 GHADHO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000841079253 1028101397 /nfs/dbraw/zinc/10/13/97/1028101397.db2.gz KJOBKZVCGVBNNM-KRWDZBQOSA-N 1 3 379.335 3.778 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2cccn4ccnc24)CC3)c1 ZINC001142952549 1029728379 /nfs/dbraw/zinc/72/83/79/1029728379.db2.gz WTAJPCOYFXCQQC-UHFFFAOYSA-N 1 3 390.531 3.831 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2cccn4ccnc24)CC3)c1 ZINC001142952549 1029728390 /nfs/dbraw/zinc/72/83/90/1029728390.db2.gz WTAJPCOYFXCQQC-UHFFFAOYSA-N 1 3 390.531 3.831 20 0 GHADHO CS(=O)(=O)c1cccc([C@H](NCCCCCC[NH3+])c2ccc(Cl)cc2)c1 ZINC000843341926 1029926785 /nfs/dbraw/zinc/92/67/85/1029926785.db2.gz LURUDLGOCGTEJL-HXUWFJFHSA-N 1 3 394.968 3.942 20 0 GHADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000843364184 1029941000 /nfs/dbraw/zinc/94/10/00/1029941000.db2.gz QFIWHEWFOINCEJ-JOCHJYFZSA-N 1 3 397.950 3.621 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426754 1029997890 /nfs/dbraw/zinc/99/78/90/1029997890.db2.gz JMGPZKIDISLMRB-WLRLJWMZSA-N 1 3 387.568 3.567 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426754 1029997894 /nfs/dbraw/zinc/99/78/94/1029997894.db2.gz JMGPZKIDISLMRB-WLRLJWMZSA-N 1 3 387.568 3.567 20 0 GHADHO CCOC(=O)[C@H]1CC2(CN1C[C@@H](C)c1cccc3ccccc31)CC[NH2+]CC2 ZINC001222216133 1030011816 /nfs/dbraw/zinc/01/18/16/1030011816.db2.gz XFQKMNQEHFDMDT-XMSQKQJNSA-N 1 3 380.532 3.951 20 0 GHADHO Cn1cc(CN2CCC3(CCC[NH2+]C3)CC2)c2cc(Br)ccc21 ZINC001222452811 1030140507 /nfs/dbraw/zinc/14/05/07/1030140507.db2.gz KHVYMKFGZQIOSI-UHFFFAOYSA-N 1 3 376.342 3.906 20 0 GHADHO C[C@@H]1C[C@@H](C[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)C[C@H](C)O1 ZINC001222574626 1030205798 /nfs/dbraw/zinc/20/57/98/1030205798.db2.gz IJMZELVQXQSHIC-MQFRRQCYSA-N 1 3 386.580 3.993 20 0 GHADHO C[C@@H]1C[C@@H](C[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)C[C@H](C)O1 ZINC001222574626 1030205812 /nfs/dbraw/zinc/20/58/12/1030205812.db2.gz IJMZELVQXQSHIC-MQFRRQCYSA-N 1 3 386.580 3.993 20 0 GHADHO COc1ccc(-c2ccncc2)c(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222615437 1030238951 /nfs/dbraw/zinc/23/89/51/1030238951.db2.gz PZGAGQZLRVCLQI-DEOSSOPVSA-N 1 3 385.511 3.946 20 0 GHADHO COc1ccc(-c2ccncc2)c(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222615437 1030238969 /nfs/dbraw/zinc/23/89/69/1030238969.db2.gz PZGAGQZLRVCLQI-DEOSSOPVSA-N 1 3 385.511 3.946 20 0 GHADHO COc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OCc2ccccc2)cc1OC ZINC001222623566 1030245871 /nfs/dbraw/zinc/24/58/71/1030245871.db2.gz MQHYRESJXZTQQZ-BGYRXZFFSA-N 1 3 396.531 3.714 20 0 GHADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001224900921 1031170051 /nfs/dbraw/zinc/17/00/51/1031170051.db2.gz WIDXXALSGOPBBU-HJNYFJLDSA-N 1 3 386.584 3.632 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2nc(C(F)(F)F)ccc2c1 ZINC001218964835 1031183017 /nfs/dbraw/zinc/18/30/17/1031183017.db2.gz CTQBGXHVOKYGQA-HNNXBMFYSA-N 1 3 382.430 3.688 20 0 GHADHO CN1Cc2c(NC(=O)C[C@@H]([NH3+])COC(C)(C)C)cccc2[C@@H](c2ccccc2)C1 ZINC001219046854 1031228370 /nfs/dbraw/zinc/22/83/70/1031228370.db2.gz KNPUUERVMSZISG-UYAOXDASSA-N 1 3 395.547 3.735 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001225756514 1031584577 /nfs/dbraw/zinc/58/45/77/1031584577.db2.gz NCVFNIJINMGUHR-UHFFFAOYSA-N 1 3 392.632 3.939 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001219940920 1031707517 /nfs/dbraw/zinc/70/75/17/1031707517.db2.gz IGQJYUMBNPOWGP-QTJGBDASSA-N 1 3 391.559 3.898 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001219940920 1031707532 /nfs/dbraw/zinc/70/75/32/1031707532.db2.gz IGQJYUMBNPOWGP-QTJGBDASSA-N 1 3 391.559 3.898 20 0 GHADHO C[C@@H](CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001154078140 1031915122 /nfs/dbraw/zinc/91/51/22/1031915122.db2.gz KXXYOOIXUBVJCY-SFTDATJTSA-N 1 3 385.596 3.710 20 0 GHADHO C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849300 1069790543 /nfs/dbraw/zinc/79/05/43/1069790543.db2.gz HNKDMZNDYYXRDZ-AQNXPRMDSA-N 1 3 379.589 3.830 20 0 GHADHO C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849300 1069790546 /nfs/dbraw/zinc/79/05/46/1069790546.db2.gz HNKDMZNDYYXRDZ-AQNXPRMDSA-N 1 3 379.589 3.830 20 0 GHADHO N[C@H]1CC[N@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@H]1F ZINC001206166259 1033749192 /nfs/dbraw/zinc/74/91/92/1033749192.db2.gz RMTPOKIMLKKNAQ-MSOLQXFVSA-N 1 3 378.289 3.772 20 0 GHADHO N[C@H]1CC[N@@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@H]1F ZINC001206166259 1033749205 /nfs/dbraw/zinc/74/92/05/1033749205.db2.gz RMTPOKIMLKKNAQ-MSOLQXFVSA-N 1 3 378.289 3.772 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCCN2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289443 1034240344 /nfs/dbraw/zinc/24/03/44/1034240344.db2.gz NVJKWYXQQQLVNO-UHFFFAOYSA-N 1 3 399.579 3.984 20 0 GHADHO COc1ccc(CC[NH+]2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)cc1 ZINC001207479844 1034389772 /nfs/dbraw/zinc/38/97/72/1034389772.db2.gz UVIUMWRQJJLVHQ-HSZRJFAPSA-N 1 3 394.559 3.993 20 0 GHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001159207604 1034483769 /nfs/dbraw/zinc/48/37/69/1034483769.db2.gz HSQCFFWGMUPCNE-FYYLOGMGSA-N 1 3 387.612 3.766 20 0 GHADHO COc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)CC3 ZINC001207614011 1034490360 /nfs/dbraw/zinc/49/03/60/1034490360.db2.gz WIFOKTRDPBHBEN-LAUBAEHRSA-N 1 3 378.520 3.711 20 0 GHADHO [NH3+]C1CCN(c2ncccc2Nc2cccc(CN3CCCCC3)c2F)CC1 ZINC001159261805 1034509561 /nfs/dbraw/zinc/50/95/61/1034509561.db2.gz OVZUIXGHVVURLT-UHFFFAOYSA-N 1 3 383.515 3.878 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cccc(N4CCOCC4)n2)C3)cc1 ZINC001159292986 1034527883 /nfs/dbraw/zinc/52/78/83/1034527883.db2.gz AUSUVHFGTSKCSK-MZADTFQBSA-N 1 3 378.520 3.526 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cccc(N4CCOCC4)n2)C3)cc1 ZINC001159292986 1034527894 /nfs/dbraw/zinc/52/78/94/1034527894.db2.gz AUSUVHFGTSKCSK-MZADTFQBSA-N 1 3 378.520 3.526 20 0 GHADHO COCc1ccc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC001231691102 1034840914 /nfs/dbraw/zinc/84/09/14/1034840914.db2.gz HLZSZVWBFYMAPS-HXUWFJFHSA-N 1 3 384.520 3.682 20 0 GHADHO COCc1ccc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC001231691102 1034840926 /nfs/dbraw/zinc/84/09/26/1034840926.db2.gz HLZSZVWBFYMAPS-HXUWFJFHSA-N 1 3 384.520 3.682 20 0 GHADHO COC(=O)[C@H](C)Oc1ccccc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC001461929895 1069894427 /nfs/dbraw/zinc/89/44/27/1069894427.db2.gz WTWYCOIXWDEQLF-IBGZPJMESA-N 1 3 388.552 3.715 20 0 GHADHO C[C@@H]1CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943249 1035113654 /nfs/dbraw/zinc/11/36/54/1035113654.db2.gz SLOYVMRRHBYOAG-TZIWHRDSSA-N 1 3 387.568 3.840 20 0 GHADHO C[C@@H]1CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943249 1035113659 /nfs/dbraw/zinc/11/36/59/1035113659.db2.gz SLOYVMRRHBYOAG-TZIWHRDSSA-N 1 3 387.568 3.840 20 0 GHADHO c1cc(C[N@H+]2CCC3(C2)CCN(Cc2cnc(-c4cccnc4)o2)CC3)co1 ZINC001232132253 1035114591 /nfs/dbraw/zinc/11/45/91/1035114591.db2.gz ORNGKRYXAPTCTN-UHFFFAOYSA-N 1 3 378.476 3.818 20 0 GHADHO c1cc(C[N@@H+]2CCC3(C2)CCN(Cc2cnc(-c4cccnc4)o2)CC3)co1 ZINC001232132253 1035114594 /nfs/dbraw/zinc/11/45/94/1035114594.db2.gz ORNGKRYXAPTCTN-UHFFFAOYSA-N 1 3 378.476 3.818 20 0 GHADHO CCN(Cc1cc(F)cc(C[NH+](C)C)c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001232151973 1035130178 /nfs/dbraw/zinc/13/01/78/1035130178.db2.gz SFKPVWPOTKRHBW-DEOSSOPVSA-N 1 3 399.554 3.610 20 0 GHADHO Cn1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C2CC2)n1 ZINC001232169449 1035142121 /nfs/dbraw/zinc/14/21/21/1035142121.db2.gz ATDOJXXGGNJEBS-QFIPXVFZSA-N 1 3 394.563 3.553 20 0 GHADHO Cn1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C2CC2)n1 ZINC001232169449 1035142123 /nfs/dbraw/zinc/14/21/23/1035142123.db2.gz ATDOJXXGGNJEBS-QFIPXVFZSA-N 1 3 394.563 3.553 20 0 GHADHO C[C@@H]1[C@@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232011 1035186827 /nfs/dbraw/zinc/18/68/27/1035186827.db2.gz WYAINZVDKWQZAB-GJPOJAMWSA-N 1 3 391.559 3.695 20 0 GHADHO C[C@@H]1[C@@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232011 1035186832 /nfs/dbraw/zinc/18/68/32/1035186832.db2.gz WYAINZVDKWQZAB-GJPOJAMWSA-N 1 3 391.559 3.695 20 0 GHADHO CN(C)CCN(C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161449890 1035233646 /nfs/dbraw/zinc/23/36/46/1035233646.db2.gz UYXKVWOMJBZFSG-JOCHJYFZSA-N 1 3 390.531 3.591 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H](Nc3ncc4c(n3)CCNC4)[C@@H](c3ccccc3)C2)cc1 ZINC001161458565 1035235634 /nfs/dbraw/zinc/23/56/34/1035235634.db2.gz VHSBONQOSMVTIV-ISKFKSNPSA-N 1 3 399.542 3.593 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H](Nc3ncc4c(n3)CCNC4)[C@@H](c3ccccc3)C2)cc1 ZINC001161458565 1035235636 /nfs/dbraw/zinc/23/56/36/1035235636.db2.gz VHSBONQOSMVTIV-ISKFKSNPSA-N 1 3 399.542 3.593 20 0 GHADHO COc1cccc(-c2nn(C)c3c2[C@H]2CN(CCC[NH+]4CCCCC4)C[C@H]2C3)c1 ZINC001209450941 1035276765 /nfs/dbraw/zinc/27/67/65/1035276765.db2.gz DVVRCTYZWPPGQN-CTNGQTDRSA-N 1 3 394.563 3.543 20 0 GHADHO CCN1CCN(c2ccc(-c3ccc(COC4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001241743821 1035669120 /nfs/dbraw/zinc/66/91/20/1035669120.db2.gz ISOZNZQHGSRSJT-UHFFFAOYSA-N 1 3 379.548 3.764 20 0 GHADHO CC(C)C[C@H]([NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001245997915 1037119323 /nfs/dbraw/zinc/11/93/23/1037119323.db2.gz ZPWUOWOQRCOFIY-PCCBWWKXSA-N 1 3 380.454 3.712 20 0 GHADHO C[C@@](O)(CNC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1)c1ccccc1 ZINC001246002250 1037121771 /nfs/dbraw/zinc/12/17/71/1037121771.db2.gz ASRMQCWYHNXAQB-HXUWFJFHSA-N 1 3 392.465 3.867 20 0 GHADHO C[C@@](O)(C[NH2+]C1(Cc2cccc(C(F)(F)F)c2)CCNCC1)c1ccccc1 ZINC001246002250 1037121783 /nfs/dbraw/zinc/12/17/83/1037121783.db2.gz ASRMQCWYHNXAQB-HXUWFJFHSA-N 1 3 392.465 3.867 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC001246017210 1037135918 /nfs/dbraw/zinc/13/59/18/1037135918.db2.gz XJQGPEYTXOQCTE-SLFFLAALSA-N 1 3 380.866 3.516 20 0 GHADHO CC(C)(C)Oc1ccc([C@@H]2CC[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246066278 1037178651 /nfs/dbraw/zinc/17/86/51/1037178651.db2.gz SZQWGGAQLFEPFH-AKIFATBCSA-N 1 3 382.548 3.584 20 0 GHADHO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246066278 1037178660 /nfs/dbraw/zinc/17/86/60/1037178660.db2.gz SZQWGGAQLFEPFH-AKIFATBCSA-N 1 3 382.548 3.584 20 0 GHADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)CC21CC[NH2+]CC1 ZINC001246132902 1037210321 /nfs/dbraw/zinc/21/03/21/1037210321.db2.gz IONXMLQXQPTRLB-PGRDOPGGSA-N 1 3 398.572 3.513 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc1 ZINC001246190705 1037230291 /nfs/dbraw/zinc/23/02/91/1037230291.db2.gz MFJSVPNIQRQSPO-IRLDBZIGSA-N 1 3 384.495 3.823 20 0 GHADHO Fc1cc(F)cc(CN2CCC([NH2+][C@@H]3CCN[C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246357573 1037315966 /nfs/dbraw/zinc/31/59/66/1037315966.db2.gz BEMYENKENNHLNN-DNQXCXABSA-N 1 3 399.529 3.882 20 0 GHADHO CCCC[C@H]1C[C@H]([NH2+]C2CCN(Cc3cc(F)c(F)c(F)c3)CC2)CCN1 ZINC001246359245 1037317880 /nfs/dbraw/zinc/31/78/80/1037317880.db2.gz MPDFDHOMHKPISS-ZWKOTPCHSA-N 1 3 383.502 3.969 20 0 GHADHO CCOC(=O)CCc1ccc(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246363855 1037324448 /nfs/dbraw/zinc/32/44/48/1037324448.db2.gz TTXMTNWZRGNTJD-PKTZIBPZSA-N 1 3 380.532 3.635 20 0 GHADHO CC(C)[C@H]1C[C@H](NCC2(c3ccccc3Br)CCOCC2)CC[NH2+]1 ZINC001246373150 1037330037 /nfs/dbraw/zinc/33/00/37/1037330037.db2.gz IHNHRRZRKYXKPC-VQIMIIECSA-N 1 3 395.385 3.864 20 0 GHADHO CC(C)[C@@H]1C[C@H](NCC2(c3ccccc3Br)CCOCC2)CC[NH2+]1 ZINC001246373147 1037330242 /nfs/dbraw/zinc/33/02/42/1037330242.db2.gz IHNHRRZRKYXKPC-APWZRJJASA-N 1 3 395.385 3.864 20 0 GHADHO COc1ccccc1C1([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CCNCC1 ZINC001246376830 1037335277 /nfs/dbraw/zinc/33/52/77/1037335277.db2.gz NYCPKVPLTTZEFE-UHFFFAOYSA-N 1 3 388.552 3.764 20 0 GHADHO C(C1CC1)C1([NH2+]C2CCC(C3CCC4(CC3)OCCO4)CC2)CCNCC1 ZINC001246380173 1037339175 /nfs/dbraw/zinc/33/91/75/1037339175.db2.gz GOENXBDLESAGEV-UHFFFAOYSA-N 1 3 376.585 3.990 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)CC1 ZINC001246379757 1037339344 /nfs/dbraw/zinc/33/93/44/1037339344.db2.gz CDJBCOMZWLIEAE-SJLPKXTDSA-N 1 3 378.944 3.716 20 0 GHADHO CCn1c2ccccc2nc1N1CCC([NH2+][C@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246405270 1037361601 /nfs/dbraw/zinc/36/16/01/1037361601.db2.gz KHWVNEKKLKVIBU-GHTZIAJQSA-N 1 3 383.584 3.781 20 0 GHADHO CC1(C)C[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CCN1 ZINC001246416488 1037373925 /nfs/dbraw/zinc/37/39/25/1037373925.db2.gz REFDOJJGRILRNE-GOSISDBHSA-N 1 3 395.385 3.909 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2ccccc2OC)CCNCC1 ZINC001246426564 1037384498 /nfs/dbraw/zinc/38/44/98/1037384498.db2.gz RUTLZOMUDJBDMB-HXUWFJFHSA-N 1 3 396.531 3.700 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H](NC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246428705 1037387255 /nfs/dbraw/zinc/38/72/55/1037387255.db2.gz BUPRWPQIKVBVFE-SJLPKXTDSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCNCC2)C1 ZINC001246428705 1037387275 /nfs/dbraw/zinc/38/72/75/1037387275.db2.gz BUPRWPQIKVBVFE-SJLPKXTDSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)CC[C@@H](C)NC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001246430486 1037391916 /nfs/dbraw/zinc/39/19/16/1037391916.db2.gz MEZUDESEURAZGY-OAHLLOKOSA-N 1 3 386.458 3.692 20 0 GHADHO CCCC[C@@H]1C[C@@H](NCCc2ccc(OCC(=O)OC(C)(C)C)cc2)CC[NH2+]1 ZINC001246483198 1037428936 /nfs/dbraw/zinc/42/89/36/1037428936.db2.gz KJWCSBZWPCGUQO-UXHICEINSA-N 1 3 390.568 3.850 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246483198 1037428955 /nfs/dbraw/zinc/42/89/55/1037428955.db2.gz KJWCSBZWPCGUQO-UXHICEINSA-N 1 3 390.568 3.850 20 0 GHADHO CCC[C@H](CC)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246491490 1037436889 /nfs/dbraw/zinc/43/68/89/1037436889.db2.gz FBTSTEUEGOVJIU-LPHOPBHVSA-N 1 3 387.524 3.706 20 0 GHADHO CC[C@@H]1CC[C@H]([NH2+]CCCC[C@H](N)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)C1 ZINC001246493110 1037438620 /nfs/dbraw/zinc/43/86/20/1037438620.db2.gz HUFIQQICOBPULA-UWVAXJGDSA-N 1 3 399.535 3.706 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@@H](C)[C@H](CN)C2)CC1 ZINC001246548591 1037476383 /nfs/dbraw/zinc/47/63/83/1037476383.db2.gz FJLHFXXANBVMRI-FIZWLOMBSA-N 1 3 378.944 3.610 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@@H](C)[C@H](CN)C2)CC1 ZINC001246548591 1037476408 /nfs/dbraw/zinc/47/64/08/1037476408.db2.gz FJLHFXXANBVMRI-FIZWLOMBSA-N 1 3 378.944 3.610 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001246628718 1037516546 /nfs/dbraw/zinc/51/65/46/1037516546.db2.gz CSARDHNLBMCDGR-IBGZPJMESA-N 1 3 398.497 3.968 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001246628718 1037516575 /nfs/dbraw/zinc/51/65/75/1037516575.db2.gz CSARDHNLBMCDGR-IBGZPJMESA-N 1 3 398.497 3.968 20 0 GHADHO COc1cccc2c1CC[C@H]([N@@H+]1CC[C@@]3(c4ccccc4)CCNC[C@H]3C1)C2 ZINC001246674488 1037540326 /nfs/dbraw/zinc/54/03/26/1037540326.db2.gz UIGURAWIZPPZPR-WRALFONMSA-N 1 3 376.544 3.806 20 0 GHADHO COc1cccc2c1CC[C@H]([N@H+]1CC[C@@]3(c4ccccc4)CCNC[C@H]3C1)C2 ZINC001246674488 1037540341 /nfs/dbraw/zinc/54/03/41/1037540341.db2.gz UIGURAWIZPPZPR-WRALFONMSA-N 1 3 376.544 3.806 20 0 GHADHO CC[C@@H]1CC(N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@@H](CC)[NH2+]1 ZINC001246722392 1037573166 /nfs/dbraw/zinc/57/31/66/1037573166.db2.gz NQFXQODGTXPDIA-KNKQGSTJSA-N 1 3 389.609 3.985 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246769036 1037610271 /nfs/dbraw/zinc/61/02/71/1037610271.db2.gz WGSBUXDYJRBSKI-YVHKJVDXSA-N 1 3 391.506 3.704 20 0 GHADHO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246826594 1037657746 /nfs/dbraw/zinc/65/77/46/1037657746.db2.gz XIYSYIRUFMAINS-DQBMGFJSSA-N 1 3 383.580 3.640 20 0 GHADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001246832750 1037662961 /nfs/dbraw/zinc/66/29/61/1037662961.db2.gz IMCUSXSMGJALHF-JWQCQUIFSA-N 1 3 395.566 3.896 20 0 GHADHO CC1(C)[N@@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246924765 1037730272 /nfs/dbraw/zinc/73/02/72/1037730272.db2.gz JQXDJLBSNFQCDG-DFIYOIEZSA-N 1 3 390.527 3.691 20 0 GHADHO CC1(C)[N@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246924765 1037730292 /nfs/dbraw/zinc/73/02/92/1037730292.db2.gz JQXDJLBSNFQCDG-DFIYOIEZSA-N 1 3 390.527 3.691 20 0 GHADHO CC1(C)N([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246924765 1037730311 /nfs/dbraw/zinc/73/03/11/1037730311.db2.gz JQXDJLBSNFQCDG-DFIYOIEZSA-N 1 3 390.527 3.691 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CCN2)cc1 ZINC001246957597 1037772674 /nfs/dbraw/zinc/77/26/74/1037772674.db2.gz BRZAPYGSNXIYJA-ZYQDXHPFSA-N 1 3 375.560 3.556 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CCN2)cc1 ZINC001246957597 1037772694 /nfs/dbraw/zinc/77/26/94/1037772694.db2.gz BRZAPYGSNXIYJA-ZYQDXHPFSA-N 1 3 375.560 3.556 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246960946 1037781105 /nfs/dbraw/zinc/78/11/05/1037781105.db2.gz FFDJSPCYXDIQHN-UWJYYQICSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246960946 1037781125 /nfs/dbraw/zinc/78/11/25/1037781125.db2.gz FFDJSPCYXDIQHN-UWJYYQICSA-N 1 3 376.516 3.810 20 0 GHADHO C[C@H]1CC[C@H](N2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)C[NH2+]1 ZINC001246998731 1037822974 /nfs/dbraw/zinc/82/29/74/1037822974.db2.gz ZRVAWPXAVVSXIG-REWPJTCUSA-N 1 3 375.560 3.924 20 0 GHADHO CC[C@@H]1C[C@H](N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246999492 1037824967 /nfs/dbraw/zinc/82/49/67/1037824967.db2.gz JMDOPJZCKCXTGV-AERCQKQUSA-N 1 3 391.987 3.977 20 0 GHADHO c1ccc(C[NH+]2CCC(OC3CCN(Cc4n[nH]c5c4CCC5)CC3)CC2)cc1 ZINC001232429960 1038211290 /nfs/dbraw/zinc/21/12/90/1038211290.db2.gz IWCWBZJKJSCUAY-UHFFFAOYSA-N 1 3 394.563 3.544 20 0 GHADHO c1ccc2cc(Oc3ccccc3-c3noc(C45CNCC4C[NH2+]C5)n3)ccc2c1 ZINC001247850947 1038424622 /nfs/dbraw/zinc/42/46/22/1038424622.db2.gz KNFRMIBQABWJDG-UHFFFAOYSA-N 1 3 398.466 3.743 20 0 GHADHO CN(C)Cc1ccc(-c2noc([C@@H]3CC4(CC[NH2+]CC4)c4ccccc43)n2)cc1 ZINC001247892535 1038464123 /nfs/dbraw/zinc/46/41/23/1038464123.db2.gz UCZZJVCSYHZBRA-HXUWFJFHSA-N 1 3 388.515 3.955 20 0 GHADHO COC(=O)c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001232705762 1038505495 /nfs/dbraw/zinc/50/54/95/1038505495.db2.gz AUQHXFSQHAEDNN-SFTDATJTSA-N 1 3 396.506 3.956 20 0 GHADHO COC(=O)c1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001232705762 1038505497 /nfs/dbraw/zinc/50/54/97/1038505497.db2.gz AUQHXFSQHAEDNN-SFTDATJTSA-N 1 3 396.506 3.956 20 0 GHADHO CCC(CC)[N@H+](C[C@H](O)CN(CC)CC)C1CCN(Cc2ccccc2)CC1 ZINC001253188484 1039466865 /nfs/dbraw/zinc/46/68/65/1039466865.db2.gz ZNHRMEBVUULECX-XMMPIXPASA-N 1 3 389.628 3.844 20 0 GHADHO CCC(CC)[N@@H+](C[C@H](O)CN(CC)CC)C1CCN(Cc2ccccc2)CC1 ZINC001253188484 1039466875 /nfs/dbraw/zinc/46/68/75/1039466875.db2.gz ZNHRMEBVUULECX-XMMPIXPASA-N 1 3 389.628 3.844 20 0 GHADHO COc1ccc([C@@H]2CC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)cc1 ZINC001254041090 1039969882 /nfs/dbraw/zinc/96/98/82/1039969882.db2.gz HRYNLOYAXWAERB-JOCHJYFZSA-N 1 3 380.532 3.512 20 0 GHADHO COc1ccc([C@@H]2CC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)cc1 ZINC001254041090 1039969890 /nfs/dbraw/zinc/96/98/90/1039969890.db2.gz HRYNLOYAXWAERB-JOCHJYFZSA-N 1 3 380.532 3.512 20 0 GHADHO COc1cccc(C2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)c1 ZINC001254041467 1039971442 /nfs/dbraw/zinc/97/14/42/1039971442.db2.gz KFYWBANZZYOGCV-UHFFFAOYSA-N 1 3 394.559 3.902 20 0 GHADHO OC1(CN[C@@H]2CCOc3ccc(Cl)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC001254054694 1039977308 /nfs/dbraw/zinc/97/73/08/1039977308.db2.gz VBTYJYRMNMXWLD-HXUWFJFHSA-N 1 3 386.923 3.780 20 0 GHADHO C[NH+](C)C1(CNC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CCC1 ZINC001234417403 1040017783 /nfs/dbraw/zinc/01/77/83/1040017783.db2.gz IAQQELIHTYYEFN-UHFFFAOYSA-N 1 3 398.595 3.701 20 0 GHADHO CN1CCC[C@@H]([NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)CC1 ZINC001254520908 1040296914 /nfs/dbraw/zinc/29/69/14/1040296914.db2.gz ZJGZJPNAYUVCJX-LJQANCHMSA-N 1 3 375.582 3.551 20 0 GHADHO C[N@@H+]1CCC[C@@H](N(Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531740 1040304315 /nfs/dbraw/zinc/30/43/15/1040304315.db2.gz KWYXQXVPODXGLB-RPWUZVMVSA-N 1 3 391.559 3.774 20 0 GHADHO C[N@H+]1CCC[C@@H](N(Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531740 1040304323 /nfs/dbraw/zinc/30/43/23/1040304323.db2.gz KWYXQXVPODXGLB-RPWUZVMVSA-N 1 3 391.559 3.774 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH+]1CCC(N3CCCCC3)CC1)C2 ZINC001254773004 1040534629 /nfs/dbraw/zinc/53/46/29/1040534629.db2.gz HLESFLVTCVMHDA-IBGZPJMESA-N 1 3 377.573 3.726 20 0 GHADHO COC(=O)c1cccc2c(CN3CCC4(CC3)C[NH2+]Cc3ccccc34)c[nH]c21 ZINC001235090955 1040579726 /nfs/dbraw/zinc/57/97/26/1040579726.db2.gz MSJZIERACLCNPF-UHFFFAOYSA-N 1 3 389.499 3.592 20 0 GHADHO Ic1ccc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235158073 1040650963 /nfs/dbraw/zinc/65/09/63/1040650963.db2.gz UFCOAMLXJFEWBR-QGZVFWFLSA-N 1 3 384.305 3.645 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255022073 1040734498 /nfs/dbraw/zinc/73/44/98/1040734498.db2.gz AVVNUHMVNDDJML-DEOSSOPVSA-N 1 3 391.559 3.552 20 0 GHADHO COCc1cccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001255134346 1040832997 /nfs/dbraw/zinc/83/29/97/1040832997.db2.gz BBHWIGHLYSGJCK-XQUALCHDSA-N 1 3 380.532 3.652 20 0 GHADHO CC(=O)Nc1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(C)c1 ZINC001235372826 1040880880 /nfs/dbraw/zinc/88/08/80/1040880880.db2.gz VEBYQLBMESSPKF-VWNXMTODSA-N 1 3 377.532 3.707 20 0 GHADHO CC(C)(C)OC(=O)N1CC(F)(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255382834 1040973811 /nfs/dbraw/zinc/97/38/11/1040973811.db2.gz XIJVUEBQZZLTHQ-IBGZPJMESA-N 1 3 391.531 3.590 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255390991 1040979620 /nfs/dbraw/zinc/97/96/20/1040979620.db2.gz MLRGTCVJYDQXKT-QHCPKHFHSA-N 1 3 380.532 3.937 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255390991 1040979624 /nfs/dbraw/zinc/97/96/24/1040979624.db2.gz MLRGTCVJYDQXKT-QHCPKHFHSA-N 1 3 380.532 3.937 20 0 GHADHO Cn1c2ccccc2c(CN2CCN(C3CC[NH2+]CC3)CC2)c1-c1ccccc1 ZINC001235697803 1041175143 /nfs/dbraw/zinc/17/51/43/1041175143.db2.gz ALSKOGVWLZSNJU-UHFFFAOYSA-N 1 3 388.559 3.715 20 0 GHADHO Cc1ccc(SC[C@@H](C)[N@H+]2CCc3ncc(CN4CCCC4)n3CC2)cc1 ZINC001255765341 1041280745 /nfs/dbraw/zinc/28/07/45/1041280745.db2.gz KUBFBBQYPSWENA-LJQANCHMSA-N 1 3 384.593 3.826 20 0 GHADHO Cc1ccc(SC[C@@H](C)[N@@H+]2CCc3ncc(CN4CCCC4)n3CC2)cc1 ZINC001255765341 1041280758 /nfs/dbraw/zinc/28/07/58/1041280758.db2.gz KUBFBBQYPSWENA-LJQANCHMSA-N 1 3 384.593 3.826 20 0 GHADHO CN(Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1ccccc1C(F)(F)F ZINC001235839243 1041365036 /nfs/dbraw/zinc/36/50/36/1041365036.db2.gz OTWJBEAHLPUEFV-UHFFFAOYSA-N 1 3 377.454 3.743 20 0 GHADHO CC[C@H]([NH3+])CN1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001235868146 1041400982 /nfs/dbraw/zinc/40/09/82/1041400982.db2.gz UZNYAAUKQLRFDL-QHCPKHFHSA-N 1 3 381.564 3.538 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255947203 1041431905 /nfs/dbraw/zinc/43/19/05/1041431905.db2.gz PISYPRLQIOFHFD-MOPGFXCFSA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255947203 1041431911 /nfs/dbraw/zinc/43/19/11/1041431911.db2.gz PISYPRLQIOFHFD-MOPGFXCFSA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccc(OCC(=O)OC(C)(C)C)cc1 ZINC001255953513 1041433779 /nfs/dbraw/zinc/43/37/79/1041433779.db2.gz SEJCXKQAFFHFTB-GOSISDBHSA-N 1 3 378.557 3.660 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCN(Cc2cccc(Br)c2)C1 ZINC001255953373 1041433963 /nfs/dbraw/zinc/43/39/63/1041433963.db2.gz JRFWIIKAZPZNTK-LPHOPBHVSA-N 1 3 382.390 3.733 20 0 GHADHO C[NH+](C)CCCNC(=O)c1cccnc1-c1cccc(CN2CCCCC2)c1F ZINC001236007054 1041498197 /nfs/dbraw/zinc/49/81/97/1041498197.db2.gz WTPILUIYOASTSR-UHFFFAOYSA-N 1 3 398.526 3.555 20 0 GHADHO [NH3+]CC1CN([C@@H]2CCCN(Cc3ccccc3Oc3ccc(Cl)cc3)C2)C1 ZINC001236081043 1041525418 /nfs/dbraw/zinc/52/54/18/1041525418.db2.gz WZVMFTCCSYXOEC-HXUWFJFHSA-N 1 3 385.939 3.987 20 0 GHADHO FC(F)(F)Oc1cc(Br)cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322108 1041670571 /nfs/dbraw/zinc/67/05/71/1041670571.db2.gz PTKUWWVAMDBWKB-BETUJISGSA-N 1 3 393.247 3.779 20 0 GHADHO COC(=O)[C@H]1CC[C@H](C[N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CC1 ZINC001236454076 1041718987 /nfs/dbraw/zinc/71/89/87/1041718987.db2.gz VDJKIXUTTYQIDV-SAABIXHNSA-N 1 3 378.944 3.873 20 0 GHADHO COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CC1 ZINC001236454076 1041718993 /nfs/dbraw/zinc/71/89/93/1041718993.db2.gz VDJKIXUTTYQIDV-SAABIXHNSA-N 1 3 378.944 3.873 20 0 GHADHO COc1ccc(CN(CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)n1 ZINC001236543481 1041757730 /nfs/dbraw/zinc/75/77/30/1041757730.db2.gz VISYSIXKDRLPEL-WKILWMFISA-N 1 3 382.346 3.725 20 0 GHADHO C[N@@H+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001236962205 1041970683 /nfs/dbraw/zinc/97/06/83/1041970683.db2.gz ZUWLAKFYXLHDFR-JOCHJYFZSA-N 1 3 397.538 3.616 20 0 GHADHO C[N@H+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001236962205 1041970685 /nfs/dbraw/zinc/97/06/85/1041970685.db2.gz ZUWLAKFYXLHDFR-JOCHJYFZSA-N 1 3 397.538 3.616 20 0 GHADHO Cc1cccc(-c2ccc(CN3CCN(CC4CC[NH+](C)CC4)CC3)cn2)c1C ZINC001236986772 1041979495 /nfs/dbraw/zinc/97/94/95/1041979495.db2.gz XYSQSCNDSKZTTA-UHFFFAOYSA-N 1 3 392.591 3.825 20 0 GHADHO COC(=O)c1ccc(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC001237453663 1042214242 /nfs/dbraw/zinc/21/42/42/1042214242.db2.gz LPOXFELVZDFASL-UHFFFAOYSA-N 1 3 393.531 3.746 20 0 GHADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(CCN(C(C)C)C4=O)CC3)cc21 ZINC001237889909 1042411875 /nfs/dbraw/zinc/41/18/75/1042411875.db2.gz QKCBLMLTYVQGHU-UHFFFAOYSA-N 1 3 381.564 3.911 20 0 GHADHO CC(C)C1=[NH+]CCc2ccc(CN3CCC4(CCN(C(C)C)C4=O)CC3)cc21 ZINC001237889909 1042411878 /nfs/dbraw/zinc/41/18/78/1042411878.db2.gz QKCBLMLTYVQGHU-UHFFFAOYSA-N 1 3 381.564 3.911 20 0 GHADHO C[NH+]1CCN(c2cc(-c3nccc4c3ccn4Cc3ccccc3)ccn2)CC1 ZINC001238818461 1042738023 /nfs/dbraw/zinc/73/80/23/1042738023.db2.gz LGJUNJTWIJJKRM-UHFFFAOYSA-N 1 3 383.499 3.898 20 0 GHADHO CN(C)CCN(C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC001239308271 1042806262 /nfs/dbraw/zinc/80/62/62/1042806262.db2.gz VYBCLCSWTZHEMI-ZDUSSCGKSA-N 1 3 392.853 3.506 20 0 GHADHO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(CN2CCN(C)CC2)cc1 ZINC001240415649 1042927768 /nfs/dbraw/zinc/92/77/68/1042927768.db2.gz ZGUCRPMKJHXKME-UHFFFAOYSA-N 1 3 381.564 3.951 20 0 GHADHO CN1CCN(C2(c3ccc(-c4cncc(C[NH+]5CCCCC5)c4)cc3)CC2)CC1 ZINC001240588085 1042943566 /nfs/dbraw/zinc/94/35/66/1042943566.db2.gz IVMWYKXQNBVUGD-UHFFFAOYSA-N 1 3 390.575 3.971 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[NH+](C(C)C)C(C)C ZINC001291472285 1043286644 /nfs/dbraw/zinc/28/66/44/1043286644.db2.gz OGRKIGFELXMDLL-SLFFLAALSA-N 1 3 392.636 3.829 20 0 GHADHO COC(=O)CCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256529730 1043461567 /nfs/dbraw/zinc/46/15/67/1043461567.db2.gz WLOMDIXUXATYDJ-XXBNENTESA-N 1 3 380.532 3.935 20 0 GHADHO COC(=O)CCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256529730 1043461570 /nfs/dbraw/zinc/46/15/70/1043461570.db2.gz WLOMDIXUXATYDJ-XXBNENTESA-N 1 3 380.532 3.935 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256535014 1043472550 /nfs/dbraw/zinc/47/25/50/1043472550.db2.gz WFVABARANKPKPP-XXBNENTESA-N 1 3 380.532 3.935 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256535014 1043472560 /nfs/dbraw/zinc/47/25/60/1043472560.db2.gz WFVABARANKPKPP-XXBNENTESA-N 1 3 380.532 3.935 20 0 GHADHO C[C@H]1C[C@H](n2nc(C(F)(F)F)c3c2CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552542 1043519150 /nfs/dbraw/zinc/51/91/50/1043519150.db2.gz BQXQKRPLZOLCHC-GOEBONIOSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@H]1C[C@H](n2nc(C(F)(F)F)c3c2CNCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552542 1043519158 /nfs/dbraw/zinc/51/91/58/1043519158.db2.gz BQXQKRPLZOLCHC-GOEBONIOSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@@H]1C[C@@H]([N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256560668 1043535480 /nfs/dbraw/zinc/53/54/80/1043535480.db2.gz SBYBTJHSUJXKRB-PBXXJUDPSA-N 1 3 375.560 3.955 20 0 GHADHO C[C@@H]1C[C@@H]([N@H+]2CCN3CCc4ccccc4[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256560668 1043535492 /nfs/dbraw/zinc/53/54/92/1043535492.db2.gz SBYBTJHSUJXKRB-PBXXJUDPSA-N 1 3 375.560 3.955 20 0 GHADHO CCn1c2ccccc2nc1N1CCC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256566787 1043540899 /nfs/dbraw/zinc/54/08/99/1043540899.db2.gz LUSZFBDUTAXLOJ-LJQANCHMSA-N 1 3 383.584 3.878 20 0 GHADHO [NH2+]=C(NC1CCC(N2CCOCC2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC001256687586 1043623928 /nfs/dbraw/zinc/62/39/28/1043623928.db2.gz YZVAPMVGWLXRIF-UHFFFAOYSA-N 1 3 389.849 3.917 20 0 GHADHO COc1ccc(CCN2CCC([NH2+][C@H]3CCCN(C4CCCC4)C3)CC2)cc1 ZINC001256910187 1043736478 /nfs/dbraw/zinc/73/64/78/1043736478.db2.gz YGIJGGWBZHAHRE-QFIPXVFZSA-N 1 3 385.596 3.699 20 0 GHADHO CC(C)[NH+]1CCC(N2CCC3(CCN(C(=O)c4cccs4)C3)CC2)CC1 ZINC001257216666 1043939975 /nfs/dbraw/zinc/93/99/75/1043939975.db2.gz NDNNELUVALVBNP-UHFFFAOYSA-N 1 3 375.582 3.549 20 0 GHADHO CC1CCN(CCC[NH2+]C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001257838051 1044213339 /nfs/dbraw/zinc/21/33/39/1044213339.db2.gz YPSMRDHUEOLCOA-YOFSQIOKSA-N 1 3 379.589 3.734 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C1CCC3(COC3)CC1)CC2 ZINC001257907089 1044255257 /nfs/dbraw/zinc/25/52/57/1044255257.db2.gz JWRNQHFXZRMVCG-LJQANCHMSA-N 1 3 390.593 3.763 20 0 GHADHO CC(C)CN1CCC([NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)CC1 ZINC001258011338 1044337084 /nfs/dbraw/zinc/33/70/84/1044337084.db2.gz DDLCRLQCNQKCNB-UHFFFAOYSA-N 1 3 395.591 3.897 20 0 GHADHO COc1cc(C[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc(OC)c1OC ZINC001258860842 1044800512 /nfs/dbraw/zinc/80/05/12/1044800512.db2.gz XRJFXLODHUKPBP-MRXNPFEDSA-N 1 3 376.541 3.640 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001297605261 1045585719 /nfs/dbraw/zinc/58/57/19/1045585719.db2.gz HQGWDIKASGLITD-AZUAARDMSA-N 1 3 377.598 3.601 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001297605261 1045585728 /nfs/dbraw/zinc/58/57/28/1045585728.db2.gz HQGWDIKASGLITD-AZUAARDMSA-N 1 3 377.598 3.601 20 0 GHADHO CCc1ccc([C@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000613397454 1047569816 /nfs/dbraw/zinc/56/98/16/1047569816.db2.gz NNCPWNCZDFIFJW-FQEVSTJZSA-N 1 3 393.575 3.989 20 0 GHADHO Brc1c[nH]c(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]4)(C2)CCC3)c1 ZINC001279284641 1047756956 /nfs/dbraw/zinc/75/69/56/1047756956.db2.gz DSTHDJKABSPFGQ-MSOLQXFVSA-N 1 3 377.330 3.830 20 0 GHADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(Br)s3)(C1)CCC2 ZINC001279398148 1047794236 /nfs/dbraw/zinc/79/42/36/1047794236.db2.gz WJPCWTGMLPJXDC-DLBZAZTESA-N 1 3 386.403 3.597 20 0 GHADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1csc(C(F)(F)F)c1)C2 ZINC001279712454 1047931315 /nfs/dbraw/zinc/93/13/15/1047931315.db2.gz ZTVCBNOQNNHRLX-KRWDZBQOSA-N 1 3 375.504 3.616 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC001306855870 1048929499 /nfs/dbraw/zinc/92/94/99/1048929499.db2.gz YSSIKLTZRXEZSX-HSZRJFAPSA-N 1 3 381.564 3.979 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC001306869027 1048935823 /nfs/dbraw/zinc/93/58/23/1048935823.db2.gz SAHFQTGNRUGYFO-NRFANRHFSA-N 1 3 389.584 3.895 20 0 GHADHO C[C@H]1C[NH+](Cc2ccc(CNCc3cn4cc(Cl)ccc4n3)cc2)C[C@H](C)O1 ZINC001308196071 1049908248 /nfs/dbraw/zinc/90/82/48/1049908248.db2.gz AOTLMDLCVFSWLG-IRXDYDNUSA-N 1 3 398.938 3.887 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC001308265365 1049931104 /nfs/dbraw/zinc/93/11/04/1049931104.db2.gz CLQHDJDWOOVMNS-YJBOKZPZSA-N 1 3 399.373 3.684 20 0 GHADHO CN(CCOc1ccccc1)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308560889 1050009382 /nfs/dbraw/zinc/00/93/82/1050009382.db2.gz VZPDUJQDMRPTCC-UHFFFAOYSA-N 1 3 378.419 3.581 20 0 GHADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)c1Br ZINC001308743224 1050078111 /nfs/dbraw/zinc/07/81/11/1050078111.db2.gz SIQZZXIAHRAADB-IBGZPJMESA-N 1 3 394.401 3.666 20 0 GHADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)c1Br ZINC001308743224 1050078116 /nfs/dbraw/zinc/07/81/16/1050078116.db2.gz SIQZZXIAHRAADB-IBGZPJMESA-N 1 3 394.401 3.666 20 0 GHADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001312014304 1052529821 /nfs/dbraw/zinc/52/98/21/1052529821.db2.gz ZQYJXFCHZNWLQD-FGZHOGPDSA-N 1 3 384.568 3.530 20 0 GHADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001312014304 1052529828 /nfs/dbraw/zinc/52/98/28/1052529828.db2.gz ZQYJXFCHZNWLQD-FGZHOGPDSA-N 1 3 384.568 3.530 20 0 GHADHO CCN1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC001319903714 1055532929 /nfs/dbraw/zinc/53/29/29/1055532929.db2.gz CBKXBGJQVSJUFV-ATZDWAIDSA-N 1 3 381.358 3.991 20 0 GHADHO CCN1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC001319903715 1055533354 /nfs/dbraw/zinc/53/33/54/1055533354.db2.gz CBKXBGJQVSJUFV-AYOQOUSVSA-N 1 3 381.358 3.991 20 0 GHADHO COC(=O)/C=C/c1ccc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000848899386 1057406686 /nfs/dbraw/zinc/40/66/86/1057406686.db2.gz NFDIDCHPCYQAIM-FKDVYQRFSA-N 1 3 382.504 3.856 20 0 GHADHO COC(=O)/C=C/c1ccc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000848899386 1057406691 /nfs/dbraw/zinc/40/66/91/1057406691.db2.gz NFDIDCHPCYQAIM-FKDVYQRFSA-N 1 3 382.504 3.856 20 0 GHADHO CSc1cccc(F)c1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849052970 1057561866 /nfs/dbraw/zinc/56/18/66/1057561866.db2.gz YAHQBLMSFNKLEP-UHFFFAOYSA-N 1 3 386.540 3.826 20 0 GHADHO CCc1cccc(NC(=[NH2+])NCCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000849069893 1057579752 /nfs/dbraw/zinc/57/97/52/1057579752.db2.gz UKEBMLZZCAHBGI-UHFFFAOYSA-N 1 3 393.579 3.783 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001341793059 1060898739 /nfs/dbraw/zinc/89/87/39/1060898739.db2.gz ZAZOASGQFUQSCH-WOJBJXKFSA-N 1 3 395.572 3.521 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001341793059 1060898761 /nfs/dbraw/zinc/89/87/61/1060898761.db2.gz ZAZOASGQFUQSCH-WOJBJXKFSA-N 1 3 395.572 3.521 20 0 GHADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001477615109 1078492902 /nfs/dbraw/zinc/49/29/02/1078492902.db2.gz KRFYWGVIWVCNBL-IRLDBZIGSA-N 1 3 386.584 3.729 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)c1 ZINC001477688622 1078526802 /nfs/dbraw/zinc/52/68/02/1078526802.db2.gz NKOISLCXLZLQBQ-HSZRJFAPSA-N 1 3 394.563 3.520 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)c1 ZINC001477688622 1078526805 /nfs/dbraw/zinc/52/68/05/1078526805.db2.gz NKOISLCXLZLQBQ-HSZRJFAPSA-N 1 3 394.563 3.520 20 0 GHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001468351928 1067699099 /nfs/dbraw/zinc/69/90/99/1067699099.db2.gz SHXYHAZXKYPHKX-PZJWPPBQSA-N 1 3 388.600 3.798 20 0 GHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001468351928 1067699105 /nfs/dbraw/zinc/69/91/05/1067699105.db2.gz SHXYHAZXKYPHKX-PZJWPPBQSA-N 1 3 388.600 3.798 20 0 GHADHO C[C@]1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCCN1Cc1ccccc1 ZINC000849097617 1067725848 /nfs/dbraw/zinc/72/58/48/1067725848.db2.gz BUQNBNFZIKYLTP-NFBKMPQASA-N 1 3 378.520 3.679 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001468630775 1067798296 /nfs/dbraw/zinc/79/82/96/1067798296.db2.gz NQIHORSLPPXHNQ-JOCHJYFZSA-N 1 3 386.584 3.559 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001468630775 1067798301 /nfs/dbraw/zinc/79/83/01/1067798301.db2.gz NQIHORSLPPXHNQ-JOCHJYFZSA-N 1 3 386.584 3.559 20 0 GHADHO CC1CC[NH+](C2CCC(NC(=O)N3CCN(CCC(C)(C)C)CC3)CC2)CC1 ZINC001469505592 1068196981 /nfs/dbraw/zinc/19/69/81/1068196981.db2.gz WWAXTVOHPUUCPE-UHFFFAOYSA-N 1 3 392.632 3.793 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001470375456 1068706948 /nfs/dbraw/zinc/70/69/48/1068706948.db2.gz BSRRAAMGAAIFTG-VWRAKTAISA-N 1 3 386.584 3.603 20 0 GHADHO CCCN(C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618806 1078937656 /nfs/dbraw/zinc/93/76/56/1078937656.db2.gz UOFDVHFXZUFLJL-FXAWDEMLSA-N 1 3 394.991 3.754 20 0 GHADHO CCCN(C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618806 1078937659 /nfs/dbraw/zinc/93/76/59/1078937659.db2.gz UOFDVHFXZUFLJL-FXAWDEMLSA-N 1 3 394.991 3.754 20 0 GHADHO CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001470854738 1072773388 /nfs/dbraw/zinc/77/33/88/1072773388.db2.gz NDBMTNOCFOPSKJ-GMAHTHKFSA-N 1 3 398.595 3.699 20 0 GHADHO CCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001470854738 1072773391 /nfs/dbraw/zinc/77/33/91/1072773391.db2.gz NDBMTNOCFOPSKJ-GMAHTHKFSA-N 1 3 398.595 3.699 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC001478772727 1078983286 /nfs/dbraw/zinc/98/32/86/1078983286.db2.gz YGHNZQRLYMFDHE-RTWAWAEBSA-N 1 3 388.600 3.660 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC001478772727 1078983287 /nfs/dbraw/zinc/98/32/87/1078983287.db2.gz YGHNZQRLYMFDHE-RTWAWAEBSA-N 1 3 388.600 3.660 20 0 GHADHO CC[N@H+](CCCNC(=O)N1CCN(CC2CCCCC2)CC1)C1CCCCC1 ZINC001478927486 1079029287 /nfs/dbraw/zinc/02/92/87/1079029287.db2.gz DEJFQLURQPFVIF-UHFFFAOYSA-N 1 3 392.632 3.939 20 0 GHADHO CC[N@@H+](CCCNC(=O)N1CCN(CC2CCCCC2)CC1)C1CCCCC1 ZINC001478927486 1079029291 /nfs/dbraw/zinc/02/92/91/1079029291.db2.gz DEJFQLURQPFVIF-UHFFFAOYSA-N 1 3 392.632 3.939 20 0 GHADHO CCCN1CCC([N@H+](C)CCCN2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001473210257 1073861383 /nfs/dbraw/zinc/86/13/83/1073861383.db2.gz FTCQNMVQSHAEDI-UHFFFAOYSA-N 1 3 393.019 3.658 20 0 GHADHO CCCN1CCC([N@@H+](C)CCCN2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001473210257 1073861393 /nfs/dbraw/zinc/86/13/93/1073861393.db2.gz FTCQNMVQSHAEDI-UHFFFAOYSA-N 1 3 393.019 3.658 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC001474713886 1074530402 /nfs/dbraw/zinc/53/04/02/1074530402.db2.gz LUCJZHNRVCMEMM-IZBJGVDFSA-N 1 3 379.589 3.875 20 0 GHADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000163553017 837496144 /nfs/dbraw/zinc/49/61/44/837496144.db2.gz QKOBPUGQCGWSME-KRWDZBQOSA-N 1 3 389.565 3.751 20 0 GHADHO C[C@@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414106985 837574555 /nfs/dbraw/zinc/57/45/55/837574555.db2.gz RLGMXCJJIVCLAM-HSALFYBXSA-N 1 3 396.579 3.689 20 0 GHADHO C[C@@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414106985 837574562 /nfs/dbraw/zinc/57/45/62/837574562.db2.gz RLGMXCJJIVCLAM-HSALFYBXSA-N 1 3 396.579 3.689 20 0 GHADHO CCCN(C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000511252430 834520772 /nfs/dbraw/zinc/52/07/72/834520772.db2.gz LEHGFZNAXNEJEF-OFNKIYASSA-N 1 3 398.595 3.723 20 0 GHADHO CCCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000511252430 834520775 /nfs/dbraw/zinc/52/07/75/834520775.db2.gz LEHGFZNAXNEJEF-OFNKIYASSA-N 1 3 398.595 3.723 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000655735321 837784994 /nfs/dbraw/zinc/78/49/94/837784994.db2.gz GYTIUTNHYZRTLP-UTKZUKDTSA-N 1 3 388.531 3.546 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)(N2CCCCC2)CC1 ZINC000172748964 834642654 /nfs/dbraw/zinc/64/26/54/834642654.db2.gz AWTUZLVMWAEDCC-VQTJNVASSA-N 1 3 389.971 3.510 20 0 GHADHO Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CC34CCC4)cc12 ZINC000657771665 834651112 /nfs/dbraw/zinc/65/11/12/834651112.db2.gz LUEZCNWDKRZNKK-OAQYLSRUSA-N 1 3 389.547 3.669 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OCC(C)C ZINC000650722483 834689820 /nfs/dbraw/zinc/68/98/20/834689820.db2.gz VJKFGFYPZIICLN-SFHLNBCPSA-N 1 3 376.541 3.591 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1)CC1CC1 ZINC000685421079 834994662 /nfs/dbraw/zinc/99/46/62/834994662.db2.gz XISFBJZMHOBDPW-UHFFFAOYSA-N 1 3 376.541 3.743 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1)CC1CC1 ZINC000685421079 834994668 /nfs/dbraw/zinc/99/46/68/834994668.db2.gz XISFBJZMHOBDPW-UHFFFAOYSA-N 1 3 376.541 3.743 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000658074092 835399292 /nfs/dbraw/zinc/39/92/92/835399292.db2.gz RKBYXMMHOTVQEL-UBFVSLLYSA-N 1 3 391.559 3.713 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000658074092 835399299 /nfs/dbraw/zinc/39/92/99/835399299.db2.gz RKBYXMMHOTVQEL-UBFVSLLYSA-N 1 3 391.559 3.713 20 0 GHADHO Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000132801076 835424578 /nfs/dbraw/zinc/42/45/78/835424578.db2.gz QNMXAJVHWKVIAX-LIRRHRJNSA-N 1 3 379.342 3.527 20 0 GHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658139477 835465588 /nfs/dbraw/zinc/46/55/88/835465588.db2.gz LUAXWGRDXXUNBK-GGAORHGYSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658139477 835465591 /nfs/dbraw/zinc/46/55/91/835465591.db2.gz LUAXWGRDXXUNBK-GGAORHGYSA-N 1 3 380.532 3.874 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000448216244 835790438 /nfs/dbraw/zinc/79/04/38/835790438.db2.gz ATNFEZLVBALMOW-ICSRJNTNSA-N 1 3 394.629 3.798 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000448216244 835790442 /nfs/dbraw/zinc/79/04/42/835790442.db2.gz ATNFEZLVBALMOW-ICSRJNTNSA-N 1 3 394.629 3.798 20 0 GHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000092587332 844121806 /nfs/dbraw/zinc/12/18/06/844121806.db2.gz KQYHDVMCYMTKQB-CALCHBBNSA-N 1 3 386.515 3.537 20 0 GHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000092587332 844121809 /nfs/dbraw/zinc/12/18/09/844121809.db2.gz KQYHDVMCYMTKQB-CALCHBBNSA-N 1 3 386.515 3.537 20 0 GHADHO CC[NH+]1CCC(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)CC1 ZINC000705657556 836327853 /nfs/dbraw/zinc/32/78/53/836327853.db2.gz CRZGHSXJMFRGRA-UHFFFAOYSA-N 1 3 393.575 3.532 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483718 844154374 /nfs/dbraw/zinc/15/43/74/844154374.db2.gz WFHZNZFAIKBUIO-SIKLNZKXSA-N 1 3 377.532 3.814 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000414294910 836948482 /nfs/dbraw/zinc/94/84/82/836948482.db2.gz CJHACHOLIACGGF-IBGZPJMESA-N 1 3 375.516 3.913 20 0 GHADHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000414294910 836948496 /nfs/dbraw/zinc/94/84/96/836948496.db2.gz CJHACHOLIACGGF-IBGZPJMESA-N 1 3 375.516 3.913 20 0 GHADHO C[NH+](C)[C@@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)c1ccccc1 ZINC000431720857 837112686 /nfs/dbraw/zinc/11/26/86/837112686.db2.gz DVQJHGMUSNFDIS-QFIPXVFZSA-N 1 3 379.548 3.633 20 0 GHADHO Cc1cc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)ccc1Cl ZINC000180916891 844242019 /nfs/dbraw/zinc/24/20/19/844242019.db2.gz HPWZITRMSUBJOE-FQEVSTJZSA-N 1 3 385.939 3.636 20 0 GHADHO Cc1cc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)ccc1Cl ZINC000180916891 844242025 /nfs/dbraw/zinc/24/20/25/844242025.db2.gz HPWZITRMSUBJOE-FQEVSTJZSA-N 1 3 385.939 3.636 20 0 GHADHO C[NH+](C)CC[C@@H](c1ccc(-n2nc(CN)c3ccccc32)cc1)c1ccccn1 ZINC001167698158 837303230 /nfs/dbraw/zinc/30/32/30/837303230.db2.gz OZTBDNCQDDBNMW-FQEVSTJZSA-N 1 3 385.515 3.963 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000415931336 838288089 /nfs/dbraw/zinc/28/80/89/838288089.db2.gz KSUMCYQXHLMJTC-QFIPXVFZSA-N 1 3 396.535 3.763 20 0 GHADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000271222276 838320346 /nfs/dbraw/zinc/32/03/46/838320346.db2.gz KRZVWYHQIAJCRX-SFHVURJKSA-N 1 3 394.357 3.584 20 0 GHADHO C[C@H](CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1cccc(Br)c1 ZINC000415116533 839227623 /nfs/dbraw/zinc/22/76/23/839227623.db2.gz BOIZQNOEKKARNT-NIKGAXFTSA-N 1 3 381.358 3.771 20 0 GHADHO COc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OCCC(C)C ZINC000415119435 839231874 /nfs/dbraw/zinc/23/18/74/839231874.db2.gz FIVYOZHHTIGBGE-UNMCSNQZSA-N 1 3 390.568 3.838 20 0 GHADHO CCCCOc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000415131042 839257653 /nfs/dbraw/zinc/25/76/53/839257653.db2.gz RTGGXSNECYIPCH-SIKLNZKXSA-N 1 3 376.541 3.592 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1Cn1cccn1 ZINC000160498126 839540213 /nfs/dbraw/zinc/54/02/13/839540213.db2.gz WDRZAPNGWXWXAP-GOSISDBHSA-N 1 3 382.552 3.998 20 0 GHADHO Cc1ccc(-c2ncc(CN3CCC(C[NH+]4CCN(C)CC4)CC3)s2)cc1C ZINC000656260983 839887966 /nfs/dbraw/zinc/88/79/66/839887966.db2.gz AZXPENOUPHPQEF-UHFFFAOYSA-N 1 3 398.620 3.886 20 0 GHADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416842310 840221374 /nfs/dbraw/zinc/22/13/74/840221374.db2.gz NCUPWSJKRUXBCO-QZTJIDSGSA-N 1 3 380.602 3.536 20 0 GHADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(CN2CCCC2)c1 ZINC000063081717 840534594 /nfs/dbraw/zinc/53/45/94/840534594.db2.gz WCAUTYDMGITBAE-UHFFFAOYSA-N 1 3 391.559 3.924 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417222535 840616943 /nfs/dbraw/zinc/61/69/43/840616943.db2.gz QEKZZUMEIPBJRB-QIJUGHKUSA-N 1 3 380.536 3.601 20 0 GHADHO Cc1ccc(-c2n[nH]cc2CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844211 840823405 /nfs/dbraw/zinc/82/34/05/840823405.db2.gz RWLSLVGHZVBZTM-HDICACEKSA-N 1 3 386.540 3.689 20 0 GHADHO Cc1ccc(-c2n[nH]cc2CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844211 840823429 /nfs/dbraw/zinc/82/34/29/840823429.db2.gz RWLSLVGHZVBZTM-HDICACEKSA-N 1 3 386.540 3.689 20 0 GHADHO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844211 840823435 /nfs/dbraw/zinc/82/34/35/840823435.db2.gz RWLSLVGHZVBZTM-HDICACEKSA-N 1 3 386.540 3.689 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000544143133 840947515 /nfs/dbraw/zinc/94/75/15/840947515.db2.gz YQGYTMVQYLFDOL-FUHWJXTLSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000544143133 840947517 /nfs/dbraw/zinc/94/75/17/840947517.db2.gz YQGYTMVQYLFDOL-FUHWJXTLSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000544143133 840947522 /nfs/dbraw/zinc/94/75/22/840947522.db2.gz YQGYTMVQYLFDOL-FUHWJXTLSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000544143133 840947527 /nfs/dbraw/zinc/94/75/27/840947527.db2.gz YQGYTMVQYLFDOL-FUHWJXTLSA-N 1 3 381.358 3.806 20 0 GHADHO CC1CC[NH+](CCCCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000549476928 841107913 /nfs/dbraw/zinc/10/79/13/841107913.db2.gz OTLWLGTZVPBBED-FQEVSTJZSA-N 1 3 394.991 3.754 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000510414527 841273969 /nfs/dbraw/zinc/27/39/69/841273969.db2.gz KOIXERGYJYEJQG-CALCHBBNSA-N 1 3 385.552 3.981 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000510414527 841273981 /nfs/dbraw/zinc/27/39/81/841273981.db2.gz KOIXERGYJYEJQG-CALCHBBNSA-N 1 3 385.552 3.981 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000178253621 861342196 /nfs/dbraw/zinc/34/21/96/861342196.db2.gz SVDYTAHHQDPEOD-CQSZACIVSA-N 1 3 394.357 3.630 20 0 GHADHO CC(C)n1cc([C@@H](C)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000090971348 842812395 /nfs/dbraw/zinc/81/23/95/842812395.db2.gz YAGUTLDFTPBUOE-LJQANCHMSA-N 1 3 381.568 3.847 20 0 GHADHO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297196 843093237 /nfs/dbraw/zinc/09/32/37/843093237.db2.gz OHVBQFNNVTVAPN-PXNSSMCTSA-N 1 3 383.536 3.664 20 0 GHADHO CC(C)c1cccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000663318037 843110144 /nfs/dbraw/zinc/11/01/44/843110144.db2.gz RTCDVICQIAXTMN-UHFFFAOYSA-N 1 3 379.548 3.925 20 0 GHADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)cc21 ZINC000662375058 843175045 /nfs/dbraw/zinc/17/50/45/843175045.db2.gz QNNBUMGIRROFPQ-GGAORHGYSA-N 1 3 377.532 3.632 20 0 GHADHO c1c(CN2CCC3(CC[NH2+]C3)CC2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000430930511 843195973 /nfs/dbraw/zinc/19/59/73/843195973.db2.gz SZBWXXSKXACHOU-UHFFFAOYSA-N 1 3 387.531 3.569 20 0 GHADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430955621 843252150 /nfs/dbraw/zinc/25/21/50/843252150.db2.gz ZQYSCCXKSLXFJS-SCLBCKFNSA-N 1 3 384.351 3.716 20 0 GHADHO C[C@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000162930842 843377216 /nfs/dbraw/zinc/37/72/16/843377216.db2.gz XAMZBRRFCPFROT-JXFKEZNVSA-N 1 3 396.453 3.728 20 0 GHADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000431016524 843429060 /nfs/dbraw/zinc/42/90/60/843429060.db2.gz KFIGENUPYUBYFG-GOSISDBHSA-N 1 3 396.362 3.732 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418675002 843526360 /nfs/dbraw/zinc/52/63/60/843526360.db2.gz PGOWFJYDEFVNIL-OFNKIYASSA-N 1 3 394.563 3.630 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512397633 843655581 /nfs/dbraw/zinc/65/55/81/843655581.db2.gz GXDZCFNAILBWLD-IFMALSPDSA-N 1 3 388.600 3.516 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512397633 843655590 /nfs/dbraw/zinc/65/55/90/843655590.db2.gz GXDZCFNAILBWLD-IFMALSPDSA-N 1 3 388.600 3.516 20 0 GHADHO C[NH+]1CCC(O)(CN[C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000512668491 844976695 /nfs/dbraw/zinc/97/66/95/844976695.db2.gz VGCVVZKXERVYIQ-LJQANCHMSA-N 1 3 396.428 3.980 20 0 GHADHO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000512669328 844978448 /nfs/dbraw/zinc/97/84/48/844978448.db2.gz ZNFSMMQXQRXJMC-LYCSZFELSA-N 1 3 397.607 3.960 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)CC1 ZINC000411466451 845482834 /nfs/dbraw/zinc/48/28/34/845482834.db2.gz RMAWLELPZWAQAR-LJQANCHMSA-N 1 3 399.501 3.983 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000411531798 845553539 /nfs/dbraw/zinc/55/35/39/845553539.db2.gz LOVHXCKGRQAVPA-OALUTQOASA-N 1 3 397.538 3.530 20 0 GHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433964317 845675010 /nfs/dbraw/zinc/67/50/10/845675010.db2.gz IOMRIVNLYSHJHE-GGAORHGYSA-N 1 3 398.595 3.557 20 0 GHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433964317 845675013 /nfs/dbraw/zinc/67/50/13/845675013.db2.gz IOMRIVNLYSHJHE-GGAORHGYSA-N 1 3 398.595 3.557 20 0 GHADHO C[NH+](C)CCOc1cc(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)ccn1 ZINC000179509838 861608663 /nfs/dbraw/zinc/60/86/63/861608663.db2.gz CHSGBBIDFXRLAC-SFHVURJKSA-N 1 3 395.425 3.698 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccnn2-c2ccncc2)cc1 ZINC000657310019 845979993 /nfs/dbraw/zinc/97/99/93/845979993.db2.gz JWNHRMJWXOWIFG-IBGZPJMESA-N 1 3 375.520 3.932 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccnn2-c2ccncc2)cc1 ZINC000657310019 845979998 /nfs/dbraw/zinc/97/99/98/845979998.db2.gz JWNHRMJWXOWIFG-IBGZPJMESA-N 1 3 375.520 3.932 20 0 GHADHO CCc1cccc(OC[C@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000582057991 846185307 /nfs/dbraw/zinc/18/53/07/846185307.db2.gz LUSDMGQOKCJPND-AUSIDOKSSA-N 1 3 382.548 3.804 20 0 GHADHO CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000582122938 846419627 /nfs/dbraw/zinc/41/96/27/846419627.db2.gz TYIKWPIIYKNSET-ROUUACIJSA-N 1 3 381.520 3.541 20 0 GHADHO C(=C\C[N@@H+]1CC[C@H](Cc2nccs2)C1)\CN1CC[C@@H](Cc2nccs2)C1 ZINC000934329979 846529176 /nfs/dbraw/zinc/52/91/76/846529176.db2.gz DDOQMKZZCKZPGW-OEHAVNEVSA-N 1 3 388.606 3.585 20 0 GHADHO C(=C\C[N@H+]1CC[C@H](Cc2nccs2)C1)\CN1CC[C@@H](Cc2nccs2)C1 ZINC000934329979 846529184 /nfs/dbraw/zinc/52/91/84/846529184.db2.gz DDOQMKZZCKZPGW-OEHAVNEVSA-N 1 3 388.606 3.585 20 0 GHADHO C(=C\C[N@@H+]1CC[C@@H](Cc2nccs2)C1)\CN1CC[C@H](Cc2nccs2)C1 ZINC000934329979 846529192 /nfs/dbraw/zinc/52/91/92/846529192.db2.gz DDOQMKZZCKZPGW-OEHAVNEVSA-N 1 3 388.606 3.585 20 0 GHADHO C(=C\C[N@H+]1CC[C@@H](Cc2nccs2)C1)\CN1CC[C@H](Cc2nccs2)C1 ZINC000934329979 846529197 /nfs/dbraw/zinc/52/91/97/846529197.db2.gz DDOQMKZZCKZPGW-OEHAVNEVSA-N 1 3 388.606 3.585 20 0 GHADHO C(=C\C[N@@H+]1CC[C@H](Cc2nccs2)C1)\CN1CC[C@H](Cc2nccs2)C1 ZINC000934329977 846529305 /nfs/dbraw/zinc/52/93/05/846529305.db2.gz DDOQMKZZCKZPGW-FKAFAWJWSA-N 1 3 388.606 3.585 20 0 GHADHO C(=C\C[N@H+]1CC[C@H](Cc2nccs2)C1)\CN1CC[C@H](Cc2nccs2)C1 ZINC000934329977 846529309 /nfs/dbraw/zinc/52/93/09/846529309.db2.gz DDOQMKZZCKZPGW-FKAFAWJWSA-N 1 3 388.606 3.585 20 0 GHADHO Cc1ccc(OC(F)F)c(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414550964 846535668 /nfs/dbraw/zinc/53/56/68/846535668.db2.gz OKDANUABCXCZSL-UHFFFAOYSA-N 1 3 390.474 3.713 20 0 GHADHO CSc1cccc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501024492 846559023 /nfs/dbraw/zinc/55/90/23/846559023.db2.gz CLZJAFGVYYSEIU-UHFFFAOYSA-N 1 3 384.549 3.590 20 0 GHADHO CSc1cccc(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501024919 846559039 /nfs/dbraw/zinc/55/90/39/846559039.db2.gz OVIZKNZDXIFOGX-QGZVFWFLSA-N 1 3 398.576 3.979 20 0 GHADHO CCN(C(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501050887 846578137 /nfs/dbraw/zinc/57/81/37/846578137.db2.gz LWROPCKAAUCTNQ-IBGZPJMESA-N 1 3 380.536 3.671 20 0 GHADHO C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501077565 846620079 /nfs/dbraw/zinc/62/00/79/846620079.db2.gz IUEOOZDQHCHJSV-INIZCTEOSA-N 1 3 386.927 3.910 20 0 GHADHO COc1ccc([C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C2CC2)c(F)c1 ZINC000421855518 846623959 /nfs/dbraw/zinc/62/39/59/846623959.db2.gz MMCISDQTQXIJBQ-QHCPKHFHSA-N 1 3 398.522 3.902 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000501161804 846692885 /nfs/dbraw/zinc/69/28/85/846692885.db2.gz GNWFBKFCHUZPCY-WOJBJXKFSA-N 1 3 388.581 3.733 20 0 GHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000503112635 846822931 /nfs/dbraw/zinc/82/29/31/846822931.db2.gz RSDYZJOYYGLJCJ-SIKLNZKXSA-N 1 3 394.563 3.690 20 0 GHADHO C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000501384165 846894165 /nfs/dbraw/zinc/89/41/65/846894165.db2.gz BXFLPMZDGMXMET-RBUKOAKNSA-N 1 3 392.613 3.695 20 0 GHADHO CC(C)[NH+]1CCC(O)(CNCc2cc3cc(Br)ccc3o2)CC1 ZINC000657396938 846919085 /nfs/dbraw/zinc/91/90/85/846919085.db2.gz FICGNSPZCRZNIE-UHFFFAOYSA-N 1 3 381.314 3.520 20 0 GHADHO Brc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422703670 847775112 /nfs/dbraw/zinc/77/51/12/847775112.db2.gz IHOCCLLIZTYLFN-UOVPBQLFSA-N 1 3 378.358 3.538 20 0 GHADHO Cc1cc([C@H](C)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)nn1C ZINC000502387682 847834175 /nfs/dbraw/zinc/83/41/75/847834175.db2.gz BYEWAYIULMUHKU-GGPKGHCWSA-N 1 3 384.568 3.588 20 0 GHADHO CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000611663162 847835883 /nfs/dbraw/zinc/83/58/83/847835883.db2.gz PCAHWCSAHVXNLA-IBGZPJMESA-N 1 3 394.629 3.750 20 0 GHADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000422886094 847869543 /nfs/dbraw/zinc/86/95/43/847869543.db2.gz WAYHVMAPJSAKAL-GUDVDZBRSA-N 1 3 375.969 3.970 20 0 GHADHO CCOC(=O)C1([C@@H](C)N[C@@H](c2ccccc2)c2ccccc2OC)CC[NH2+]CC1 ZINC000422961360 847917051 /nfs/dbraw/zinc/91/70/51/847917051.db2.gz YYIZLAOGJIZBKK-GCJKJVERSA-N 1 3 396.531 3.696 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423067161 847959668 /nfs/dbraw/zinc/95/96/68/847959668.db2.gz YQUQFXFPGKJLFE-HOCLYGCPSA-N 1 3 378.442 3.797 20 0 GHADHO Cn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C2CCCCC2)n1 ZINC000657612581 848325800 /nfs/dbraw/zinc/32/58/00/848325800.db2.gz AKUKUUJLINGNKQ-UHFFFAOYSA-N 1 3 381.568 3.865 20 0 GHADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000078804612 848678730 /nfs/dbraw/zinc/67/87/30/848678730.db2.gz MYSZIAGNMKEXBL-INIZCTEOSA-N 1 3 375.340 3.538 20 0 GHADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000078804612 848678736 /nfs/dbraw/zinc/67/87/36/848678736.db2.gz MYSZIAGNMKEXBL-INIZCTEOSA-N 1 3 375.340 3.538 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000535940286 849163945 /nfs/dbraw/zinc/16/39/45/849163945.db2.gz CSNXJWJHIAPZOK-ICSRJNTNSA-N 1 3 392.613 3.504 20 0 GHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000472286022 849853498 /nfs/dbraw/zinc/85/34/98/849853498.db2.gz HJKPFEHFULAHRN-HSZRJFAPSA-N 1 3 395.547 3.872 20 0 GHADHO Cc1c([C@H](C)NC[C@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423455871 849932944 /nfs/dbraw/zinc/93/29/44/849932944.db2.gz FSTDELFLLGERGV-NOLJZWGESA-N 1 3 392.345 3.506 20 0 GHADHO O=C1OC[C@@H](c2ccccc2)N1C1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168371902 850216360 /nfs/dbraw/zinc/21/63/60/850216360.db2.gz KEFVQDFLYLULSF-QFIPXVFZSA-N 1 3 383.536 3.519 20 0 GHADHO Cc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415003955 850279544 /nfs/dbraw/zinc/27/95/44/850279544.db2.gz NNMVHGDOZADUQA-SLYNCCJLSA-N 1 3 383.511 3.834 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000514838345 850348899 /nfs/dbraw/zinc/34/88/99/850348899.db2.gz OOMKZXVEOQEBCJ-KUDFPVQQSA-N 1 3 398.513 3.888 20 0 GHADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CN(Cc4ccccc4)CC34CCOCC4)C[C@H]2C1 ZINC000424348584 850377388 /nfs/dbraw/zinc/37/73/88/850377388.db2.gz LUPBDCIMVMBNHO-HUUMMWPTSA-N 1 3 398.591 3.708 20 0 GHADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCCC1)COc1cccc2[nH]ccc21 ZINC000514856074 850392102 /nfs/dbraw/zinc/39/21/02/850392102.db2.gz QAAADMLBTLDMQL-NRFANRHFSA-N 1 3 393.531 3.683 20 0 GHADHO CC1CCN([C@@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)c2cccs2)CC1 ZINC000514934612 850503610 /nfs/dbraw/zinc/50/36/10/850503610.db2.gz UZVIZRGSMMKRRJ-PMACEKPBSA-N 1 3 383.561 3.524 20 0 GHADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000519077508 850575192 /nfs/dbraw/zinc/57/51/92/850575192.db2.gz ITTZNKGUTMIPSU-ROUUACIJSA-N 1 3 380.602 3.551 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccco1 ZINC000487773778 850901559 /nfs/dbraw/zinc/90/15/59/850901559.db2.gz YWDYUVIUCNPIOM-YLJYHZDGSA-N 1 3 390.572 3.663 20 0 GHADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCN3C3CCCC3)cc2)C1 ZINC000440259926 850974258 /nfs/dbraw/zinc/97/42/58/850974258.db2.gz MJRCPTWWESTYME-XMSQKQJNSA-N 1 3 385.552 3.753 20 0 GHADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCN3C3CCCC3)cc2)C1 ZINC000440259926 850974265 /nfs/dbraw/zinc/97/42/65/850974265.db2.gz MJRCPTWWESTYME-XMSQKQJNSA-N 1 3 385.552 3.753 20 0 GHADHO CO[C@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000513903217 850995489 /nfs/dbraw/zinc/99/54/89/850995489.db2.gz BRAJUUKRGOTXGL-LLGFUMIMSA-N 1 3 380.960 3.849 20 0 GHADHO Cc1cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1-n1cncn1 ZINC000569979423 851148887 /nfs/dbraw/zinc/14/88/87/851148887.db2.gz SZLCOFOFJPWASH-DHIUTWEWSA-N 1 3 387.531 3.530 20 0 GHADHO Cc1cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1-n1cncn1 ZINC000569979423 851148893 /nfs/dbraw/zinc/14/88/93/851148893.db2.gz SZLCOFOFJPWASH-DHIUTWEWSA-N 1 3 387.531 3.530 20 0 GHADHO CCOc1cc2nccc(NCC3([NH+]4CCCC4)CCOCC3)c2cc1OCC ZINC000488209290 851271056 /nfs/dbraw/zinc/27/10/56/851271056.db2.gz KMRXHLMRZJJAGR-UHFFFAOYSA-N 1 3 399.535 3.511 20 0 GHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000514214401 851396987 /nfs/dbraw/zinc/39/69/87/851396987.db2.gz MYMMQPGMNDRKNP-PZJWPPBQSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000514214401 851396989 /nfs/dbraw/zinc/39/69/89/851396989.db2.gz MYMMQPGMNDRKNP-PZJWPPBQSA-N 1 3 386.584 3.633 20 0 GHADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000488322089 851408499 /nfs/dbraw/zinc/40/84/99/851408499.db2.gz IYRXMCGDDBSSGJ-JOCHJYFZSA-N 1 3 388.596 3.840 20 0 GHADHO CC(C)(C)OC(=O)NCC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCC1 ZINC001167971528 851530153 /nfs/dbraw/zinc/53/01/53/851530153.db2.gz XJBQPRLFDHMPSO-YQQQUEKLSA-N 1 3 377.573 3.819 20 0 GHADHO CC(C)(C)OC(=O)NCC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167971528 851530160 /nfs/dbraw/zinc/53/01/60/851530160.db2.gz XJBQPRLFDHMPSO-YQQQUEKLSA-N 1 3 377.573 3.819 20 0 GHADHO CC(C)(C)OC(=O)NCC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCCC1 ZINC001167971528 851530167 /nfs/dbraw/zinc/53/01/67/851530167.db2.gz XJBQPRLFDHMPSO-YQQQUEKLSA-N 1 3 377.573 3.819 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC(C)(C)c4ccccc43)CC2)CC1 ZINC000102009651 852088018 /nfs/dbraw/zinc/08/80/18/852088018.db2.gz UZKMDGCUANGUAL-QFIPXVFZSA-N 1 3 398.595 3.657 20 0 GHADHO COCCOc1cccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000516347927 852452586 /nfs/dbraw/zinc/45/25/86/852452586.db2.gz JTYLQFCPKYESEX-DEOSSOPVSA-N 1 3 380.532 3.810 20 0 GHADHO COCCOc1cccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000516347927 852452589 /nfs/dbraw/zinc/45/25/89/852452589.db2.gz JTYLQFCPKYESEX-DEOSSOPVSA-N 1 3 380.532 3.810 20 0 GHADHO C[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001167984504 852538810 /nfs/dbraw/zinc/53/88/10/852538810.db2.gz PJOFSJAKVRUQCS-CMZZOHRZSA-N 1 3 391.600 3.875 20 0 GHADHO C[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001167984504 852538817 /nfs/dbraw/zinc/53/88/17/852538817.db2.gz PJOFSJAKVRUQCS-CMZZOHRZSA-N 1 3 391.600 3.875 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C[C@H](C)O1 ZINC000427540472 853200303 /nfs/dbraw/zinc/20/03/03/853200303.db2.gz MSNOVPXDHZWYNP-DAYGRLMNSA-N 1 3 385.474 3.957 20 0 GHADHO CC(C)Cc1ccc([C@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000437643910 853356081 /nfs/dbraw/zinc/35/60/81/853356081.db2.gz DEUPWWCRMUEEKQ-XMMPIXPASA-N 1 3 385.596 3.915 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490965914 853375773 /nfs/dbraw/zinc/37/57/73/853375773.db2.gz OAFWYGIRBFGDFW-REWPJTCUSA-N 1 3 379.548 3.937 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490965914 853375781 /nfs/dbraw/zinc/37/57/81/853375781.db2.gz OAFWYGIRBFGDFW-REWPJTCUSA-N 1 3 379.548 3.937 20 0 GHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754593 853463393 /nfs/dbraw/zinc/46/33/93/853463393.db2.gz WRXNIFSDMAASRD-MSOLQXFVSA-N 1 3 385.577 3.952 20 0 GHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754593 853463397 /nfs/dbraw/zinc/46/33/97/853463397.db2.gz WRXNIFSDMAASRD-MSOLQXFVSA-N 1 3 385.577 3.952 20 0 GHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754593 853463404 /nfs/dbraw/zinc/46/34/04/853463404.db2.gz WRXNIFSDMAASRD-MSOLQXFVSA-N 1 3 385.577 3.952 20 0 GHADHO CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167964493 853629306 /nfs/dbraw/zinc/62/93/06/853629306.db2.gz RHJFYIXWFLIOIO-VVQVYFJTSA-N 1 3 389.584 3.817 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415975314 853659914 /nfs/dbraw/zinc/65/99/14/853659914.db2.gz SSFHWPWELYNNEU-UHFFFAOYSA-N 1 3 386.462 3.894 20 0 GHADHO CN1C(=O)C2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC001167993762 854391673 /nfs/dbraw/zinc/39/16/73/854391673.db2.gz RNJYOELQIKNORL-KORDQABASA-N 1 3 393.575 3.687 20 0 GHADHO CN1C(=O)C2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC001167993762 854391680 /nfs/dbraw/zinc/39/16/80/854391680.db2.gz RNJYOELQIKNORL-KORDQABASA-N 1 3 393.575 3.687 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000069180967 854654815 /nfs/dbraw/zinc/65/48/15/854654815.db2.gz VDASIRPOVWVTBH-FQEVSTJZSA-N 1 3 383.561 3.911 20 0 GHADHO O[C@H](CN1CC[C@@H](C[NH+]2CCCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000441462499 855016409 /nfs/dbraw/zinc/01/64/09/855016409.db2.gz IQUWYBBBPAAISO-LEWJYISDSA-N 1 3 391.559 3.963 20 0 GHADHO O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000441462499 855016420 /nfs/dbraw/zinc/01/64/20/855016420.db2.gz IQUWYBBBPAAISO-LEWJYISDSA-N 1 3 391.559 3.963 20 0 GHADHO O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000441462499 855016426 /nfs/dbraw/zinc/01/64/26/855016426.db2.gz IQUWYBBBPAAISO-LEWJYISDSA-N 1 3 391.559 3.963 20 0 GHADHO CN1c2ccc(C[N@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)cc2CCC1=O ZINC000186967301 862642811 /nfs/dbraw/zinc/64/28/11/862642811.db2.gz NBGQYXVMTZIDHX-OAQYLSRUSA-N 1 3 377.532 3.550 20 0 GHADHO CN1c2ccc(C[N@@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)cc2CCC1=O ZINC000186967301 862642816 /nfs/dbraw/zinc/64/28/16/862642816.db2.gz NBGQYXVMTZIDHX-OAQYLSRUSA-N 1 3 377.532 3.550 20 0 GHADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)cc1 ZINC000520512002 855555252 /nfs/dbraw/zinc/55/52/52/855555252.db2.gz LFZNVGOZKSSACZ-OAQYLSRUSA-N 1 3 375.557 3.856 20 0 GHADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000573121459 855851845 /nfs/dbraw/zinc/85/18/45/855851845.db2.gz DDOYWBFUMRDRKE-RXVVDRJESA-N 1 3 393.531 3.687 20 0 GHADHO Brc1cnn(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001168005496 855922064 /nfs/dbraw/zinc/92/20/64/855922064.db2.gz JCJXDLPKGVEUIW-DFNIBXOVSA-N 1 3 393.373 3.688 20 0 GHADHO Brc1cnn(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168005496 855922070 /nfs/dbraw/zinc/92/20/70/855922070.db2.gz JCJXDLPKGVEUIW-DFNIBXOVSA-N 1 3 393.373 3.688 20 0 GHADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000729525009 856233775 /nfs/dbraw/zinc/23/37/75/856233775.db2.gz COMUKSZKYUVEDB-UXHICEINSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000729525009 856233789 /nfs/dbraw/zinc/23/37/89/856233789.db2.gz COMUKSZKYUVEDB-UXHICEINSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000520751416 856339237 /nfs/dbraw/zinc/33/92/37/856339237.db2.gz BBRNQYTXWRPSNT-KURKYZTESA-N 1 3 391.987 3.930 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000674591940 856476116 /nfs/dbraw/zinc/47/61/16/856476116.db2.gz CXHPLANVAKOYCM-NRFANRHFSA-N 1 3 383.580 3.764 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000674591940 856476120 /nfs/dbraw/zinc/47/61/20/856476120.db2.gz CXHPLANVAKOYCM-NRFANRHFSA-N 1 3 383.580 3.764 20 0 GHADHO CCOc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000485436270 856525670 /nfs/dbraw/zinc/52/56/70/856525670.db2.gz KQMSBWWNLXYRSA-NRFANRHFSA-N 1 3 395.547 3.868 20 0 GHADHO CCOc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000485436270 856525683 /nfs/dbraw/zinc/52/56/83/856525683.db2.gz KQMSBWWNLXYRSA-NRFANRHFSA-N 1 3 395.547 3.868 20 0 GHADHO COc1ccc(C[C@@H](C)C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1F ZINC000668511180 856737013 /nfs/dbraw/zinc/73/70/13/856737013.db2.gz CWFANFWFLWWENI-GOSISDBHSA-N 1 3 385.527 3.910 20 0 GHADHO Cc1cc2c(cc1C)[C@H](N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CCS2 ZINC000427873565 856808331 /nfs/dbraw/zinc/80/83/31/856808331.db2.gz ZSITZLVZUHHNLF-MOPGFXCFSA-N 1 3 377.598 3.522 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2)CC1 ZINC000485612517 856831644 /nfs/dbraw/zinc/83/16/44/856831644.db2.gz HSOKHMINWIXKEE-XPWALMASSA-N 1 3 398.595 3.585 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2)CC1 ZINC000485612517 856831653 /nfs/dbraw/zinc/83/16/53/856831653.db2.gz HSOKHMINWIXKEE-XPWALMASSA-N 1 3 398.595 3.585 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000181409359 862866520 /nfs/dbraw/zinc/86/65/20/862866520.db2.gz BLOQOCVBOWANAF-JVPBZIDWSA-N 1 3 381.358 3.868 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000592850661 857109498 /nfs/dbraw/zinc/10/94/98/857109498.db2.gz JARUHSQUGDTZFM-ROUUACIJSA-N 1 3 387.490 3.791 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000592850660 857109767 /nfs/dbraw/zinc/10/97/67/857109767.db2.gz JARUHSQUGDTZFM-QZTJIDSGSA-N 1 3 387.490 3.791 20 0 GHADHO CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cc(F)cc(Br)c1 ZINC000181500569 862903459 /nfs/dbraw/zinc/90/34/59/862903459.db2.gz XESGCUXLZKHAJG-KSSFIOAISA-N 1 3 386.353 3.655 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000061784100 857540945 /nfs/dbraw/zinc/54/09/45/857540945.db2.gz XQQDWKJRJKXDRV-UHFFFAOYSA-N 1 3 375.532 3.561 20 0 GHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000442879479 858201357 /nfs/dbraw/zinc/20/13/57/858201357.db2.gz WJCHYAWRYPCXTL-HXUWFJFHSA-N 1 3 381.564 3.942 20 0 GHADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000443077996 858352713 /nfs/dbraw/zinc/35/27/13/858352713.db2.gz VTIJXLREAOFMEH-JTSKRJEESA-N 1 3 385.939 3.606 20 0 GHADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000183313016 858718323 /nfs/dbraw/zinc/71/83/23/858718323.db2.gz YUISHVFLTJEXSI-VWLOTQADSA-N 1 3 393.575 3.754 20 0 GHADHO COc1ccc(Oc2ccc(C[NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)cc2)cc1 ZINC000543240982 858985125 /nfs/dbraw/zinc/98/51/25/858985125.db2.gz YYNYTORQGIGTJF-DNQXCXABSA-N 1 3 396.531 3.955 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)C3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000172929678 859046789 /nfs/dbraw/zinc/04/67/89/859046789.db2.gz HMTYHJDXQWWDCP-UHFFFAOYSA-N 1 3 383.580 3.635 20 0 GHADHO C[C@H](NC[C@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768346 859126548 /nfs/dbraw/zinc/12/65/48/859126548.db2.gz ZZAGMIKGRYBFEF-KVSKMBFKSA-N 1 3 384.486 3.851 20 0 GHADHO C[C@H](NC[C@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185768346 859126559 /nfs/dbraw/zinc/12/65/59/859126559.db2.gz ZZAGMIKGRYBFEF-KVSKMBFKSA-N 1 3 384.486 3.851 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc4ccccc43)CC2)CC1 ZINC000654456345 859220700 /nfs/dbraw/zinc/22/07/00/859220700.db2.gz YQTJFKPLDFFBBH-UHFFFAOYSA-N 1 3 379.548 3.652 20 0 GHADHO C[C@H](CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543379249 859472082 /nfs/dbraw/zinc/47/20/82/859472082.db2.gz HKZNKMFOSOMODM-RTWAWAEBSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613306 859493836 /nfs/dbraw/zinc/49/38/36/859493836.db2.gz XQQBVXNVJXTIGU-RDPSFJRHSA-N 1 3 378.564 3.719 20 0 GHADHO CC[NH+](CC)CCOC1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000543395272 859547658 /nfs/dbraw/zinc/54/76/58/859547658.db2.gz XDNNYNMPRQKPNK-UHFFFAOYSA-N 1 3 376.589 3.791 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C[C@H]1C ZINC000483761011 859595840 /nfs/dbraw/zinc/59/58/40/859595840.db2.gz PZWCNGXZQUHNNT-HJNYFJLDSA-N 1 3 386.584 3.646 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C[C@H]1C ZINC000483761011 859595843 /nfs/dbraw/zinc/59/58/43/859595843.db2.gz PZWCNGXZQUHNNT-HJNYFJLDSA-N 1 3 386.584 3.646 20 0 GHADHO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000483955924 859710935 /nfs/dbraw/zinc/71/09/35/859710935.db2.gz FIIHTDLQISZSTN-OYRHEFFESA-N 1 3 396.579 3.892 20 0 GHADHO C[C@@H]1CC(N[C@H]2CCN(Cc3ccncc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032543 859784241 /nfs/dbraw/zinc/78/42/41/859784241.db2.gz HWJXKLHNYDTYRT-VIZSFHNOSA-N 1 3 378.564 3.687 20 0 GHADHO COCc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856561915 881468549 /nfs/dbraw/zinc/46/85/49/881468549.db2.gz XIUJTLTVSOBFFK-QHCPKHFHSA-N 1 3 383.536 3.722 20 0 GHADHO COCc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856561915 881468551 /nfs/dbraw/zinc/46/85/51/881468551.db2.gz XIUJTLTVSOBFFK-QHCPKHFHSA-N 1 3 383.536 3.722 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000466525424 859850655 /nfs/dbraw/zinc/85/06/55/859850655.db2.gz HZDWBDWWPBKHBC-KNQAVFIVSA-N 1 3 398.595 3.746 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000522448107 860311529 /nfs/dbraw/zinc/31/15/29/860311529.db2.gz OKGJAXFSHIYFEC-UHFFFAOYSA-N 1 3 386.584 3.544 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000522448107 860311532 /nfs/dbraw/zinc/31/15/32/860311532.db2.gz OKGJAXFSHIYFEC-UHFFFAOYSA-N 1 3 386.584 3.544 20 0 GHADHO C[C@@H]1C[N@@H+](CCCCNCc2c(Cl)cccc2OC(F)F)C[C@H](C)O1 ZINC000602911557 860344085 /nfs/dbraw/zinc/34/40/85/860344085.db2.gz WJILJMYESFMHFC-OKILXGFUSA-N 1 3 376.875 3.920 20 0 GHADHO C[C@@H]1C[N@H+](CCCCNCc2c(Cl)cccc2OC(F)F)C[C@H](C)O1 ZINC000602911557 860344098 /nfs/dbraw/zinc/34/40/98/860344098.db2.gz WJILJMYESFMHFC-OKILXGFUSA-N 1 3 376.875 3.920 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)cccc2OC(F)F)C[C@H](C)O1 ZINC000602911557 860344111 /nfs/dbraw/zinc/34/41/11/860344111.db2.gz WJILJMYESFMHFC-OKILXGFUSA-N 1 3 376.875 3.920 20 0 GHADHO Cc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2cnn(C)c2)c1 ZINC000904470957 860463706 /nfs/dbraw/zinc/46/37/06/860463706.db2.gz DKKHNJTYIHSJOR-UPVQGACJSA-N 1 3 388.515 3.741 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNCc2cc(C(=O)OC)c3n2CCCC3)c1 ZINC000598638947 860466553 /nfs/dbraw/zinc/46/65/53/860466553.db2.gz DTLRXFCKSXWCDY-UHFFFAOYSA-N 1 3 383.536 3.743 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)Cc3ccc(C)cc3C)CC2)CC1 ZINC000654761761 860568881 /nfs/dbraw/zinc/56/88/81/860568881.db2.gz JFQNLGRFMOAJBU-FQEVSTJZSA-N 1 3 385.596 3.547 20 0 GHADHO CSC1(CNCc2cccc(F)c2OCC(F)(F)F)CC[NH+](C)CC1 ZINC000598974129 860708868 /nfs/dbraw/zinc/70/88/68/860708868.db2.gz MYNNWXDNXWKSKC-UHFFFAOYSA-N 1 3 380.451 3.684 20 0 GHADHO Cc1ccc(OCC[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856600170 881574646 /nfs/dbraw/zinc/57/46/46/881574646.db2.gz WYPADJSDFOBTRG-QHCPKHFHSA-N 1 3 383.536 3.762 20 0 GHADHO Cc1ccc(OCC[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856600170 881574663 /nfs/dbraw/zinc/57/46/63/881574663.db2.gz WYPADJSDFOBTRG-QHCPKHFHSA-N 1 3 383.536 3.762 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCOc3ccccc3)C2)ccn1 ZINC000856600058 881575454 /nfs/dbraw/zinc/57/54/54/881575454.db2.gz VVDCFORBRRGERN-QHCPKHFHSA-N 1 3 383.536 3.844 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCOc3ccccc3)C2)ccn1 ZINC000856600058 881575461 /nfs/dbraw/zinc/57/54/61/881575461.db2.gz VVDCFORBRRGERN-QHCPKHFHSA-N 1 3 383.536 3.844 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603881 881578628 /nfs/dbraw/zinc/57/86/28/881578628.db2.gz GAIVJOVKRAARRH-FCHUYYIVSA-N 1 3 387.568 3.867 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603881 881578638 /nfs/dbraw/zinc/57/86/38/881578638.db2.gz GAIVJOVKRAARRH-FCHUYYIVSA-N 1 3 387.568 3.867 20 0 GHADHO c1[nH]nc2cccc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CC34CCOCC4)c12 ZINC000623532962 861145874 /nfs/dbraw/zinc/14/58/74/861145874.db2.gz NRQUZAGKZNCEMA-OAQYLSRUSA-N 1 3 390.531 3.581 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000182449555 863231757 /nfs/dbraw/zinc/23/17/57/863231757.db2.gz PNYWRXPDLJOCDW-UIFIKXQLSA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000182449555 863231770 /nfs/dbraw/zinc/23/17/70/863231770.db2.gz PNYWRXPDLJOCDW-UIFIKXQLSA-N 1 3 378.582 3.506 20 0 GHADHO CN(C)Cc1cnc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898518750 864079115 /nfs/dbraw/zinc/07/91/15/864079115.db2.gz KXRKIRMPHBHGFU-HSALFYBXSA-N 1 3 384.593 3.595 20 0 GHADHO CN(C)Cc1cnc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898518750 864079131 /nfs/dbraw/zinc/07/91/31/864079131.db2.gz KXRKIRMPHBHGFU-HSALFYBXSA-N 1 3 384.593 3.595 20 0 GHADHO FC(F)(F)Cn1ccnc1CN[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522738 864090586 /nfs/dbraw/zinc/09/05/86/864090586.db2.gz SVPCHFMXPLAEQV-QYZOEREBSA-N 1 3 392.469 3.836 20 0 GHADHO FC(F)(F)Cn1ccnc1CN[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522738 864090600 /nfs/dbraw/zinc/09/06/00/864090600.db2.gz SVPCHFMXPLAEQV-QYZOEREBSA-N 1 3 392.469 3.836 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000475120247 864221974 /nfs/dbraw/zinc/22/19/74/864221974.db2.gz QSZWKOKAUGKNLT-HSZRJFAPSA-N 1 3 394.563 3.554 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000475120247 864221995 /nfs/dbraw/zinc/22/19/95/864221995.db2.gz QSZWKOKAUGKNLT-HSZRJFAPSA-N 1 3 394.563 3.554 20 0 GHADHO C[NH+](C)Cc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000063149011 864226473 /nfs/dbraw/zinc/22/64/73/864226473.db2.gz NVWFIWAGXMKTKV-UHFFFAOYSA-N 1 3 382.577 3.699 20 0 GHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](c2ccccc2)C1 ZINC000480208659 864270099 /nfs/dbraw/zinc/27/00/99/864270099.db2.gz XBVBFYZBLWYIIH-NFBKMPQASA-N 1 3 391.559 3.645 20 0 GHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000164452861 864614245 /nfs/dbraw/zinc/61/42/45/864614245.db2.gz FWECZAXDJQFTJF-SFHVURJKSA-N 1 3 395.613 3.632 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)CC1 ZINC000480478559 864724340 /nfs/dbraw/zinc/72/43/40/864724340.db2.gz CQNLCPMRFFWMBM-JOCHJYFZSA-N 1 3 395.595 3.643 20 0 GHADHO CO[C@H](C)[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480748183 865192791 /nfs/dbraw/zinc/19/27/91/865192791.db2.gz WEIIRJJCVBIZIP-DLBZAZTESA-N 1 3 387.490 3.621 20 0 GHADHO COc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)N2CCCC2)cc1 ZINC000480824678 865358178 /nfs/dbraw/zinc/35/81/78/865358178.db2.gz PRPPHCUBGWDMEX-REWPJTCUSA-N 1 3 399.579 3.603 20 0 GHADHO COc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)N2CCCC2)cc1 ZINC000480824678 865358193 /nfs/dbraw/zinc/35/81/93/865358193.db2.gz PRPPHCUBGWDMEX-REWPJTCUSA-N 1 3 399.579 3.603 20 0 GHADHO CC[N@H+](CCC1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1)CC1CC1 ZINC001168425090 865475875 /nfs/dbraw/zinc/47/58/75/865475875.db2.gz ZMOKEFRJFCGUSM-QFIPXVFZSA-N 1 3 391.600 3.974 20 0 GHADHO CC[N@@H+](CCC1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1)CC1CC1 ZINC001168425090 865475882 /nfs/dbraw/zinc/47/58/82/865475882.db2.gz ZMOKEFRJFCGUSM-QFIPXVFZSA-N 1 3 391.600 3.974 20 0 GHADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000608684921 865555821 /nfs/dbraw/zinc/55/58/21/865555821.db2.gz CNZZAKSTQQRWKW-VXKWHMMOSA-N 1 3 386.584 3.729 20 0 GHADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000608684921 865555825 /nfs/dbraw/zinc/55/58/25/865555825.db2.gz CNZZAKSTQQRWKW-VXKWHMMOSA-N 1 3 386.584 3.729 20 0 GHADHO CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCN(C)[C@H]3c3ccccc3)CC2)CC1 ZINC000533984867 865700225 /nfs/dbraw/zinc/70/02/25/865700225.db2.gz AKIFSAMSWDFTBQ-HDJSHQJTSA-N 1 3 398.595 3.774 20 0 GHADHO C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H](c1ccccc1)N(C)C ZINC000478728156 866560697 /nfs/dbraw/zinc/56/06/97/866560697.db2.gz WDUSRXVAJIEORW-CVDCTZTESA-N 1 3 394.563 3.773 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000478750751 866588749 /nfs/dbraw/zinc/58/87/49/866588749.db2.gz OQSLTLSQPUMROI-NQIIRXRSSA-N 1 3 398.551 3.804 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000553143900 866873938 /nfs/dbraw/zinc/87/39/38/866873938.db2.gz SQROJXSTYRIIAC-VWNXMTODSA-N 1 3 397.607 3.710 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C[C@H](C)O1 ZINC000479054458 867066506 /nfs/dbraw/zinc/06/65/06/867066506.db2.gz GHMWCKWVBLKNMQ-JQVVWYNYSA-N 1 3 382.552 3.729 20 0 GHADHO CN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000857153241 882061671 /nfs/dbraw/zinc/06/16/71/882061671.db2.gz UTNCMRWHDHQOTN-ZEQRLZLVSA-N 1 3 391.559 3.842 20 0 GHADHO CN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000857153241 882061688 /nfs/dbraw/zinc/06/16/88/882061688.db2.gz UTNCMRWHDHQOTN-ZEQRLZLVSA-N 1 3 391.559 3.842 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000154214461 867302924 /nfs/dbraw/zinc/30/29/24/867302924.db2.gz UGEFOTWVOYFRSF-OAQYLSRUSA-N 1 3 381.564 3.944 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000523784375 867958314 /nfs/dbraw/zinc/95/83/14/867958314.db2.gz SUXLHDAPPRLYRL-RBUKOAKNSA-N 1 3 392.613 3.504 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000523784375 867958325 /nfs/dbraw/zinc/95/83/25/867958325.db2.gz SUXLHDAPPRLYRL-RBUKOAKNSA-N 1 3 392.613 3.504 20 0 GHADHO Cc1cc(C)cc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156887379 868492355 /nfs/dbraw/zinc/49/23/55/868492355.db2.gz GTLKCZPCZPVMMS-KNQAVFIVSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1cc(C)cc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156887379 868492360 /nfs/dbraw/zinc/49/23/60/868492360.db2.gz GTLKCZPCZPVMMS-KNQAVFIVSA-N 1 3 379.548 3.852 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1cccs1)N1CCOCC1 ZINC000479856851 868608226 /nfs/dbraw/zinc/60/82/26/868608226.db2.gz ZYFZTVHXGJOMQJ-CEMLEFRQSA-N 1 3 399.604 3.622 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1cccs1)N1CCOCC1 ZINC000479856851 868608228 /nfs/dbraw/zinc/60/82/28/868608228.db2.gz ZYFZTVHXGJOMQJ-CEMLEFRQSA-N 1 3 399.604 3.622 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000540045004 870292944 /nfs/dbraw/zinc/29/29/44/870292944.db2.gz YNAVBONVZQIUKP-HSZRJFAPSA-N 1 3 392.547 3.816 20 0 GHADHO CC[C@H](CO)[NH+]1CCN(c2c(C)c(C)nc3ccc(Br)cc32)CC1 ZINC000462934627 870487319 /nfs/dbraw/zinc/48/73/19/870487319.db2.gz CPHYGWUIYWLEPN-MRXNPFEDSA-N 1 3 392.341 3.507 20 0 GHADHO C[C@H](NC[C@H](O)CO[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248598537 870525038 /nfs/dbraw/zinc/52/50/38/870525038.db2.gz UJEPUHBBCSXACN-FVSDWULHSA-N 1 3 386.580 3.684 20 0 GHADHO C[C@H](NC[C@H](O)CO[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248598537 870525061 /nfs/dbraw/zinc/52/50/61/870525061.db2.gz UJEPUHBBCSXACN-FVSDWULHSA-N 1 3 386.580 3.684 20 0 GHADHO C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000248598537 870525080 /nfs/dbraw/zinc/52/50/80/870525080.db2.gz UJEPUHBBCSXACN-FVSDWULHSA-N 1 3 386.580 3.684 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(Br)cs1 ZINC000248723816 870608786 /nfs/dbraw/zinc/60/87/86/870608786.db2.gz HAOLMBULBTVGAE-CXAGYDPISA-N 1 3 395.366 3.928 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Br)cs1 ZINC000248723816 870608792 /nfs/dbraw/zinc/60/87/92/870608792.db2.gz HAOLMBULBTVGAE-CXAGYDPISA-N 1 3 395.366 3.928 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540160563 870624186 /nfs/dbraw/zinc/62/41/86/870624186.db2.gz NZFIOFIDCDKCCC-IPMKNSEASA-N 1 3 397.332 3.543 20 0 GHADHO C[C@H]1C[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000174126512 882428472 /nfs/dbraw/zinc/42/84/72/882428472.db2.gz IXCQAFRHUNLCGV-WMZHIEFXSA-N 1 3 379.548 3.873 20 0 GHADHO C[C@H]1C[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000174126512 882428481 /nfs/dbraw/zinc/42/84/81/882428481.db2.gz IXCQAFRHUNLCGV-WMZHIEFXSA-N 1 3 379.548 3.873 20 0 GHADHO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000461698073 870752863 /nfs/dbraw/zinc/75/28/63/870752863.db2.gz KDZRHJXVKFWFOA-UZLBHIALSA-N 1 3 399.501 3.534 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@H]3O)CC1)CCCS2 ZINC000249215777 870791520 /nfs/dbraw/zinc/79/15/20/870791520.db2.gz ZXMSZUIJKBWRSN-NJDAHSKKSA-N 1 3 390.593 3.980 20 0 GHADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000463137396 870985242 /nfs/dbraw/zinc/98/52/42/870985242.db2.gz QPOLIDRTTWBIDG-SQJMNOBHSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(CN3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137396 870985261 /nfs/dbraw/zinc/98/52/61/870985261.db2.gz QPOLIDRTTWBIDG-SQJMNOBHSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(CN3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137396 870985287 /nfs/dbraw/zinc/98/52/87/870985287.db2.gz QPOLIDRTTWBIDG-SQJMNOBHSA-N 1 3 393.575 3.662 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463191727 871097064 /nfs/dbraw/zinc/09/70/64/871097064.db2.gz NSXRIZYAAVSWEA-UYAOXDASSA-N 1 3 384.520 3.725 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463191727 871097078 /nfs/dbraw/zinc/09/70/78/871097078.db2.gz NSXRIZYAAVSWEA-UYAOXDASSA-N 1 3 384.520 3.725 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001169101252 871175171 /nfs/dbraw/zinc/17/51/71/871175171.db2.gz PWIPYXOLKXJAPX-MXEMCNAFSA-N 1 3 385.552 3.563 20 0 GHADHO COc1cccc(C[C@H](NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc2)c1 ZINC000539060275 871201204 /nfs/dbraw/zinc/20/12/04/871201204.db2.gz TYMVAVWOUUWNJF-CCDWMCETSA-N 1 3 394.559 3.946 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(c3ccc(Br)cc3)CCOCC1)C2 ZINC001169114981 871234645 /nfs/dbraw/zinc/23/46/45/871234645.db2.gz FWILPPRGGVEGMU-NNZMDNLPSA-N 1 3 379.342 3.670 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(c3ccc(Br)cc3)CCOCC1)C2 ZINC001169114981 871234677 /nfs/dbraw/zinc/23/46/77/871234677.db2.gz FWILPPRGGVEGMU-NNZMDNLPSA-N 1 3 379.342 3.670 20 0 GHADHO COC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000539073515 871261187 /nfs/dbraw/zinc/26/11/87/871261187.db2.gz MGQARQFHMSNTFG-FCEWJHQRSA-N 1 3 388.474 3.872 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC001193807085 871318824 /nfs/dbraw/zinc/31/88/24/871318824.db2.gz HHJXOZWOYWTYMI-LJQANCHMSA-N 1 3 386.584 3.525 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC001193807085 871318844 /nfs/dbraw/zinc/31/88/44/871318844.db2.gz HHJXOZWOYWTYMI-LJQANCHMSA-N 1 3 386.584 3.525 20 0 GHADHO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001169539931 871617208 /nfs/dbraw/zinc/61/72/08/871617208.db2.gz KZNYRFQTRNWBFD-XMSQKQJNSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001169539931 871617217 /nfs/dbraw/zinc/61/72/17/871617217.db2.gz KZNYRFQTRNWBFD-XMSQKQJNSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@H](NCc1ccc(Cl)cc1I)C1CC[NH+](C)CC1 ZINC000618578867 871730662 /nfs/dbraw/zinc/73/06/62/871730662.db2.gz QJQJCRHSZUGDER-NSHDSACASA-N 1 3 392.712 3.765 20 0 GHADHO CN(C)Cc1cccc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000525957107 871793593 /nfs/dbraw/zinc/79/35/93/871793593.db2.gz FVXNCPPFDOSKFU-ZJSXRUAMSA-N 1 3 377.532 3.989 20 0 GHADHO CN(C)Cc1cccc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000525957107 871793604 /nfs/dbraw/zinc/79/36/04/871793604.db2.gz FVXNCPPFDOSKFU-ZJSXRUAMSA-N 1 3 377.532 3.989 20 0 GHADHO COC(=O)c1coc([C@H](C)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000447541378 871810755 /nfs/dbraw/zinc/81/07/55/871810755.db2.gz GEUKSOXORJNYJG-IBGZPJMESA-N 1 3 399.535 3.628 20 0 GHADHO COC(=O)c1coc([C@H](C)[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000447541378 871810768 /nfs/dbraw/zinc/81/07/68/871810768.db2.gz GEUKSOXORJNYJG-IBGZPJMESA-N 1 3 399.535 3.628 20 0 GHADHO C[NH+](C)CCOCCN[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000447597000 871908141 /nfs/dbraw/zinc/90/81/41/871908141.db2.gz RMBFWVRRSMCPLT-IBGZPJMESA-N 1 3 377.326 3.706 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734990 872371011 /nfs/dbraw/zinc/37/10/11/872371011.db2.gz YEIZTUXRXNFSBW-UHFFFAOYSA-N 1 3 382.552 3.566 20 0 GHADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000152849605 872913378 /nfs/dbraw/zinc/91/33/78/872913378.db2.gz VVHMCRXRIRDTAS-KBAYOESNSA-N 1 3 385.474 3.545 20 0 GHADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000152849605 872913385 /nfs/dbraw/zinc/91/33/85/872913385.db2.gz VVHMCRXRIRDTAS-KBAYOESNSA-N 1 3 385.474 3.545 20 0 GHADHO CCCCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)CCC ZINC000176289542 882674112 /nfs/dbraw/zinc/67/41/12/882674112.db2.gz QUDPPMFOASFBEL-IBGZPJMESA-N 1 3 380.621 3.935 20 0 GHADHO Cc1cccc([C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(C)C)c1 ZINC000527724709 873499436 /nfs/dbraw/zinc/49/94/36/873499436.db2.gz JLRNIDJHIAGONB-JOCHJYFZSA-N 1 3 386.584 3.550 20 0 GHADHO CC[NH+](CC)Cc1cccc(CN[C@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000541545831 873807911 /nfs/dbraw/zinc/80/79/11/873807911.db2.gz LWGUYKFVIAYPDJ-RUZDIDTESA-N 1 3 395.591 4.000 20 0 GHADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550882713 882762395 /nfs/dbraw/zinc/76/23/95/882762395.db2.gz RPBSTDWMQMEIMH-ZRBLBEILSA-N 1 3 386.580 3.710 20 0 GHADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550882710 882762566 /nfs/dbraw/zinc/76/25/66/882762566.db2.gz RPBSTDWMQMEIMH-RJGXRXQPSA-N 1 3 386.580 3.710 20 0 GHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769196259 873877890 /nfs/dbraw/zinc/87/78/90/873877890.db2.gz UGAZQZGKCCNTCL-FQEVSTJZSA-N 1 3 389.584 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769196259 873877905 /nfs/dbraw/zinc/87/79/05/873877905.db2.gz UGAZQZGKCCNTCL-FQEVSTJZSA-N 1 3 389.584 3.991 20 0 GHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769513515 874121074 /nfs/dbraw/zinc/12/10/74/874121074.db2.gz BEQUUCBQXSXONO-KRWDZBQOSA-N 1 3 376.570 3.549 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccccc4)CCCCCC3)CC2)CC1 ZINC000528315098 874365443 /nfs/dbraw/zinc/36/54/43/874365443.db2.gz KWVYOBHOPCWSKE-UHFFFAOYSA-N 1 3 397.607 3.953 20 0 GHADHO C[C@H](NCc1ccnn1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000449130770 874516628 /nfs/dbraw/zinc/51/66/28/874516628.db2.gz HSLBHIPRNPNNEQ-KRWDZBQOSA-N 1 3 385.531 3.740 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000449632157 875177440 /nfs/dbraw/zinc/17/74/40/875177440.db2.gz XIWCZYPBLZPGDP-CTNGQTDRSA-N 1 3 385.577 3.900 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc2ccc(Cl)cc2c1C ZINC000303184788 875204419 /nfs/dbraw/zinc/20/44/19/875204419.db2.gz ZBCWISWOVMTEMU-KRWDZBQOSA-N 1 3 391.943 3.883 20 0 GHADHO COCCOc1ccc(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001200990624 875450467 /nfs/dbraw/zinc/45/04/67/875450467.db2.gz YRLFYNXQOCJYRY-GZOXUSKESA-N 1 3 382.548 3.958 20 0 GHADHO COCCOc1ccc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001200990624 875450473 /nfs/dbraw/zinc/45/04/73/875450473.db2.gz YRLFYNXQOCJYRY-GZOXUSKESA-N 1 3 382.548 3.958 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000449966731 875716679 /nfs/dbraw/zinc/71/66/79/875716679.db2.gz RJBNODNKMUQNKM-FGZHOGPDSA-N 1 3 383.580 3.637 20 0 GHADHO Cc1cc(Br)cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000850357329 876847721 /nfs/dbraw/zinc/84/77/21/876847721.db2.gz FVPSDBMVRQMSRJ-FQEVSTJZSA-N 1 3 389.337 3.614 20 0 GHADHO Cc1cc(Br)cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000850357329 876847736 /nfs/dbraw/zinc/84/77/36/876847736.db2.gz FVPSDBMVRQMSRJ-FQEVSTJZSA-N 1 3 389.337 3.614 20 0 GHADHO CC1(C)CCc2cc(CNCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)ccc2O1 ZINC000850357899 876848547 /nfs/dbraw/zinc/84/85/47/876848547.db2.gz XVYCUUZTTQRERN-JOCHJYFZSA-N 1 3 380.532 3.647 20 0 GHADHO CC1(C)CCc2cc(CNCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)ccc2O1 ZINC000850357899 876848552 /nfs/dbraw/zinc/84/85/52/876848552.db2.gz XVYCUUZTTQRERN-JOCHJYFZSA-N 1 3 380.532 3.647 20 0 GHADHO C[C@H](CC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)N1CCCCC1 ZINC000542464042 877556308 /nfs/dbraw/zinc/55/63/08/877556308.db2.gz WLOZASPVYSXJSE-HSALFYBXSA-N 1 3 397.563 3.838 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176128745 878093173 /nfs/dbraw/zinc/09/31/73/878093173.db2.gz RBDYMWPNNBYZQQ-HSZRJFAPSA-N 1 3 398.595 3.920 20 0 GHADHO C[N@H+](Cc1ccccc1CNC(=O)NCCN1CCCCC1)C1CCCCC1 ZINC000615894982 878236418 /nfs/dbraw/zinc/23/64/18/878236418.db2.gz PFSQDELCTQXPNI-UHFFFAOYSA-N 1 3 386.584 3.736 20 0 GHADHO C[N@@H+](Cc1ccccc1CNC(=O)NCCN1CCCCC1)C1CCCCC1 ZINC000615894982 878236433 /nfs/dbraw/zinc/23/64/33/878236433.db2.gz PFSQDELCTQXPNI-UHFFFAOYSA-N 1 3 386.584 3.736 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2CCc4ccccc4C2)C3)cc1 ZINC000245657345 878299207 /nfs/dbraw/zinc/29/92/07/878299207.db2.gz DWRJBKJTQNKBNR-MPIKPJSNSA-N 1 3 375.560 3.830 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)OCC(=O)N3)cc1 ZINC000285570508 912344289 /nfs/dbraw/zinc/34/42/89/912344289.db2.gz HXGBFPPZDPNYQO-KRWDZBQOSA-N 1 3 397.519 3.589 20 0 GHADHO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000245786247 878591525 /nfs/dbraw/zinc/59/15/25/878591525.db2.gz VHXGBLGVAFMQRY-DENIHFKCSA-N 1 3 396.531 3.581 20 0 GHADHO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000245786247 878591540 /nfs/dbraw/zinc/59/15/40/878591540.db2.gz VHXGBLGVAFMQRY-DENIHFKCSA-N 1 3 396.531 3.581 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000530901469 878712560 /nfs/dbraw/zinc/71/25/60/878712560.db2.gz BZFVDFIBQRZXLG-WMLDXEAASA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000530901469 878712571 /nfs/dbraw/zinc/71/25/71/878712571.db2.gz BZFVDFIBQRZXLG-WMLDXEAASA-N 1 3 382.346 3.582 20 0 GHADHO Cc1cccc([C@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000452077209 878906630 /nfs/dbraw/zinc/90/66/30/878906630.db2.gz DEPSXXVYNPPGFB-VQTJNVASSA-N 1 3 379.548 3.815 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000853239559 878923027 /nfs/dbraw/zinc/92/30/27/878923027.db2.gz HWQHOFCPYPCYNC-IEBWSBKVSA-N 1 3 379.589 3.734 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285737405 912412775 /nfs/dbraw/zinc/41/27/75/912412775.db2.gz RAKTWQQHNFRJJO-QGZVFWFLSA-N 1 3 379.504 3.854 20 0 GHADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(I)cc1 ZINC000178257210 879060439 /nfs/dbraw/zinc/06/04/39/879060439.db2.gz BLVCNUBJWUNPBQ-CYBMUJFWSA-N 1 3 384.305 3.816 20 0 GHADHO COc1cccc(COCCN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000538307101 879226611 /nfs/dbraw/zinc/22/66/11/879226611.db2.gz VUUFABXUAUUDFZ-JOCHJYFZSA-N 1 3 396.531 3.790 20 0 GHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000246504602 879629484 /nfs/dbraw/zinc/62/94/84/879629484.db2.gz BZUMWTFAELFWBF-OXQOHEQNSA-N 1 3 385.939 3.888 20 0 GHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000246504602 879629499 /nfs/dbraw/zinc/62/94/99/879629499.db2.gz BZUMWTFAELFWBF-OXQOHEQNSA-N 1 3 385.939 3.888 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@H](OC)c3ccccc3)cc2)CC1 ZINC000493967662 879786045 /nfs/dbraw/zinc/78/60/45/879786045.db2.gz HNRCNBDTBXKIJI-RDPSFJRHSA-N 1 3 381.564 3.690 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](Nc2cccc(CN3CCSCC3)c2)[C@H](C)C1 ZINC000538588034 879799150 /nfs/dbraw/zinc/79/91/50/879799150.db2.gz LMNXWLAEXRQNTK-DENIHFKCSA-N 1 3 391.625 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](Nc2cccc(CN3CCSCC3)c2)[C@H](C)C1 ZINC000538588034 879799162 /nfs/dbraw/zinc/79/91/62/879799162.db2.gz LMNXWLAEXRQNTK-DENIHFKCSA-N 1 3 391.625 3.784 20 0 GHADHO CC[C@@H](CN[C@H](C)CC(=O)Nc1cccc(Br)c1)[NH+]1CCCC1 ZINC000531684891 880316455 /nfs/dbraw/zinc/31/64/55/880316455.db2.gz FJBYPTYENXBIQR-PBHICJAKSA-N 1 3 382.346 3.630 20 0 GHADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CN1CCCCC1 ZINC000531684666 880316739 /nfs/dbraw/zinc/31/67/39/880316739.db2.gz CVMJJWQJASTOAF-ROUUACIJSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@@H](CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000531684666 880316752 /nfs/dbraw/zinc/31/67/52/880316752.db2.gz CVMJJWQJASTOAF-ROUUACIJSA-N 1 3 379.976 3.789 20 0 GHADHO Cc1ccc(C)c2c1CCC[C@H]2NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000186148482 880803874 /nfs/dbraw/zinc/80/38/74/880803874.db2.gz GRHPNCQDROVPBK-JOCHJYFZSA-N 1 3 379.548 3.762 20 0 GHADHO CN1Cc2c(NC(=O)C34CCC[NH+]3CCC4)cccc2[C@H](c2ccccc2)C1 ZINC001183557804 912625017 /nfs/dbraw/zinc/62/50/17/912625017.db2.gz WDKYOIXRBVNJEW-FQEVSTJZSA-N 1 3 375.516 3.831 20 0 GHADHO O=C(NC1CC1)[C@H](NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000057932890 881201478 /nfs/dbraw/zinc/20/14/78/881201478.db2.gz IJJVBCSQHUSKNX-OAQYLSRUSA-N 1 3 383.561 3.570 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)N1CCCCCC1 ZINC000114264616 881230984 /nfs/dbraw/zinc/23/09/84/881230984.db2.gz VMOVBEBMGKLKCC-KRWDZBQOSA-N 1 3 390.547 3.559 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000120096298 881259895 /nfs/dbraw/zinc/25/98/95/881259895.db2.gz JTERWPMWBQIMRD-UWJYYQICSA-N 1 3 391.515 3.745 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000643522082 912728138 /nfs/dbraw/zinc/72/81/38/912728138.db2.gz HMPZULBKXRIZSX-YPMHNXCESA-N 1 3 377.838 3.808 20 0 GHADHO C[NH+](C)CCOc1cc(CN[C@H]2CCc3ccc(Br)cc32)ccn1 ZINC000193997084 883622827 /nfs/dbraw/zinc/62/28/27/883622827.db2.gz BTOLDDDOZMUEMR-SFHVURJKSA-N 1 3 390.325 3.562 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000898102528 884607820 /nfs/dbraw/zinc/60/78/20/884607820.db2.gz VKAQPXQNKIOVED-YFNVTMOMSA-N 1 3 399.579 3.932 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000666284777 884611793 /nfs/dbraw/zinc/61/17/93/884611793.db2.gz FEIZRVMIUICZRJ-NRFANRHFSA-N 1 3 395.547 3.650 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000666284777 884611801 /nfs/dbraw/zinc/61/18/01/884611801.db2.gz FEIZRVMIUICZRJ-NRFANRHFSA-N 1 3 395.547 3.650 20 0 GHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303018998 885428382 /nfs/dbraw/zinc/42/83/82/885428382.db2.gz OIAUMVFRDBENAC-RPWUZVMVSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303018998 885428390 /nfs/dbraw/zinc/42/83/90/885428390.db2.gz OIAUMVFRDBENAC-RPWUZVMVSA-N 1 3 391.559 3.852 20 0 GHADHO CC(C)Oc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170526166 885486673 /nfs/dbraw/zinc/48/66/73/885486673.db2.gz VRACPXXVZAHURT-UHFFFAOYSA-N 1 3 378.520 3.778 20 0 GHADHO CC[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2c(c1)CCCO2 ZINC000153537574 886178028 /nfs/dbraw/zinc/17/80/28/886178028.db2.gz FNNYBMIHRUXKMC-QFIPXVFZSA-N 1 3 395.547 3.544 20 0 GHADHO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCc2ccccc21 ZINC000499024294 886394735 /nfs/dbraw/zinc/39/47/35/886394735.db2.gz NCOIWJDIAJKORG-JOCHJYFZSA-N 1 3 395.572 3.793 20 0 GHADHO c1c(CC[NH2+][C@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000556892467 886520274 /nfs/dbraw/zinc/52/02/74/886520274.db2.gz NSCBVUNWMKBHJK-BVSLBCMMSA-N 1 3 396.604 3.812 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2COc3ccccc3[C@H]2O)ccc1OC ZINC000808729752 886745755 /nfs/dbraw/zinc/74/57/55/886745755.db2.gz OTJMALWAKOBYTQ-ITSWEJNFSA-N 1 3 384.520 3.682 20 0 GHADHO C[C@@H]1CN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000644160926 913079233 /nfs/dbraw/zinc/07/92/33/913079233.db2.gz KSZFGCMSJBKVKI-REWPJTCUSA-N 1 3 398.595 3.729 20 0 GHADHO C[C@@H]1CN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000644160926 913079247 /nfs/dbraw/zinc/07/92/47/913079247.db2.gz KSZFGCMSJBKVKI-REWPJTCUSA-N 1 3 398.595 3.729 20 0 GHADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000536548899 886988674 /nfs/dbraw/zinc/98/86/74/886988674.db2.gz WGNGXKMVGZQIQH-QHCPKHFHSA-N 1 3 398.595 3.605 20 0 GHADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC001184403162 913186519 /nfs/dbraw/zinc/18/65/19/913186519.db2.gz KMZQJFYUHSSTJT-NRFANRHFSA-N 1 3 399.966 3.930 20 0 GHADHO O[C@@H](CNc1[nH+]ccc2c1CCN2)CN(Cc1ccccc1)Cc1ccccc1 ZINC001170595940 888143325 /nfs/dbraw/zinc/14/33/25/888143325.db2.gz SVFVDECBHJOKNR-NRFANRHFSA-N 1 3 388.515 3.525 20 0 GHADHO CS(=O)(=O)c1ccc(CNCCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000865717628 888541592 /nfs/dbraw/zinc/54/15/92/888541592.db2.gz GRNMVBXNYIQCQH-UHFFFAOYSA-N 1 3 392.590 3.544 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000125911711 890248942 /nfs/dbraw/zinc/24/89/42/890248942.db2.gz RHELVEMVHYNTFU-ROUUACIJSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000125911711 890248953 /nfs/dbraw/zinc/24/89/53/890248953.db2.gz RHELVEMVHYNTFU-ROUUACIJSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000125911711 890248972 /nfs/dbraw/zinc/24/89/72/890248972.db2.gz RHELVEMVHYNTFU-ROUUACIJSA-N 1 3 379.976 3.787 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC000126735303 890670058 /nfs/dbraw/zinc/67/00/58/890670058.db2.gz ZBEOTYYLPSHMRV-QGZVFWFLSA-N 1 3 389.490 3.886 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000127941051 891326414 /nfs/dbraw/zinc/32/64/14/891326414.db2.gz BBSMFYOQCISOKP-KNQAVFIVSA-N 1 3 395.547 3.504 20 0 GHADHO O[C@H](c1cc(F)ccc1F)C1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873213984 891527150 /nfs/dbraw/zinc/52/71/50/891527150.db2.gz TYQWNGUEVOLLQG-FQEVSTJZSA-N 1 3 378.488 3.618 20 0 GHADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000287972135 913608779 /nfs/dbraw/zinc/60/87/79/913608779.db2.gz JODYWKNHSOUQOP-XMSQKQJNSA-N 1 3 398.551 3.577 20 0 GHADHO O=C(NC[C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261775005 892108538 /nfs/dbraw/zinc/10/85/38/892108538.db2.gz GYYJXXFUQYIQGS-GOEBONIOSA-N 1 3 391.968 3.635 20 0 GHADHO C[C@H]1C[NH+](CCC2CCN(Cc3cccc4c3OCCCO4)CC2)C[C@H](C)O1 ZINC000536663785 893477820 /nfs/dbraw/zinc/47/78/20/893477820.db2.gz VPQDEUDMVJNQKD-OALUTQOASA-N 1 3 388.552 3.559 20 0 GHADHO Fc1cc2c(cc1Br)[C@@H](NC1CCN(c3cc[nH+]cc3)CC1)CO2 ZINC000459536410 893710034 /nfs/dbraw/zinc/71/00/34/893710034.db2.gz HQGYSSPMOKLPJD-KRWDZBQOSA-N 1 3 392.272 3.675 20 0 GHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)c(F)c1 ZINC000536859083 893951880 /nfs/dbraw/zinc/95/18/80/893951880.db2.gz RRTMQHZSYLKXBH-CQSZACIVSA-N 1 3 377.891 3.621 20 0 GHADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000815593720 894032877 /nfs/dbraw/zinc/03/28/77/894032877.db2.gz VFNXNVKYGKMZOK-GOSISDBHSA-N 1 3 383.511 3.811 20 0 GHADHO CCC1(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000537093612 894331238 /nfs/dbraw/zinc/33/12/38/894331238.db2.gz VCGUIIRSJBEXRY-SFTDATJTSA-N 1 3 392.609 3.624 20 0 GHADHO O[C@H]1CCN(CC(C[N@@H+]2CC[C@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722374 894536619 /nfs/dbraw/zinc/53/66/19/894536619.db2.gz FSTCTIAQLCPISK-VXKWHMMOSA-N 1 3 390.612 3.552 20 0 GHADHO O[C@H]1CCN(CC(C[N@H+]2CC[C@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722374 894536628 /nfs/dbraw/zinc/53/66/28/894536628.db2.gz FSTCTIAQLCPISK-VXKWHMMOSA-N 1 3 390.612 3.552 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCC[NH2+]CC1 ZINC000666857993 894545458 /nfs/dbraw/zinc/54/54/58/894545458.db2.gz SGHKWIXDQQKJRK-RYUDHWBXSA-N 1 3 377.838 3.808 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000816844805 895148392 /nfs/dbraw/zinc/14/83/92/895148392.db2.gz PJJJYCKFRUVYBJ-UHFFFAOYSA-N 1 3 387.612 3.515 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000543763025 913954467 /nfs/dbraw/zinc/95/44/67/913954467.db2.gz XBOUQTOBDJPMIN-BESBDSHLSA-N 1 3 394.538 3.690 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000543763025 913954476 /nfs/dbraw/zinc/95/44/76/913954476.db2.gz XBOUQTOBDJPMIN-BESBDSHLSA-N 1 3 394.538 3.690 20 0 GHADHO Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000543763025 913954483 /nfs/dbraw/zinc/95/44/83/913954483.db2.gz XBOUQTOBDJPMIN-BESBDSHLSA-N 1 3 394.538 3.690 20 0 GHADHO [NH3+]CCC[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000566210948 896173831 /nfs/dbraw/zinc/17/38/31/896173831.db2.gz AJOBVRMNUFMLDA-UNMCSNQZSA-N 1 3 383.511 3.634 20 0 GHADHO COCCOCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000566388288 896282087 /nfs/dbraw/zinc/28/20/87/896282087.db2.gz LAKKWKGSXSTITG-RDPSFJRHSA-N 1 3 382.548 3.992 20 0 GHADHO COCCOCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000566388288 896282102 /nfs/dbraw/zinc/28/21/02/896282102.db2.gz LAKKWKGSXSTITG-RDPSFJRHSA-N 1 3 382.548 3.992 20 0 GHADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000819015146 896349752 /nfs/dbraw/zinc/34/97/52/896349752.db2.gz DSJFPNXUAQBSHO-LAUBAEHRSA-N 1 3 376.903 3.667 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)N(C)c3ccccc3)C2)s1 ZINC000566564828 896380781 /nfs/dbraw/zinc/38/07/81/896380781.db2.gz XAJKCMYSJGCVSH-IBGZPJMESA-N 1 3 385.577 3.863 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)N(C)c3ccccc3)C2)s1 ZINC000566564828 896380797 /nfs/dbraw/zinc/38/07/97/896380797.db2.gz XAJKCMYSJGCVSH-IBGZPJMESA-N 1 3 385.577 3.863 20 0 GHADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000567895294 897475756 /nfs/dbraw/zinc/47/57/56/897475756.db2.gz CAUVOGYDICCZHE-YADHBBJMSA-N 1 3 377.532 3.541 20 0 GHADHO FC(F)(F)CCN1CCC(Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883346922 897517765 /nfs/dbraw/zinc/51/77/65/897517765.db2.gz JLUITMVBAXTRDC-FQEVSTJZSA-N 1 3 396.501 3.800 20 0 GHADHO FC(F)(F)CCN1CCC(Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883346922 897517768 /nfs/dbraw/zinc/51/77/68/897517768.db2.gz JLUITMVBAXTRDC-FQEVSTJZSA-N 1 3 396.501 3.800 20 0 GHADHO C[C@@H](N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccc(C[NH+](C)C)c1 ZINC000820813689 897541656 /nfs/dbraw/zinc/54/16/56/897541656.db2.gz ADXRROIBKRFJHW-CVEARBPZSA-N 1 3 375.538 3.532 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)CC2)CC1 ZINC000108790965 898404450 /nfs/dbraw/zinc/40/44/50/898404450.db2.gz FAIPKDXCEKQCCH-ZEQRLZLVSA-N 1 3 391.559 3.618 20 0 GHADHO FC(F)Oc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000571327352 899831014 /nfs/dbraw/zinc/83/10/14/899831014.db2.gz VUWGCNAUGXLYKD-KBPBESRZSA-N 1 3 389.284 3.872 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000289950462 914445247 /nfs/dbraw/zinc/44/52/47/914445247.db2.gz PENFWKNOJWLRJP-UYAOXDASSA-N 1 3 388.552 3.812 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000289950462 914445251 /nfs/dbraw/zinc/44/52/51/914445251.db2.gz PENFWKNOJWLRJP-UYAOXDASSA-N 1 3 388.552 3.812 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171119133 900701499 /nfs/dbraw/zinc/70/14/99/900701499.db2.gz DJOSEAUSQNOTSH-ACIOBRDBSA-N 1 3 388.983 3.878 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171119133 900701506 /nfs/dbraw/zinc/70/15/06/900701506.db2.gz DJOSEAUSQNOTSH-ACIOBRDBSA-N 1 3 388.983 3.878 20 0 GHADHO CCC[NH+](CCC)CCN1CCN([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171136840 901046880 /nfs/dbraw/zinc/04/68/80/901046880.db2.gz WSZGQNCQWQVSEO-JOCHJYFZSA-N 1 3 378.004 3.937 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000886545054 901144727 /nfs/dbraw/zinc/14/47/27/901144727.db2.gz GGBSCHPCGQDSJA-PMVMPFDFSA-N 1 3 393.531 3.667 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886545054 901144736 /nfs/dbraw/zinc/14/47/36/901144736.db2.gz GGBSCHPCGQDSJA-PMVMPFDFSA-N 1 3 393.531 3.667 20 0 GHADHO C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000575233802 901170756 /nfs/dbraw/zinc/17/07/56/901170756.db2.gz CDACKJVCDTVNFH-UWJYYQICSA-N 1 3 375.532 3.541 20 0 GHADHO Cc1noc(C)c1CN1CCCC12CC[NH+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144171413 901185500 /nfs/dbraw/zinc/18/55/00/901185500.db2.gz BDULIVGBXPUAFI-UHFFFAOYSA-N 1 3 379.508 3.798 20 0 GHADHO Cc1n[nH]c(C)c1[C@H]1CCCN1C/C=C/C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091080859 901443043 /nfs/dbraw/zinc/44/30/43/901443043.db2.gz FMBBUPSNPHZVCD-BGEOSOQGSA-N 1 3 382.556 3.897 20 0 GHADHO Cc1n[nH]c(C)c1[C@H]1CCCN1C/C=C/C[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091080859 901443071 /nfs/dbraw/zinc/44/30/71/901443071.db2.gz FMBBUPSNPHZVCD-BGEOSOQGSA-N 1 3 382.556 3.897 20 0 GHADHO CN(Cc1c[nH]nc1-c1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645274 901503050 /nfs/dbraw/zinc/50/30/50/901503050.db2.gz NVAXCLMFLVJMRH-UHFFFAOYSA-N 1 3 393.510 3.750 20 0 GHADHO C[C@H](OC[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000576457842 902032437 /nfs/dbraw/zinc/03/24/37/902032437.db2.gz RZAOIKDLACNFTE-KKSFZXQISA-N 1 3 380.960 3.775 20 0 GHADHO C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC000577297346 902659216 /nfs/dbraw/zinc/65/92/16/902659216.db2.gz DAPUFTIGGDKEAO-CVDCTZTESA-N 1 3 377.532 3.675 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CCN(C4CC4)C3)cc2)C1 ZINC000601242293 903501683 /nfs/dbraw/zinc/50/16/83/903501683.db2.gz LBIQLPVCABQLEO-YYDVJCTNSA-N 1 3 398.595 3.543 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CCN(C4CC4)C3)cc2)C1 ZINC000601242293 903501691 /nfs/dbraw/zinc/50/16/91/903501691.db2.gz LBIQLPVCABQLEO-YYDVJCTNSA-N 1 3 398.595 3.543 20 0 GHADHO [NH3+]C[C@H]1CN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC12CCOCC2 ZINC000578506633 903915037 /nfs/dbraw/zinc/91/50/37/903915037.db2.gz TUFQSHJKVRJQAJ-GRUIHPGSSA-N 1 3 392.543 3.966 20 0 GHADHO Fc1cc2c(c(F)c1F)C[C@@H](N1CCC(COCC[NH+]3CCCC3)CC1)CC2 ZINC001171534811 904761488 /nfs/dbraw/zinc/76/14/88/904761488.db2.gz ZGWHODCSNTTWLQ-SFHVURJKSA-N 1 3 396.497 3.786 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631641 904853008 /nfs/dbraw/zinc/85/30/08/904853008.db2.gz LIMOJYDFJDKAAJ-SJLPKXTDSA-N 1 3 379.589 3.969 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631641 904853021 /nfs/dbraw/zinc/85/30/21/904853021.db2.gz LIMOJYDFJDKAAJ-SJLPKXTDSA-N 1 3 379.589 3.969 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)CCNC3CC(C)(C)[NH+](C)C(C)(C)C3)ccc12 ZINC001171626017 904889887 /nfs/dbraw/zinc/88/98/87/904889887.db2.gz SCVURVKTTIFBNW-UHFFFAOYSA-N 1 3 399.535 3.671 20 0 GHADHO CC(C)(C)OC(=O)C1CCC([NH2+]CC2CCN(Cc3ccccn3)CC2)CC1 ZINC001171916649 905146703 /nfs/dbraw/zinc/14/67/03/905146703.db2.gz DEQJFNISSVLENZ-UHFFFAOYSA-N 1 3 387.568 3.784 20 0 GHADHO Cc1cc(N2CC[C@@H](N[C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC001172068204 905335553 /nfs/dbraw/zinc/33/55/53/905335553.db2.gz UROCCHRKYXWCCE-BXXSPATCSA-N 1 3 391.563 3.539 20 0 GHADHO Cc1cc(N2CC[C@@H](N[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC001172068204 905335567 /nfs/dbraw/zinc/33/55/67/905335567.db2.gz UROCCHRKYXWCCE-BXXSPATCSA-N 1 3 391.563 3.539 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001172604582 905663544 /nfs/dbraw/zinc/66/35/44/905663544.db2.gz MPYLDWAAYJYNSY-QUCCMNQESA-N 1 3 378.944 3.873 20 0 GHADHO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001172866315 905882460 /nfs/dbraw/zinc/88/24/60/905882460.db2.gz HFNAMLAYAVLWKV-MRXNPFEDSA-N 1 3 390.934 3.761 20 0 GHADHO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001172866315 905882478 /nfs/dbraw/zinc/88/24/78/905882478.db2.gz HFNAMLAYAVLWKV-MRXNPFEDSA-N 1 3 390.934 3.761 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172972707 906036728 /nfs/dbraw/zinc/03/67/28/906036728.db2.gz YLKBVQMKYZHDKL-NRSPTQNISA-N 1 3 387.568 3.696 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172972707 906036746 /nfs/dbraw/zinc/03/67/46/906036746.db2.gz YLKBVQMKYZHDKL-NRSPTQNISA-N 1 3 387.568 3.696 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001172960922 906069774 /nfs/dbraw/zinc/06/97/74/906069774.db2.gz ZKEHNRNTEDHXNJ-GOSISDBHSA-N 1 3 390.572 3.529 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173345087 906385367 /nfs/dbraw/zinc/38/53/67/906385367.db2.gz QXJVMLBGCLGRIS-NRFANRHFSA-N 1 3 385.596 3.704 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173345087 906385443 /nfs/dbraw/zinc/38/54/43/906385443.db2.gz QXJVMLBGCLGRIS-NRFANRHFSA-N 1 3 385.596 3.704 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001173635814 906588800 /nfs/dbraw/zinc/58/88/00/906588800.db2.gz WWMZKPIRVHDNSA-WMZOPIPTSA-N 1 3 378.944 3.798 20 0 GHADHO C[N@H+](Cc1cccc(F)c1)C1CCN(C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173675524 906612558 /nfs/dbraw/zinc/61/25/58/906612558.db2.gz YKSZSXJOOUOONU-UHFFFAOYSA-N 1 3 387.465 3.749 20 0 GHADHO C[N@@H+](Cc1cccc(F)c1)C1CCN(C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173675524 906612570 /nfs/dbraw/zinc/61/25/70/906612570.db2.gz YKSZSXJOOUOONU-UHFFFAOYSA-N 1 3 387.465 3.749 20 0 GHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1C(F)(F)F ZINC000180996296 906892579 /nfs/dbraw/zinc/89/25/79/906892579.db2.gz NMSBXAKKWIACMX-OAHLLOKOSA-N 1 3 393.453 3.848 20 0 GHADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180998085 906893311 /nfs/dbraw/zinc/89/33/11/906893311.db2.gz YNZOYKNATDLVJB-HNNXBMFYSA-N 1 3 388.581 3.717 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)cc2)CC1 ZINC000181956181 907105391 /nfs/dbraw/zinc/10/53/91/907105391.db2.gz YJVWXBVHYLQCSD-IBGZPJMESA-N 1 3 394.563 3.633 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000182249294 907169652 /nfs/dbraw/zinc/16/96/52/907169652.db2.gz ZDCQJIJGVHHALM-PGRDOPGGSA-N 1 3 396.531 3.655 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000182249294 907169662 /nfs/dbraw/zinc/16/96/62/907169662.db2.gz ZDCQJIJGVHHALM-PGRDOPGGSA-N 1 3 396.531 3.655 20 0 GHADHO COc1cncc(/C=C/CCN2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001175972402 907846156 /nfs/dbraw/zinc/84/61/56/907846156.db2.gz AZHLEGKVTXSDET-RSBVPFEDSA-N 1 3 377.532 3.947 20 0 GHADHO COc1cncc(/C=C/CCN2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001175972402 907846165 /nfs/dbraw/zinc/84/61/65/907846165.db2.gz AZHLEGKVTXSDET-RSBVPFEDSA-N 1 3 377.532 3.947 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(CC)c3ccc(F)cc3)CC2)CC1 ZINC000633793885 908490023 /nfs/dbraw/zinc/49/00/23/908490023.db2.gz KXRNYYXKHFRCIN-QHCPKHFHSA-N 1 3 389.559 3.763 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000191489584 908631291 /nfs/dbraw/zinc/63/12/91/908631291.db2.gz PLTRWLHLSMRARR-JOCHJYFZSA-N 1 3 394.003 3.502 20 0 GHADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC001177693040 908713766 /nfs/dbraw/zinc/71/37/66/908713766.db2.gz JJGJKBVSGLZRRP-UHFFFAOYSA-N 1 3 387.911 3.508 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC1(C)CC[NH+](C)CC1 ZINC000779985396 909215851 /nfs/dbraw/zinc/21/58/51/909215851.db2.gz CUVZFSBQTAIGEQ-UHFFFAOYSA-N 1 3 378.923 3.854 20 0 GHADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001181996060 911117271 /nfs/dbraw/zinc/11/72/71/911117271.db2.gz PYERJHHDKGPUBE-LJQANCHMSA-N 1 3 397.485 3.660 20 0 GHADHO Cc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000641773345 911511310 /nfs/dbraw/zinc/51/13/10/911511310.db2.gz HINMABGAVISSJX-JKSUJKDBSA-N 1 3 381.358 3.909 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000648483492 915715358 /nfs/dbraw/zinc/71/53/58/915715358.db2.gz DQIVUECPTHIJIE-CVDCTZTESA-N 1 3 383.580 3.605 20 0 GHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000293563417 916269011 /nfs/dbraw/zinc/26/90/11/916269011.db2.gz CZENVAZWUDBXEB-GUDVDZBRSA-N 1 3 389.540 3.573 20 0 GHADHO C[NH+]1CCC(N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)c2ccccc2)CC1 ZINC000649625295 916271568 /nfs/dbraw/zinc/27/15/68/916271568.db2.gz URUUOBBAQYTYPK-QZTJIDSGSA-N 1 3 384.442 3.861 20 0 GHADHO CC[NH+](CC)CCOCCN[C@@H]1CCCOc2c(Br)cccc21 ZINC000544574003 916848765 /nfs/dbraw/zinc/84/87/65/916848765.db2.gz GAGRAMUKQLXBIB-QGZVFWFLSA-N 1 3 385.346 3.611 20 0 GHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362702423 917375972 /nfs/dbraw/zinc/37/59/72/917375972.db2.gz MTLRCKSTYIYRJG-JTDSTZFVSA-N 1 3 385.474 3.604 20 0 GHADHO CCn1cc([C@H](C)NCc2cccc(C[NH2+][C@@H](C)c3cnn(CC)c3)c2)cn1 ZINC000296245556 918042070 /nfs/dbraw/zinc/04/20/70/918042070.db2.gz XFRHYKXPYFHIJK-ROUUACIJSA-N 1 3 380.540 3.821 20 0 GHADHO [NH3+]CCCC[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)cc1F ZINC000902344057 922105943 /nfs/dbraw/zinc/10/59/43/922105943.db2.gz AURMBBHHBPDQJX-BEFAXECRSA-N 1 3 378.442 3.538 20 0 GHADHO C[NH+]1CCC([C@H]2CCN(Cc3cnc(NC(=O)OC(C)(C)C)s3)C2)CC1 ZINC000367680916 922264365 /nfs/dbraw/zinc/26/43/65/922264365.db2.gz AQBYFBGWGGMVRT-HNNXBMFYSA-N 1 3 380.558 3.654 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806747 924505692 /nfs/dbraw/zinc/50/56/92/924505692.db2.gz MGGTVGGPTVHFJK-WWNPGLIZSA-N 1 3 387.612 3.766 20 0 GHADHO C(CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678637773 924857536 /nfs/dbraw/zinc/85/75/36/924857536.db2.gz CEVDYTOFOOOJLP-BJESRGMDSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678637773 924857552 /nfs/dbraw/zinc/85/75/52/924857552.db2.gz CEVDYTOFOOOJLP-BJESRGMDSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637773 924857557 /nfs/dbraw/zinc/85/75/57/924857557.db2.gz CEVDYTOFOOOJLP-BJESRGMDSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637773 924857564 /nfs/dbraw/zinc/85/75/64/924857564.db2.gz CEVDYTOFOOOJLP-BJESRGMDSA-N 1 3 378.601 3.654 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000680271013 925417518 /nfs/dbraw/zinc/41/75/18/925417518.db2.gz UFNRTEUGHCGKDM-RBZQAINGSA-N 1 3 391.559 3.779 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000680271013 925417524 /nfs/dbraw/zinc/41/75/24/925417524.db2.gz UFNRTEUGHCGKDM-RBZQAINGSA-N 1 3 391.559 3.779 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000410340655 925551007 /nfs/dbraw/zinc/55/10/07/925551007.db2.gz ZNJKLXZZRVDTPY-UHFFFAOYSA-N 1 3 388.600 3.648 20 0 GHADHO C[C@@]1(CNCc2ccc(C(=O)NC3CC3)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000681698963 925883285 /nfs/dbraw/zinc/88/32/85/925883285.db2.gz ODYSPQAQGSTLSY-DEOSSOPVSA-N 1 3 377.532 3.723 20 0 GHADHO C[C@@]1(CNCc2ccc(C(=O)NC3CC3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000681698963 925883292 /nfs/dbraw/zinc/88/32/92/925883292.db2.gz ODYSPQAQGSTLSY-DEOSSOPVSA-N 1 3 377.532 3.723 20 0 GHADHO C[NH+](C)CCNC(=O)C1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411354255 926325745 /nfs/dbraw/zinc/32/57/45/926325745.db2.gz MVSMYOJMAZWKGI-JOCHJYFZSA-N 1 3 399.966 3.819 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411553142 926508920 /nfs/dbraw/zinc/50/89/20/926508920.db2.gz QTKOAXYSAHYVRY-NQIIRXRSSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411553142 926508928 /nfs/dbraw/zinc/50/89/28/926508928.db2.gz QTKOAXYSAHYVRY-NQIIRXRSSA-N 1 3 376.504 3.779 20 0 GHADHO O=C(NC[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1)c1ccco1 ZINC000411687948 926655877 /nfs/dbraw/zinc/65/58/77/926655877.db2.gz BGIPBQKZFFHVMV-QFIPXVFZSA-N 1 3 395.547 3.908 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cccc2F)s1 ZINC000750734913 927820432 /nfs/dbraw/zinc/82/04/32/927820432.db2.gz QFZLXLPDAZHBGS-HNNXBMFYSA-N 1 3 377.529 3.529 20 0 GHADHO O=C(NC1CCC([NH+]2CCCCC2)CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000751081948 928020070 /nfs/dbraw/zinc/02/00/70/928020070.db2.gz FRTDVRUGRKWUJC-KOENEWCDSA-N 1 3 398.595 3.747 20 0 GHADHO O=C(NC1CCC([NH+]2CCCCC2)CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000751113391 928035923 /nfs/dbraw/zinc/03/59/23/928035923.db2.gz UCCKUOZVBHMWTJ-UHFFFAOYSA-N 1 3 398.595 3.701 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000544041590 928724944 /nfs/dbraw/zinc/72/49/44/928724944.db2.gz RGKBQLKGWPOAJM-AWEZNQCLSA-N 1 3 394.357 3.773 20 0 GHADHO CN1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000758735498 930153286 /nfs/dbraw/zinc/15/32/86/930153286.db2.gz AUVUXTIXUAYASK-PKTZIBPZSA-N 1 3 398.595 3.776 20 0 GHADHO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000781421818 930837859 /nfs/dbraw/zinc/83/78/59/930837859.db2.gz LQKFYWRFXVSZTR-BHDDXSALSA-N 1 3 399.579 3.744 20 0 GHADHO Cc1ccc(CNCc2ccccc2OCC[NH+](C)C)c(-c2ccnn2C)c1 ZINC000558782284 932229799 /nfs/dbraw/zinc/22/97/99/932229799.db2.gz IZPZTNMOLPRYGK-UHFFFAOYSA-N 1 3 378.520 3.626 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCC4(CCCCCC4)O3)CC2)CC1 ZINC000930130632 933847844 /nfs/dbraw/zinc/84/78/44/933847844.db2.gz RANNTIKEJHYORO-QFIPXVFZSA-N 1 3 377.617 3.749 20 0 GHADHO O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220694975 1032067577 /nfs/dbraw/zinc/06/75/77/1032067577.db2.gz PZBPJPRSIIVODM-BJKOFHAPSA-N 1 3 399.538 3.920 20 0 GHADHO O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220694975 1032067590 /nfs/dbraw/zinc/06/75/90/1032067590.db2.gz PZBPJPRSIIVODM-BJKOFHAPSA-N 1 3 399.538 3.920 20 0 GHADHO C[C@@H](CNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1)CC(C)(C)CC[NH3+] ZINC001220763559 1032105445 /nfs/dbraw/zinc/10/54/45/1032105445.db2.gz GFFRKZIZZPVKIK-XMSQKQJNSA-N 1 3 381.564 3.741 20 0 GHADHO CC(C)[NH+]1CCC(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000468580861 1015819465 /nfs/dbraw/zinc/81/94/65/1015819465.db2.gz VRUHRRPTGFGMOX-JOCHJYFZSA-N 1 3 385.596 3.696 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001221088850 1032279170 /nfs/dbraw/zinc/27/91/70/1032279170.db2.gz YCTBIALKFGNUNM-RTBURBONSA-N 1 3 390.597 3.591 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001221088850 1032279181 /nfs/dbraw/zinc/27/91/81/1032279181.db2.gz YCTBIALKFGNUNM-RTBURBONSA-N 1 3 390.597 3.591 20 0 GHADHO C[C@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1cccnc1F ZINC001227164549 1032303386 /nfs/dbraw/zinc/30/33/86/1032303386.db2.gz KEJSUWIFOJZTQX-INIZCTEOSA-N 1 3 388.531 3.546 20 0 GHADHO CCCCN(CC)[C@H](C(=O)N[C@@H](C[NH3+])c1cccc(OC)c1)c1ccccc1 ZINC001221404344 1032399740 /nfs/dbraw/zinc/39/97/40/1032399740.db2.gz HOCIXFSKRCHTFV-VXKWHMMOSA-N 1 3 383.536 3.675 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001221581312 1032469175 /nfs/dbraw/zinc/46/91/75/1032469175.db2.gz VNURGPTUSCJKHO-YADHBBJMSA-N 1 3 386.584 3.696 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001221581312 1032469180 /nfs/dbraw/zinc/46/91/80/1032469180.db2.gz VNURGPTUSCJKHO-YADHBBJMSA-N 1 3 386.584 3.696 20 0 GHADHO Cc1ccc(Cl)c(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c1Cl ZINC001277229389 1032506041 /nfs/dbraw/zinc/50/60/41/1032506041.db2.gz HQKCJBPCYAPAMM-UHFFFAOYSA-N 1 3 398.378 3.678 20 0 GHADHO C[C@@H](N)[C@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1 ZINC000925659314 1017129727 /nfs/dbraw/zinc/12/97/27/1017129727.db2.gz LRNXTXSFFKZYPX-JPYJTQIMSA-N 1 3 390.531 3.984 20 0 GHADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1SC(C)(C)C ZINC000925851232 1017161221 /nfs/dbraw/zinc/16/12/21/1017161221.db2.gz QTHWQYFHQSPXNN-CVEARBPZSA-N 1 3 376.566 3.913 20 0 GHADHO C[C@@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC001227962947 1032717393 /nfs/dbraw/zinc/71/73/93/1032717393.db2.gz RYMFTOXWJJNAMF-XZJNEJNUSA-N 1 3 386.584 3.584 20 0 GHADHO C[NH+]1CCC2(CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)CC2)CC1 ZINC001228030966 1032744745 /nfs/dbraw/zinc/74/47/45/1032744745.db2.gz CWFOOLRSOIVEIN-JOCHJYFZSA-N 1 3 398.595 3.731 20 0 GHADHO CC1CC[NH+](CCCCNCc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000567712728 1019333753 /nfs/dbraw/zinc/33/37/53/1019333753.db2.gz USXSPJCWDUMPFM-UHFFFAOYSA-N 1 3 379.976 3.778 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000568502308 1019413731 /nfs/dbraw/zinc/41/37/31/1019413731.db2.gz PLTFXEYLOVIZJN-WIYYLYMNSA-N 1 3 393.531 3.723 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000568502307 1019414430 /nfs/dbraw/zinc/41/44/30/1019414430.db2.gz PLTFXEYLOVIZJN-RXVVDRJESA-N 1 3 393.531 3.723 20 0 GHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000575154226 1019927482 /nfs/dbraw/zinc/92/74/82/1019927482.db2.gz BISWHEVXOCITQE-IAGOWNOFSA-N 1 3 378.520 3.568 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430139 1032864302 /nfs/dbraw/zinc/86/43/02/1032864302.db2.gz HZUUDRLWLIUQPE-IBGZPJMESA-N 1 3 386.458 3.908 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430139 1032864323 /nfs/dbraw/zinc/86/43/23/1032864323.db2.gz HZUUDRLWLIUQPE-IBGZPJMESA-N 1 3 386.458 3.908 20 0 GHADHO Nc1ncc(-c2ccccc2C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140326330 1021407026 /nfs/dbraw/zinc/40/70/26/1021407026.db2.gz MMPFRNRAZMROKT-NZQKXSOJSA-N 1 3 399.542 3.680 20 0 GHADHO Nc1ncc(-c2ccccc2C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140326330 1021407030 /nfs/dbraw/zinc/40/70/30/1021407030.db2.gz MMPFRNRAZMROKT-NZQKXSOJSA-N 1 3 399.542 3.680 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccnc1Cl)CC2 ZINC001137423306 1022229898 /nfs/dbraw/zinc/22/98/98/1022229898.db2.gz ATJPSAPMDBBYNC-HXUWFJFHSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccnc1Cl)CC2 ZINC001137423306 1022229907 /nfs/dbraw/zinc/22/99/07/1022229907.db2.gz ATJPSAPMDBBYNC-HXUWFJFHSA-N 1 3 385.939 3.991 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4ccncc34)C[C@H]21 ZINC001140803071 1022574510 /nfs/dbraw/zinc/57/45/10/1022574510.db2.gz KHXWKMDBPZFNCX-ODOSVJCGSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4ccncc34)C[C@H]21 ZINC001140803071 1022574521 /nfs/dbraw/zinc/57/45/21/1022574521.db2.gz KHXWKMDBPZFNCX-ODOSVJCGSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4cc[nH]cc3-4)C[C@H]21 ZINC001140803071 1022574533 /nfs/dbraw/zinc/57/45/33/1022574533.db2.gz KHXWKMDBPZFNCX-ODOSVJCGSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4cc[nH]cc3-4)C[C@H]21 ZINC001140803071 1022574546 /nfs/dbraw/zinc/57/45/46/1022574546.db2.gz KHXWKMDBPZFNCX-ODOSVJCGSA-N 1 3 375.520 3.690 20 0 GHADHO CCCCc1ncc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001141070340 1023422350 /nfs/dbraw/zinc/42/23/50/1023422350.db2.gz VGMRFMYOOIVTHN-YUXAGFNASA-N 1 3 381.568 3.880 20 0 GHADHO CCCCc1ncc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001141070340 1023422354 /nfs/dbraw/zinc/42/23/54/1023422354.db2.gz VGMRFMYOOIVTHN-YUXAGFNASA-N 1 3 381.568 3.880 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2COc3ccccc3C2)CC1 ZINC000756107118 1023524685 /nfs/dbraw/zinc/52/46/85/1023524685.db2.gz UWDGYZICGVSTHJ-HXUWFJFHSA-N 1 3 379.548 3.560 20 0 GHADHO CSc1ccc([C@H](CNC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC001228956130 1033198184 /nfs/dbraw/zinc/19/81/84/1033198184.db2.gz WLKIYEROLGMHKF-SFHVURJKSA-N 1 3 392.613 3.573 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cnc3ccccc3n1)CC2 ZINC001138864087 1025487270 /nfs/dbraw/zinc/48/72/70/1025487270.db2.gz IXLQKUQAPLQGHT-UHFFFAOYSA-N 1 3 387.531 3.901 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cnc3ccccc3n1)CC2 ZINC001138864087 1025487284 /nfs/dbraw/zinc/48/72/84/1025487284.db2.gz IXLQKUQAPLQGHT-UHFFFAOYSA-N 1 3 387.531 3.901 20 0 GHADHO CCOc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)cc1OCC ZINC001138970338 1025686235 /nfs/dbraw/zinc/68/62/35/1025686235.db2.gz HBAKEOAOASYPQR-UHFFFAOYSA-N 1 3 390.568 3.808 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccc(F)cc3F)cc2)CC1 ZINC001461049194 1069360896 /nfs/dbraw/zinc/36/08/96/1069360896.db2.gz GZISAPAVLXPHEU-ONEGZZNKSA-N 1 3 385.502 3.905 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000839550835 1026048960 /nfs/dbraw/zinc/04/89/60/1026048960.db2.gz IOHSKTTXWSGCBW-IPMKNSEASA-N 1 3 379.589 3.876 20 0 GHADHO Cc1c(C)n(-c2nc(CN)ccc2NC(=O)C(C)(C)C)c2ccc(C[NH3+])cc12 ZINC001163756947 1026304250 /nfs/dbraw/zinc/30/42/50/1026304250.db2.gz LUAHWWYPJDMRCO-UHFFFAOYSA-N 1 3 379.508 3.544 20 0 GHADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC001461096093 1069386446 /nfs/dbraw/zinc/38/64/46/1069386446.db2.gz NZZJTDNVNIITIF-VAMGGRTRSA-N 1 3 375.576 3.789 20 0 GHADHO CN(C)C1(CNc2ccc(OC(F)(F)F)c3ncccc23)CC[NH+](C)CC1 ZINC001164217607 1026455280 /nfs/dbraw/zinc/45/52/80/1026455280.db2.gz YOGKBGHOEORRGF-UHFFFAOYSA-N 1 3 382.430 3.571 20 0 GHADHO c1csc(C[NH+]2CCC3(CCN(Cc4cnc5c(c4)OCCO5)CC3)CC2)c1 ZINC001139734348 1026576985 /nfs/dbraw/zinc/57/69/85/1026576985.db2.gz KLXQAPWCCDIOCE-UHFFFAOYSA-N 1 3 399.560 3.793 20 0 GHADHO Brc1cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c1OCCCO2 ZINC001202987544 1026741444 /nfs/dbraw/zinc/74/14/44/1026741444.db2.gz XSILKCINYAXCRB-IAGOWNOFSA-N 1 3 395.341 3.717 20 0 GHADHO Brc1cc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2c1OCCCO2 ZINC001202987544 1026741454 /nfs/dbraw/zinc/74/14/54/1026741454.db2.gz XSILKCINYAXCRB-IAGOWNOFSA-N 1 3 395.341 3.717 20 0 GHADHO Cn1ccc2c1ccnc2N(c1cccc(F)c1)[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001165482675 1026743225 /nfs/dbraw/zinc/74/32/25/1026743225.db2.gz VUSABWJIXZLEGO-GCJKJVERSA-N 1 3 380.467 3.762 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171684 1069424407 /nfs/dbraw/zinc/42/44/07/1069424407.db2.gz OSBMRNCOFKWTFY-HUUCEWRRSA-N 1 3 381.483 3.542 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171684 1069424412 /nfs/dbraw/zinc/42/44/12/1069424412.db2.gz OSBMRNCOFKWTFY-HUUCEWRRSA-N 1 3 381.483 3.542 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171684 1069424416 /nfs/dbraw/zinc/42/44/16/1069424416.db2.gz OSBMRNCOFKWTFY-HUUCEWRRSA-N 1 3 381.483 3.542 20 0 GHADHO c1c([C@@H]2CNCCO2)cn2c1cccc2NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166911644 1027151069 /nfs/dbraw/zinc/15/10/69/1027151069.db2.gz WZGQGKXTNKTSDB-PKTZIBPZSA-N 1 3 390.531 3.849 20 0 GHADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(-n3cncn3)c(F)c2)[C@H]1c1cccs1 ZINC001461234765 1069455427 /nfs/dbraw/zinc/45/54/27/1069455427.db2.gz WXCOVJPCXGWQCH-JXFKEZNVSA-N 1 3 385.512 3.641 20 0 GHADHO C[N@H+]1CCC[C@@H](CNCc2ccc(-n3cncn3)c(F)c2)[C@H]1c1cccs1 ZINC001461234765 1069455428 /nfs/dbraw/zinc/45/54/28/1069455428.db2.gz WXCOVJPCXGWQCH-JXFKEZNVSA-N 1 3 385.512 3.641 20 0 GHADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC001211279090 1027883404 /nfs/dbraw/zinc/88/34/04/1027883404.db2.gz ZSTBOHSUSBMCOC-GJYPPUQNSA-N 1 3 380.964 3.505 20 0 GHADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001211279090 1027883429 /nfs/dbraw/zinc/88/34/29/1027883429.db2.gz ZSTBOHSUSBMCOC-GJYPPUQNSA-N 1 3 380.964 3.505 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC001211311849 1027904876 /nfs/dbraw/zinc/90/48/76/1027904876.db2.gz JLBGJPYMZRTUEB-IPJJNNNSSA-N 1 3 388.600 3.519 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001214682114 1028857990 /nfs/dbraw/zinc/85/79/90/1028857990.db2.gz LVEKTERAHMQZHR-ZDUSSCGKSA-N 1 3 392.491 3.692 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001214682114 1028858007 /nfs/dbraw/zinc/85/80/07/1028858007.db2.gz LVEKTERAHMQZHR-ZDUSSCGKSA-N 1 3 392.491 3.692 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001142848476 1029578737 /nfs/dbraw/zinc/57/87/37/1029578737.db2.gz OMZNYRNVEHOVJF-IBGZPJMESA-N 1 3 391.987 3.885 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001142848476 1029578745 /nfs/dbraw/zinc/57/87/45/1029578745.db2.gz OMZNYRNVEHOVJF-IBGZPJMESA-N 1 3 391.987 3.885 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccnc3[nH]ccc31)CC2 ZINC001142872418 1029617299 /nfs/dbraw/zinc/61/72/99/1029617299.db2.gz ATDDZXJOOGNDGQ-GOSISDBHSA-N 1 3 396.560 3.880 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843124413 1029816363 /nfs/dbraw/zinc/81/63/63/1029816363.db2.gz APGDBVBTPXBMAC-MSOLQXFVSA-N 1 3 390.934 3.854 20 0 GHADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364017 1029940881 /nfs/dbraw/zinc/94/08/81/1029940881.db2.gz KQHFXQUIMRGKPS-KGLIPLIRSA-N 1 3 384.351 3.635 20 0 GHADHO CCOC(=O)c1c(C)[nH]c(CN2CCCC3(CCCC[NH2+]C3)CCC2)c1C ZINC001222110163 1029967130 /nfs/dbraw/zinc/96/71/30/1029967130.db2.gz ZXRCYJFIJSRMLV-UHFFFAOYSA-N 1 3 375.557 3.944 20 0 GHADHO C[C@@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC001222211098 1030008229 /nfs/dbraw/zinc/00/82/29/1030008229.db2.gz KQVIDJJPZXKALD-DYQZNNLLSA-N 1 3 388.600 3.735 20 0 GHADHO C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC001222211098 1030008247 /nfs/dbraw/zinc/00/82/47/1030008247.db2.gz KQVIDJJPZXKALD-DYQZNNLLSA-N 1 3 388.600 3.735 20 0 GHADHO CCOC(=O)[C@@H]1CC2(CN1CCCc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC001222215916 1030012262 /nfs/dbraw/zinc/01/22/62/1030012262.db2.gz OGILLLBFZSSPNT-SFHVURJKSA-N 1 3 398.469 3.645 20 0 GHADHO Cc1ccc(OCc2ccccc2)c(CN2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222407375 1030110897 /nfs/dbraw/zinc/11/08/97/1030110897.db2.gz HBOWOFJIDSCRIU-UHFFFAOYSA-N 1 3 380.532 3.776 20 0 GHADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001223509128 1030610848 /nfs/dbraw/zinc/61/08/48/1030610848.db2.gz NIBNOFWKXGDNMT-LJQANCHMSA-N 1 3 392.613 3.793 20 0 GHADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001223509127 1030611721 /nfs/dbraw/zinc/61/17/21/1030611721.db2.gz NIBNOFWKXGDNMT-IBGZPJMESA-N 1 3 392.613 3.793 20 0 GHADHO C[NH+]1CCC(CNCc2cc(O)ccc2Br)(c2ccccc2)CC1 ZINC001461698393 1069685837 /nfs/dbraw/zinc/68/58/37/1069685837.db2.gz QLCKWLJRNMXMAH-UHFFFAOYSA-N 1 3 389.337 3.908 20 0 GHADHO CCCN(C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001223843399 1030777271 /nfs/dbraw/zinc/77/72/71/1030777271.db2.gz IXMBBLSYRBUKOR-XKCSPQBFSA-N 1 3 398.595 3.698 20 0 GHADHO CCCN(C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001223843399 1030777293 /nfs/dbraw/zinc/77/72/93/1030777293.db2.gz IXMBBLSYRBUKOR-XKCSPQBFSA-N 1 3 398.595 3.698 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)no1 ZINC001218559272 1030986579 /nfs/dbraw/zinc/98/65/79/1030986579.db2.gz HIYNAWAICYUYRI-HNNXBMFYSA-N 1 3 398.429 3.795 20 0 GHADHO O=C(Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2)c1csc2c1CCNC2 ZINC001219489801 1031455204 /nfs/dbraw/zinc/45/52/04/1031455204.db2.gz VYBKKJHUCMVMSZ-IBGZPJMESA-N 1 3 395.572 3.989 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2c(c1)N(Cc1ccccc1)CC2 ZINC001219520243 1031469284 /nfs/dbraw/zinc/46/92/84/1031469284.db2.gz BBCIOHXJKFJBNY-QFIPXVFZSA-N 1 3 394.563 3.683 20 0 GHADHO CC(=O)NC[C@H]1CCC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001461836662 1069779762 /nfs/dbraw/zinc/77/97/62/1069779762.db2.gz AOHPYKDPYNUHPR-ISKFKSNPSA-N 1 3 385.596 3.773 20 0 GHADHO CC(=O)NC[C@H]1CCC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001461836662 1069779774 /nfs/dbraw/zinc/77/97/74/1069779774.db2.gz AOHPYKDPYNUHPR-ISKFKSNPSA-N 1 3 385.596 3.773 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc(C(C)(C)C)oc2C)CC1 ZINC001205710951 1033542511 /nfs/dbraw/zinc/54/25/11/1033542511.db2.gz TUZKWSWKPKVXKP-UHFFFAOYSA-N 1 3 391.600 3.946 20 0 GHADHO CC(C)(O)C[NH+]1CCC(N[C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC001205998119 1033677466 /nfs/dbraw/zinc/67/74/66/1033677466.db2.gz JBBLIRPIIDVZDU-SFHVURJKSA-N 1 3 395.385 3.897 20 0 GHADHO C[C@H](CCNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC001229796102 1033720786 /nfs/dbraw/zinc/72/07/86/1033720786.db2.gz ZJHGPPPPAGBMAT-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H](CCNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC001229796102 1033720803 /nfs/dbraw/zinc/72/08/03/1033720803.db2.gz ZJHGPPPPAGBMAT-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO N[C@H]1CC[N@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@@H]1F ZINC001206166262 1033749414 /nfs/dbraw/zinc/74/94/14/1033749414.db2.gz RMTPOKIMLKKNAQ-ROUUACIJSA-N 1 3 378.289 3.772 20 0 GHADHO N[C@H]1CC[N@@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@@H]1F ZINC001206166262 1033749420 /nfs/dbraw/zinc/74/94/20/1033749420.db2.gz RMTPOKIMLKKNAQ-ROUUACIJSA-N 1 3 378.289 3.772 20 0 GHADHO N[C@H](CC(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC001158032157 1033873629 /nfs/dbraw/zinc/87/36/29/1033873629.db2.gz QZHPLHMQJWPRLI-UYAOXDASSA-N 1 3 397.485 3.868 20 0 GHADHO CCCCOc1cnc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c(Cl)c1 ZINC001158589763 1034181990 /nfs/dbraw/zinc/18/19/90/1034181990.db2.gz XEKUPQLZTLQMBB-UHFFFAOYSA-N 1 3 380.964 3.567 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC001230859240 1034255067 /nfs/dbraw/zinc/25/50/67/1034255067.db2.gz UUVWBBSNFWHFIR-ILWGZMRPSA-N 1 3 388.600 3.545 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC001230859240 1034255083 /nfs/dbraw/zinc/25/50/83/1034255083.db2.gz UUVWBBSNFWHFIR-ILWGZMRPSA-N 1 3 388.600 3.545 20 0 GHADHO CN1CCC(C[NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001207403202 1034343604 /nfs/dbraw/zinc/34/36/04/1034343604.db2.gz REENTXPKPTUUQW-UHFFFAOYSA-N 1 3 384.442 3.822 20 0 GHADHO COc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)CC3 ZINC001207614009 1034490129 /nfs/dbraw/zinc/49/01/29/1034490129.db2.gz WIFOKTRDPBHBEN-DYESRHJHSA-N 1 3 378.520 3.711 20 0 GHADHO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001207671042 1034521714 /nfs/dbraw/zinc/52/17/14/1034521714.db2.gz QYQJPISDOYLWPV-KSEOMHKRSA-N 1 3 380.617 3.777 20 0 GHADHO C[C@@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001207671042 1034521719 /nfs/dbraw/zinc/52/17/19/1034521719.db2.gz QYQJPISDOYLWPV-KSEOMHKRSA-N 1 3 380.617 3.777 20 0 GHADHO C[C@H]1C[C@@H](c2ccncc2Nc2ccc(CN3CCN(C)CC3)cc2)C[C@@H]([NH3+])C1 ZINC001159391323 1034575863 /nfs/dbraw/zinc/57/58/63/1034575863.db2.gz QVOHYKKSLRJXGR-TYPHKJRUSA-N 1 3 393.579 3.804 20 0 GHADHO CCc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(Cl)nc1C ZINC001159468462 1034609558 /nfs/dbraw/zinc/60/95/58/1034609558.db2.gz WZCAXDCZHNWITM-UHFFFAOYSA-N 1 3 397.954 3.910 20 0 GHADHO c1ccc(CN2CCN(Cc3ccc(NC4=CCC[NH2+]CC4)cc3)CC2)cc1 ZINC001159478017 1034613170 /nfs/dbraw/zinc/61/31/70/1034613170.db2.gz FIPRNGTXNJCQDT-UHFFFAOYSA-N 1 3 376.548 3.684 20 0 GHADHO Cc1cc(Cl)c(Cl)cc1CN1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276559727 1034759930 /nfs/dbraw/zinc/75/99/30/1034759930.db2.gz IPFAFQDQPWHHBQ-UHFFFAOYSA-N 1 3 398.378 3.678 20 0 GHADHO C[NH+](C)CC1(CN2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CCCC1 ZINC001208185033 1034781306 /nfs/dbraw/zinc/78/13/06/1034781306.db2.gz UCXOEVHIZJKDGI-JOCHJYFZSA-N 1 3 379.589 3.831 20 0 GHADHO CCOc1ccc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001231654242 1034811811 /nfs/dbraw/zinc/81/18/11/1034811811.db2.gz SEJMWGBSCILFAT-QFIPXVFZSA-N 1 3 395.547 3.736 20 0 GHADHO CCOc1ccc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001231654242 1034811818 /nfs/dbraw/zinc/81/18/18/1034811818.db2.gz SEJMWGBSCILFAT-QFIPXVFZSA-N 1 3 395.547 3.736 20 0 GHADHO CC(C)CN1c2ccccc2C2(CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC001208609668 1034953529 /nfs/dbraw/zinc/95/35/29/1034953529.db2.gz VPKGRQWJLLULJC-HXUWFJFHSA-N 1 3 383.580 3.755 20 0 GHADHO CC(C)CN1c2ccccc2C2(CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC001208609668 1034953531 /nfs/dbraw/zinc/95/35/31/1034953531.db2.gz VPKGRQWJLLULJC-HXUWFJFHSA-N 1 3 383.580 3.755 20 0 GHADHO CN1CCC[C@@H](C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)C1 ZINC001208615148 1034955562 /nfs/dbraw/zinc/95/55/62/1034955562.db2.gz QNISEWIKMZTUTF-JOCHJYFZSA-N 1 3 379.548 3.729 20 0 GHADHO [NH3+]C1(C(=O)N(Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC001160684404 1035035122 /nfs/dbraw/zinc/03/51/22/1035035122.db2.gz UERHPUQLPAWHRY-QFIPXVFZSA-N 1 3 377.532 3.561 20 0 GHADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)CCO1 ZINC001208818395 1035038251 /nfs/dbraw/zinc/03/82/51/1035038251.db2.gz RPQIOHKVRSJXPH-SFHVURJKSA-N 1 3 388.552 3.575 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCN2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933727 1035099864 /nfs/dbraw/zinc/09/98/64/1035099864.db2.gz GDSJFYQFNGNXAZ-FDFHNCONSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCN2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933727 1035099867 /nfs/dbraw/zinc/09/98/67/1035099867.db2.gz GDSJFYQFNGNXAZ-FDFHNCONSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208951582 1035123710 /nfs/dbraw/zinc/12/37/10/1035123710.db2.gz DDZWNTVISAZQFE-KJJMTIBFSA-N 1 3 399.579 3.744 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208951582 1035123715 /nfs/dbraw/zinc/12/37/15/1035123715.db2.gz DDZWNTVISAZQFE-KJJMTIBFSA-N 1 3 399.579 3.744 20 0 GHADHO C[C@@H]1[C@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232017 1035186611 /nfs/dbraw/zinc/18/66/11/1035186611.db2.gz WYAINZVDKWQZAB-XFGYDDDFSA-N 1 3 391.559 3.695 20 0 GHADHO C[C@@H]1[C@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232017 1035186617 /nfs/dbraw/zinc/18/66/17/1035186617.db2.gz WYAINZVDKWQZAB-XFGYDDDFSA-N 1 3 391.559 3.695 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209367376 1035256228 /nfs/dbraw/zinc/25/62/28/1035256228.db2.gz MLWJJXJLQXLFNA-NHCUHLMSSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209367376 1035256234 /nfs/dbraw/zinc/25/62/34/1035256234.db2.gz MLWJJXJLQXLFNA-NHCUHLMSSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001209367376 1035256239 /nfs/dbraw/zinc/25/62/39/1035256239.db2.gz MLWJJXJLQXLFNA-NHCUHLMSSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001209367376 1035256245 /nfs/dbraw/zinc/25/62/45/1035256245.db2.gz MLWJJXJLQXLFNA-NHCUHLMSSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001161570900 1035260478 /nfs/dbraw/zinc/26/04/78/1035260478.db2.gz LYXDJOXIWHDEDN-FPOVZHCZSA-N 1 3 389.584 3.675 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1)c1ccco1 ZINC001248638366 1036020250 /nfs/dbraw/zinc/02/02/50/1036020250.db2.gz HVASIKRRFGHEOZ-MOPGFXCFSA-N 1 3 390.572 3.759 20 0 GHADHO O[C@@H](C[NH2+][C@H]1[C@@H]2C[C@H]1CNC2)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245984714 1037107702 /nfs/dbraw/zinc/10/77/02/1037107702.db2.gz OUTLFOXLVVIBSV-VTGFDGEISA-N 1 3 389.326 3.796 20 0 GHADHO C[C@]1(C[NH3+])CCCCN(C[C@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001246018042 1037138442 /nfs/dbraw/zinc/13/84/42/1037138442.db2.gz ABZPNIDICCWYTI-GAJHUEQPSA-N 1 3 381.520 3.512 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(NC[C@@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246106911 1037195716 /nfs/dbraw/zinc/19/57/16/1037195716.db2.gz QMNRVUGFEKGGOA-PJABQADQSA-N 1 3 378.944 3.671 20 0 GHADHO C[C@@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCNCC1(F)F ZINC001246218581 1037243892 /nfs/dbraw/zinc/24/38/92/1037243892.db2.gz BOSUSCPCCUIHGE-WOZUAGRISA-N 1 3 377.523 3.797 20 0 GHADHO CCCC[C@H]1C[C@@H](NC[C@H]2C[C@]2(C(=O)N(CC)CC)c2ccccc2)CC[NH2+]1 ZINC001246283211 1037275266 /nfs/dbraw/zinc/27/52/66/1037275266.db2.gz AITZOWSJGOQUDZ-VCHRRKICSA-N 1 3 385.596 3.713 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2(c3ccc(F)cc3)CCNCC2)cc1 ZINC001246334334 1037299919 /nfs/dbraw/zinc/29/99/19/1037299919.db2.gz CJJGWZJSMGZGTP-QGZVFWFLSA-N 1 3 384.495 3.802 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cc(F)ccc3OC)CC2)CCN1 ZINC001246361357 1037319445 /nfs/dbraw/zinc/31/94/45/1037319445.db2.gz XJROXVNRULYNPY-NHCUHLMSSA-N 1 3 377.548 3.699 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(c2ccccc2OC)CCNCC1 ZINC001246377935 1037334183 /nfs/dbraw/zinc/33/41/83/1037334183.db2.gz SRAJQSZNOZZQLP-GOSISDBHSA-N 1 3 382.504 3.614 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246385733 1037346439 /nfs/dbraw/zinc/34/64/39/1037346439.db2.gz DHROUHUSFLEHOE-IEBWSBKVSA-N 1 3 378.944 3.716 20 0 GHADHO CCCC[C@@H]1C[C@H](N[C@@H]2CCCN(c3nc4ccccc4n3CC)C2)CC[NH2+]1 ZINC001246403977 1037362071 /nfs/dbraw/zinc/36/20/71/1037362071.db2.gz GJIPUTGRWNFVFY-VAMGGRTRSA-N 1 3 383.584 3.925 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246418462 1037372424 /nfs/dbraw/zinc/37/24/24/1037372424.db2.gz ABLULOCTOIAMLY-WMLDXEAASA-N 1 3 384.442 3.606 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246422694 1037380895 /nfs/dbraw/zinc/38/08/95/1037380895.db2.gz MSHPBAXHBMXMCV-YJBOKZPZSA-N 1 3 398.469 3.996 20 0 GHADHO CCOC(=O)CC[C@H](C)NC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001246430485 1037392344 /nfs/dbraw/zinc/39/23/44/1037392344.db2.gz MEZUDESEURAZGY-HNNXBMFYSA-N 1 3 386.458 3.692 20 0 GHADHO Fc1cccc(C2([NH2+][C@H]3Cc4ccc(Br)cc4C3)CCNCC2)c1 ZINC001246435620 1037397987 /nfs/dbraw/zinc/39/79/87/1037397987.db2.gz GGSYYNMEKRPRNP-IBGZPJMESA-N 1 3 389.312 3.924 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)CC1 ZINC001246439225 1037402634 /nfs/dbraw/zinc/40/26/34/1037402634.db2.gz WEEPBULLAXMQCH-HKUYNNGSSA-N 1 3 378.944 3.716 20 0 GHADHO C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246533427 1037467720 /nfs/dbraw/zinc/46/77/20/1037467720.db2.gz CRCRYUCBAGSEJC-MOPGFXCFSA-N 1 3 377.454 3.938 20 0 GHADHO C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246533427 1037467738 /nfs/dbraw/zinc/46/77/38/1037467738.db2.gz CRCRYUCBAGSEJC-MOPGFXCFSA-N 1 3 377.454 3.938 20 0 GHADHO Fc1ccc2c(c1)C1(CN2)CC[NH+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246607589 1037502616 /nfs/dbraw/zinc/50/26/16/1037502616.db2.gz RGPGTLWDMIGCQT-NHCUHLMSSA-N 1 3 379.523 3.948 20 0 GHADHO C1COC2(CCC(C3CCC([N@@H+]4CCC[C@]5(CCCNC5)C4)CC3)CC2)O1 ZINC001246609329 1037504081 /nfs/dbraw/zinc/50/40/81/1037504081.db2.gz LLVUITZYNADOMO-VTLFHKLASA-N 1 3 376.585 3.944 20 0 GHADHO C1COC2(CCC(C3CCC([N@H+]4CCC[C@]5(CCCNC5)C4)CC3)CC2)O1 ZINC001246609329 1037504101 /nfs/dbraw/zinc/50/41/01/1037504101.db2.gz LLVUITZYNADOMO-VTLFHKLASA-N 1 3 376.585 3.944 20 0 GHADHO C[C@H]1CC([N@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001246662425 1037533566 /nfs/dbraw/zinc/53/35/66/1037533566.db2.gz IZIDUDXXSGLTKX-QXVOXHNYSA-N 1 3 375.560 3.999 20 0 GHADHO C[C@H]1CC([N@@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001246662425 1037533581 /nfs/dbraw/zinc/53/35/81/1037533581.db2.gz IZIDUDXXSGLTKX-QXVOXHNYSA-N 1 3 375.560 3.999 20 0 GHADHO CC(C)(C)[C@H]1C[C@H](N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246770796 1037612186 /nfs/dbraw/zinc/61/21/86/1037612186.db2.gz UTFLLNYOUURROH-ADYITMSISA-N 1 3 378.601 3.983 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246917209 1037723781 /nfs/dbraw/zinc/72/37/81/1037723781.db2.gz WOJGVVAZDCMBTM-SLFFLAALSA-N 1 3 376.516 3.890 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)[C@H]1CCNC(C)(C)C1 ZINC001246917209 1037723804 /nfs/dbraw/zinc/72/38/04/1037723804.db2.gz WOJGVVAZDCMBTM-SLFFLAALSA-N 1 3 376.516 3.890 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@H]1CCNC(C)(C)C1 ZINC001246917209 1037723822 /nfs/dbraw/zinc/72/38/22/1037723822.db2.gz WOJGVVAZDCMBTM-SLFFLAALSA-N 1 3 376.516 3.890 20 0 GHADHO CCOC(=O)C1CCC([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246950681 1037752132 /nfs/dbraw/zinc/75/21/32/1037752132.db2.gz DJTBMCXRMSMIIV-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C1CCC([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246950681 1037752143 /nfs/dbraw/zinc/75/21/43/1037752143.db2.gz DJTBMCXRMSMIIV-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953292 1037759675 /nfs/dbraw/zinc/75/96/75/1037759675.db2.gz AXDAKADJWVNFAA-CRAIPNDOSA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246953292 1037759691 /nfs/dbraw/zinc/75/96/91/1037759691.db2.gz AXDAKADJWVNFAA-CRAIPNDOSA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246953292 1037759707 /nfs/dbraw/zinc/75/97/07/1037759707.db2.gz AXDAKADJWVNFAA-CRAIPNDOSA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)C1 ZINC001246959964 1037777181 /nfs/dbraw/zinc/77/71/81/1037777181.db2.gz KHUVXNTZGQSKBS-QFBILLFUSA-N 1 3 392.515 3.510 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)C1 ZINC001246959964 1037777202 /nfs/dbraw/zinc/77/72/02/1037777202.db2.gz KHUVXNTZGQSKBS-QFBILLFUSA-N 1 3 392.515 3.510 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H](N(Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246959964 1037777224 /nfs/dbraw/zinc/77/72/24/1037777224.db2.gz KHUVXNTZGQSKBS-QFBILLFUSA-N 1 3 392.515 3.510 20 0 GHADHO COC(=O)c1cccc(CN(C2CC[NH2+]CC2)[C@@H]2CCc3cccc(F)c3C2)c1 ZINC001246960397 1037780769 /nfs/dbraw/zinc/78/07/69/1037780769.db2.gz VJALKPSRBVPQDQ-OAQYLSRUSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)[C@@H]2CCc3cccc(F)c3C2)c1 ZINC001246960397 1037780788 /nfs/dbraw/zinc/78/07/88/1037780788.db2.gz VJALKPSRBVPQDQ-OAQYLSRUSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)[C@@H]2CCc3cccc(F)c3C2)c1 ZINC001246960397 1037780810 /nfs/dbraw/zinc/78/08/10/1037780810.db2.gz VJALKPSRBVPQDQ-OAQYLSRUSA-N 1 3 396.506 3.724 20 0 GHADHO COc1cc(C)c(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001232350796 1038128665 /nfs/dbraw/zinc/12/86/65/1038128665.db2.gz JXALWNMGIHLGDV-QFIPXVFZSA-N 1 3 395.547 3.654 20 0 GHADHO COc1cc(C)c(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001232350796 1038128675 /nfs/dbraw/zinc/12/86/75/1038128675.db2.gz JXALWNMGIHLGDV-QFIPXVFZSA-N 1 3 395.547 3.654 20 0 GHADHO CC(C)[NH+]1CCC(CN(C)Cc2c(Cl)c3ccccc3n(C)c2=O)CC1 ZINC001232642616 1038429622 /nfs/dbraw/zinc/42/96/22/1038429622.db2.gz RFNGMPPNWKGTNF-UHFFFAOYSA-N 1 3 375.944 3.744 20 0 GHADHO Cc1cc(C)c(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001233005474 1038765337 /nfs/dbraw/zinc/76/53/37/1038765337.db2.gz HTSXZDIRYNOWIV-QHCPKHFHSA-N 1 3 379.548 3.954 20 0 GHADHO Cc1cc(C)c(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001233005474 1038765345 /nfs/dbraw/zinc/76/53/45/1038765345.db2.gz HTSXZDIRYNOWIV-QHCPKHFHSA-N 1 3 379.548 3.954 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cnc(C)cc1C)CC2 ZINC001233006587 1038766062 /nfs/dbraw/zinc/76/60/62/1038766062.db2.gz RBZXFAPVQGNLAW-QHCPKHFHSA-N 1 3 394.563 3.597 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cnc(C)cc1C)CC2 ZINC001233006587 1038766068 /nfs/dbraw/zinc/76/60/68/1038766068.db2.gz RBZXFAPVQGNLAW-QHCPKHFHSA-N 1 3 394.563 3.597 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC001252383843 1038969361 /nfs/dbraw/zinc/96/93/61/1038969361.db2.gz XXDBIQWAFXAEJN-BDTNDASRSA-N 1 3 382.548 3.918 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC001252383843 1038969365 /nfs/dbraw/zinc/96/93/65/1038969365.db2.gz XXDBIQWAFXAEJN-BDTNDASRSA-N 1 3 382.548 3.918 20 0 GHADHO Cc1ccc(CN2C[C@@H]3C[NH+](Cc4ccc(O)c5[nH]c(=O)ccc45)C[C@H]3C2)cc1 ZINC001233292601 1039078819 /nfs/dbraw/zinc/07/88/19/1039078819.db2.gz REKYXNKWCJOMRI-WOJBJXKFSA-N 1 3 389.499 3.518 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@@H](O)c1ccc(F)cc1)CC2 ZINC001252843597 1039203150 /nfs/dbraw/zinc/20/31/50/1039203150.db2.gz WJJRXUJQSSZOJU-DHIUTWEWSA-N 1 3 398.522 3.615 20 0 GHADHO OC1(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254035758 1039967833 /nfs/dbraw/zinc/96/78/33/1039967833.db2.gz BDGIVXUJYRNAFS-XMMPIXPASA-N 1 3 378.560 3.968 20 0 GHADHO OC1(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254035758 1039967834 /nfs/dbraw/zinc/96/78/34/1039967834.db2.gz BDGIVXUJYRNAFS-XMMPIXPASA-N 1 3 378.560 3.968 20 0 GHADHO OC1(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040107 1039969953 /nfs/dbraw/zinc/96/99/53/1039969953.db2.gz OEXHDNMCULOTIY-XMMPIXPASA-N 1 3 394.559 3.695 20 0 GHADHO OC1(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040107 1039969957 /nfs/dbraw/zinc/96/99/57/1039969957.db2.gz OEXHDNMCULOTIY-XMMPIXPASA-N 1 3 394.559 3.695 20 0 GHADHO Cc1cccc(C)c1OC[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254049905 1039974593 /nfs/dbraw/zinc/97/45/93/1039974593.db2.gz RSAIOYPYIUXRPZ-NRFANRHFSA-N 1 3 382.548 3.687 20 0 GHADHO [NH3+]C1(Cc2ccccc2F)CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254618916 1040390042 /nfs/dbraw/zinc/39/00/42/1040390042.db2.gz GWUASCZRVGDLKK-UHFFFAOYSA-N 1 3 385.502 3.970 20 0 GHADHO CCOC(=O)c1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC001234947271 1040449812 /nfs/dbraw/zinc/44/98/12/1040449812.db2.gz NDYYCSVQLOCQBF-UHFFFAOYSA-N 1 3 381.520 3.680 20 0 GHADHO Cc1cc(I)c(CN2CCC3(CC[NH2+]CC3)CC2)cc1C ZINC001235133585 1040628531 /nfs/dbraw/zinc/62/85/31/1040628531.db2.gz PRTYKCLJSLOUGX-UHFFFAOYSA-N 1 3 398.332 3.874 20 0 GHADHO COC(=O)c1cc(Br)cc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235160558 1040653826 /nfs/dbraw/zinc/65/38/26/1040653826.db2.gz PQRJBYOGKWZIQJ-GOSISDBHSA-N 1 3 395.341 3.590 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)c1OC ZINC001235161623 1040654105 /nfs/dbraw/zinc/65/41/05/1040654105.db2.gz UCBNNHVUYCHLBR-MRXNPFEDSA-N 1 3 397.357 3.820 20 0 GHADHO CC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001235181628 1040671503 /nfs/dbraw/zinc/67/15/03/1040671503.db2.gz NMXDSQLKZLDTMW-QFIPXVFZSA-N 1 3 398.595 3.701 20 0 GHADHO CN(CCCc1c(F)cccc1Cl)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462482600 1070290636 /nfs/dbraw/zinc/29/06/36/1070290636.db2.gz WAWVOTQFLALAKD-JOCHJYFZSA-N 1 3 390.930 3.981 20 0 GHADHO CN(CCCc1c(F)cccc1Cl)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462482600 1070290654 /nfs/dbraw/zinc/29/06/54/1070290654.db2.gz WAWVOTQFLALAKD-JOCHJYFZSA-N 1 3 390.930 3.981 20 0 GHADHO CCOC(=O)[C@@]12CN(Cc3cc(Cl)c(Cl)cc3C)C[C@@H]1CC[NH2+]CC2 ZINC001235348142 1040823814 /nfs/dbraw/zinc/82/38/14/1040823814.db2.gz BADMWQOZOFTFJA-KXBFYZLASA-N 1 3 385.335 3.667 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C1)C2 ZINC001255212490 1040908644 /nfs/dbraw/zinc/90/86/44/1040908644.db2.gz KOSHQHUNTVTLNW-LILXYRQWSA-N 1 3 397.563 3.592 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C1)C2 ZINC001255212490 1040908649 /nfs/dbraw/zinc/90/86/49/1040908649.db2.gz KOSHQHUNTVTLNW-LILXYRQWSA-N 1 3 397.563 3.592 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)oc2c1 ZINC001235431286 1040932392 /nfs/dbraw/zinc/93/23/92/1040932392.db2.gz NJGKNTGMHVZMIK-KBPBESRZSA-N 1 3 378.314 3.802 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCC3(CC(N(C)Cc4ccncc4)C3)CC2)C1 ZINC001255359414 1040961473 /nfs/dbraw/zinc/96/14/73/1040961473.db2.gz BMBACBPKYUQKBC-SFTDATJTSA-N 1 3 399.579 3.880 20 0 GHADHO CCOC(=O)[C@H](CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391785 1040980828 /nfs/dbraw/zinc/98/08/28/1040980828.db2.gz TYNQCRVOCCFIRO-XZOQPEGZSA-N 1 3 380.532 3.978 20 0 GHADHO CCOC(=O)[C@H](CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391785 1040980830 /nfs/dbraw/zinc/98/08/30/1040980830.db2.gz TYNQCRVOCCFIRO-XZOQPEGZSA-N 1 3 380.532 3.978 20 0 GHADHO Cc1cccnc1N1CCCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255402684 1040989847 /nfs/dbraw/zinc/98/98/47/1040989847.db2.gz LUTPYGNUSNKWBX-HSZRJFAPSA-N 1 3 378.564 3.957 20 0 GHADHO Cc1cccnc1N1CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255402684 1040989849 /nfs/dbraw/zinc/98/98/49/1040989849.db2.gz LUTPYGNUSNKWBX-HSZRJFAPSA-N 1 3 378.564 3.957 20 0 GHADHO CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404952 1040991853 /nfs/dbraw/zinc/99/18/53/1040991853.db2.gz LTAOQHHIICZPOL-SFTDATJTSA-N 1 3 387.568 3.982 20 0 GHADHO CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404952 1040991855 /nfs/dbraw/zinc/99/18/55/1040991855.db2.gz LTAOQHHIICZPOL-SFTDATJTSA-N 1 3 387.568 3.982 20 0 GHADHO c1c(CN2CCC3(CC(OCC4CC4)C3)CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001235630009 1041060593 /nfs/dbraw/zinc/06/05/93/1041060593.db2.gz BAYCGFXZDPTEGK-UHFFFAOYSA-N 1 3 379.548 3.916 20 0 GHADHO Cc1cccc(N2CCC[C@]3(C2)C[N@H+](C2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001255676319 1041208283 /nfs/dbraw/zinc/20/82/83/1041208283.db2.gz FEPIWIYCHUTSSA-NHEYGOIWSA-N 1 3 383.580 3.682 20 0 GHADHO Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](C2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001255676319 1041208299 /nfs/dbraw/zinc/20/82/99/1041208299.db2.gz FEPIWIYCHUTSSA-NHEYGOIWSA-N 1 3 383.580 3.682 20 0 GHADHO Cc1ccc(SC[C@H](C)[N@H+]2CCc3ncc(CN4CCCC4)n3CC2)cc1 ZINC001255765338 1041281476 /nfs/dbraw/zinc/28/14/76/1041281476.db2.gz KUBFBBQYPSWENA-IBGZPJMESA-N 1 3 384.593 3.826 20 0 GHADHO Cc1ccc(SC[C@H](C)[N@@H+]2CCc3ncc(CN4CCCC4)n3CC2)cc1 ZINC001255765338 1041281492 /nfs/dbraw/zinc/28/14/92/1041281492.db2.gz KUBFBBQYPSWENA-IBGZPJMESA-N 1 3 384.593 3.826 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001255905419 1041387907 /nfs/dbraw/zinc/38/79/07/1041387907.db2.gz NRTYOMAUJXWLKB-QUCCMNQESA-N 1 3 377.573 3.796 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](N2Cc3cccc(F)c3C2=O)CC1 ZINC001255954360 1041434122 /nfs/dbraw/zinc/43/41/22/1041434122.db2.gz VJBBFDPJATZWBR-BHIYHBOVSA-N 1 3 375.532 3.803 20 0 GHADHO Cc1cnc(N2CCC(C[NH3+])CC2)nc1-c1cccc(CN2CCCCC2)c1F ZINC001236003822 1041495459 /nfs/dbraw/zinc/49/54/59/1041495459.db2.gz GXJQOBLLFZOAOS-UHFFFAOYSA-N 1 3 397.542 3.752 20 0 GHADHO [NH3+]C1CN([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(F)(F)F)o3)C2)C1 ZINC001236072367 1041523673 /nfs/dbraw/zinc/52/36/73/1041523673.db2.gz GMTWMBDFRNDAIA-OAHLLOKOSA-N 1 3 379.426 3.573 20 0 GHADHO CCCN(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC001236324536 1041671431 /nfs/dbraw/zinc/67/14/31/1041671431.db2.gz WYKZSTPCKNNAOG-XMMPIXPASA-N 1 3 392.591 3.583 20 0 GHADHO Cn1cc(CN(Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(C(F)(F)F)n1 ZINC001236381173 1041690767 /nfs/dbraw/zinc/69/07/67/1041690767.db2.gz KELHWFGQMWHKMJ-UHFFFAOYSA-N 1 3 384.421 3.580 20 0 GHADHO CC(C)(C)C[N@H+](Cc1c[nH]c2cc(Br)ncc12)C1CCNCC1 ZINC001236457132 1041720689 /nfs/dbraw/zinc/72/06/89/1041720689.db2.gz JFCCJRQDJWVJDS-UHFFFAOYSA-N 1 3 379.346 3.926 20 0 GHADHO CC(C)(C)C[N@@H+](Cc1c[nH]c2cc(Br)ncc12)C1CCNCC1 ZINC001236457132 1041720693 /nfs/dbraw/zinc/72/06/93/1041720693.db2.gz JFCCJRQDJWVJDS-UHFFFAOYSA-N 1 3 379.346 3.926 20 0 GHADHO COCCCOc1cc(C[N@H+](CC(C)(C)C)C2CCNCC2)ccc1OC ZINC001236457970 1041721813 /nfs/dbraw/zinc/72/18/13/1041721813.db2.gz SCDQKCFTLHWIJX-UHFFFAOYSA-N 1 3 378.557 3.711 20 0 GHADHO COCCCOc1cc(C[N@@H+](CC(C)(C)C)C2CCNCC2)ccc1OC ZINC001236457970 1041721823 /nfs/dbraw/zinc/72/18/23/1041721823.db2.gz SCDQKCFTLHWIJX-UHFFFAOYSA-N 1 3 378.557 3.711 20 0 GHADHO C[C@H]1C[C@@H](N2CCC([NH3+])(Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256462379 1041743447 /nfs/dbraw/zinc/74/34/47/1041743447.db2.gz LCWXBEFYBVGUDU-ICSRJNTNSA-N 1 3 387.568 3.810 20 0 GHADHO COc1ccc(CCN(Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc1OC ZINC001236517680 1041750561 /nfs/dbraw/zinc/75/05/61/1041750561.db2.gz OBCPTISABICBNU-UHFFFAOYSA-N 1 3 386.511 3.948 20 0 GHADHO COc1ccc(CC[N@H+](Cc2ccc(F)cc2C)C2CCNCC2)cc1OC ZINC001236517680 1041750566 /nfs/dbraw/zinc/75/05/66/1041750566.db2.gz OBCPTISABICBNU-UHFFFAOYSA-N 1 3 386.511 3.948 20 0 GHADHO COc1ccc(CC[N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)cc1OC ZINC001236517680 1041750568 /nfs/dbraw/zinc/75/05/68/1041750568.db2.gz OBCPTISABICBNU-UHFFFAOYSA-N 1 3 386.511 3.948 20 0 GHADHO COc1ccccc1Sc1ccc(CN2CCC(N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC001236622599 1041788621 /nfs/dbraw/zinc/78/86/21/1041788621.db2.gz QVTIVMPVXITZPK-LJQANCHMSA-N 1 3 397.588 3.844 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462563815 1070369111 /nfs/dbraw/zinc/36/91/11/1070369111.db2.gz IYRICBWXXINVAS-TYPHKJRUSA-N 1 3 385.552 3.954 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462563815 1070369127 /nfs/dbraw/zinc/36/91/27/1070369127.db2.gz IYRICBWXXINVAS-TYPHKJRUSA-N 1 3 385.552 3.954 20 0 GHADHO COc1cc(CN(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236779157 1041887328 /nfs/dbraw/zinc/88/73/28/1041887328.db2.gz FUEADJCXPMFKOP-SHTZXODSSA-N 1 3 384.362 3.971 20 0 GHADHO Clc1nc2[nH]cc(CN3CCC(CC4CC[NH2+]CC4)CC3)c2c(Cl)n1 ZINC001236975111 1041974288 /nfs/dbraw/zinc/97/42/88/1041974288.db2.gz GXGWOQXRVFMIOF-UHFFFAOYSA-N 1 3 382.339 3.818 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CCC4(CC[C@H]4[NH3+])CC3)c2n1 ZINC001237356118 1042166487 /nfs/dbraw/zinc/16/64/87/1042166487.db2.gz GXNLYJMILMFDFG-MRXNPFEDSA-N 1 3 390.325 3.709 20 0 GHADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(CC(=O)N(C(C)C)C4)CC3)cc21 ZINC001237879458 1042406914 /nfs/dbraw/zinc/40/69/14/1042406914.db2.gz MFMAHOPDERVBEH-UHFFFAOYSA-N 1 3 381.564 3.911 20 0 GHADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(CCc3ccc(F)cc3Cl)C2)C1 ZINC001278238710 1042611581 /nfs/dbraw/zinc/61/15/81/1042611581.db2.gz PZGBDFSLUSIUND-OAQYLSRUSA-N 1 3 381.967 3.761 20 0 GHADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(CCc3ccc(F)cc3Cl)C2)C1 ZINC001278238710 1042611584 /nfs/dbraw/zinc/61/15/84/1042611584.db2.gz PZGBDFSLUSIUND-OAQYLSRUSA-N 1 3 381.967 3.761 20 0 GHADHO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001462674897 1070462719 /nfs/dbraw/zinc/46/27/19/1070462719.db2.gz ZXVLWBBFHAQCCS-JAZQRGJZSA-N 1 3 379.589 3.875 20 0 GHADHO C[C@H]1C[C@@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542629 1043495600 /nfs/dbraw/zinc/49/56/00/1043495600.db2.gz PNHBUOWCGIDFHS-WSWWRLHASA-N 1 3 399.579 3.981 20 0 GHADHO C[C@H]1C[C@@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542629 1043495615 /nfs/dbraw/zinc/49/56/15/1043495615.db2.gz PNHBUOWCGIDFHS-WSWWRLHASA-N 1 3 399.579 3.981 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CCN(C(C)(C)C)CC3)C[C@@H]21 ZINC001256571041 1043544193 /nfs/dbraw/zinc/54/41/93/1043544193.db2.gz AVOJVQJRKSTGTH-WTIAFYNJSA-N 1 3 384.612 3.877 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCN(C(C)(C)C)CC3)C[C@@H]21 ZINC001256571041 1043544199 /nfs/dbraw/zinc/54/41/99/1043544199.db2.gz AVOJVQJRKSTGTH-WTIAFYNJSA-N 1 3 384.612 3.877 20 0 GHADHO C[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(F)c(Br)c1 ZINC001256681575 1043619509 /nfs/dbraw/zinc/61/95/09/1043619509.db2.gz XFSXUUPWTMGMEF-JEYLPNPQSA-N 1 3 385.321 3.882 20 0 GHADHO FC(F)(F)Oc1cccc2c1CC[C@@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683348 1043619771 /nfs/dbraw/zinc/61/97/71/1043619771.db2.gz YFKGTZKMKPYTRT-JMLCCBQJSA-N 1 3 384.442 3.806 20 0 GHADHO CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)C1CCC(N2CCOCC2)CC1 ZINC001256695636 1043627207 /nfs/dbraw/zinc/62/72/07/1043627207.db2.gz HSWLOLUFOLMUKJ-QNGMFEMESA-N 1 3 387.568 3.677 20 0 GHADHO CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)C1CCC(N2CCOCC2)CC1 ZINC001256695636 1043627215 /nfs/dbraw/zinc/62/72/15/1043627215.db2.gz HSWLOLUFOLMUKJ-QNGMFEMESA-N 1 3 387.568 3.677 20 0 GHADHO C[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001256838170 1043688220 /nfs/dbraw/zinc/68/82/20/1043688220.db2.gz OZQLAZRCMUTJRS-INIZCTEOSA-N 1 3 395.385 3.861 20 0 GHADHO FC(F)(F)c1ccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001256855324 1043704613 /nfs/dbraw/zinc/70/46/13/1043704613.db2.gz JEHOFUOREVUCNJ-UHFFFAOYSA-N 1 3 390.453 3.891 20 0 GHADHO CC(C)[NH+]1CCC(N[C@H](CO)Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001257212794 1043939149 /nfs/dbraw/zinc/93/91/49/1043939149.db2.gz BDEXDOABVAACQD-QHCPKHFHSA-N 1 3 382.548 3.631 20 0 GHADHO CC(C)C[NH+]1CCC(N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001258010504 1044336347 /nfs/dbraw/zinc/33/63/47/1044336347.db2.gz CHPILTDSZRYCEE-UHFFFAOYSA-N 1 3 379.589 3.830 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC1 ZINC001258011897 1044337548 /nfs/dbraw/zinc/33/75/48/1044337548.db2.gz MICRQQXSILIBSD-UHFFFAOYSA-N 1 3 382.527 3.804 20 0 GHADHO CC(C)CN1CCC([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC1 ZINC001258011897 1044337564 /nfs/dbraw/zinc/33/75/64/1044337564.db2.gz MICRQQXSILIBSD-UHFFFAOYSA-N 1 3 382.527 3.804 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001258013390 1044338158 /nfs/dbraw/zinc/33/81/58/1044338158.db2.gz QFEUXLMHAOZMQG-QFIPXVFZSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)CN1CCC([N@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001258013390 1044338176 /nfs/dbraw/zinc/33/81/76/1044338176.db2.gz QFEUXLMHAOZMQG-QFIPXVFZSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258142948 1044429091 /nfs/dbraw/zinc/42/90/91/1044429091.db2.gz DLDKAGYPDABUSO-HXUWFJFHSA-N 1 3 387.568 3.540 20 0 GHADHO c1ccc(CCN2CCC([NH+]3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)CC2)cc1 ZINC001258146217 1044435809 /nfs/dbraw/zinc/43/58/09/1044435809.db2.gz SSVIGESDZVTJIW-JWQCQUIFSA-N 1 3 389.587 3.757 20 0 GHADHO COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2CN2CCN(C)CC2)cc1 ZINC001258389435 1044530659 /nfs/dbraw/zinc/53/06/59/1044530659.db2.gz OTPRZYOZXAGYSP-FQEVSTJZSA-N 1 3 381.564 3.554 20 0 GHADHO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2CN2CCN(C)CC2)cc1 ZINC001258389436 1044530926 /nfs/dbraw/zinc/53/09/26/1044530926.db2.gz OTPRZYOZXAGYSP-HXUWFJFHSA-N 1 3 381.564 3.554 20 0 GHADHO CC1(C)COC2(CCC([NH2+]CC3CCN(Cc4ccccn4)CC3)CC2)OC1 ZINC001258521286 1044598925 /nfs/dbraw/zinc/59/89/25/1044598925.db2.gz HZCRITQFEPYLOH-UHFFFAOYSA-N 1 3 387.568 3.595 20 0 GHADHO Cc1cc(N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)CC2)cc[nH+]1 ZINC001258564417 1044642162 /nfs/dbraw/zinc/64/21/62/1044642162.db2.gz JDALYFQFVKIFRU-IBGZPJMESA-N 1 3 388.556 3.690 20 0 GHADHO COc1cc(C[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc(OC)c1OC ZINC001258861815 1044802564 /nfs/dbraw/zinc/80/25/64/1044802564.db2.gz KKSSLXLWIJNXDG-QGZVFWFLSA-N 1 3 390.568 3.888 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001262257832 1046222082 /nfs/dbraw/zinc/22/20/82/1046222082.db2.gz UDTLZNYBTQAYEV-RDGPPVDQSA-N 1 3 379.589 3.922 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606660115 1047327193 /nfs/dbraw/zinc/32/71/93/1047327193.db2.gz QOHXSSVNVVRZLW-DHIUTWEWSA-N 1 3 398.595 3.701 20 0 GHADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCN1C1CCCC1 ZINC001303541119 1047420536 /nfs/dbraw/zinc/42/05/36/1047420536.db2.gz WSGQOGQKZBYXCA-QUCCMNQESA-N 1 3 387.543 3.513 20 0 GHADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCN1C1CCCC1 ZINC001303541119 1047420543 /nfs/dbraw/zinc/42/05/43/1047420543.db2.gz WSGQOGQKZBYXCA-QUCCMNQESA-N 1 3 387.543 3.513 20 0 GHADHO CN1CCC[C@H](C[N@@H+]2CCC[C@]3(CCCN(CCCC(F)(F)F)C3)C2)C1 ZINC001279501766 1047826121 /nfs/dbraw/zinc/82/61/21/1047826121.db2.gz JKQCSJSALKWNLA-OALUTQOASA-N 1 3 375.523 3.849 20 0 GHADHO CN1CCC[C@H](C[N@H+]2CCC[C@]3(CCCN(CCCC(F)(F)F)C3)C2)C1 ZINC001279501766 1047826130 /nfs/dbraw/zinc/82/61/30/1047826130.db2.gz JKQCSJSALKWNLA-OALUTQOASA-N 1 3 375.523 3.849 20 0 GHADHO Brc1cccnc1CN1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279551830 1047838343 /nfs/dbraw/zinc/83/83/43/1047838343.db2.gz UUGVYCMKXYHSGV-IYBDPMFKSA-N 1 3 378.358 3.931 20 0 GHADHO Brc1cccnc1CN1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279551830 1047838350 /nfs/dbraw/zinc/83/83/50/1047838350.db2.gz UUGVYCMKXYHSGV-IYBDPMFKSA-N 1 3 378.358 3.931 20 0 GHADHO Cc1cc(CN2CCCC3(CC[NH+](CC4CCSCC4)CC3)C2)n(C)n1 ZINC001279643979 1047887520 /nfs/dbraw/zinc/88/75/20/1047887520.db2.gz FKXPHRLATOWEHK-UHFFFAOYSA-N 1 3 376.614 3.550 20 0 GHADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1cccnc1Cl)CC2 ZINC001279668061 1047906890 /nfs/dbraw/zinc/90/68/90/1047906890.db2.gz UNMISVUXHRDSKX-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1cccnc1Cl)CC2 ZINC001279668061 1047906895 /nfs/dbraw/zinc/90/68/95/1047906895.db2.gz UNMISVUXHRDSKX-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO Nc1ncc(CN2CCC3(CCC[N@H+](CCCC(F)(F)F)C3)CC2)s1 ZINC001279694129 1047919944 /nfs/dbraw/zinc/91/99/44/1047919944.db2.gz UECBARJGKHWIKA-UHFFFAOYSA-N 1 3 376.492 3.746 20 0 GHADHO Nc1ncc(CN2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)s1 ZINC001279694129 1047919949 /nfs/dbraw/zinc/91/99/49/1047919949.db2.gz UECBARJGKHWIKA-UHFFFAOYSA-N 1 3 376.492 3.746 20 0 GHADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3cc(C)cc(SC)c3)(C1)CCC2 ZINC001280167511 1048113132 /nfs/dbraw/zinc/11/31/32/1048113132.db2.gz KVHDOKAIRDHYNW-RTWAWAEBSA-N 1 3 378.582 3.862 20 0 GHADHO CCCC[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306685571 1048812244 /nfs/dbraw/zinc/81/22/44/1048812244.db2.gz GVCYORJYJBAXBG-RBUKOAKNSA-N 1 3 392.636 3.518 20 0 GHADHO CCCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306685571 1048812256 /nfs/dbraw/zinc/81/22/56/1048812256.db2.gz GVCYORJYJBAXBG-RBUKOAKNSA-N 1 3 392.636 3.518 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001307710135 1049525301 /nfs/dbraw/zinc/52/53/01/1049525301.db2.gz LCXJWCWOPSYADP-NRFANRHFSA-N 1 3 388.502 3.712 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001307710135 1049525312 /nfs/dbraw/zinc/52/53/12/1049525312.db2.gz LCXJWCWOPSYADP-NRFANRHFSA-N 1 3 388.502 3.712 20 0 GHADHO C/C=C\C[C@H]1CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001307973957 1049732893 /nfs/dbraw/zinc/73/28/93/1049732893.db2.gz LMVXLXLINRZGQV-YOXWTLATSA-N 1 3 383.580 3.754 20 0 GHADHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308089784 1049836670 /nfs/dbraw/zinc/83/66/70/1049836670.db2.gz OFHLXAZWOFZOMS-SFHVURJKSA-N 1 3 388.556 3.629 20 0 GHADHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308089784 1049836677 /nfs/dbraw/zinc/83/66/77/1049836677.db2.gz OFHLXAZWOFZOMS-SFHVURJKSA-N 1 3 388.556 3.629 20 0 GHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568455 1050013216 /nfs/dbraw/zinc/01/32/16/1050013216.db2.gz DYAODOJMYZTPGH-DZGCQCFKSA-N 1 3 383.330 3.540 20 0 GHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568455 1050013221 /nfs/dbraw/zinc/01/32/21/1050013221.db2.gz DYAODOJMYZTPGH-DZGCQCFKSA-N 1 3 383.330 3.540 20 0 GHADHO FC(F)Oc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC001328411817 1050501432 /nfs/dbraw/zinc/50/14/32/1050501432.db2.gz ATMFDUMAWBDDEX-OLZOCXBDSA-N 1 3 376.394 3.711 20 0 GHADHO CCOC(=O)c1c(C)c2ccccc2nc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001329498993 1050820890 /nfs/dbraw/zinc/82/08/90/1050820890.db2.gz KJVZENAZVGWCLN-UHFFFAOYSA-N 1 3 381.520 3.686 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1F ZINC001331972022 1051427752 /nfs/dbraw/zinc/42/77/52/1051427752.db2.gz OTUQKBFKPSVHAY-LQCXBHPOSA-N 1 3 398.522 3.741 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1F ZINC001331972022 1051427758 /nfs/dbraw/zinc/42/77/58/1051427758.db2.gz OTUQKBFKPSVHAY-LQCXBHPOSA-N 1 3 398.522 3.741 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC001311715312 1052351684 /nfs/dbraw/zinc/35/16/84/1052351684.db2.gz VLXVMAWVFBUOLN-RBBKRZOGSA-N 1 3 386.584 3.729 20 0 GHADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC001323193953 1056937266 /nfs/dbraw/zinc/93/72/66/1056937266.db2.gz UMOIUQYJTZVWQY-AEFFLSMTSA-N 1 3 390.572 3.797 20 0 GHADHO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000848533056 1057154111 /nfs/dbraw/zinc/15/41/11/1057154111.db2.gz GTSUAUDADNKLPP-RFUYNDQBSA-N 1 3 387.351 3.648 20 0 GHADHO COc1ccc([C@@H](C)CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849092633 1057592139 /nfs/dbraw/zinc/59/21/39/1057592139.db2.gz VXUONXLQIOUUNQ-IBGZPJMESA-N 1 3 394.563 3.967 20 0 GHADHO C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC001440633709 1058552327 /nfs/dbraw/zinc/55/23/27/1058552327.db2.gz BJKGJBHORSLABL-RTWAWAEBSA-N 1 3 385.596 3.710 20 0 GHADHO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC001440633709 1058552348 /nfs/dbraw/zinc/55/23/48/1058552348.db2.gz BJKGJBHORSLABL-RTWAWAEBSA-N 1 3 385.596 3.710 20 0 GHADHO CN(C)CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCCC1 ZINC001443434907 1059131256 /nfs/dbraw/zinc/13/12/56/1059131256.db2.gz WYTWHUFNGMVTGH-JOCHJYFZSA-N 1 3 383.580 3.622 20 0 GHADHO CN(C)CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCC1 ZINC001443434907 1059131261 /nfs/dbraw/zinc/13/12/61/1059131261.db2.gz WYTWHUFNGMVTGH-JOCHJYFZSA-N 1 3 383.580 3.622 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3-c3nccs3)CC2)CC1 ZINC001351115955 1064271235 /nfs/dbraw/zinc/27/12/35/1064271235.db2.gz NLDXZRLUURQHHF-UHFFFAOYSA-N 1 3 398.576 3.945 20 0 GHADHO COCC[NH+]1CCC(OC(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC1 ZINC000847884368 1066332356 /nfs/dbraw/zinc/33/23/56/1066332356.db2.gz HSOBJTVBGXXXQR-UHFFFAOYSA-N 1 3 396.531 3.586 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC001477674691 1078520751 /nfs/dbraw/zinc/52/07/51/1078520751.db2.gz QQEHIBHAGHQTSM-QFIPXVFZSA-N 1 3 386.584 3.696 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC001477674691 1078520759 /nfs/dbraw/zinc/52/07/59/1078520759.db2.gz QQEHIBHAGHQTSM-QFIPXVFZSA-N 1 3 386.584 3.696 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)N2CCCC2)cc1 ZINC001468387840 1067714023 /nfs/dbraw/zinc/71/40/23/1067714023.db2.gz KNTONCKMHCNXRH-QFIPXVFZSA-N 1 3 388.600 3.940 20 0 GHADHO CC1([NH+]2CCCC2)CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001468872682 1067914693 /nfs/dbraw/zinc/91/46/93/1067914693.db2.gz KKZKVIHTPIZGMN-QFIPXVFZSA-N 1 3 398.595 3.874 20 0 GHADHO CC(C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001359717806 1068152261 /nfs/dbraw/zinc/15/22/61/1068152261.db2.gz HNDLJEMXWMPQMZ-UHFFFAOYSA-N 1 3 390.620 3.585 20 0 GHADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCN(C2CCCCC2)CC1)[NH+](C)C ZINC001470094537 1068569998 /nfs/dbraw/zinc/56/99/98/1068569998.db2.gz LMZJWZOUOWIFHI-SIKLNZKXSA-N 1 3 386.584 3.646 20 0 GHADHO CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001460556003 1068994473 /nfs/dbraw/zinc/99/44/73/1068994473.db2.gz QWIPGFILMOTQKW-LOSJGSFVSA-N 1 3 393.575 3.893 20 0 GHADHO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001460556003 1068994475 /nfs/dbraw/zinc/99/44/75/1068994475.db2.gz QWIPGFILMOTQKW-LOSJGSFVSA-N 1 3 393.575 3.893 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001478766706 1078980106 /nfs/dbraw/zinc/98/01/06/1078980106.db2.gz RTNADOGNROBZOC-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001478766706 1078980109 /nfs/dbraw/zinc/98/01/09/1078980109.db2.gz RTNADOGNROBZOC-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(Br)cs2)[C@@H](C)C1 ZINC001473408627 1073953306 /nfs/dbraw/zinc/95/33/06/1073953306.db2.gz KSHBMMFIUFHPSI-XJKSGUPXSA-N 1 3 375.376 3.737 20 0 GHADHO C[NH+]1CCC(N2CC[C@H](NCc3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC001473994342 1074229290 /nfs/dbraw/zinc/22/92/90/1074229290.db2.gz ZIIIFPCNYWGKQP-HNNXBMFYSA-N 1 3 375.866 3.617 20 0 GHADHO CSc1cc(Br)ccc1C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001474067862 1074252474 /nfs/dbraw/zinc/25/24/74/1074252474.db2.gz HUHJHSPOGZQDEC-IAGOWNOFSA-N 1 3 399.398 3.638 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)CC1 ZINC001474169852 1074282403 /nfs/dbraw/zinc/28/24/03/1074282403.db2.gz WLEWTHKZXZBENV-DEOSSOPVSA-N 1 3 395.591 3.529 20 0 GHADHO CCN(Cc1ccc(OCC(=O)OC)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001474325175 1074343188 /nfs/dbraw/zinc/34/31/88/1074343188.db2.gz SMOQNVJMUYYDKZ-JOCHJYFZSA-N 1 3 396.531 3.582 20 0 GHADHO CCN(Cc1ccc(OCC(=O)OC)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001474325175 1074343193 /nfs/dbraw/zinc/34/31/93/1074343193.db2.gz SMOQNVJMUYYDKZ-JOCHJYFZSA-N 1 3 396.531 3.582 20 0 GHADHO COc1ccc([C@H](Cc2ccccc2)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC001474562694 1074464069 /nfs/dbraw/zinc/46/40/69/1074464069.db2.gz RYYMJQSNOYUJBR-QHCPKHFHSA-N 1 3 382.548 3.804 20 0 GHADHO C[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001546208493 1075069147 /nfs/dbraw/zinc/06/91/47/1075069147.db2.gz PQGZXONOGLYSBJ-RXVVDRJESA-N 1 3 390.531 3.931 20 0 GHADHO C[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001546208493 1075069150 /nfs/dbraw/zinc/06/91/50/1075069150.db2.gz PQGZXONOGLYSBJ-RXVVDRJESA-N 1 3 390.531 3.931 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC[NH+]1CCCCCC1 ZINC001495288239 1079398650 /nfs/dbraw/zinc/39/86/50/1079398650.db2.gz WXTIHKYGXHKYBM-ZCNNSNEGSA-N 1 3 390.620 3.587 20 0 GHADHO CC1CC[NH+](C2CCC([NH2+][C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)CC2)CC1 ZINC000824953662 608524509 /nfs/dbraw/zinc/52/45/09/608524509.db2.gz GTYLUSRCOBRBMH-AOMIVXANSA-N 1 3 394.567 3.877 20 0 GHADHO CC1CC[NH+](C2CCC([NH2+][C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)CC2)CC1 ZINC000824953662 608524511 /nfs/dbraw/zinc/52/45/11/608524511.db2.gz GTYLUSRCOBRBMH-AOMIVXANSA-N 1 3 394.567 3.877 20 0 GHADHO c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(CN5CCCC5)cn4)[C@H]3C2)cc1 ZINC001164625875 719096215 /nfs/dbraw/zinc/09/62/15/719096215.db2.gz HEWXRASKIYNUGC-PKTZIBPZSA-N 1 3 376.548 3.778 20 0 GHADHO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(CN5CCCC5)cn4)[C@H]3C2)cc1 ZINC001164625875 719096219 /nfs/dbraw/zinc/09/62/19/719096219.db2.gz HEWXRASKIYNUGC-PKTZIBPZSA-N 1 3 376.548 3.778 20 0 GHADHO [NH3+][C@@H](CCC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 ZINC000237955828 837505693 /nfs/dbraw/zinc/50/56/93/837505693.db2.gz PAWNWOKTUXRMMF-NRFANRHFSA-N 1 3 383.561 3.697 20 0 GHADHO CN1CCC(O)(C[NH2+][C@@H](CC(C)(C)C)c2ccc(Br)cc2)CC1 ZINC000414126522 837742447 /nfs/dbraw/zinc/74/24/47/837742447.db2.gz RLKPYYUKQJBFLT-KRWDZBQOSA-N 1 3 383.374 3.973 20 0 GHADHO c1ccc(OCc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)cc1 ZINC000655724858 837748061 /nfs/dbraw/zinc/74/80/61/837748061.db2.gz IPIKMOTZBHRTJL-XMMPIXPASA-N 1 3 380.532 3.999 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000655735322 837784802 /nfs/dbraw/zinc/78/48/02/837784802.db2.gz GYTIUTNHYZRTLP-UWJYYQICSA-N 1 3 388.531 3.546 20 0 GHADHO C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000471131647 834866170 /nfs/dbraw/zinc/86/61/70/834866170.db2.gz SHVIFEKZEWVNNZ-HRAATJIYSA-N 1 3 379.504 3.916 20 0 GHADHO O[C@H]1CCN(C2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000668739947 834894036 /nfs/dbraw/zinc/89/40/36/834894036.db2.gz PZQYRYJZIIALFI-QFIPXVFZSA-N 1 3 386.486 3.628 20 0 GHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000650756483 835054530 /nfs/dbraw/zinc/05/45/30/835054530.db2.gz BTECPQTUXLSDPU-FGZHOGPDSA-N 1 3 386.561 3.589 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(c4ccsc4)CC3)CC2)CC1 ZINC000583821378 835093232 /nfs/dbraw/zinc/09/32/32/835093232.db2.gz HWSDBPOKQSIPFD-UHFFFAOYSA-N 1 3 389.609 3.650 20 0 GHADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCCCN3C3CCCC3)cc21 ZINC000433349130 844041746 /nfs/dbraw/zinc/04/17/46/844041746.db2.gz BNZOZZXWDZEVIS-OAQYLSRUSA-N 1 3 382.552 3.939 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCS2 ZINC000658142920 835453161 /nfs/dbraw/zinc/45/31/61/835453161.db2.gz ZVSDTBWWNLGLFS-RXVVDRJESA-N 1 3 384.545 3.589 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCS2 ZINC000658142920 835453164 /nfs/dbraw/zinc/45/31/64/835453164.db2.gz ZVSDTBWWNLGLFS-RXVVDRJESA-N 1 3 384.545 3.589 20 0 GHADHO COC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)c(F)c1 ZINC000658164325 835480724 /nfs/dbraw/zinc/48/07/24/835480724.db2.gz CMSJHLVTBKYSLA-OAQYLSRUSA-N 1 3 375.463 3.549 20 0 GHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000433381763 844075602 /nfs/dbraw/zinc/07/56/02/844075602.db2.gz LKVCEBNIKLKOOH-XZOQPEGZSA-N 1 3 395.547 3.641 20 0 GHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000433381759 844075828 /nfs/dbraw/zinc/07/58/28/844075828.db2.gz LKVCEBNIKLKOOH-GOTSBHOMSA-N 1 3 395.547 3.641 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000047302521 835743020 /nfs/dbraw/zinc/74/30/20/835743020.db2.gz IATJZEQEQGLEHI-XMMPIXPASA-N 1 3 393.575 3.880 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047302574 835743103 /nfs/dbraw/zinc/74/31/03/835743103.db2.gz YLJRXLKNWCYMLV-DEOSSOPVSA-N 1 3 391.559 3.852 20 0 GHADHO CC(C)[C@H](NCCC[NH+]1CCC(O)CC1)c1cc(F)cc(Br)c1 ZINC000657844643 835923459 /nfs/dbraw/zinc/92/34/59/835923459.db2.gz IJYRLWAXHCBUJN-SFHVURJKSA-N 1 3 387.337 3.722 20 0 GHADHO C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)N1CCN(C)CC1 ZINC000180463670 836175300 /nfs/dbraw/zinc/17/53/00/836175300.db2.gz LTUHVWZKFPGHNP-IIBYNOLFSA-N 1 3 375.919 3.794 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)CC1 ZINC000109660817 836460818 /nfs/dbraw/zinc/46/08/18/836460818.db2.gz GCIOEWYPCYYALT-GOTSBHOMSA-N 1 3 383.580 3.622 20 0 GHADHO CCOc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1OCC(F)(F)F ZINC000171128169 836461919 /nfs/dbraw/zinc/46/19/19/836461919.db2.gz QNUOCNVZJBOVFK-UHFFFAOYSA-N 1 3 386.458 3.990 20 0 GHADHO COC[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000414294997 836948381 /nfs/dbraw/zinc/94/83/81/836948381.db2.gz CUNRXKWVZIZCSF-OAQYLSRUSA-N 1 3 388.939 3.644 20 0 GHADHO CC1CCN([C@H](C[NH2+]Cc2ncc(CN(C)C)s2)c2cccs2)CC1 ZINC000510251501 837017990 /nfs/dbraw/zinc/01/79/90/837017990.db2.gz CIUDUTYMGRVHTI-QGZVFWFLSA-N 1 3 378.611 3.829 20 0 GHADHO COc1cc(C)c([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1OC ZINC000414312600 837059531 /nfs/dbraw/zinc/05/95/31/837059531.db2.gz WVETXPRWYAJCIU-IBGZPJMESA-N 1 3 398.547 3.690 20 0 GHADHO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548490943 844236635 /nfs/dbraw/zinc/23/66/35/844236635.db2.gz XIVZPDHZLYEVEJ-GVXSCFBNSA-N 1 3 393.575 3.560 20 0 GHADHO O=C1[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1c1ccc(Cl)cc1 ZINC000237700948 837308866 /nfs/dbraw/zinc/30/88/66/837308866.db2.gz VINOCHRAWPFIQH-JOCHJYFZSA-N 1 3 397.950 3.742 20 0 GHADHO COc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OCc1ccccc1 ZINC000579952487 837999561 /nfs/dbraw/zinc/99/95/61/837999561.db2.gz DSSXHAIKGQGXFQ-QPPBQGQZSA-N 1 3 396.531 3.602 20 0 GHADHO CC(C)[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533706980 838154576 /nfs/dbraw/zinc/15/45/76/838154576.db2.gz FYTZYIPLPJWIJR-OAQYLSRUSA-N 1 3 389.559 3.632 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)N(C)C)cc1 ZINC000415895995 838250329 /nfs/dbraw/zinc/25/03/29/838250329.db2.gz NPGBJAQNBGKXLU-QFIPXVFZSA-N 1 3 396.535 3.544 20 0 GHADHO CS(=O)(=O)c1cccc([C@H](N[C@@H]2CC[C@H](C[NH3+])C2)c2ccc(Cl)cc2)c1 ZINC000576389016 844357882 /nfs/dbraw/zinc/35/78/82/844357882.db2.gz PIJXFFCIAVIJPE-BOUXLOLZSA-N 1 3 392.952 3.550 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000460344820 839118730 /nfs/dbraw/zinc/11/87/30/839118730.db2.gz DOBLVERLBCKXGI-HROJSSOGSA-N 1 3 383.580 3.666 20 0 GHADHO CN1CCCC[C@H]1CC[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000472684368 839126064 /nfs/dbraw/zinc/12/60/64/839126064.db2.gz IQOXTUNULASJNK-FXAWDEMLSA-N 1 3 375.944 3.962 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)cc1CN1CCCCC1 ZINC000182664681 839129113 /nfs/dbraw/zinc/12/91/13/839129113.db2.gz IYMRIVZBUFHKSB-LJQANCHMSA-N 1 3 395.547 3.762 20 0 GHADHO CCCOc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(OCCC)c1 ZINC000415117972 839230114 /nfs/dbraw/zinc/23/01/14/839230114.db2.gz CSTLQKPJHSAJSX-IFMALSPDSA-N 1 3 390.568 3.983 20 0 GHADHO C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000378572617 839350925 /nfs/dbraw/zinc/35/09/25/839350925.db2.gz PLBPSYLLXZSUQE-GHTZIAJQSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@H](NCCc1nnc(-c2ccccc2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378572617 839350942 /nfs/dbraw/zinc/35/09/42/839350942.db2.gz PLBPSYLLXZSUQE-GHTZIAJQSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@H](NCCc1nnc(-c2ccccc2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378572617 839350958 /nfs/dbraw/zinc/35/09/58/839350958.db2.gz PLBPSYLLXZSUQE-GHTZIAJQSA-N 1 3 376.504 3.779 20 0 GHADHO COCCOCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000580797021 840192197 /nfs/dbraw/zinc/19/21/97/840192197.db2.gz NPOQVFUKDIUMBP-YKSBVNFPSA-N 1 3 382.548 3.850 20 0 GHADHO COCCOCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000580797021 840192203 /nfs/dbraw/zinc/19/22/03/840192203.db2.gz NPOQVFUKDIUMBP-YKSBVNFPSA-N 1 3 382.548 3.850 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511661417 840360414 /nfs/dbraw/zinc/36/04/14/840360414.db2.gz DFSYQYVJGFCUFM-RTWAWAEBSA-N 1 3 397.588 3.913 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511661417 840360427 /nfs/dbraw/zinc/36/04/27/840360427.db2.gz DFSYQYVJGFCUFM-RTWAWAEBSA-N 1 3 397.588 3.913 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000128159792 840672604 /nfs/dbraw/zinc/67/26/04/840672604.db2.gz HFBYSIZKXQNCSU-UHFFFAOYSA-N 1 3 377.532 3.548 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000581083144 840678218 /nfs/dbraw/zinc/67/82/18/840678218.db2.gz WKJIGPMRXAUQMX-QFIPXVFZSA-N 1 3 383.580 3.589 20 0 GHADHO c1ccc([C@@H]2CCCN(CCOCC[N@@H+]3CCC[C@@H](c4ccccn4)C3)C2)nc1 ZINC000660628678 841023662 /nfs/dbraw/zinc/02/36/62/841023662.db2.gz VOPFHYDAWHXLJC-FGZHOGPDSA-N 1 3 394.563 3.552 20 0 GHADHO c1ccc([C@@H]2CCCN(CCOCC[N@H+]3CCC[C@@H](c4ccccn4)C3)C2)nc1 ZINC000660628678 841023668 /nfs/dbraw/zinc/02/36/68/841023668.db2.gz VOPFHYDAWHXLJC-FGZHOGPDSA-N 1 3 394.563 3.552 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000500090077 841407087 /nfs/dbraw/zinc/40/70/87/841407087.db2.gz OIOIVAVNOVUSAK-HSZRJFAPSA-N 1 3 394.563 3.602 20 0 GHADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1OCc1ccncc1 ZINC000656787130 841927967 /nfs/dbraw/zinc/92/79/67/841927967.db2.gz USYZZRCPAQKVLC-JOCHJYFZSA-N 1 3 395.547 3.881 20 0 GHADHO C(CN1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661878173 842268307 /nfs/dbraw/zinc/26/83/07/842268307.db2.gz LZJDMQVJZSGVKN-MESAYYPLSA-N 1 3 378.601 3.939 20 0 GHADHO C(CN1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661878173 842268311 /nfs/dbraw/zinc/26/83/11/842268311.db2.gz LZJDMQVJZSGVKN-MESAYYPLSA-N 1 3 378.601 3.939 20 0 GHADHO C(CN1CCC[C@H]([C@@H]2CCCCO2)C1)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878173 842268322 /nfs/dbraw/zinc/26/83/22/842268322.db2.gz LZJDMQVJZSGVKN-MESAYYPLSA-N 1 3 378.601 3.939 20 0 GHADHO C(CN1CCC[C@H]([C@@H]2CCCCO2)C1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878173 842268326 /nfs/dbraw/zinc/26/83/26/842268326.db2.gz LZJDMQVJZSGVKN-MESAYYPLSA-N 1 3 378.601 3.939 20 0 GHADHO CN1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000623657591 861302015 /nfs/dbraw/zinc/30/20/15/861302015.db2.gz VCMNWYDQLWSSII-GFCCVEGCSA-N 1 3 383.359 3.722 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000652361916 842370324 /nfs/dbraw/zinc/37/03/24/842370324.db2.gz SJMFHFVPBIGEJJ-UXPWSPDFSA-N 1 3 375.900 3.856 20 0 GHADHO CC(C)[C@@H](CCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000581932213 842748721 /nfs/dbraw/zinc/74/87/21/842748721.db2.gz PXSLALCNFRYZMK-HSZRJFAPSA-N 1 3 385.596 3.566 20 0 GHADHO C[C@@H]1CCCN(CC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313269 843133680 /nfs/dbraw/zinc/13/36/80/843133680.db2.gz INSRSLYCDBZDOA-SFGWALBWSA-N 1 3 385.577 3.793 20 0 GHADHO Cc1cc(NC(=O)C[C@@H]2NCc3ccccc32)ccc1OCC[NH+]1CCCC1 ZINC000662466114 843299562 /nfs/dbraw/zinc/29/95/62/843299562.db2.gz BWKQTAHWNCQBMN-NRFANRHFSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000662484485 843322782 /nfs/dbraw/zinc/32/27/82/843322782.db2.gz LFNQLUDMYDCAMY-JTSKRJEESA-N 1 3 379.504 3.580 20 0 GHADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000662484485 843322793 /nfs/dbraw/zinc/32/27/93/843322793.db2.gz LFNQLUDMYDCAMY-JTSKRJEESA-N 1 3 379.504 3.580 20 0 GHADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662501936 843354292 /nfs/dbraw/zinc/35/42/92/843354292.db2.gz HMZANAYPQDJVKY-ZEYPLWLESA-N 1 3 377.532 3.905 20 0 GHADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662501936 843354299 /nfs/dbraw/zinc/35/42/99/843354299.db2.gz HMZANAYPQDJVKY-ZEYPLWLESA-N 1 3 377.532 3.905 20 0 GHADHO CC1CCN([C@H](CNC(=O)c2cccc3c2CC[NH2+]C3)c2ccccc2)CC1 ZINC000662693707 843523452 /nfs/dbraw/zinc/52/34/52/843523452.db2.gz WCRGWOZRGVOBNM-HSZRJFAPSA-N 1 3 377.532 3.535 20 0 GHADHO CN(C)C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000418670275 843528097 /nfs/dbraw/zinc/52/80/97/843528097.db2.gz KGMDHEKYAURGGH-PMACEKPBSA-N 1 3 388.943 3.722 20 0 GHADHO Cc1cc(NC(=O)CCCN2CCN(c3ccccc3)CC2)ccc1C[NH+](C)C ZINC000458295467 844803092 /nfs/dbraw/zinc/80/30/92/844803092.db2.gz WRQWYYSRTLWORW-UHFFFAOYSA-N 1 3 394.563 3.598 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)n1 ZINC000512626309 844805576 /nfs/dbraw/zinc/80/55/76/844805576.db2.gz TUSCCMDOZCYPKP-QTJGBDASSA-N 1 3 387.531 3.658 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)n1 ZINC000512626309 844805579 /nfs/dbraw/zinc/80/55/79/844805579.db2.gz TUSCCMDOZCYPKP-QTJGBDASSA-N 1 3 387.531 3.658 20 0 GHADHO OCC[NH+]1CCC(CN[C@H](c2ccccc2)c2ccc3ccccc3n2)CC1 ZINC000512637434 844848294 /nfs/dbraw/zinc/84/82/94/844848294.db2.gz VTUUZUYEPGSHLO-XMMPIXPASA-N 1 3 375.516 3.618 20 0 GHADHO Cc1ccnc(N)c1CNc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000894115175 845240308 /nfs/dbraw/zinc/24/03/08/845240308.db2.gz KRTRYKIPTVNXED-OAHLLOKOSA-N 1 3 385.487 3.536 20 0 GHADHO Cc1ccnc(N)c1CNc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000894115175 845240320 /nfs/dbraw/zinc/24/03/20/845240320.db2.gz KRTRYKIPTVNXED-OAHLLOKOSA-N 1 3 385.487 3.536 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)CC1 ZINC000411466450 845483240 /nfs/dbraw/zinc/48/32/40/845483240.db2.gz RMAWLELPZWAQAR-IBGZPJMESA-N 1 3 399.501 3.983 20 0 GHADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000179509030 861608431 /nfs/dbraw/zinc/60/84/31/861608431.db2.gz OKXMYSRIYCYTMP-CQSZACIVSA-N 1 3 378.314 3.635 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156966556 845777888 /nfs/dbraw/zinc/77/78/88/845777888.db2.gz RWQXRTLXTRKQAZ-GCJKJVERSA-N 1 3 395.547 3.633 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156966556 845777898 /nfs/dbraw/zinc/77/78/98/845777898.db2.gz RWQXRTLXTRKQAZ-GCJKJVERSA-N 1 3 395.547 3.633 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3ccnn3-c3ccncc3)cc2)C1 ZINC000657310880 846001883 /nfs/dbraw/zinc/00/18/83/846001883.db2.gz QTNIOSPHMJTXQG-IBGZPJMESA-N 1 3 375.520 3.789 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3ccnn3-c3ccncc3)cc2)C1 ZINC000657310880 846001892 /nfs/dbraw/zinc/00/18/92/846001892.db2.gz QTNIOSPHMJTXQG-IBGZPJMESA-N 1 3 375.520 3.789 20 0 GHADHO O=C(c1ccc2c(c1)CNC2)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000582123239 846419852 /nfs/dbraw/zinc/41/98/52/846419852.db2.gz NSSFTLXPIVWMNU-UHFFFAOYSA-N 1 3 383.923 3.681 20 0 GHADHO OC1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CCN(Cc2ccccc2)CC1 ZINC000414544083 846484444 /nfs/dbraw/zinc/48/44/44/846484444.db2.gz CJWTVWGPORAFAP-UHFFFAOYSA-N 1 3 387.527 3.865 20 0 GHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000501023813 846558213 /nfs/dbraw/zinc/55/82/13/846558213.db2.gz AARPDQIBFJYSEJ-OAQYLSRUSA-N 1 3 398.938 3.689 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000502875562 846560703 /nfs/dbraw/zinc/56/07/03/846560703.db2.gz MMBJHUGIVDWIGH-OYRHEFFESA-N 1 3 388.600 3.518 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000502875562 846560706 /nfs/dbraw/zinc/56/07/06/846560706.db2.gz MMBJHUGIVDWIGH-OYRHEFFESA-N 1 3 388.600 3.518 20 0 GHADHO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064417 846595857 /nfs/dbraw/zinc/59/58/57/846595857.db2.gz WTBBWTJPITXROS-OALUTQOASA-N 1 3 392.547 3.596 20 0 GHADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000502924072 846620428 /nfs/dbraw/zinc/62/04/28/846620428.db2.gz GNOAGNQKXLAGOY-LJQANCHMSA-N 1 3 394.563 3.651 20 0 GHADHO COc1ccc(CCC2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)cc1 ZINC000501109138 846650917 /nfs/dbraw/zinc/65/09/17/846650917.db2.gz HBPCFCXRWIETPK-UHFFFAOYSA-N 1 3 387.612 3.756 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501150359 846698487 /nfs/dbraw/zinc/69/84/87/846698487.db2.gz LNXGLYKDSTWESV-MJGOQNOKSA-N 1 3 380.602 3.695 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501150359 846698491 /nfs/dbraw/zinc/69/84/91/846698491.db2.gz LNXGLYKDSTWESV-MJGOQNOKSA-N 1 3 380.602 3.695 20 0 GHADHO [NH3+]C[C@@H]1CN(Cc2ccc(OCc3ccc(F)cc3)cc2)CC12CCOCC2 ZINC000582241805 846713524 /nfs/dbraw/zinc/71/35/24/846713524.db2.gz KKYBNXMMPNZXMY-HXUWFJFHSA-N 1 3 384.495 3.592 20 0 GHADHO CCc1ccc2occ(C(=O)N3CCC[N@@H+](C4CCN(CC)CC4)CC3)c2c1 ZINC000422010865 846750436 /nfs/dbraw/zinc/75/04/36/846750436.db2.gz CENFSKHTXSATPL-UHFFFAOYSA-N 1 3 383.536 3.627 20 0 GHADHO CCc1ccc2occ(C(=O)N3CCC[N@H+](C4CCN(CC)CC4)CC3)c2c1 ZINC000422010865 846750443 /nfs/dbraw/zinc/75/04/43/846750443.db2.gz CENFSKHTXSATPL-UHFFFAOYSA-N 1 3 383.536 3.627 20 0 GHADHO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000272293599 847039906 /nfs/dbraw/zinc/03/99/06/847039906.db2.gz FQMMWDJCDFTKLX-WFXMLNOXSA-N 1 3 377.532 3.767 20 0 GHADHO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000272293599 847039917 /nfs/dbraw/zinc/03/99/17/847039917.db2.gz FQMMWDJCDFTKLX-WFXMLNOXSA-N 1 3 377.532 3.767 20 0 GHADHO C[C@H](NCc1ccc(CN2CCCC2=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272552335 847108795 /nfs/dbraw/zinc/10/87/95/847108795.db2.gz FLSTVNIQQDATOQ-RDPSFJRHSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H](NCc1ccc(CN2CCCC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552335 847108799 /nfs/dbraw/zinc/10/87/99/847108799.db2.gz FLSTVNIQQDATOQ-RDPSFJRHSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272552335 847108804 /nfs/dbraw/zinc/10/88/04/847108804.db2.gz FLSTVNIQQDATOQ-RDPSFJRHSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2c(C(F)(F)F)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000657416874 847113689 /nfs/dbraw/zinc/11/36/89/847113689.db2.gz YPOOINYJBYDZBK-DOTOQJQBSA-N 1 3 380.458 3.829 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2c(C(F)(F)F)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657416874 847113700 /nfs/dbraw/zinc/11/37/00/847113700.db2.gz YPOOINYJBYDZBK-DOTOQJQBSA-N 1 3 380.458 3.829 20 0 GHADHO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272682507 847144273 /nfs/dbraw/zinc/14/42/73/847144273.db2.gz SUBMGSYAMSLVPK-GHTZIAJQSA-N 1 3 381.520 3.524 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272682507 847144282 /nfs/dbraw/zinc/14/42/82/847144282.db2.gz SUBMGSYAMSLVPK-GHTZIAJQSA-N 1 3 381.520 3.524 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272682507 847144290 /nfs/dbraw/zinc/14/42/90/847144290.db2.gz SUBMGSYAMSLVPK-GHTZIAJQSA-N 1 3 381.520 3.524 20 0 GHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1SC ZINC000272740612 847160282 /nfs/dbraw/zinc/16/02/82/847160282.db2.gz KWKPTCDQNADHJB-OXQOHEQNSA-N 1 3 386.561 3.835 20 0 GHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1SC ZINC000272740612 847160287 /nfs/dbraw/zinc/16/02/87/847160287.db2.gz KWKPTCDQNADHJB-OXQOHEQNSA-N 1 3 386.561 3.835 20 0 GHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000511123130 847212893 /nfs/dbraw/zinc/21/28/93/847212893.db2.gz PMZOPNSHJZNQOV-XMMPIXPASA-N 1 3 391.559 3.679 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000501826594 847215270 /nfs/dbraw/zinc/21/52/70/847215270.db2.gz KAWHMNJKSILNRO-GXKRZCMTSA-N 1 3 386.584 3.630 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000501826594 847215277 /nfs/dbraw/zinc/21/52/77/847215277.db2.gz KAWHMNJKSILNRO-GXKRZCMTSA-N 1 3 386.584 3.630 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000657429744 847244138 /nfs/dbraw/zinc/24/41/38/847244138.db2.gz KAFPPSVIBVRJCC-NGYIFUPDSA-N 1 3 380.532 3.855 20 0 GHADHO O=C(CN1CCC[C@H]1Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000501837252 847268514 /nfs/dbraw/zinc/26/85/14/847268514.db2.gz ORHPJBVIVIAFPM-DEOSSOPVSA-N 1 3 391.559 3.606 20 0 GHADHO COc1ccc(C[C@H](C)C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1F ZINC000273677134 847404425 /nfs/dbraw/zinc/40/44/25/847404425.db2.gz GRXNGGBUBCZQHX-IBGZPJMESA-N 1 3 391.575 3.503 20 0 GHADHO COc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)N2CCCCC2)cc1 ZINC000422769879 847816010 /nfs/dbraw/zinc/81/60/10/847816010.db2.gz VLFMBGPIINFESF-FOVJLYNBSA-N 1 3 381.564 3.770 20 0 GHADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccc(CN)nc2C)CC1)c1ccccc1 ZINC000422839892 847849444 /nfs/dbraw/zinc/84/94/44/847849444.db2.gz ANRHUEPJPRIFNQ-JTSKRJEESA-N 1 3 394.563 3.684 20 0 GHADHO Cc1ccc([C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)o1 ZINC000422875046 847876770 /nfs/dbraw/zinc/87/67/70/847876770.db2.gz BKPAXEXDTPDRTM-SXWKCWPCSA-N 1 3 381.520 3.570 20 0 GHADHO C[C@@H]([NH2+]C1(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CCCC1)c1ccccc1 ZINC000503726812 847924941 /nfs/dbraw/zinc/92/49/41/847924941.db2.gz MFZHRQSCJZQRBR-NQIIRXRSSA-N 1 3 384.568 3.528 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423025500 847944138 /nfs/dbraw/zinc/94/41/38/847944138.db2.gz OMOCHELONDTCLM-CQURBHOASA-N 1 3 390.934 3.985 20 0 GHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1Br ZINC000423093125 847976295 /nfs/dbraw/zinc/97/62/95/847976295.db2.gz FWHUYFLQPJANPU-ZZGLYJMHSA-N 1 3 397.332 3.581 20 0 GHADHO Fc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000657535378 848107799 /nfs/dbraw/zinc/10/77/99/848107799.db2.gz MNEGUJFBMNYRKG-UHFFFAOYSA-N 1 3 385.321 3.569 20 0 GHADHO COc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1OC(C)C ZINC000657613014 848328646 /nfs/dbraw/zinc/32/86/46/848328646.db2.gz UNBASHYLZDDSQY-UHFFFAOYSA-N 1 3 383.536 3.879 20 0 GHADHO COc1ccc2nc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)sc2c1 ZINC000657612694 848339215 /nfs/dbraw/zinc/33/92/15/848339215.db2.gz CQLRKGQFAJUMQL-UHFFFAOYSA-N 1 3 382.533 3.702 20 0 GHADHO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613859 848341847 /nfs/dbraw/zinc/34/18/47/848341847.db2.gz UPPBXKVHHKEYIK-UHFFFAOYSA-N 1 3 393.510 3.717 20 0 GHADHO COC(=O)c1ccc(CNCCCCC[NH+]2CCCC2)c(Br)c1 ZINC000582921126 848698499 /nfs/dbraw/zinc/69/84/99/848698499.db2.gz MKNMIXCMEUOFPS-UHFFFAOYSA-N 1 3 383.330 3.591 20 0 GHADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292670 849841562 /nfs/dbraw/zinc/84/15/62/849841562.db2.gz NVEHQWHLUIZTCF-IRXDYDNUSA-N 1 3 389.565 3.588 20 0 GHADHO C[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCCC2 ZINC000647291029 849844398 /nfs/dbraw/zinc/84/43/98/849844398.db2.gz CACIZBJZFMJBIK-HXUWFJFHSA-N 1 3 396.579 3.941 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423295352 849858081 /nfs/dbraw/zinc/85/80/81/849858081.db2.gz WSACMPDUIHFBNN-ZPMCFJSWSA-N 1 3 386.561 3.889 20 0 GHADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(SCC(F)F)cc1 ZINC000423403665 849909373 /nfs/dbraw/zinc/90/93/73/849909373.db2.gz ZHGYHQAFTCOCJN-WFASDCNBSA-N 1 3 397.457 3.531 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423407114 849911402 /nfs/dbraw/zinc/91/14/02/849911402.db2.gz VJFHENQWTUMJII-JTNHKYCSSA-N 1 3 377.838 3.664 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423407114 849911414 /nfs/dbraw/zinc/91/14/14/849911414.db2.gz VJFHENQWTUMJII-JTNHKYCSSA-N 1 3 377.838 3.664 20 0 GHADHO CC(C)n1cncc1CNCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000424143987 850247924 /nfs/dbraw/zinc/24/79/24/850247924.db2.gz KPKAPCLRTGKBAR-UHFFFAOYSA-N 1 3 395.473 3.524 20 0 GHADHO COc1ccc(-c2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1OC ZINC000424288540 850333436 /nfs/dbraw/zinc/33/34/36/850333436.db2.gz KMYIRLSGEVBWPL-OAHLLOKOSA-N 1 3 387.549 3.791 20 0 GHADHO COc1ccc(C(=O)Nc2cccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000435373336 850420788 /nfs/dbraw/zinc/42/07/88/850420788.db2.gz DRPDAUIIYDCFFF-BWAGFHJFSA-N 1 3 379.504 3.507 20 0 GHADHO O[C@@H]1CCN(C2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000668739946 850456419 /nfs/dbraw/zinc/45/64/19/850456419.db2.gz PZQYRYJZIIALFI-JOCHJYFZSA-N 1 3 386.486 3.628 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNCc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000414816175 850710925 /nfs/dbraw/zinc/71/09/25/850710925.db2.gz ZKDLVEPSZDWSFC-CYBMUJFWSA-N 1 3 391.309 3.920 20 0 GHADHO [NH3+][C@@H](CNC1CCN(Cc2ccccc2Br)CC1)c1ccccc1 ZINC000414825194 850796412 /nfs/dbraw/zinc/79/64/12/850796412.db2.gz BXPFCJMYUWXDOO-FQEVSTJZSA-N 1 3 388.353 3.703 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414832425 850870576 /nfs/dbraw/zinc/87/05/76/850870576.db2.gz DMEIZYDVTJZNOR-SUMWQHHRSA-N 1 3 382.346 3.663 20 0 GHADHO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000440209220 850920553 /nfs/dbraw/zinc/92/05/53/850920553.db2.gz BQLTVGOWCMGRKA-GOSISDBHSA-N 1 3 380.602 3.503 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000514040011 851144893 /nfs/dbraw/zinc/14/48/93/851144893.db2.gz SFKLRTDJLHKJMX-XPWALMASSA-N 1 3 398.595 3.699 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000514040011 851144900 /nfs/dbraw/zinc/14/49/00/851144900.db2.gz SFKLRTDJLHKJMX-XPWALMASSA-N 1 3 398.595 3.699 20 0 GHADHO Cc1ccc(Cl)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000434482326 851170422 /nfs/dbraw/zinc/17/04/22/851170422.db2.gz HIZYFHORILIBTK-UHFFFAOYSA-N 1 3 378.948 3.637 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000514236854 851443129 /nfs/dbraw/zinc/44/31/29/851443129.db2.gz ZGYVTYQSOHYMLB-VWPQPMDRSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000514236854 851443135 /nfs/dbraw/zinc/44/31/35/851443135.db2.gz ZGYVTYQSOHYMLB-VWPQPMDRSA-N 1 3 386.584 3.694 20 0 GHADHO COc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCOCC1 ZINC001167979095 851936252 /nfs/dbraw/zinc/93/62/52/851936252.db2.gz VCFQRDJDSBVHKV-FRIKZZABSA-N 1 3 384.564 3.782 20 0 GHADHO COCCOc1ccccc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000515929898 851953932 /nfs/dbraw/zinc/95/39/32/851953932.db2.gz NYZMHVJXYNIUJF-FYYLOGMGSA-N 1 3 380.532 3.666 20 0 GHADHO COCCOc1ccccc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000515929898 851953941 /nfs/dbraw/zinc/95/39/41/851953941.db2.gz NYZMHVJXYNIUJF-FYYLOGMGSA-N 1 3 380.532 3.666 20 0 GHADHO c1ncn(Cc2ccc(CN[C@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)cc2)n1 ZINC000638338475 852714470 /nfs/dbraw/zinc/71/44/70/852714470.db2.gz BMHHLEIRPGUYKX-UPVQGACJSA-N 1 3 387.531 3.784 20 0 GHADHO c1ncn(Cc2ccc(CN[C@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)cc2)n1 ZINC000638338475 852714475 /nfs/dbraw/zinc/71/44/75/852714475.db2.gz BMHHLEIRPGUYKX-UPVQGACJSA-N 1 3 387.531 3.784 20 0 GHADHO CCN(CC)CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000518035864 852761347 /nfs/dbraw/zinc/76/13/47/852761347.db2.gz ABJLFBKBWPJOID-UHFFFAOYSA-N 1 3 379.548 3.907 20 0 GHADHO CC[NH+]1CCC(N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000426288537 853342325 /nfs/dbraw/zinc/34/23/25/853342325.db2.gz JKJGCXQIYJCMRH-NZQKXSOJSA-N 1 3 384.495 3.651 20 0 GHADHO C[C@H]1CN(CCCOc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490991170 853391842 /nfs/dbraw/zinc/39/18/42/853391842.db2.gz AFCUNSZEHOVDPP-REWPJTCUSA-N 1 3 387.612 3.711 20 0 GHADHO C[C@H](C(=O)NCCc1ccccc1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491028329 853406760 /nfs/dbraw/zinc/40/67/60/853406760.db2.gz OOBVAODHALDHFP-OAQYLSRUSA-N 1 3 393.575 3.578 20 0 GHADHO C[C@H](C(=O)NCCc1ccccc1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491028329 853406769 /nfs/dbraw/zinc/40/67/69/853406769.db2.gz OOBVAODHALDHFP-OAQYLSRUSA-N 1 3 393.575 3.578 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000437780563 853502954 /nfs/dbraw/zinc/50/29/54/853502954.db2.gz VSFZRUAFAXSMBU-FSSWDIPSSA-N 1 3 384.568 3.528 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000437780563 853502963 /nfs/dbraw/zinc/50/29/63/853502963.db2.gz VSFZRUAFAXSMBU-FSSWDIPSSA-N 1 3 384.568 3.528 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCc2cccc(C[N@@H+](C)CC)c2)N(C)C)cc1 ZINC000519934411 853618696 /nfs/dbraw/zinc/61/86/96/853618696.db2.gz PVOCUYJWDHRBGM-HSZRJFAPSA-N 1 3 396.579 3.803 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCc2cccc(C[N@H+](C)CC)c2)N(C)C)cc1 ZINC000519934411 853618699 /nfs/dbraw/zinc/61/86/99/853618699.db2.gz PVOCUYJWDHRBGM-HSZRJFAPSA-N 1 3 396.579 3.803 20 0 GHADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506152225 853623609 /nfs/dbraw/zinc/62/36/09/853623609.db2.gz GDAHOUWMBXTEMG-QHCPKHFHSA-N 1 3 398.595 3.559 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000507735286 853913423 /nfs/dbraw/zinc/91/34/23/853913423.db2.gz YTPKGOCMYCLYPM-AZUAARDMSA-N 1 3 395.538 3.771 20 0 GHADHO CN1CCN(CC[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1(C)C ZINC000441352226 854123698 /nfs/dbraw/zinc/12/36/98/854123698.db2.gz DUUZIXWOBJZMQY-UHFFFAOYSA-N 1 3 389.490 3.873 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccsc1 ZINC000669279362 854354188 /nfs/dbraw/zinc/35/41/88/854354188.db2.gz CACWKRDVIZIFBU-WSTZPKSXSA-N 1 3 392.613 3.552 20 0 GHADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458881441 854426169 /nfs/dbraw/zinc/42/61/69/854426169.db2.gz DLIHMIMKGRJVFS-FQEVSTJZSA-N 1 3 392.613 3.529 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120740 862669299 /nfs/dbraw/zinc/66/92/99/862669299.db2.gz FZULSTIVJQMBGP-HUUCEWRRSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120740 862669301 /nfs/dbraw/zinc/66/93/01/862669301.db2.gz FZULSTIVJQMBGP-HUUCEWRRSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120740 862669303 /nfs/dbraw/zinc/66/93/03/862669303.db2.gz FZULSTIVJQMBGP-HUUCEWRRSA-N 1 3 387.446 3.624 20 0 GHADHO CC[NH+](CC)[C@@H](C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000591101382 855775394 /nfs/dbraw/zinc/77/53/94/855775394.db2.gz MZVLDOUPTMGKFQ-RBBKRZOGSA-N 1 3 383.536 3.924 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000465790178 856042390 /nfs/dbraw/zinc/04/23/90/856042390.db2.gz SLUMZOHOWSXSHE-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO O=C(NCCCCC[NH+]1CCCC1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000508076009 856894694 /nfs/dbraw/zinc/89/46/94/856894694.db2.gz NTTQHGMFQAUXQA-HXUWFJFHSA-N 1 3 393.522 3.526 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465947687 857190599 /nfs/dbraw/zinc/19/05/99/857190599.db2.gz ICTXLMRKJMRLPU-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465947687 857190601 /nfs/dbraw/zinc/19/06/01/857190601.db2.gz ICTXLMRKJMRLPU-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccc(C)cc4C)C3)CC2)CC1 ZINC000574169311 857310309 /nfs/dbraw/zinc/31/03/09/857310309.db2.gz CHRRZNIFRKMCSC-JOCHJYFZSA-N 1 3 397.607 3.816 20 0 GHADHO CN(C)C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2O1 ZINC000675489991 857455397 /nfs/dbraw/zinc/45/53/97/857455397.db2.gz DVZFPJQXQGMBCH-NRFANRHFSA-N 1 3 393.531 3.642 20 0 GHADHO CN(C)C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2O1 ZINC000675489992 857455559 /nfs/dbraw/zinc/45/55/59/857455559.db2.gz DVZFPJQXQGMBCH-OAQYLSRUSA-N 1 3 393.531 3.642 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000486233001 857574782 /nfs/dbraw/zinc/57/47/82/857574782.db2.gz UWJLKMFAUYIVHN-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000486233001 857574784 /nfs/dbraw/zinc/57/47/84/857574784.db2.gz UWJLKMFAUYIVHN-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000675750048 857586882 /nfs/dbraw/zinc/58/68/82/857586882.db2.gz KYRUKRYULUAZNT-RTBURBONSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000675750048 857586889 /nfs/dbraw/zinc/58/68/89/857586889.db2.gz KYRUKRYULUAZNT-RTBURBONSA-N 1 3 390.535 3.888 20 0 GHADHO Cc1ccc([C@H](CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)N(C)C)cc1 ZINC000593500720 857613724 /nfs/dbraw/zinc/61/37/24/857613724.db2.gz KNEQEABANTWIJJ-QFIPXVFZSA-N 1 3 398.551 3.750 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000064226967 857685892 /nfs/dbraw/zinc/68/58/92/857685892.db2.gz GKBRUMWULCAFMS-CVDCTZTESA-N 1 3 394.563 3.773 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000064226967 857685899 /nfs/dbraw/zinc/68/58/99/857685899.db2.gz GKBRUMWULCAFMS-CVDCTZTESA-N 1 3 394.563 3.773 20 0 GHADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000543013236 857845668 /nfs/dbraw/zinc/84/56/68/857845668.db2.gz WZHOSKPPBPMQDP-QFIPXVFZSA-N 1 3 388.600 3.833 20 0 GHADHO Cc1cc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568328 857871156 /nfs/dbraw/zinc/87/11/56/857871156.db2.gz SLFJGAXURMTENX-DENIHFKCSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1cc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568328 857871163 /nfs/dbraw/zinc/87/11/63/857871163.db2.gz SLFJGAXURMTENX-DENIHFKCSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568328 857871171 /nfs/dbraw/zinc/87/11/71/857871171.db2.gz SLFJGAXURMTENX-DENIHFKCSA-N 1 3 375.520 3.576 20 0 GHADHO C[C@H](CN(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000066853764 857976958 /nfs/dbraw/zinc/97/69/58/857976958.db2.gz HHLDUCZRTATACL-RTWAWAEBSA-N 1 3 393.575 3.891 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442712614 858068230 /nfs/dbraw/zinc/06/82/30/858068230.db2.gz VBVDVHFNNVJPLD-OAQYLSRUSA-N 1 3 388.559 3.562 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000574750236 858157408 /nfs/dbraw/zinc/15/74/08/858157408.db2.gz LJCFIOJONDILOE-NZQKXSOJSA-N 1 3 382.548 3.858 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1(C)C ZINC000442876154 858191454 /nfs/dbraw/zinc/19/14/54/858191454.db2.gz PIKQUHVNUPHMPV-PKOBYXMFSA-N 1 3 383.502 3.957 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000079554701 858571401 /nfs/dbraw/zinc/57/14/01/858571401.db2.gz RXWKYMPAAIZNHI-QFIPXVFZSA-N 1 3 386.584 3.585 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000079554701 858571408 /nfs/dbraw/zinc/57/14/08/858571408.db2.gz RXWKYMPAAIZNHI-QFIPXVFZSA-N 1 3 386.584 3.585 20 0 GHADHO COC1CCN(C2(C[NH2+][C@@H]3CCN(Cc4ccccc4)C[C@@H]3C)CCCC2)CC1 ZINC000482636019 858724826 /nfs/dbraw/zinc/72/48/26/858724826.db2.gz LCKLJDDRSMTCKL-XUZZJYLKSA-N 1 3 399.623 3.910 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C)O1 ZINC000183454783 858750335 /nfs/dbraw/zinc/75/03/35/858750335.db2.gz QLQLAOWGOCIYOH-GJZGRUSLSA-N 1 3 392.437 3.746 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000474075732 858791624 /nfs/dbraw/zinc/79/16/24/858791624.db2.gz WGXJCXXSOAGLCW-IGKWTDBASA-N 1 3 394.559 3.890 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000474075732 858791631 /nfs/dbraw/zinc/79/16/31/858791631.db2.gz WGXJCXXSOAGLCW-IGKWTDBASA-N 1 3 394.559 3.890 20 0 GHADHO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522223410 858845993 /nfs/dbraw/zinc/84/59/93/858845993.db2.gz VTKASPXYSGCESF-NRFANRHFSA-N 1 3 378.520 3.528 20 0 GHADHO C[NH+](C)CC1CCC(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000184040562 858864930 /nfs/dbraw/zinc/86/49/30/858864930.db2.gz QFVHCELJVLQDFN-UHFFFAOYSA-N 1 3 382.339 3.784 20 0 GHADHO Cc1cc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc(C)c1F ZINC000482817757 858888826 /nfs/dbraw/zinc/88/88/26/858888826.db2.gz GULJRDAIORZCSU-WIYYLYMNSA-N 1 3 397.538 3.991 20 0 GHADHO Cc1cc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc(C)c1F ZINC000482817757 858888829 /nfs/dbraw/zinc/88/88/29/858888829.db2.gz GULJRDAIORZCSU-WIYYLYMNSA-N 1 3 397.538 3.991 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000466284217 858980508 /nfs/dbraw/zinc/98/05/08/858980508.db2.gz ZHUBCNCGBDIDJS-WMZHIEFXSA-N 1 3 394.563 3.601 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000466284217 858980515 /nfs/dbraw/zinc/98/05/15/858980515.db2.gz ZHUBCNCGBDIDJS-WMZHIEFXSA-N 1 3 394.563 3.601 20 0 GHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765976301 858983180 /nfs/dbraw/zinc/98/31/80/858983180.db2.gz MQMLLPKWFYDUBP-HNAYVOBHSA-N 1 3 386.565 3.808 20 0 GHADHO Fc1ccc2c(c1)[C@@H](N1CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942658 858998059 /nfs/dbraw/zinc/99/80/59/858998059.db2.gz FCUOQCUGYCDFPA-XXBNENTESA-N 1 3 394.538 3.742 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1 ZINC000543246620 859022098 /nfs/dbraw/zinc/02/20/98/859022098.db2.gz WTYZOHZVGBXVJL-LJQANCHMSA-N 1 3 383.536 3.603 20 0 GHADHO C[C@@H]1CC(NCCNC(=O)c2ccc(F)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023418 859097266 /nfs/dbraw/zinc/09/72/66/859097266.db2.gz WGLPJZGFUODAHF-QZTJIDSGSA-N 1 3 383.511 3.587 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccccc3)C(C)(C)C)CC2)CC1 ZINC000051760646 859313912 /nfs/dbraw/zinc/31/39/12/859313912.db2.gz UZOPWJIHGZDBLV-NRFANRHFSA-N 1 3 386.584 3.632 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CC3Cc4ccccc4C3)C2)ccn1 ZINC000856558240 881423488 /nfs/dbraw/zinc/42/34/88/881423488.db2.gz DISIDBMOQVLSCA-XMMPIXPASA-N 1 3 379.548 3.790 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CC3Cc4ccccc4C3)C2)ccn1 ZINC000856558240 881423600 /nfs/dbraw/zinc/42/36/00/881423600.db2.gz DISIDBMOQVLSCA-XMMPIXPASA-N 1 3 379.548 3.790 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558550 881424307 /nfs/dbraw/zinc/42/43/07/881424307.db2.gz JMKLUAQQSKAQRO-KNQAVFIVSA-N 1 3 395.547 3.941 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558550 881424313 /nfs/dbraw/zinc/42/43/13/881424313.db2.gz JMKLUAQQSKAQRO-KNQAVFIVSA-N 1 3 395.547 3.941 20 0 GHADHO C[C@H](CC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)N(C)Cc1ccccc1 ZINC000483687505 859542434 /nfs/dbraw/zinc/54/24/34/859542434.db2.gz WCUUAQMRELCTDO-MSOLQXFVSA-N 1 3 389.565 3.619 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCO1 ZINC000544361751 859680360 /nfs/dbraw/zinc/68/03/60/859680360.db2.gz ZVNYUPXWTGPTFO-XLIONFOSSA-N 1 3 399.501 3.765 20 0 GHADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC000922391431 859889690 /nfs/dbraw/zinc/88/96/90/859889690.db2.gz WHYAVQXYYWHMHH-ANTGDGSKSA-N 1 3 389.540 3.519 20 0 GHADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC000922391431 859889706 /nfs/dbraw/zinc/88/97/06/859889706.db2.gz WHYAVQXYYWHMHH-ANTGDGSKSA-N 1 3 389.540 3.519 20 0 GHADHO CC(C)CN(Cc1c(NC(=O)OC(C)(C)C)cnn1C)CC1CC[NH+](C)CC1 ZINC000895860727 859999985 /nfs/dbraw/zinc/99/99/85/859999985.db2.gz FIPWZFNNBXALPS-UHFFFAOYSA-N 1 3 393.576 3.567 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)N(C)C(=O)CO3)C[C@H](C)N1Cc1ccccc1 ZINC001168034919 860089444 /nfs/dbraw/zinc/08/94/44/860089444.db2.gz RNXMWJIABSDENF-RMFSNUHRSA-N 1 3 393.531 3.573 20 0 GHADHO FC(F)(F)Cn1cc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000536709084 860272542 /nfs/dbraw/zinc/27/25/42/860272542.db2.gz GHVNHLUICHTOPL-UHFFFAOYSA-N 1 3 392.469 3.934 20 0 GHADHO FC(F)(F)Cn1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000536709084 860272550 /nfs/dbraw/zinc/27/25/50/860272550.db2.gz GHVNHLUICHTOPL-UHFFFAOYSA-N 1 3 392.469 3.934 20 0 GHADHO C[C@@H]1CC(N[C@@H]2CCN(C(=O)C3CCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168037293 860409709 /nfs/dbraw/zinc/40/97/09/860409709.db2.gz XKDYWYXBXDTDFS-WOIUINJBSA-N 1 3 383.580 3.809 20 0 GHADHO Cc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2ccnn2C)c1 ZINC000904471573 860464180 /nfs/dbraw/zinc/46/41/80/860464180.db2.gz JDZBEGDUTFMWIA-URXFXBBRSA-N 1 3 388.515 3.741 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182226279 863156435 /nfs/dbraw/zinc/15/64/35/863156435.db2.gz YMBPVGNTGDTJPY-YADHBBJMSA-N 1 3 396.531 3.655 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182226279 863156442 /nfs/dbraw/zinc/15/64/42/863156442.db2.gz YMBPVGNTGDTJPY-YADHBBJMSA-N 1 3 396.531 3.655 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000482523670 863264311 /nfs/dbraw/zinc/26/43/11/863264311.db2.gz NTSDVVADMHTXBP-SFHVURJKSA-N 1 3 385.508 3.560 20 0 GHADHO Cc1ccsc1[C@@H](Cc1ccccc1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482550243 863295295 /nfs/dbraw/zinc/29/52/95/863295295.db2.gz FAYFEJXAZXTYGC-WOJBJXKFSA-N 1 3 385.577 3.517 20 0 GHADHO Cc1ccsc1[C@@H](Cc1ccccc1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482550243 863295306 /nfs/dbraw/zinc/29/53/06/863295306.db2.gz FAYFEJXAZXTYGC-WOJBJXKFSA-N 1 3 385.577 3.517 20 0 GHADHO Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)c2)cc1 ZINC000158708805 863924352 /nfs/dbraw/zinc/92/43/52/863924352.db2.gz WTTIHJHVHRSXBA-YCRNBWNJSA-N 1 3 379.548 3.743 20 0 GHADHO CN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475135595 864273032 /nfs/dbraw/zinc/27/30/32/864273032.db2.gz GFPJPYLHQMXXQJ-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475135595 864273044 /nfs/dbraw/zinc/27/30/44/864273044.db2.gz GFPJPYLHQMXXQJ-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO Cc1ncsc1-c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000667683143 864771595 /nfs/dbraw/zinc/77/15/95/864771595.db2.gz GLRMYDVCZRZXJP-DYESRHJHSA-N 1 3 384.593 3.576 20 0 GHADHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480620385 864983348 /nfs/dbraw/zinc/98/33/48/864983348.db2.gz ZMIJLXMVBWALAU-URXFXBBRSA-N 1 3 381.564 3.560 20 0 GHADHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480620385 864983358 /nfs/dbraw/zinc/98/33/58/864983358.db2.gz ZMIJLXMVBWALAU-URXFXBBRSA-N 1 3 381.564 3.560 20 0 GHADHO COc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)N2CCCC2)cc1 ZINC000480824670 865358043 /nfs/dbraw/zinc/35/80/43/865358043.db2.gz PRPPHCUBGWDMEX-NFBKMPQASA-N 1 3 399.579 3.603 20 0 GHADHO COc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)N2CCCC2)cc1 ZINC000480824670 865358054 /nfs/dbraw/zinc/35/80/54/865358054.db2.gz PRPPHCUBGWDMEX-NFBKMPQASA-N 1 3 399.579 3.603 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)N(C)C)cc1 ZINC000608656190 865561901 /nfs/dbraw/zinc/56/19/01/865561901.db2.gz PQUFNFGUNUOPNI-PKTZIBPZSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)N(C)C)cc1 ZINC000608656190 865561912 /nfs/dbraw/zinc/56/19/12/865561912.db2.gz PQUFNFGUNUOPNI-PKTZIBPZSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)N(C)C)cc1 ZINC000608656191 865562088 /nfs/dbraw/zinc/56/20/88/865562088.db2.gz PQUFNFGUNUOPNI-XZOQPEGZSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)N(C)C)cc1 ZINC000608656191 865562096 /nfs/dbraw/zinc/56/20/96/865562096.db2.gz PQUFNFGUNUOPNI-XZOQPEGZSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1ccc2cccc(NC(=O)NCC3(N4CCCCC4)CC[NH+](C)CC3)c2n1 ZINC000173097014 865766117 /nfs/dbraw/zinc/76/61/17/865766117.db2.gz SUFTZVSYSMPRAC-UHFFFAOYSA-N 1 3 395.551 3.615 20 0 GHADHO CC(C)N(C(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481189956 865973997 /nfs/dbraw/zinc/97/39/97/865973997.db2.gz KQRPHHKCSHXGRJ-REWPJTCUSA-N 1 3 379.548 3.928 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000478750753 866587795 /nfs/dbraw/zinc/58/77/95/866587795.db2.gz OQSLTLSQPUMROI-WIYYLYMNSA-N 1 3 398.551 3.804 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000478837916 866735534 /nfs/dbraw/zinc/73/55/34/866735534.db2.gz MXJPGAUITOJUJW-UHFFFAOYSA-N 1 3 388.600 3.934 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000478837916 866735541 /nfs/dbraw/zinc/73/55/41/866735541.db2.gz MXJPGAUITOJUJW-UHFFFAOYSA-N 1 3 388.600 3.934 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)c3ccccc3C)CC2)CC1 ZINC000553084363 866749473 /nfs/dbraw/zinc/74/94/73/866749473.db2.gz HMUGAZZLCZPKGQ-UHFFFAOYSA-N 1 3 385.596 3.585 20 0 GHADHO O=C(CN[C@@H](CCc1ccccc1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000553259472 867030918 /nfs/dbraw/zinc/03/09/18/867030918.db2.gz QPSHWTGPBJZYQA-DEOSSOPVSA-N 1 3 391.559 3.693 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC(N)(c2ccc(OC)cc2)CC1 ZINC001170428848 882043355 /nfs/dbraw/zinc/04/33/55/882043355.db2.gz OYLNCHOBYGYNPN-LJQANCHMSA-N 1 3 382.504 3.695 20 0 GHADHO COc1ccc(-c2nc(CNCCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cs2)cc1 ZINC000620756985 867275550 /nfs/dbraw/zinc/27/55/50/867275550.db2.gz PPXYTNCKFUOZHI-IAGOWNOFSA-N 1 3 389.565 3.798 20 0 GHADHO CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000455925348 867294980 /nfs/dbraw/zinc/29/49/80/867294980.db2.gz NAWLQALTMUSDJC-FYYLOGMGSA-N 1 3 392.547 3.974 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC000523433965 867308070 /nfs/dbraw/zinc/30/80/70/867308070.db2.gz DIOHYGLOZJANKR-UHFFFAOYSA-N 1 3 378.605 3.550 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000154276547 867330805 /nfs/dbraw/zinc/33/08/05/867330805.db2.gz PIIPMICTSHJOHJ-DEOSSOPVSA-N 1 3 399.554 3.735 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000154274840 867331561 /nfs/dbraw/zinc/33/15/61/867331561.db2.gz CIRXHFZGAXPNKJ-CVEARBPZSA-N 1 3 388.383 3.766 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(N(C)C)nc3ccccc23)[C@H](C)C1 ZINC000154459617 867414063 /nfs/dbraw/zinc/41/40/63/867414063.db2.gz QCKQWVCBQBGDGV-WIYYLYMNSA-N 1 3 384.568 3.527 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc(N(C)C)nc3ccccc23)[C@H](C)C1 ZINC000154459617 867414068 /nfs/dbraw/zinc/41/40/68/867414068.db2.gz QCKQWVCBQBGDGV-WIYYLYMNSA-N 1 3 384.568 3.527 20 0 GHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000553479561 867487900 /nfs/dbraw/zinc/48/79/00/867487900.db2.gz XKCJDLGSSXHAKG-PZJWPPBQSA-N 1 3 398.551 3.578 20 0 GHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000553479561 867487916 /nfs/dbraw/zinc/48/79/16/867487916.db2.gz XKCJDLGSSXHAKG-PZJWPPBQSA-N 1 3 398.551 3.578 20 0 GHADHO C[C@H](NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@@H](c1ccccc1)N(C)C ZINC000857182793 882095230 /nfs/dbraw/zinc/09/52/30/882095230.db2.gz OWDAXMHAKCNUEG-TZYHBYERSA-N 1 3 379.548 3.917 20 0 GHADHO C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@@H](c1ccccc1)N(C)C ZINC000857182793 882095244 /nfs/dbraw/zinc/09/52/44/882095244.db2.gz OWDAXMHAKCNUEG-TZYHBYERSA-N 1 3 379.548 3.917 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524447491 869096944 /nfs/dbraw/zinc/09/69/44/869096944.db2.gz RFTLNNRDYCZBGT-RBBKRZOGSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524447491 869096948 /nfs/dbraw/zinc/09/69/48/869096948.db2.gz RFTLNNRDYCZBGT-RBBKRZOGSA-N 1 3 386.584 3.605 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)CC1 ZINC000445889070 869114792 /nfs/dbraw/zinc/11/47/92/869114792.db2.gz YFSIWZXZNGTGJH-IBGZPJMESA-N 1 3 399.501 3.596 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000487519911 869338090 /nfs/dbraw/zinc/33/80/90/869338090.db2.gz RXNNPPHWJNUSMR-XMSQKQJNSA-N 1 3 380.536 3.780 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000487519911 869338099 /nfs/dbraw/zinc/33/80/99/869338099.db2.gz RXNNPPHWJNUSMR-XMSQKQJNSA-N 1 3 380.536 3.780 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190952938 882318763 /nfs/dbraw/zinc/31/87/63/882318763.db2.gz RCQPAONFFGMNIJ-GFCCVEGCSA-N 1 3 394.810 3.527 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CN1Cc1ccccc1 ZINC000446592408 870041768 /nfs/dbraw/zinc/04/17/68/870041768.db2.gz WSFSKROHKOAQPJ-WIYYLYMNSA-N 1 3 380.536 3.575 20 0 GHADHO CC(=O)N1CC[C@H](N[C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462815617 870145029 /nfs/dbraw/zinc/14/50/29/870145029.db2.gz YEPYKDGWNLZMJA-VXKWHMMOSA-N 1 3 375.532 3.589 20 0 GHADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000248461874 870437868 /nfs/dbraw/zinc/43/78/68/870437868.db2.gz XVZRHXXRCYOVFR-UWJYYQICSA-N 1 3 384.520 3.511 20 0 GHADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000248461874 870437882 /nfs/dbraw/zinc/43/78/82/870437882.db2.gz XVZRHXXRCYOVFR-UWJYYQICSA-N 1 3 384.520 3.511 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CSCCc2ccccc21 ZINC000248463315 870440502 /nfs/dbraw/zinc/44/05/02/870440502.db2.gz YWHNPGCDXSZKKU-JTHBVZDNSA-N 1 3 382.573 3.764 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CSCCc2ccccc21 ZINC000248463315 870440507 /nfs/dbraw/zinc/44/05/07/870440507.db2.gz YWHNPGCDXSZKKU-JTHBVZDNSA-N 1 3 382.573 3.764 20 0 GHADHO CC[C@@H](CO)[NH+]1CCN(c2c(C)c(C)nc3ccc(Br)cc32)CC1 ZINC000462934626 870486388 /nfs/dbraw/zinc/48/63/88/870486388.db2.gz CPHYGWUIYWLEPN-INIZCTEOSA-N 1 3 392.341 3.507 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000538752690 870570322 /nfs/dbraw/zinc/57/03/22/870570322.db2.gz GBWFKKHDNGPDQZ-UHFFFAOYSA-N 1 3 391.575 3.996 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000538752690 870570334 /nfs/dbraw/zinc/57/03/34/870570334.db2.gz GBWFKKHDNGPDQZ-UHFFFAOYSA-N 1 3 391.575 3.996 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000540158820 870619657 /nfs/dbraw/zinc/61/96/57/870619657.db2.gz ZNAHZHXVUVYMSQ-UYHISHBKSA-N 1 3 385.321 3.617 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000540156087 870643060 /nfs/dbraw/zinc/64/30/60/870643060.db2.gz FOJJYNJSBTUVGQ-QFBILLFUSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000540156087 870643065 /nfs/dbraw/zinc/64/30/65/870643065.db2.gz FOJJYNJSBTUVGQ-QFBILLFUSA-N 1 3 393.453 3.979 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1)CC(C)C ZINC000540198050 870738958 /nfs/dbraw/zinc/73/89/58/870738958.db2.gz AMOXYOYJRFRDJE-UHFFFAOYSA-N 1 3 384.568 3.583 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1)CC(C)C ZINC000540198050 870738965 /nfs/dbraw/zinc/73/89/65/870738965.db2.gz AMOXYOYJRFRDJE-UHFFFAOYSA-N 1 3 384.568 3.583 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+][C@@H]3CCCOCC3)CC2)c1 ZINC000538869167 870792706 /nfs/dbraw/zinc/79/27/06/870792706.db2.gz FVBUNGPVDRKRAX-LJQANCHMSA-N 1 3 399.501 3.766 20 0 GHADHO CCN(C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000538946866 870954835 /nfs/dbraw/zinc/95/48/35/870954835.db2.gz JKFYCBAFTYLPQP-UHFFFAOYSA-N 1 3 386.584 3.801 20 0 GHADHO CC(C)[NH+]1CCC(CCNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC001169118145 871209243 /nfs/dbraw/zinc/20/92/43/871209243.db2.gz RXAPPBVSSQMQRG-NRFANRHFSA-N 1 3 399.623 3.956 20 0 GHADHO Cc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)cc(C)c1I ZINC001205653373 871502375 /nfs/dbraw/zinc/50/23/75/871502375.db2.gz UARACJNHMAWKOK-BLLLJJGKSA-N 1 3 386.321 3.715 20 0 GHADHO CCOC(=O)N1CCC[C@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001169669569 871739193 /nfs/dbraw/zinc/73/91/93/871739193.db2.gz QZXYOCZGJWJMFO-SFHVURJKSA-N 1 3 393.959 3.687 20 0 GHADHO CC(C)c1noc(CCC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)n1 ZINC000539396648 871910506 /nfs/dbraw/zinc/91/05/06/871910506.db2.gz LSUGUIJXSJANPU-SFHVURJKSA-N 1 3 384.524 3.703 20 0 GHADHO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000526985838 872419872 /nfs/dbraw/zinc/41/98/72/872419872.db2.gz DDMJEYLZFYPATI-QFBILLFUSA-N 1 3 381.545 3.600 20 0 GHADHO N[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 ZINC000163860318 872630193 /nfs/dbraw/zinc/63/01/93/872630193.db2.gz QDLUMWZWLCWUMZ-IBGZPJMESA-N 1 3 392.330 3.774 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1)C1CC1 ZINC000552471950 872715930 /nfs/dbraw/zinc/71/59/30/872715930.db2.gz XQVPXJUWRPTBOK-HSZRJFAPSA-N 1 3 395.547 3.712 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1)C1CC1 ZINC000552471950 872715944 /nfs/dbraw/zinc/71/59/44/872715944.db2.gz XQVPXJUWRPTBOK-HSZRJFAPSA-N 1 3 395.547 3.712 20 0 GHADHO c1ccc(CN2C[C@@H](C[NH2+][C@@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882234 882762632 /nfs/dbraw/zinc/76/26/32/882762632.db2.gz IYOSEKLAYQQXII-PKTZIBPZSA-N 1 3 392.543 3.509 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H](CN[C@@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882234 882762642 /nfs/dbraw/zinc/76/26/42/882762642.db2.gz IYOSEKLAYQQXII-PKTZIBPZSA-N 1 3 392.543 3.509 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H](CN[C@@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882234 882762656 /nfs/dbraw/zinc/76/26/56/882762656.db2.gz IYOSEKLAYQQXII-PKTZIBPZSA-N 1 3 392.543 3.509 20 0 GHADHO C[C@H](CN1CCCC1=O)N[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000550887958 882774944 /nfs/dbraw/zinc/77/49/44/882774944.db2.gz VSAWKBGOGOBFBG-KNQAVFIVSA-N 1 3 389.559 3.979 20 0 GHADHO CCC1(N2CCC2)CC[NH+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001197890892 874092730 /nfs/dbraw/zinc/09/27/30/874092730.db2.gz HYDYSOCMAJWKMB-LJQANCHMSA-N 1 3 379.589 3.974 20 0 GHADHO COc1ccccc1[C@@H](C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)N(C)C ZINC000449061522 874398522 /nfs/dbraw/zinc/39/85/22/874398522.db2.gz GMHYNSQCFZXVGP-GBXCKJPGSA-N 1 3 395.591 3.983 20 0 GHADHO CN(C)Cc1ccc(C(N)=O)cc1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449055801 874432107 /nfs/dbraw/zinc/43/21/07/874432107.db2.gz MJXHPXZWJMIFET-UHFFFAOYSA-N 1 3 388.600 3.938 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000449142577 874528495 /nfs/dbraw/zinc/52/84/95/874528495.db2.gz OQTIYHKWLJGMFT-XXBNENTESA-N 1 3 391.559 3.757 20 0 GHADHO CN(CCCOc1ccc2c(c1)OCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464842133 874613404 /nfs/dbraw/zinc/61/34/04/874613404.db2.gz FSDNZARPIAOEBY-FQEVSTJZSA-N 1 3 382.504 3.638 20 0 GHADHO CN(CCCOc1ccc2c(c1)OCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464842133 874613413 /nfs/dbraw/zinc/61/34/13/874613413.db2.gz FSDNZARPIAOEBY-FQEVSTJZSA-N 1 3 382.504 3.638 20 0 GHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000464976089 874877871 /nfs/dbraw/zinc/87/78/71/874877871.db2.gz XTAXVVVNOQVLCH-DNQXCXABSA-N 1 3 391.559 3.632 20 0 GHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000464976089 874877875 /nfs/dbraw/zinc/87/78/75/874877875.db2.gz XTAXVVVNOQVLCH-DNQXCXABSA-N 1 3 391.559 3.632 20 0 GHADHO CCN1CC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542106802 874968655 /nfs/dbraw/zinc/96/86/55/874968655.db2.gz VQVGKPJQQSEERP-CTNGQTDRSA-N 1 3 381.486 3.703 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cnc3ccccn13)CC2 ZINC001203148652 875162467 /nfs/dbraw/zinc/16/24/67/875162467.db2.gz NLVTVOGZIFSCJW-UHFFFAOYSA-N 1 3 375.520 3.606 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cnc3ccccn13)CC2 ZINC001203148652 875162471 /nfs/dbraw/zinc/16/24/71/875162471.db2.gz NLVTVOGZIFSCJW-UHFFFAOYSA-N 1 3 375.520 3.606 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)N1CCCCC1 ZINC000465200394 875311425 /nfs/dbraw/zinc/31/14/25/875311425.db2.gz PWIQVQJKNYGBJB-DENIHFKCSA-N 1 3 387.568 3.856 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)N1CCCCC1 ZINC000465200394 875311443 /nfs/dbraw/zinc/31/14/43/875311443.db2.gz PWIQVQJKNYGBJB-DENIHFKCSA-N 1 3 387.568 3.856 20 0 GHADHO Cn1ccnc1[C@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449778342 875381569 /nfs/dbraw/zinc/38/15/69/875381569.db2.gz BKLZNUGGZAPXCN-RTBURBONSA-N 1 3 376.589 3.909 20 0 GHADHO COCCOc1ccc(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001200990625 875450657 /nfs/dbraw/zinc/45/06/57/875450657.db2.gz YRLFYNXQOCJYRY-PMACEKPBSA-N 1 3 382.548 3.958 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000192787345 883017405 /nfs/dbraw/zinc/01/74/05/883017405.db2.gz SAFAOXTVZXLDHI-QGZVFWFLSA-N 1 3 387.490 3.694 20 0 GHADHO O[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421707 876903254 /nfs/dbraw/zinc/90/32/54/876903254.db2.gz XPSMKNPBXQCOQA-YLJYHZDGSA-N 1 3 390.449 3.924 20 0 GHADHO O[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421707 876903262 /nfs/dbraw/zinc/90/32/62/876903262.db2.gz XPSMKNPBXQCOQA-YLJYHZDGSA-N 1 3 390.449 3.924 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786789788 876941413 /nfs/dbraw/zinc/94/14/13/876941413.db2.gz OAVYQHYSZRYAOI-IBGZPJMESA-N 1 3 392.547 3.840 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507226 876980353 /nfs/dbraw/zinc/98/03/53/876980353.db2.gz IEMQFFIASXGKAD-SUMWQHHRSA-N 1 3 394.346 3.993 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507226 876980359 /nfs/dbraw/zinc/98/03/59/876980359.db2.gz IEMQFFIASXGKAD-SUMWQHHRSA-N 1 3 394.346 3.993 20 0 GHADHO Cc1c([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509649 876981501 /nfs/dbraw/zinc/98/15/01/876981501.db2.gz SJHYMPFREWNTDB-MBSDFSHPSA-N 1 3 390.531 3.598 20 0 GHADHO Cc1c([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509649 876981512 /nfs/dbraw/zinc/98/15/12/876981512.db2.gz SJHYMPFREWNTDB-MBSDFSHPSA-N 1 3 390.531 3.598 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1OC ZINC000850558065 877024210 /nfs/dbraw/zinc/02/42/10/877024210.db2.gz PRFMFSHURKOJHZ-ZWKOTPCHSA-N 1 3 389.584 3.835 20 0 GHADHO C[C@@H](CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000530248705 877331642 /nfs/dbraw/zinc/33/16/42/877331642.db2.gz OJAXLSUEQQKMCD-HNAYVOBHSA-N 1 3 381.358 3.643 20 0 GHADHO CC[C@@H](c1ccc(Br)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238759 877347250 /nfs/dbraw/zinc/34/72/50/877347250.db2.gz BWMSWAYBRGCMSQ-OALUTQOASA-N 1 3 381.358 3.991 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000152653079 877387206 /nfs/dbraw/zinc/38/72/06/877387206.db2.gz MRFUOGZOYOFXRZ-APWZRJJASA-N 1 3 395.975 3.704 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000152653079 877387217 /nfs/dbraw/zinc/38/72/17/877387217.db2.gz MRFUOGZOYOFXRZ-APWZRJJASA-N 1 3 395.975 3.704 20 0 GHADHO CN(C)[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000175532168 877754470 /nfs/dbraw/zinc/75/44/70/877754470.db2.gz CAELBHQRWHNJFA-HSZRJFAPSA-N 1 3 394.563 3.595 20 0 GHADHO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]13)CC2 ZINC000477725228 878078821 /nfs/dbraw/zinc/07/88/21/878078821.db2.gz YOUHWVQDVNBOIT-SSGKUCQKSA-N 1 3 378.564 3.822 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H]3CCC[C@]4(CCOC4)O3)C2)s1 ZINC001170085349 878100841 /nfs/dbraw/zinc/10/08/41/878100841.db2.gz HOAFAWIWNXOQCH-SVFBPWRDSA-N 1 3 378.582 3.538 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H]3CCC[C@]4(CCOC4)O3)C2)s1 ZINC001170085349 878100843 /nfs/dbraw/zinc/10/08/43/878100843.db2.gz HOAFAWIWNXOQCH-SVFBPWRDSA-N 1 3 378.582 3.538 20 0 GHADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000788669645 878262824 /nfs/dbraw/zinc/26/28/24/878262824.db2.gz FOCJTSQIHKPCKR-AQNXPRMDSA-N 1 3 381.605 3.980 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852753456 878578991 /nfs/dbraw/zinc/57/89/91/878578991.db2.gz BHCAWGNKZROXBA-TZIWHRDSSA-N 1 3 398.595 3.716 20 0 GHADHO C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000537954750 878579060 /nfs/dbraw/zinc/57/90/60/878579060.db2.gz SXKDZPJICUKYSH-LAUBAEHRSA-N 1 3 399.510 3.612 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001183283012 912427780 /nfs/dbraw/zinc/42/77/80/912427780.db2.gz YUIPQMMGMGASFB-IWVAADPLSA-N 1 3 399.579 3.790 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000246395399 879510179 /nfs/dbraw/zinc/51/01/79/879510179.db2.gz LFUYCEICXPVSLX-GDIGMMSISA-N 1 3 381.358 3.868 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000247133727 879927404 /nfs/dbraw/zinc/92/74/04/879927404.db2.gz RVCBULGFAYZFHH-RTBURBONSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000247133727 879927409 /nfs/dbraw/zinc/92/74/09/879927409.db2.gz RVCBULGFAYZFHH-RTBURBONSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000617507689 880059267 /nfs/dbraw/zinc/05/92/67/880059267.db2.gz FZNNIURFIBMECF-NSHDSACASA-N 1 3 380.747 3.649 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000617507689 880059276 /nfs/dbraw/zinc/05/92/76/880059276.db2.gz FZNNIURFIBMECF-NSHDSACASA-N 1 3 380.747 3.649 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000531677081 880307047 /nfs/dbraw/zinc/30/70/47/880307047.db2.gz DCONADCYVJCJPM-ROUUACIJSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000531677081 880307053 /nfs/dbraw/zinc/30/70/53/880307053.db2.gz DCONADCYVJCJPM-ROUUACIJSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000531677081 880307064 /nfs/dbraw/zinc/30/70/64/880307064.db2.gz DCONADCYVJCJPM-ROUUACIJSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000531693251 880347851 /nfs/dbraw/zinc/34/78/51/880347851.db2.gz ABVWXMQTQKSILC-CQSZACIVSA-N 1 3 399.457 3.909 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000184742736 880371555 /nfs/dbraw/zinc/37/15/55/880371555.db2.gz FGDQRWGIFNNXMK-OALUTQOASA-N 1 3 397.538 3.530 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975751 880853766 /nfs/dbraw/zinc/85/37/66/880853766.db2.gz ZBTDYBQNBPPMQS-PGRDOPGGSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975751 880853784 /nfs/dbraw/zinc/85/37/84/880853784.db2.gz ZBTDYBQNBPPMQS-PGRDOPGGSA-N 1 3 397.950 3.814 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000132417761 881136727 /nfs/dbraw/zinc/13/67/27/881136727.db2.gz UAGJBJROUCOIAF-OAQYLSRUSA-N 1 3 391.987 3.887 20 0 GHADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000532120714 881176507 /nfs/dbraw/zinc/17/65/07/881176507.db2.gz AQYFKLVTRAMBBQ-UHFFFAOYSA-N 1 3 385.533 3.881 20 0 GHADHO C[N@H+](CCCNC(=O)N1CCCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000195642163 883529040 /nfs/dbraw/zinc/52/90/40/883529040.db2.gz DDUMDMQVEIWADY-UHFFFAOYSA-N 1 3 386.584 3.559 20 0 GHADHO C[N@@H+](CCCNC(=O)N1CCCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000195642163 883529045 /nfs/dbraw/zinc/52/90/45/883529045.db2.gz DDUMDMQVEIWADY-UHFFFAOYSA-N 1 3 386.584 3.559 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccco1 ZINC000476986358 883540528 /nfs/dbraw/zinc/54/05/28/883540528.db2.gz VKTKQQRKYXGVEJ-RXVVDRJESA-N 1 3 398.551 3.804 20 0 GHADHO CC[C@@H]1C[C@@H](N2CCC([NH3+])(CCOC)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170477399 883691883 /nfs/dbraw/zinc/69/18/83/883691883.db2.gz JSPBFGJQAATVAT-REPLKXPHSA-N 1 3 397.604 3.773 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)N(C)C)cc1 ZINC000079308841 883782251 /nfs/dbraw/zinc/78/22/51/883782251.db2.gz KFLUKMCZADOEKI-HXUWFJFHSA-N 1 3 379.504 3.836 20 0 GHADHO COC[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CCOCC1 ZINC000187983547 883824247 /nfs/dbraw/zinc/82/42/47/883824247.db2.gz OSTRTYCFCDLCJV-NRFANRHFSA-N 1 3 380.960 3.583 20 0 GHADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230023 884164820 /nfs/dbraw/zinc/16/48/20/884164820.db2.gz KXDGBZJLMLZLHW-ZRBLBEILSA-N 1 3 386.580 3.710 20 0 GHADHO CCO[C@@H]1C[C@](N)(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)C1(C)C ZINC000262794144 884513794 /nfs/dbraw/zinc/51/37/94/884513794.db2.gz PDIVXTIAKXUXAY-GWJPWWOOSA-N 1 3 389.584 3.545 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000666284778 884612408 /nfs/dbraw/zinc/61/24/08/884612408.db2.gz FEIZRVMIUICZRJ-OAQYLSRUSA-N 1 3 395.547 3.650 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000666284778 884612414 /nfs/dbraw/zinc/61/24/14/884612414.db2.gz FEIZRVMIUICZRJ-OAQYLSRUSA-N 1 3 395.547 3.650 20 0 GHADHO CN1CCN(CC[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1(C)C ZINC000556411483 884818008 /nfs/dbraw/zinc/81/80/08/884818008.db2.gz DEQOXRQTFDDNEK-UHFFFAOYSA-N 1 3 378.973 3.579 20 0 GHADHO C[C@@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000806932316 885097735 /nfs/dbraw/zinc/09/77/35/885097735.db2.gz XMWSBOPMCCACNJ-QBKZBJQZSA-N 1 3 386.584 3.774 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000303515125 885604948 /nfs/dbraw/zinc/60/49/48/885604948.db2.gz XSTYQGBDCXPANY-FQEVSTJZSA-N 1 3 396.579 3.847 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000303515125 885604959 /nfs/dbraw/zinc/60/49/59/885604959.db2.gz XSTYQGBDCXPANY-FQEVSTJZSA-N 1 3 396.579 3.847 20 0 GHADHO C[NH+](C)CCCOc1cnccc1CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000808720160 886704202 /nfs/dbraw/zinc/70/42/02/886704202.db2.gz OEPNDJURJCCOPY-QHCPKHFHSA-N 1 3 383.536 3.670 20 0 GHADHO CCN(CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168500978 887580166 /nfs/dbraw/zinc/58/01/66/887580166.db2.gz LMMFRDCBYYKNKJ-LSDHHAIUSA-N 1 3 381.483 3.638 20 0 GHADHO C[C@H]1C[C@H](CCNCc2cnc(C3OCCO3)s2)C[N@@H+]1Cc1ccccc1 ZINC000809629575 887629862 /nfs/dbraw/zinc/62/98/62/887629862.db2.gz VENNJZYAMVSMJU-WMZOPIPTSA-N 1 3 387.549 3.579 20 0 GHADHO C[C@H]1C[C@H](CCNCc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629575 887629867 /nfs/dbraw/zinc/62/98/67/887629867.db2.gz VENNJZYAMVSMJU-WMZOPIPTSA-N 1 3 387.549 3.579 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000105123995 887694393 /nfs/dbraw/zinc/69/43/93/887694393.db2.gz AGSFHISZEOARAI-IEBWSBKVSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000105123995 887694405 /nfs/dbraw/zinc/69/44/05/887694405.db2.gz AGSFHISZEOARAI-IEBWSBKVSA-N 1 3 380.602 3.551 20 0 GHADHO C[C@@H](NCc1ccc(C2(C)OCCO2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000866420425 888864925 /nfs/dbraw/zinc/86/49/25/888864925.db2.gz DGHBDQCODMANSC-GOSISDBHSA-N 1 3 384.520 3.697 20 0 GHADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)CO[C@H]1CCCc2ccccc21 ZINC000644513819 913327722 /nfs/dbraw/zinc/32/77/22/913327722.db2.gz VJSUYJKSMBHHRV-NOZRDPDXSA-N 1 3 394.559 3.827 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000125954277 890283908 /nfs/dbraw/zinc/28/39/08/890283908.db2.gz LXNMDFJQESTDGB-HOTGVXAUSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000125954277 890283918 /nfs/dbraw/zinc/28/39/18/890283918.db2.gz LXNMDFJQESTDGB-HOTGVXAUSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000125954277 890283933 /nfs/dbraw/zinc/28/39/33/890283933.db2.gz LXNMDFJQESTDGB-HOTGVXAUSA-N 1 3 396.373 3.876 20 0 GHADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1cccc(OCc2ccccc2)c1 ZINC000123638269 890825202 /nfs/dbraw/zinc/82/52/02/890825202.db2.gz CLIQDFGBSGAEDC-DEOSSOPVSA-N 1 3 380.532 3.763 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1 ZINC000497418455 891536442 /nfs/dbraw/zinc/53/64/42/891536442.db2.gz PVOJKJGUALLNRH-GOTSBHOMSA-N 1 3 379.548 3.746 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1 ZINC000497418455 891536447 /nfs/dbraw/zinc/53/64/47/891536447.db2.gz PVOJKJGUALLNRH-GOTSBHOMSA-N 1 3 379.548 3.746 20 0 GHADHO CCO[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000813881348 892063422 /nfs/dbraw/zinc/06/34/22/892063422.db2.gz OUHLYUAIFSQQTJ-QXVGPVHTSA-N 1 3 384.564 3.888 20 0 GHADHO CCO[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000813881348 892063441 /nfs/dbraw/zinc/06/34/41/892063441.db2.gz OUHLYUAIFSQQTJ-QXVGPVHTSA-N 1 3 384.564 3.888 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000162498170 892605906 /nfs/dbraw/zinc/60/59/06/892605906.db2.gz QNMNWOBODQLILP-MRXNPFEDSA-N 1 3 381.520 3.708 20 0 GHADHO CCOc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000563135533 893397998 /nfs/dbraw/zinc/39/79/98/893397998.db2.gz PMZPWQGLYKQYON-KRWDZBQOSA-N 1 3 386.458 3.848 20 0 GHADHO Cc1ccc([C@H](NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2cccs2)cc1 ZINC000563153655 893412583 /nfs/dbraw/zinc/41/25/83/893412583.db2.gz CRXRMCZTAWLBDI-QTEQDKRBSA-N 1 3 397.588 3.584 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000533891571 893416832 /nfs/dbraw/zinc/41/68/32/893416832.db2.gz DAYCCDJPKJMWDF-DHIUTWEWSA-N 1 3 394.563 3.773 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000556119522 893834313 /nfs/dbraw/zinc/83/43/13/893834313.db2.gz ZDSRISPWMYJLSP-OWCLPIDISA-N 1 3 399.398 3.855 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000536857755 893948280 /nfs/dbraw/zinc/94/82/80/893948280.db2.gz LEHOJCLWBUHVFD-JOCHJYFZSA-N 1 3 397.950 3.943 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1cc2c(s1)CCC2 ZINC000536860122 893954861 /nfs/dbraw/zinc/95/48/61/893954861.db2.gz YRKSKMBVJDGBPY-QGZVFWFLSA-N 1 3 397.588 3.913 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3c2cccc3Br)C[C@H](C)O1 ZINC000537016601 894195482 /nfs/dbraw/zinc/19/54/82/894195482.db2.gz PQQXCUFXLNMQGT-KHYOSLBOSA-N 1 3 381.358 3.915 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(COC(C)C)cc3)CC2)CC1 ZINC000565183187 895447096 /nfs/dbraw/zinc/44/70/96/895447096.db2.gz VPITXMNKXATJKL-UHFFFAOYSA-N 1 3 387.568 3.746 20 0 GHADHO Cc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319513 895530336 /nfs/dbraw/zinc/53/03/36/895530336.db2.gz VFCBQBCERBLDIA-SDHSZQHLSA-N 1 3 393.575 3.793 20 0 GHADHO Cc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319513 895530345 /nfs/dbraw/zinc/53/03/45/895530345.db2.gz VFCBQBCERBLDIA-SDHSZQHLSA-N 1 3 393.575 3.793 20 0 GHADHO CN1CC[NH+](CC2CCN(Cc3ccccc3OCc3ccccc3)CC2)CC1 ZINC000565509610 895686253 /nfs/dbraw/zinc/68/62/53/895686253.db2.gz ZQAAEBIIBLUXRB-UHFFFAOYSA-N 1 3 393.575 3.725 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccccc3C)C3CC3)CC2)CC1 ZINC000565665456 895795050 /nfs/dbraw/zinc/79/50/50/895795050.db2.gz GFXQEELXBWQHJE-HSZRJFAPSA-N 1 3 383.580 3.759 20 0 GHADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@H]([NH3+])c3ccccc3)c2)CC1 ZINC000565890791 895961776 /nfs/dbraw/zinc/96/17/76/895961776.db2.gz ZQCLYDAGLIAIHC-QFIPXVFZSA-N 1 3 380.536 3.636 20 0 GHADHO Cc1ccccc1[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333093 896575211 /nfs/dbraw/zinc/57/52/11/896575211.db2.gz GDNUAECTCZBPQW-LADGPHEKSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccccc1[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333093 896575224 /nfs/dbraw/zinc/57/52/24/896575224.db2.gz GDNUAECTCZBPQW-LADGPHEKSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000819333093 896575242 /nfs/dbraw/zinc/57/52/42/896575242.db2.gz GDNUAECTCZBPQW-LADGPHEKSA-N 1 3 394.559 3.547 20 0 GHADHO O[C@H](CNCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C(F)(F)F ZINC000567679963 897334003 /nfs/dbraw/zinc/33/40/03/897334003.db2.gz LCICVIVXPKSVRS-HXUWFJFHSA-N 1 3 378.438 3.962 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000567894663 897475962 /nfs/dbraw/zinc/47/59/62/897475962.db2.gz MYFMXTLAZLHBEX-WBVHZDCISA-N 1 3 375.365 3.914 20 0 GHADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC2=NCCC2)cc1 ZINC001136376698 897523301 /nfs/dbraw/zinc/52/33/01/897523301.db2.gz JISNAYMEGYBWEF-UHFFFAOYSA-N 1 3 390.531 3.933 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000568192770 897666262 /nfs/dbraw/zinc/66/62/62/897666262.db2.gz SWTWZQHMYGGGFV-XMMPIXPASA-N 1 3 383.580 3.551 20 0 GHADHO Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2)nc1 ZINC000821098047 897741183 /nfs/dbraw/zinc/74/11/83/897741183.db2.gz OAWCOXXUMBAWGL-SFHVURJKSA-N 1 3 399.539 3.576 20 0 GHADHO Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2)nc1 ZINC000821098047 897741191 /nfs/dbraw/zinc/74/11/91/897741191.db2.gz OAWCOXXUMBAWGL-SFHVURJKSA-N 1 3 399.539 3.576 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(Br)nc1 ZINC000289579496 914248863 /nfs/dbraw/zinc/24/88/63/914248863.db2.gz DSQKOTFSKCKQCC-AWEZNQCLSA-N 1 3 378.314 3.635 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3/C=C\c3ccccc3)CC2)CC1 ZINC000569824564 898970660 /nfs/dbraw/zinc/97/06/60/898970660.db2.gz UVKREFRYTLPMAQ-AGXIJRPPSA-N 1 3 395.591 3.887 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(SC(F)F)c3)CC2)CC1 ZINC000120076362 899740323 /nfs/dbraw/zinc/74/03/23/899740323.db2.gz YVUNDRIYUDTDGH-UHFFFAOYSA-N 1 3 398.523 3.681 20 0 GHADHO COc1cc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2n1 ZINC000571431578 899863384 /nfs/dbraw/zinc/86/33/84/899863384.db2.gz UFUIJYSLOVAEND-NZQKXSOJSA-N 1 3 375.472 3.589 20 0 GHADHO Cc1ccccc1-n1cc(CNCC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000571717427 899953745 /nfs/dbraw/zinc/95/37/45/899953745.db2.gz BQWYQKJXHMPDKH-UHFFFAOYSA-N 1 3 381.549 3.639 20 0 GHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001137009123 900050155 /nfs/dbraw/zinc/05/01/55/900050155.db2.gz SIHHSGLGZOFDLE-HXUWFJFHSA-N 1 3 390.531 3.885 20 0 GHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001137009123 900050169 /nfs/dbraw/zinc/05/01/69/900050169.db2.gz SIHHSGLGZOFDLE-HXUWFJFHSA-N 1 3 390.531 3.885 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844306847 900696302 /nfs/dbraw/zinc/69/63/02/900696302.db2.gz CPSARZIFHXEOLP-WMEZAQDKSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844306847 900696312 /nfs/dbraw/zinc/69/63/12/900696312.db2.gz CPSARZIFHXEOLP-WMEZAQDKSA-N 1 3 396.453 3.877 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177032 901197357 /nfs/dbraw/zinc/19/73/57/901197357.db2.gz ILDHUQZBBAMXGK-BVYCBKJFSA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177032 901197368 /nfs/dbraw/zinc/19/73/68/901197368.db2.gz ILDHUQZBBAMXGK-BVYCBKJFSA-N 1 3 375.520 3.690 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000576610159 902129450 /nfs/dbraw/zinc/12/94/50/902129450.db2.gz GVQDHSVAWOQNSZ-UHFFFAOYSA-N 1 3 378.520 3.843 20 0 GHADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000577059838 902476192 /nfs/dbraw/zinc/47/61/92/902476192.db2.gz AVMSFSXXASWRKK-GOSISDBHSA-N 1 3 390.597 3.823 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)s1 ZINC000846100846 902713586 /nfs/dbraw/zinc/71/35/86/902713586.db2.gz UYDYFHUSQDMXHS-DYESRHJHSA-N 1 3 395.588 3.549 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)s1 ZINC000846100846 902713597 /nfs/dbraw/zinc/71/35/97/902713597.db2.gz UYDYFHUSQDMXHS-DYESRHJHSA-N 1 3 395.588 3.549 20 0 GHADHO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000133185549 903354679 /nfs/dbraw/zinc/35/46/79/903354679.db2.gz JTDNAKBREOUAQM-AUUYWEPGSA-N 1 3 384.442 3.663 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(C)(C)c3ccccc3)CC2)CC1 ZINC000578519933 903929780 /nfs/dbraw/zinc/92/97/80/903929780.db2.gz LHLGCRAIMZSTCN-IBGZPJMESA-N 1 3 385.596 3.665 20 0 GHADHO c1ccc(CN2CC[C@@H]([NH2+]CC3(N4CCCCC4)CCOCC3)CC23CC3)cc1 ZINC000578988786 904279590 /nfs/dbraw/zinc/27/95/90/904279590.db2.gz OUTXCPCZZUNBPK-HSZRJFAPSA-N 1 3 397.607 3.808 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000773014181 904374199 /nfs/dbraw/zinc/37/41/99/904374199.db2.gz ITCADQQUNMWUBG-WBAXXEDZSA-N 1 3 389.367 3.753 20 0 GHADHO COCCC1([NH3+])CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)CC1 ZINC001171597300 904859457 /nfs/dbraw/zinc/85/94/57/904859457.db2.gz RLEYPDZZGLJKQF-MSOLQXFVSA-N 1 3 397.604 3.630 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)CC1(C)C ZINC001171638355 904927833 /nfs/dbraw/zinc/92/78/33/904927833.db2.gz UJWCQOLFJKXYMQ-NZQKXSOJSA-N 1 3 387.568 3.735 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)CC1(C)C ZINC001171638355 904927840 /nfs/dbraw/zinc/92/78/40/904927840.db2.gz UJWCQOLFJKXYMQ-NZQKXSOJSA-N 1 3 387.568 3.735 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@@H]2C1 ZINC001171863280 905111665 /nfs/dbraw/zinc/11/16/65/905111665.db2.gz WPLHSVUCGOHDKK-CEXWTWQISA-N 1 3 377.573 3.582 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@@H]2C1 ZINC001171863280 905111669 /nfs/dbraw/zinc/11/16/69/905111669.db2.gz WPLHSVUCGOHDKK-CEXWTWQISA-N 1 3 377.573 3.582 20 0 GHADHO CC1(C)C[C@@H](N2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171977373 905223198 /nfs/dbraw/zinc/22/31/98/905223198.db2.gz QYLKCYAEZGTXEG-BDTNDASRSA-N 1 3 391.559 3.711 20 0 GHADHO CC1(C)C[C@@H](N2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977373 905223209 /nfs/dbraw/zinc/22/32/09/905223209.db2.gz QYLKCYAEZGTXEG-BDTNDASRSA-N 1 3 391.559 3.711 20 0 GHADHO CC1(C)C[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171980210 905231607 /nfs/dbraw/zinc/23/16/07/905231607.db2.gz PRPGGULBOFQGBW-FGZHOGPDSA-N 1 3 383.580 3.810 20 0 GHADHO CC1(C)C[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171980210 905231614 /nfs/dbraw/zinc/23/16/14/905231614.db2.gz PRPGGULBOFQGBW-FGZHOGPDSA-N 1 3 383.580 3.810 20 0 GHADHO CC1(C)C[C@H](NCCNC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171981969 905233731 /nfs/dbraw/zinc/23/37/31/905233731.db2.gz FEQYHAINRDZTQZ-OAQYLSRUSA-N 1 3 383.511 3.588 20 0 GHADHO CC1(C)C[C@H](NCCNC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171981969 905233748 /nfs/dbraw/zinc/23/37/48/905233748.db2.gz FEQYHAINRDZTQZ-OAQYLSRUSA-N 1 3 383.511 3.588 20 0 GHADHO CC1(C)C[C@@H](N2CCC(N3CCCCC3=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987806 905251060 /nfs/dbraw/zinc/25/10/60/905251060.db2.gz KATFYAVUJJIVRC-QFIPXVFZSA-N 1 3 383.580 3.907 20 0 GHADHO CC1(C)C[C@@H](N2CCC(N3CCCCC3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987806 905251067 /nfs/dbraw/zinc/25/10/67/905251067.db2.gz KATFYAVUJJIVRC-QFIPXVFZSA-N 1 3 383.580 3.907 20 0 GHADHO O=C(CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1nccs1 ZINC001172063253 905324936 /nfs/dbraw/zinc/32/49/36/905324936.db2.gz AZYPZTQLJFUNMY-LDLYASANSA-N 1 3 384.549 3.647 20 0 GHADHO O=C(CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1nccs1 ZINC001172063253 905324947 /nfs/dbraw/zinc/32/49/47/905324947.db2.gz AZYPZTQLJFUNMY-LDLYASANSA-N 1 3 384.549 3.647 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125889 905341503 /nfs/dbraw/zinc/34/15/03/905341503.db2.gz RDXVSPCVXBEDMG-FVQHAEBGSA-N 1 3 382.474 3.628 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125889 905341522 /nfs/dbraw/zinc/34/15/22/905341522.db2.gz RDXVSPCVXBEDMG-FVQHAEBGSA-N 1 3 382.474 3.628 20 0 GHADHO Cc1nc([C@H]2C[C@@H]3CCN([C@@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C[C@H]3O2)sc1C ZINC001172119145 905375867 /nfs/dbraw/zinc/37/58/67/905375867.db2.gz SUXWSSOIARIJPF-AXGBLAMUSA-N 1 3 375.582 3.927 20 0 GHADHO Cc1nc([C@H]2C[C@@H]3CCN([C@@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@H]3O2)sc1C ZINC001172119145 905375882 /nfs/dbraw/zinc/37/58/82/905375882.db2.gz SUXWSSOIARIJPF-AXGBLAMUSA-N 1 3 375.582 3.927 20 0 GHADHO COc1ccc(CN2CCCC[C@H]2C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172122461 905382800 /nfs/dbraw/zinc/38/28/00/905382800.db2.gz BJNWHMJIKVPSBE-GSPCLOLRSA-N 1 3 385.596 3.997 20 0 GHADHO COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172122461 905382827 /nfs/dbraw/zinc/38/28/27/905382827.db2.gz BJNWHMJIKVPSBE-GSPCLOLRSA-N 1 3 385.596 3.997 20 0 GHADHO CCN(C)C1CC[NH+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172536144 905639933 /nfs/dbraw/zinc/63/99/33/905639933.db2.gz LZDJDFXHTJDRJR-FUDKSRODSA-N 1 3 383.580 3.734 20 0 GHADHO CC[N@H+](C)C1CCN([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172536144 905639936 /nfs/dbraw/zinc/63/99/36/905639936.db2.gz LZDJDFXHTJDRJR-FUDKSRODSA-N 1 3 383.580 3.734 20 0 GHADHO CC[N@@H+](C)C1CCN([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172536144 905639940 /nfs/dbraw/zinc/63/99/40/905639940.db2.gz LZDJDFXHTJDRJR-FUDKSRODSA-N 1 3 383.580 3.734 20 0 GHADHO C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178444866 906344769 /nfs/dbraw/zinc/34/47/69/906344769.db2.gz ARVYQGPHDBWQSB-SFHVURJKSA-N 1 3 381.520 3.605 20 0 GHADHO C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000180422614 906765201 /nfs/dbraw/zinc/76/52/01/906765201.db2.gz KMNSGWXEPQQYLA-GOSISDBHSA-N 1 3 378.520 3.878 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c2ccccc2C1 ZINC000631664116 907796348 /nfs/dbraw/zinc/79/63/48/907796348.db2.gz LXXGGSXZSNKRND-NIDLKEISSA-N 1 3 391.559 3.838 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c2ccccc2C1 ZINC000631664116 907796355 /nfs/dbraw/zinc/79/63/55/907796355.db2.gz LXXGGSXZSNKRND-NIDLKEISSA-N 1 3 391.559 3.838 20 0 GHADHO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c2ccccc2C1 ZINC000631664116 907796361 /nfs/dbraw/zinc/79/63/61/907796361.db2.gz LXXGGSXZSNKRND-NIDLKEISSA-N 1 3 391.559 3.838 20 0 GHADHO CCCSc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)n1 ZINC000633784563 908486032 /nfs/dbraw/zinc/48/60/32/908486032.db2.gz DINBTPRTZCAHGG-UHFFFAOYSA-N 1 3 390.597 3.719 20 0 GHADHO Cc1nc(CN2CCC(C[NH2+]Cc3c[nH]c(-c4ccccc4)n3)CC2)oc1C ZINC001177663610 908687467 /nfs/dbraw/zinc/68/74/67/908687467.db2.gz FKHCXCYWTFHMNE-UHFFFAOYSA-N 1 3 379.508 3.683 20 0 GHADHO Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cnc1Cl ZINC001177749505 908734852 /nfs/dbraw/zinc/73/48/52/908734852.db2.gz XAAHZGSNGKKJRY-OAHLLOKOSA-N 1 3 376.907 3.785 20 0 GHADHO CN(Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1)C1CCCCC1 ZINC000634954969 909090129 /nfs/dbraw/zinc/09/01/29/909090129.db2.gz TZUIRXJLGYJISZ-HXUWFJFHSA-N 1 3 378.582 3.508 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001181471605 910784269 /nfs/dbraw/zinc/78/42/69/910784269.db2.gz ISBOOPAPIKTDFS-WTGUMLROSA-N 1 3 379.589 3.875 20 0 GHADHO COc1ccc([C@H](NCCOCC[NH+](C)C)c2ccc(Cl)cc2)cc1C ZINC000774379918 911686746 /nfs/dbraw/zinc/68/67/46/911686746.db2.gz HVANXMXCXLHPSH-OAQYLSRUSA-N 1 3 376.928 3.914 20 0 GHADHO Cc1cccc(N2CC[NH+](CCCCN[C@@H](C)c3cc4n(n3)CCCC4)CC2)c1 ZINC000647281659 915132874 /nfs/dbraw/zinc/13/28/74/915132874.db2.gz ABBLXRZJCRSCOX-NRFANRHFSA-N 1 3 395.595 3.781 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292351185 915631317 /nfs/dbraw/zinc/63/13/17/915631317.db2.gz YFPCEMGQHICYKL-TZIWHRDSSA-N 1 3 379.548 3.604 20 0 GHADHO CN(CCN(C)C(=O)c1ccc(C2CC[NH+](C)CC2)cc1)Cc1ccccc1 ZINC001188313198 915881143 /nfs/dbraw/zinc/88/11/43/915881143.db2.gz LHXSLSCJMGQVGJ-UHFFFAOYSA-N 1 3 379.548 3.700 20 0 GHADHO C[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000293262221 916090375 /nfs/dbraw/zinc/09/03/75/916090375.db2.gz CASLXCQNHBZPQQ-GOSISDBHSA-N 1 3 395.547 3.712 20 0 GHADHO C[N@H+](Cc1ccccc1CNC(=O)C1(N)Cc2ccccc2C1)C1CCCCC1 ZINC000649305185 916096719 /nfs/dbraw/zinc/09/67/19/916096719.db2.gz HWCYEHQLDKRTDE-UHFFFAOYSA-N 1 3 391.559 3.564 20 0 GHADHO C[N@@H+](Cc1ccccc1CNC(=O)C1(N)Cc2ccccc2C1)C1CCCCC1 ZINC000649305185 916096737 /nfs/dbraw/zinc/09/67/37/916096737.db2.gz HWCYEHQLDKRTDE-UHFFFAOYSA-N 1 3 391.559 3.564 20 0 GHADHO O=C(C(C[C@H]1CCCO1)C(F)(F)F)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000649628776 916276252 /nfs/dbraw/zinc/27/62/52/916276252.db2.gz HFHHPYBXGCNCSJ-BBWFWOEESA-N 1 3 382.426 3.745 20 0 GHADHO O=C(C(C[C@H]1CCCO1)C(F)(F)F)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000649628776 916276269 /nfs/dbraw/zinc/27/62/69/916276269.db2.gz HFHHPYBXGCNCSJ-BBWFWOEESA-N 1 3 382.426 3.745 20 0 GHADHO COC[C@]1(C)CCN(Cc2cc(C[N@@H+]3CC[C@@](C)(COC)C3)ccc2F)C1 ZINC000296803612 918766511 /nfs/dbraw/zinc/76/65/11/918766511.db2.gz RBUHXXDSLPRXHX-FGZHOGPDSA-N 1 3 378.532 3.543 20 0 GHADHO COC[C@]1(C)CCN(Cc2cc(C[N@H+]3CC[C@@](C)(COC)C3)ccc2F)C1 ZINC000296803612 918766631 /nfs/dbraw/zinc/76/66/31/918766631.db2.gz RBUHXXDSLPRXHX-FGZHOGPDSA-N 1 3 378.532 3.543 20 0 GHADHO CN(Cc1cc(C[N@H+](C)C[C@H]2CCCOC2)ccc1F)C[C@H]1CCCOC1 ZINC000297378707 919280704 /nfs/dbraw/zinc/28/07/04/919280704.db2.gz DFVYNVWSPWGCPQ-WOJBJXKFSA-N 1 3 378.532 3.543 20 0 GHADHO CN(Cc1cc(C[N@@H+](C)C[C@H]2CCCOC2)ccc1F)C[C@H]1CCCOC1 ZINC000297378707 919280729 /nfs/dbraw/zinc/28/07/29/919280729.db2.gz DFVYNVWSPWGCPQ-WOJBJXKFSA-N 1 3 378.532 3.543 20 0 GHADHO COC[C@@H]1CCCN(Cc2cc(C[N@@H+]3CCC[C@@H](COC)C3)ccc2F)C1 ZINC000297409751 919302327 /nfs/dbraw/zinc/30/23/27/919302327.db2.gz GHBLMTCWZOFFOI-WOJBJXKFSA-N 1 3 378.532 3.543 20 0 GHADHO COC[C@@H]1CCCN(Cc2cc(C[N@H+]3CCC[C@@H](COC)C3)ccc2F)C1 ZINC000297409751 919302345 /nfs/dbraw/zinc/30/23/45/919302345.db2.gz GHBLMTCWZOFFOI-WOJBJXKFSA-N 1 3 378.532 3.543 20 0 GHADHO CN1c2ccc(CN[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc2CCC1=O ZINC000800893783 920573216 /nfs/dbraw/zinc/57/32/16/920573216.db2.gz IMCAAKZOAIJVLR-QHCPKHFHSA-N 1 3 391.559 3.986 20 0 GHADHO CN1c2ccc(CN[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc2CCC1=O ZINC000800893783 920573232 /nfs/dbraw/zinc/57/32/32/920573232.db2.gz IMCAAKZOAIJVLR-QHCPKHFHSA-N 1 3 391.559 3.986 20 0 GHADHO COCc1cc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000902504629 922245599 /nfs/dbraw/zinc/24/55/99/922245599.db2.gz PDOSVAKWLXPOOT-YBVWCTEOSA-N 1 3 382.504 3.748 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000903760959 923265914 /nfs/dbraw/zinc/26/59/14/923265914.db2.gz LWGKKQPLHLELRE-NZQKXSOJSA-N 1 3 399.510 3.615 20 0 GHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CNCCC2(F)F)o1 ZINC000903955978 923435393 /nfs/dbraw/zinc/43/53/93/923435393.db2.gz DLXQSOLIFFEFEB-KRWDZBQOSA-N 1 3 386.446 3.775 20 0 GHADHO COc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1OCc1ccccc1 ZINC000903956353 923435489 /nfs/dbraw/zinc/43/54/89/923435489.db2.gz JWTIOWMVRHHDGY-SFHVURJKSA-N 1 3 376.447 3.609 20 0 GHADHO c1ccc(C[NH+]2CCC(OCCCNCc3nc4c(s3)CCC4)CC2)cc1 ZINC000678496789 924798746 /nfs/dbraw/zinc/79/87/46/924798746.db2.gz QQVXSPCMCHNZAS-UHFFFAOYSA-N 1 3 385.577 3.793 20 0 GHADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(-n3ccnn3)cc1)CC2 ZINC001137362698 925015569 /nfs/dbraw/zinc/01/55/69/925015569.db2.gz UJMNNLALMRYSPH-JOCHJYFZSA-N 1 3 391.519 3.737 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000680271014 925417602 /nfs/dbraw/zinc/41/76/02/925417602.db2.gz UFNRTEUGHCGKDM-TZRRMPRUSA-N 1 3 391.559 3.779 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000680271014 925417607 /nfs/dbraw/zinc/41/76/07/925417607.db2.gz UFNRTEUGHCGKDM-TZRRMPRUSA-N 1 3 391.559 3.779 20 0 GHADHO CN(CCNC(=O)C1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000411331367 926316072 /nfs/dbraw/zinc/31/60/72/926316072.db2.gz MMRVOQFECVXBSE-RPWUZVMVSA-N 1 3 391.559 3.503 20 0 GHADHO C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000827950871 926374238 /nfs/dbraw/zinc/37/42/38/926374238.db2.gz UNEQMEPEHVQALR-MISYRCLQSA-N 1 3 379.589 3.734 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000390726202 926396654 /nfs/dbraw/zinc/39/66/54/926396654.db2.gz DREYFWWSRNOAEI-SFTDATJTSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000390726202 926396663 /nfs/dbraw/zinc/39/66/63/926396663.db2.gz DREYFWWSRNOAEI-SFTDATJTSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390726202 926396672 /nfs/dbraw/zinc/39/66/72/926396672.db2.gz DREYFWWSRNOAEI-SFTDATJTSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000390726200 926396945 /nfs/dbraw/zinc/39/69/45/926396945.db2.gz DREYFWWSRNOAEI-RTWAWAEBSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000390726200 926396951 /nfs/dbraw/zinc/39/69/51/926396951.db2.gz DREYFWWSRNOAEI-RTWAWAEBSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390726200 926396960 /nfs/dbraw/zinc/39/69/60/926396960.db2.gz DREYFWWSRNOAEI-RTWAWAEBSA-N 1 3 387.568 3.888 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000411467872 926431924 /nfs/dbraw/zinc/43/19/24/926431924.db2.gz ZYYYWKWGJUFECG-NRFANRHFSA-N 1 3 377.960 3.761 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000470133703 930397335 /nfs/dbraw/zinc/39/73/35/930397335.db2.gz NMQWXONFMCBNAO-LVVCFHABSA-N 1 3 392.543 3.618 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000470133703 930397343 /nfs/dbraw/zinc/39/73/43/930397343.db2.gz NMQWXONFMCBNAO-LVVCFHABSA-N 1 3 392.543 3.618 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000470133703 930397354 /nfs/dbraw/zinc/39/73/54/930397354.db2.gz NMQWXONFMCBNAO-LVVCFHABSA-N 1 3 392.543 3.618 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000925037725 931621110 /nfs/dbraw/zinc/62/11/10/931621110.db2.gz QJPFAYBWEVOFAG-UHFFFAOYSA-N 1 3 388.556 3.675 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000557805403 931696412 /nfs/dbraw/zinc/69/64/12/931696412.db2.gz DLBUJFCGKPYDDY-KSSFIOAISA-N 1 3 387.337 3.815 20 0 GHADHO c1c2ccccc2oc1[C@H](NCCCCCN1CC[NH2+]CC1)c1cccnc1 ZINC000925843249 931920703 /nfs/dbraw/zinc/92/07/03/931920703.db2.gz DYMGLXHJORVZMH-HSZRJFAPSA-N 1 3 378.520 3.582 20 0 GHADHO O=C1O[C@@H](CN[C@H]2CCCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925850196 931922824 /nfs/dbraw/zinc/92/28/24/931922824.db2.gz GTGJUZMUNWEQQT-ZBFHGGJFSA-N 1 3 380.941 3.542 20 0 GHADHO NC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000560537905 933323789 /nfs/dbraw/zinc/32/37/89/933323789.db2.gz VBPKXSRGCFRDGI-KMDXXIMOSA-N 1 3 391.559 3.608 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)CC1 ZINC001116373365 933515816 /nfs/dbraw/zinc/51/58/16/933515816.db2.gz CGKBWJHNDTWRIG-ZCYQVOJMSA-N 1 3 393.575 3.692 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(Cl)n1 ZINC000828622534 935677197 /nfs/dbraw/zinc/67/71/97/935677197.db2.gz ZQSOSGYDMHPDMZ-IEBWSBKVSA-N 1 3 392.975 3.548 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001220706396 1032075046 /nfs/dbraw/zinc/07/50/46/1032075046.db2.gz IBZXHTISERWTAE-SFTDATJTSA-N 1 3 392.632 3.652 20 0 GHADHO C[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000470236057 1016754247 /nfs/dbraw/zinc/75/42/47/1016754247.db2.gz CLZXGZXDSNXSAN-GBXCKJPGSA-N 1 3 397.607 3.520 20 0 GHADHO C[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000470236057 1016754266 /nfs/dbraw/zinc/75/42/66/1016754266.db2.gz CLZXGZXDSNXSAN-GBXCKJPGSA-N 1 3 397.607 3.520 20 0 GHADHO CCN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001221069299 1032265786 /nfs/dbraw/zinc/26/57/86/1032265786.db2.gz VGVBRDIJAZGUFH-OAQYLSRUSA-N 1 3 386.584 3.557 20 0 GHADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001221445413 1032419113 /nfs/dbraw/zinc/41/91/13/1032419113.db2.gz HPKBAPNCTKUUKY-RBBKRZOGSA-N 1 3 388.600 3.519 20 0 GHADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001221445413 1032419122 /nfs/dbraw/zinc/41/91/22/1032419122.db2.gz HPKBAPNCTKUUKY-RBBKRZOGSA-N 1 3 388.600 3.519 20 0 GHADHO CCOC(=O)C1(CC)CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204271538 1032715006 /nfs/dbraw/zinc/71/50/06/1032715006.db2.gz NCRVTTFMLHAMLR-UHFFFAOYSA-N 1 3 376.541 3.572 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631924 1019634667 /nfs/dbraw/zinc/63/46/67/1019634667.db2.gz WIGKDDNEPSVTGB-JRFVFWCSSA-N 1 3 399.623 3.910 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000638271738 1021037936 /nfs/dbraw/zinc/03/79/36/1021037936.db2.gz SMAHUSVLVAGLEK-VWNXMTODSA-N 1 3 387.531 3.784 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000638271738 1021037944 /nfs/dbraw/zinc/03/79/44/1021037944.db2.gz SMAHUSVLVAGLEK-VWNXMTODSA-N 1 3 387.531 3.784 20 0 GHADHO Cc1nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(N2CCCC2)n1 ZINC001156313828 1032975476 /nfs/dbraw/zinc/97/54/76/1032975476.db2.gz CUNHQSYVRUCUTL-PWRODBHTSA-N 1 3 377.536 3.708 20 0 GHADHO Cc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(N2CCCC2)n1 ZINC001156313828 1032975481 /nfs/dbraw/zinc/97/54/81/1032975481.db2.gz CUNHQSYVRUCUTL-PWRODBHTSA-N 1 3 377.536 3.708 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000679327305 1021985988 /nfs/dbraw/zinc/98/59/88/1021985988.db2.gz HHAOPEWMOKDEAC-AKIFATBCSA-N 1 3 382.548 3.543 20 0 GHADHO CC(C)NC(=O)c1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001140619577 1022088252 /nfs/dbraw/zinc/08/82/52/1022088252.db2.gz YCNYUHBJKQLUDJ-JOCHJYFZSA-N 1 3 379.548 3.779 20 0 GHADHO CC(C)NC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001140619577 1022088270 /nfs/dbraw/zinc/08/82/70/1022088270.db2.gz YCNYUHBJKQLUDJ-JOCHJYFZSA-N 1 3 379.548 3.779 20 0 GHADHO Cc1cc(OC(F)(F)F)ccc1CN1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140962357 1023016652 /nfs/dbraw/zinc/01/66/52/1023016652.db2.gz JFGUKLCDFAOWOL-HDICACEKSA-N 1 3 391.437 3.852 20 0 GHADHO Cc1cc(OC(F)(F)F)ccc1CN1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140962357 1023016668 /nfs/dbraw/zinc/01/66/68/1023016668.db2.gz JFGUKLCDFAOWOL-HDICACEKSA-N 1 3 391.437 3.852 20 0 GHADHO Oc1cccc2ccc(CN3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001141020970 1023235185 /nfs/dbraw/zinc/23/51/85/1023235185.db2.gz HCGVKSDAZFSLED-UHFFFAOYSA-N 1 3 388.515 3.824 20 0 GHADHO Oc1cccc2ccc(CN3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001141020970 1023235201 /nfs/dbraw/zinc/23/52/01/1023235201.db2.gz HCGVKSDAZFSLED-UHFFFAOYSA-N 1 3 388.515 3.824 20 0 GHADHO CC[C@@H]1[C@@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)CC[N@@H+]1C ZINC001138145129 1024228213 /nfs/dbraw/zinc/22/82/13/1024228213.db2.gz OYXXQRBEFFHQDR-PWIZWCRZSA-N 1 3 393.522 3.727 20 0 GHADHO CC[C@@H]1[C@@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)CC[N@H+]1C ZINC001138145129 1024228226 /nfs/dbraw/zinc/22/82/26/1024228226.db2.gz OYXXQRBEFFHQDR-PWIZWCRZSA-N 1 3 393.522 3.727 20 0 GHADHO Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc(Cl)n1 ZINC000830987467 1024288546 /nfs/dbraw/zinc/28/85/46/1024288546.db2.gz DRDAUGMSTCJNLZ-IRXDYDNUSA-N 1 3 395.334 3.506 20 0 GHADHO CN1CC2(C1)CC[NH+](Cc1ccc(-c3cc(C(F)(F)F)nn3C)s1)CC2 ZINC001138275172 1024524187 /nfs/dbraw/zinc/52/41/87/1024524187.db2.gz FTTGGDGDIRZFQB-UHFFFAOYSA-N 1 3 384.471 3.695 20 0 GHADHO Cc1nccn1-c1ccc(CN2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001138545340 1024989935 /nfs/dbraw/zinc/98/99/35/1024989935.db2.gz VHKRTVKCGUOGBU-HSZRJFAPSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001138545340 1024989938 /nfs/dbraw/zinc/98/99/38/1024989938.db2.gz VHKRTVKCGUOGBU-HSZRJFAPSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)cc1 ZINC001138545340 1024989945 /nfs/dbraw/zinc/98/99/45/1024989945.db2.gz VHKRTVKCGUOGBU-HSZRJFAPSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)cc1 ZINC001138545340 1024989947 /nfs/dbraw/zinc/98/99/47/1024989947.db2.gz VHKRTVKCGUOGBU-HSZRJFAPSA-N 1 3 382.552 3.504 20 0 GHADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]1Sc1ccccc1 ZINC000838950407 1025468108 /nfs/dbraw/zinc/46/81/08/1025468108.db2.gz NJQIYWCOIHNUTO-ZHHKINOHSA-N 1 3 390.593 3.558 20 0 GHADHO CN(C)Cc1ccnc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001162057109 1025573344 /nfs/dbraw/zinc/57/33/44/1025573344.db2.gz WDUPKNQKPFRJGI-UHFFFAOYSA-N 1 3 392.469 3.702 20 0 GHADHO Fc1ccccc1[C@H](CC1CC[NH2+]CC1)Nc1cccc(N2CCOCC2)n1 ZINC001162236434 1025685811 /nfs/dbraw/zinc/68/58/11/1025685811.db2.gz ONUDDNFPPAJWAA-FQEVSTJZSA-N 1 3 384.499 3.600 20 0 GHADHO CCCn1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001139038908 1025817876 /nfs/dbraw/zinc/81/78/76/1025817876.db2.gz MRGWGLFEWVEEII-QFIPXVFZSA-N 1 3 382.552 3.549 20 0 GHADHO CCCn1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001139038908 1025817895 /nfs/dbraw/zinc/81/78/95/1025817895.db2.gz MRGWGLFEWVEEII-QFIPXVFZSA-N 1 3 382.552 3.549 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cnc(N)s4)CC3)CC2)c1 ZINC001139225838 1026079088 /nfs/dbraw/zinc/07/90/88/1026079088.db2.gz LILOYUYVNJTVQP-UHFFFAOYSA-N 1 3 386.565 3.612 20 0 GHADHO CC(C)[NH+]1CCN(Cc2ccc(N[C@H]3CNCc4ccsc43)c(F)c2)CC1 ZINC001163239924 1026101603 /nfs/dbraw/zinc/10/16/03/1026101603.db2.gz SXCRTFXQKYSXLK-FQEVSTJZSA-N 1 3 388.556 3.670 20 0 GHADHO CN(Cc1ccc(N2CCC(O)CC2)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001139288750 1026141235 /nfs/dbraw/zinc/14/12/35/1026141235.db2.gz FEZHAVLQWIALPH-UHFFFAOYSA-N 1 3 399.604 3.806 20 0 GHADHO CN1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2)CC1 ZINC001164493332 1026530738 /nfs/dbraw/zinc/53/07/38/1026530738.db2.gz RUHOCNMJYCGVOL-GVXSCFBNSA-N 1 3 390.575 3.761 20 0 GHADHO CN1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2)CC1 ZINC001164493332 1026530746 /nfs/dbraw/zinc/53/07/46/1026530746.db2.gz RUHOCNMJYCGVOL-GVXSCFBNSA-N 1 3 390.575 3.761 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cnc3cccnc3c1)CC2 ZINC001139739517 1026581296 /nfs/dbraw/zinc/58/12/96/1026581296.db2.gz SVQPFMPTIWZUSE-UHFFFAOYSA-N 1 3 387.531 3.901 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cnc3cccnc3c1)CC2 ZINC001139739517 1026581298 /nfs/dbraw/zinc/58/12/98/1026581298.db2.gz SVQPFMPTIWZUSE-UHFFFAOYSA-N 1 3 387.531 3.901 20 0 GHADHO Cn1ccc2c1ccnc2N(c1cccc(F)c1)[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001165482673 1026743498 /nfs/dbraw/zinc/74/34/98/1026743498.db2.gz VUSABWJIXZLEGO-AVRDEDQJSA-N 1 3 380.467 3.762 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(-c4ccccc4)cc3)CC[C@@H]2C1 ZINC001204135254 1027906490 /nfs/dbraw/zinc/90/64/90/1027906490.db2.gz KXONNVHFADVYPK-DNQXCXABSA-N 1 3 380.532 3.523 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(-c4ccccc4)cc3)CC[C@@H]2C1 ZINC001204135254 1027906492 /nfs/dbraw/zinc/90/64/92/1027906492.db2.gz KXONNVHFADVYPK-DNQXCXABSA-N 1 3 380.532 3.523 20 0 GHADHO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000841079254 1028101698 /nfs/dbraw/zinc/10/16/98/1028101698.db2.gz KJOBKZVCGVBNNM-QGZVFWFLSA-N 1 3 379.335 3.778 20 0 GHADHO C[NH+](C)Cc1ccc(CN[C@H](c2cccnc2)C2CC2)c2c1OC(F)(F)O2 ZINC001461411612 1069539099 /nfs/dbraw/zinc/53/90/99/1069539099.db2.gz YTLABVUQXKAAOY-KRWDZBQOSA-N 1 3 375.419 3.706 20 0 GHADHO COc1cc(C)cc(OC)c1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001143142155 1029866341 /nfs/dbraw/zinc/86/63/41/1029866341.db2.gz NUMUROQLSGRDOS-UHFFFAOYSA-N 1 3 395.547 3.895 20 0 GHADHO COc1cc(C)cc(OC)c1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001143142155 1029866342 /nfs/dbraw/zinc/86/63/42/1029866342.db2.gz NUMUROQLSGRDOS-UHFFFAOYSA-N 1 3 395.547 3.895 20 0 GHADHO c1sc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c2c1OCCO2 ZINC001143195271 1029901383 /nfs/dbraw/zinc/90/13/83/1029901383.db2.gz XXKDRKAKUINQHY-MOPGFXCFSA-N 1 3 384.545 3.863 20 0 GHADHO c1sc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c2c1OCCO2 ZINC001143195271 1029901386 /nfs/dbraw/zinc/90/13/86/1029901386.db2.gz XXKDRKAKUINQHY-MOPGFXCFSA-N 1 3 384.545 3.863 20 0 GHADHO FC(F)(F)c1cnc2[nH]cc(C[N@@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)c2c1 ZINC001222601943 1030226694 /nfs/dbraw/zinc/22/66/94/1030226694.db2.gz DUHWLCOMYBESBD-GOSISDBHSA-N 1 3 386.421 3.771 20 0 GHADHO FC(F)(F)c1cnc2[nH]cc(C[N@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)c2c1 ZINC001222601943 1030226713 /nfs/dbraw/zinc/22/67/13/1030226713.db2.gz DUHWLCOMYBESBD-GOSISDBHSA-N 1 3 386.421 3.771 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001150152573 1030430572 /nfs/dbraw/zinc/43/05/72/1030430572.db2.gz AZMHTLXXOBILIW-QDSKXPNFSA-N 1 3 391.559 3.535 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150152573 1030430578 /nfs/dbraw/zinc/43/05/78/1030430578.db2.gz AZMHTLXXOBILIW-QDSKXPNFSA-N 1 3 391.559 3.535 20 0 GHADHO Nc1ccc(-c2ccc(NC(=O)[C@H](N)C3CC[NH2+]CC3)cc2Cl)c(Cl)c1 ZINC001218862023 1031122639 /nfs/dbraw/zinc/12/26/39/1031122639.db2.gz MRUSRFQTEOMYRW-GOSISDBHSA-N 1 3 393.318 3.508 20 0 GHADHO O=C(Nc1ccc2cc[nH]c2c1)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001218940905 1031167560 /nfs/dbraw/zinc/16/75/60/1031167560.db2.gz NPJWBHTYWYSTCP-HYBUGGRVSA-N 1 3 388.515 3.608 20 0 GHADHO Cc1cccc2c1C1(C[C@H]2CC(=O)Nc2cccc3c2CNC3)CC[NH2+]CC1 ZINC001218995459 1031200412 /nfs/dbraw/zinc/20/04/12/1031200412.db2.gz WVBGFOUNRYTVQH-GOSISDBHSA-N 1 3 375.516 3.736 20 0 GHADHO O=C(C[C@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21)Nc1cccc2c1CNC2 ZINC001218994202 1031201399 /nfs/dbraw/zinc/20/13/99/1031201399.db2.gz DZMVCURTVRBNSZ-INIZCTEOSA-N 1 3 379.479 3.566 20 0 GHADHO C[C@H]1CCN(Cc2cc(OC(F)F)ccc2Br)CC[C@H]1C[NH3+] ZINC001205651279 1033511379 /nfs/dbraw/zinc/51/13/79/1033511379.db2.gz CCEAXVNFRVPNRJ-RYUDHWBXSA-N 1 3 377.273 3.857 20 0 GHADHO N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@H]1F ZINC001206197808 1033760845 /nfs/dbraw/zinc/76/08/45/1033760845.db2.gz JKXDDDUKRFPZNJ-HZPDHXFCSA-N 1 3 383.389 3.908 20 0 GHADHO N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@H]1F ZINC001206197808 1033760861 /nfs/dbraw/zinc/76/08/61/1033760861.db2.gz JKXDDDUKRFPZNJ-HZPDHXFCSA-N 1 3 383.389 3.908 20 0 GHADHO Cc1ccc(C2(Cc3nc(-c4ccc(CN(C)C)cc4)no3)CC[NH2+]CC2)cc1 ZINC001206384712 1033822332 /nfs/dbraw/zinc/82/23/32/1033822332.db2.gz MURYTEBDFLCBTR-UHFFFAOYSA-N 1 3 390.531 3.971 20 0 GHADHO [NH3+]CC1(c2ccccc2)CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC001206760310 1033974119 /nfs/dbraw/zinc/97/41/19/1033974119.db2.gz CQLYOEOECLZLMI-UHFFFAOYSA-N 1 3 399.336 3.818 20 0 GHADHO CN1CCC(N(c2nc3c(Cl)cccc3nc2Cl)C2CC[NH2+]CC2)CC1 ZINC001158589516 1034181561 /nfs/dbraw/zinc/18/15/61/1034181561.db2.gz UOJSMHLGTSDXOK-UHFFFAOYSA-N 1 3 394.350 3.589 20 0 GHADHO COc1ccccc1CC[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001207452834 1034373467 /nfs/dbraw/zinc/37/34/67/1034373467.db2.gz RENTUHSUPMYMKV-HSZRJFAPSA-N 1 3 394.559 3.993 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cc(Cl)nc(C4CC4)n3)c3ccccc23)CC1 ZINC001159460102 1034605579 /nfs/dbraw/zinc/60/55/79/1034605579.db2.gz PBVWNASHHPBBBE-UHFFFAOYSA-N 1 3 395.938 3.917 20 0 GHADHO Cc1cc(C(C)C)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159468446 1034610030 /nfs/dbraw/zinc/61/00/30/1034610030.db2.gz WHKOYCZZYZVPCL-UHFFFAOYSA-N 1 3 377.536 3.818 20 0 GHADHO Nc1ccccc1N(CC1CC[NH2+]CC1)C1=CCN(Cc2ccccc2)CC1 ZINC001159895086 1034778369 /nfs/dbraw/zinc/77/83/69/1034778369.db2.gz POCJSFSRQXWXEO-UHFFFAOYSA-N 1 3 376.548 3.865 20 0 GHADHO Cc1ccc(CN2CCOC3(CC[NH+](CC4(CN(C)C)CCCC4)CC3)C2)cc1 ZINC001208187286 1034785188 /nfs/dbraw/zinc/78/51/88/1034785188.db2.gz UFSQDDCKCABVLL-UHFFFAOYSA-N 1 3 399.623 3.784 20 0 GHADHO CN1CCN(Cc2cccc(Nc3ccc(CC4CC[NH2+]CC4)cc3)c2)CC1 ZINC001160015679 1034830104 /nfs/dbraw/zinc/83/01/04/1034830104.db2.gz ZIGICMGZFPGXAQ-UHFFFAOYSA-N 1 3 378.564 3.720 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c(F)cccc1Oc1ccccc1 ZINC001231868144 1034953705 /nfs/dbraw/zinc/95/37/05/1034953705.db2.gz VZUVHKCDJAXQHV-FCHUYYIVSA-N 1 3 383.511 3.828 20 0 GHADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c(F)cccc1Oc1ccccc1 ZINC001231868144 1034953708 /nfs/dbraw/zinc/95/37/08/1034953708.db2.gz VZUVHKCDJAXQHV-FCHUYYIVSA-N 1 3 383.511 3.828 20 0 GHADHO COc1ccc(CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC001208760324 1035005117 /nfs/dbraw/zinc/00/51/17/1035005117.db2.gz DOWNLOZPGUSNQD-XMMPIXPASA-N 1 3 380.532 3.844 20 0 GHADHO COc1ccc(CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1OC ZINC001208760324 1035005127 /nfs/dbraw/zinc/00/51/27/1035005127.db2.gz DOWNLOZPGUSNQD-XMMPIXPASA-N 1 3 380.532 3.844 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001160572728 1035006222 /nfs/dbraw/zinc/00/62/22/1035006222.db2.gz TWJMDXWOVQQHGH-KNKQGSTJSA-N 1 3 389.584 3.609 20 0 GHADHO Cc1cc(F)ncc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001231982534 1035022869 /nfs/dbraw/zinc/02/28/69/1035022869.db2.gz DYEJNDKLYWKNGX-NRFANRHFSA-N 1 3 383.511 3.785 20 0 GHADHO Cc1cc(F)ncc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001231982534 1035022876 /nfs/dbraw/zinc/02/28/76/1035022876.db2.gz DYEJNDKLYWKNGX-NRFANRHFSA-N 1 3 383.511 3.785 20 0 GHADHO CC1(C)[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H]1[NH3+] ZINC001160682120 1035034515 /nfs/dbraw/zinc/03/45/15/1035034515.db2.gz DHWJPDHFVBITPC-VJBWXMMDSA-N 1 3 391.559 3.663 20 0 GHADHO CN(Cc1cn(C)nc1C(F)(F)F)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001232091378 1035090114 /nfs/dbraw/zinc/09/01/14/1035090114.db2.gz YCZRWOARRHEPJP-UHFFFAOYSA-N 1 3 380.458 3.783 20 0 GHADHO c1ccc(CCN2CCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208937607 1035104396 /nfs/dbraw/zinc/10/43/96/1035104396.db2.gz URTZHENJEAUGGM-VWLOTQADSA-N 1 3 377.576 3.759 20 0 GHADHO c1ccc(CCN2CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208937607 1035104401 /nfs/dbraw/zinc/10/44/01/1035104401.db2.gz URTZHENJEAUGGM-VWLOTQADSA-N 1 3 377.576 3.759 20 0 GHADHO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4cc(F)cc(CN(C)C)c4)C[C@@H]3C2)cc1 ZINC001232149195 1035127373 /nfs/dbraw/zinc/12/73/73/1035127373.db2.gz WLFJSUXYHKXZBO-GOTSBHOMSA-N 1 3 381.539 3.760 20 0 GHADHO CN1CCC(N(C(=O)C[C@@H]([NH3+])Cc2ccc3ccccc3c2)C2CCCC2)CC1 ZINC001161453546 1035234373 /nfs/dbraw/zinc/23/43/73/1035234373.db2.gz IMXJNEHAIMLTCM-QFIPXVFZSA-N 1 3 393.575 3.965 20 0 GHADHO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209450683 1035277425 /nfs/dbraw/zinc/27/74/25/1035277425.db2.gz PRLXAIMENIKWHF-QHCPKHFHSA-N 1 3 395.591 3.938 20 0 GHADHO CCOC(=O)[C@H]1CCCN(C2CC[NH+](Cc3c[nH]c4c3cccc4C)CC2)C1 ZINC001209484602 1035288738 /nfs/dbraw/zinc/28/87/38/1035288738.db2.gz VNQBRSNXGFEUFO-SFHVURJKSA-N 1 3 383.536 3.716 20 0 GHADHO COc1cc(Cl)c(C[NH+]2CCC(CCCN3CCOCC3)CC2)cc1OC ZINC001461998205 1069937114 /nfs/dbraw/zinc/93/71/14/1069937114.db2.gz UXMJRIJRSUHSSQ-UHFFFAOYSA-N 1 3 396.959 3.682 20 0 GHADHO CN1CCN(c2cccc(-c3ccc4[nH]c([C@H]5[NH2+][C@@H]6CC[C@H]5C6)nc4c3)c2)CC1 ZINC001243670857 1036247527 /nfs/dbraw/zinc/24/75/27/1036247527.db2.gz BOFPIVNCUJLCCI-YYDVJCTNSA-N 1 3 387.531 3.795 20 0 GHADHO CN1CCN(c2cccc(-c3ccc4nc([C@H]5[NH2+][C@@H]6CC[C@H]5C6)[nH]c4c3)c2)CC1 ZINC001243670857 1036247546 /nfs/dbraw/zinc/24/75/46/1036247546.db2.gz BOFPIVNCUJLCCI-YYDVJCTNSA-N 1 3 387.531 3.795 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1(C)C ZINC001462148060 1070033536 /nfs/dbraw/zinc/03/35/36/1070033536.db2.gz MUXPVXJITZETJN-LPHOPBHVSA-N 1 3 383.502 3.746 20 0 GHADHO C[C@H]([NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)c1ccc(C(F)(F)F)cc1 ZINC001245981586 1037104908 /nfs/dbraw/zinc/10/49/08/1037104908.db2.gz AOXCDRRSMMAUQB-FJNPEDAXSA-N 1 3 388.380 3.565 20 0 GHADHO CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[NH+]1CCC2(CC1)CNCCO2 ZINC001246030800 1037146730 /nfs/dbraw/zinc/14/67/30/1037146730.db2.gz OZNBUBDEUHGQTB-QFIPXVFZSA-N 1 3 394.987 3.504 20 0 GHADHO Fc1cc(Br)c(F)c(CNC2CCC3(CC[NH2+]C3)CC2)c1F ZINC001246079661 1037188445 /nfs/dbraw/zinc/18/84/45/1037188445.db2.gz DVFCQOOCTQXAMX-UHFFFAOYSA-N 1 3 377.248 3.878 20 0 GHADHO Fc1cc(Br)c(F)c(CN[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c1F ZINC001246080207 1037188621 /nfs/dbraw/zinc/18/86/21/1037188621.db2.gz FVCQMDDLOKNOEF-QFYYESIMSA-N 1 3 377.248 3.878 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(N[C@H](C[NH3+])c2ccccc2)CC1 ZINC001246079340 1037189360 /nfs/dbraw/zinc/18/93/60/1037189360.db2.gz YGHFFGZBQWPOBL-SNCIUUNGSA-N 1 3 386.923 3.983 20 0 GHADHO CCOC(=O)CC1(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC001246206180 1037238703 /nfs/dbraw/zinc/23/87/03/1037238703.db2.gz XXINCAHPXZURPQ-FGZHOGPDSA-N 1 3 378.516 3.560 20 0 GHADHO C[C@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCNCC1(F)F ZINC001246218578 1037243691 /nfs/dbraw/zinc/24/36/91/1037243691.db2.gz BOSUSCPCCUIHGE-MXEMCNAFSA-N 1 3 377.523 3.797 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001246261425 1037261966 /nfs/dbraw/zinc/26/19/66/1037261966.db2.gz PRYGLMHQZHKAFP-BVSLBCMMSA-N 1 3 389.584 3.546 20 0 GHADHO Fc1ccc(C2([NH2+][C@@H]3Cc4ccc(Br)cc4C3)CCNCC2)cc1 ZINC001246335908 1037300518 /nfs/dbraw/zinc/30/05/18/1037300518.db2.gz KDTJYSWJWAANCD-LJQANCHMSA-N 1 3 389.312 3.924 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)cc1F ZINC001246353814 1037311807 /nfs/dbraw/zinc/31/18/07/1037311807.db2.gz GGDXVNXPWFDAFW-VXKWHMMOSA-N 1 3 399.529 3.882 20 0 GHADHO COc1ccc(CN2CC[C@H](N[C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360005 1037317407 /nfs/dbraw/zinc/31/74/07/1037317407.db2.gz DKNHDLLBTRXZFV-AWRGLXIESA-N 1 3 397.538 3.800 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cc(OC)ccc3F)CC2)CCN1 ZINC001246358562 1037317990 /nfs/dbraw/zinc/31/79/90/1037317990.db2.gz GNQUWJBQGCGLOH-UXHICEINSA-N 1 3 377.548 3.699 20 0 GHADHO COc1cccc(CC2([NH2+]C3CCN(c4cccc(F)c4)CC3)CCNCC2)c1 ZINC001246373966 1037330126 /nfs/dbraw/zinc/33/01/26/1037330126.db2.gz DLKBJPZZERRVMX-UHFFFAOYSA-N 1 3 397.538 3.758 20 0 GHADHO COc1ccc(CC2([NH2+][C@H]3CCc4cc(F)c(F)cc4C3)CCNCC2)cc1 ZINC001246377806 1037335056 /nfs/dbraw/zinc/33/50/56/1037335056.db2.gz MDKJKCLQQWAACM-IBGZPJMESA-N 1 3 386.486 3.785 20 0 GHADHO c1ccc(C[C@H]2C[C@@H]([NH2+]CC3(Cc4ccccc4)CCOCC3)CCN2)cc1 ZINC001246393802 1037355315 /nfs/dbraw/zinc/35/53/15/1037355315.db2.gz XQASRJDSGRFBDQ-ZEQRLZLVSA-N 1 3 378.560 3.979 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N[C@H]2CCN(Cc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246398191 1037357775 /nfs/dbraw/zinc/35/77/75/1037357775.db2.gz VDBAWZIIJMTNFT-FUDKSRODSA-N 1 3 385.502 3.930 20 0 GHADHO CCn1c2ccccc2nc1N1CCC[C@H](N[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246403910 1037361538 /nfs/dbraw/zinc/36/15/38/1037361538.db2.gz FNTCKVRQNRYDJR-LQWHRVPQSA-N 1 3 383.584 3.781 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H](NC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)C1 ZINC001246431023 1037390738 /nfs/dbraw/zinc/39/07/38/1037390738.db2.gz XRRVUKHRFGGEMH-HKUYNNGSSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246431023 1037390755 /nfs/dbraw/zinc/39/07/55/1037390755.db2.gz XRRVUKHRFGGEMH-HKUYNNGSSA-N 1 3 378.944 3.716 20 0 GHADHO CCC[C@@]1(CNC2CCC(C(=O)OC)(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246455820 1037416503 /nfs/dbraw/zinc/41/65/03/1037416503.db2.gz KLEJRYANECAIIM-CKHPTIKVSA-N 1 3 378.944 3.815 20 0 GHADHO COC(=O)CCC[N@H+](Cc1ccccc1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246569788 1037482839 /nfs/dbraw/zinc/48/28/39/1037482839.db2.gz DPJIEGZUPMCHPR-GOTSBHOMSA-N 1 3 380.532 3.805 20 0 GHADHO COC(=O)CCC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246569788 1037482848 /nfs/dbraw/zinc/48/28/48/1037482848.db2.gz DPJIEGZUPMCHPR-GOTSBHOMSA-N 1 3 380.532 3.805 20 0 GHADHO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(C1CCC3(CCOCC3)CC1)CC2 ZINC001246632181 1037517777 /nfs/dbraw/zinc/51/77/77/1037517777.db2.gz UPBAWMPWSHVBFS-UHFFFAOYSA-N 1 3 384.564 3.871 20 0 GHADHO COc1ccc2c(c1)C1(CC[NH2+]CC1)N(C1CC(C)(C)N(O)C(C)(C)C1)CC2 ZINC001246639435 1037522975 /nfs/dbraw/zinc/52/29/75/1037522975.db2.gz RDAIVKSAQGNKSY-UHFFFAOYSA-N 1 3 387.568 3.543 20 0 GHADHO C[C@@H]1C[C@@H](N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)CN1Cc1ccccc1 ZINC001246637135 1037523160 /nfs/dbraw/zinc/52/31/60/1037523160.db2.gz OQUJWCOBTMALDF-BHIYHBOVSA-N 1 3 381.486 3.798 20 0 GHADHO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246678635 1037543935 /nfs/dbraw/zinc/54/39/35/1037543935.db2.gz PAJQHRFHVATMDP-DHIUTWEWSA-N 1 3 380.532 3.805 20 0 GHADHO CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246678635 1037543937 /nfs/dbraw/zinc/54/39/37/1037543937.db2.gz PAJQHRFHVATMDP-DHIUTWEWSA-N 1 3 380.532 3.805 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246718076 1037570732 /nfs/dbraw/zinc/57/07/32/1037570732.db2.gz HRCWWLJCSWPAOR-SLSDLSHTSA-N 1 3 397.607 3.710 20 0 GHADHO c1ccc(C[C@@H]2C[C@@H]([N@@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CCN2)cc1 ZINC001246738007 1037583551 /nfs/dbraw/zinc/58/35/51/1037583551.db2.gz CQKGBBKDXLPQTG-PKTZIBPZSA-N 1 3 398.554 3.908 20 0 GHADHO c1ccc(C[C@@H]2C[C@@H]([N@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CCN2)cc1 ZINC001246738007 1037583561 /nfs/dbraw/zinc/58/35/61/1037583561.db2.gz CQKGBBKDXLPQTG-PKTZIBPZSA-N 1 3 398.554 3.908 20 0 GHADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+]([C@@H]3CCN[C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753321 1037592635 /nfs/dbraw/zinc/59/26/35/1037592635.db2.gz KMXRWFOOYYMHGF-WERVVEIQSA-N 1 3 378.564 3.825 20 0 GHADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+]([C@@H]3CCN[C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753321 1037592646 /nfs/dbraw/zinc/59/26/46/1037592646.db2.gz KMXRWFOOYYMHGF-WERVVEIQSA-N 1 3 378.564 3.825 20 0 GHADHO CC(C)CN1Cc2ccccc2CC2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1=O ZINC001246755828 1037597269 /nfs/dbraw/zinc/59/72/69/1037597269.db2.gz VMWSFLISJFLUCW-AIZNXBIQSA-N 1 3 395.591 3.593 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)CC[NH2+]1 ZINC001246772918 1037615697 /nfs/dbraw/zinc/61/56/97/1037615697.db2.gz BXFQSMHBWTXKFD-REHUZNOOSA-N 1 3 383.580 3.944 20 0 GHADHO FC(F)(F)c1cccnc1N1CCC([N@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC001246971605 1037795440 /nfs/dbraw/zinc/79/54/40/1037795440.db2.gz HRXRBNBURREOQA-HNNXBMFYSA-N 1 3 382.474 3.533 20 0 GHADHO FC(F)(F)c1cccnc1N1CCC([N@@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC001246971605 1037795442 /nfs/dbraw/zinc/79/54/42/1037795442.db2.gz HRXRBNBURREOQA-HNNXBMFYSA-N 1 3 382.474 3.533 20 0 GHADHO Brc1ccc(N2CCC([N@H+](C[C@H]3CCCNC3)C3CC3)CC2)cc1 ZINC001246974208 1037797337 /nfs/dbraw/zinc/79/73/37/1037797337.db2.gz QESGIYJGYGIUCH-INIZCTEOSA-N 1 3 392.385 3.882 20 0 GHADHO Brc1ccc(N2CCC([N@@H+](C[C@H]3CCCNC3)C3CC3)CC2)cc1 ZINC001246974208 1037797355 /nfs/dbraw/zinc/79/73/55/1037797355.db2.gz QESGIYJGYGIUCH-INIZCTEOSA-N 1 3 392.385 3.882 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246998386 1037820431 /nfs/dbraw/zinc/82/04/31/1037820431.db2.gz FTZXZRCROBFFEJ-PMACEKPBSA-N 1 3 391.987 3.835 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H](N2CC[C@H](N3CCCCC3)[C@@H](F)C2)CC[NH2+]1 ZINC001247014470 1037837434 /nfs/dbraw/zinc/83/74/34/1037837434.db2.gz DBBJABWDPIUVOA-ZDFPQIBNSA-N 1 3 377.523 3.826 20 0 GHADHO c1csc(C[NH+]2CCC3(CCN(Cc4c[nH]c5ncncc45)CC3)CC2)c1 ZINC001232654679 1038444540 /nfs/dbraw/zinc/44/45/40/1038444540.db2.gz FUVHDZMPIBPMLH-UHFFFAOYSA-N 1 3 381.549 3.849 20 0 GHADHO COCOc1cccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281193 1039053929 /nfs/dbraw/zinc/05/39/29/1039053929.db2.gz RAYFBRCTXRTMOD-NKKJXINNSA-N 1 3 395.547 3.797 20 0 GHADHO COCOc1cccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281193 1039053942 /nfs/dbraw/zinc/05/39/42/1039053942.db2.gz RAYFBRCTXRTMOD-NKKJXINNSA-N 1 3 395.547 3.797 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccc3nccn31)CC2 ZINC001233362235 1039188584 /nfs/dbraw/zinc/18/85/84/1039188584.db2.gz UEGAHXBDSWHIHU-JOCHJYFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccc3nccn31)CC2 ZINC001233362235 1039188589 /nfs/dbraw/zinc/18/85/89/1039188589.db2.gz UEGAHXBDSWHIHU-JOCHJYFZSA-N 1 3 390.531 3.590 20 0 GHADHO O[C@@]1(CN2CCC(Sc3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252931088 1039268175 /nfs/dbraw/zinc/26/81/75/1039268175.db2.gz HIRKPODMPZWESQ-HSZRJFAPSA-N 1 3 382.573 3.880 20 0 GHADHO O[C@@]1(CN2CCC(Sc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252931088 1039268184 /nfs/dbraw/zinc/26/81/84/1039268184.db2.gz HIRKPODMPZWESQ-HSZRJFAPSA-N 1 3 382.573 3.880 20 0 GHADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCCCCOc1ccc(C(F)(F)F)cc1 ZINC001253412554 1039607774 /nfs/dbraw/zinc/60/77/74/1039607774.db2.gz KJRUGTBSYUNBOB-INIZCTEOSA-N 1 3 376.463 3.593 20 0 GHADHO CC(C)(C)NC[C@@H](O)C[NH2+]CCCCCOc1ccc(C(F)(F)F)cc1 ZINC001253412554 1039607785 /nfs/dbraw/zinc/60/77/85/1039607785.db2.gz KJRUGTBSYUNBOB-INIZCTEOSA-N 1 3 376.463 3.593 20 0 GHADHO OC1(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CCN(Cc2ccccc2)CC1 ZINC001254055347 1039978727 /nfs/dbraw/zinc/97/87/27/1039978727.db2.gz OYWNIQPMEUORSU-JOCHJYFZSA-N 1 3 386.486 3.959 20 0 GHADHO COc1cc(C)c(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1OCc1ccccc1 ZINC001234498714 1040080715 /nfs/dbraw/zinc/08/07/15/1040080715.db2.gz OLNQHTUWXTZLIT-IRLDBZIGSA-N 1 3 380.532 3.966 20 0 GHADHO COc1cc(C)c(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1OCc1ccccc1 ZINC001234498714 1040080739 /nfs/dbraw/zinc/08/07/39/1040080739.db2.gz OLNQHTUWXTZLIT-IRLDBZIGSA-N 1 3 380.532 3.966 20 0 GHADHO c1ccc2c(c1)CCC([N@H+]1CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C1)CC2 ZINC001254460471 1040248726 /nfs/dbraw/zinc/24/87/26/1040248726.db2.gz JKOWRHXMCKVEIT-ILBGXUMGSA-N 1 3 391.559 3.552 20 0 GHADHO c1ccc2c(c1)CCC([N@@H+]1CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C1)CC2 ZINC001254460471 1040248741 /nfs/dbraw/zinc/24/87/41/1040248741.db2.gz JKOWRHXMCKVEIT-ILBGXUMGSA-N 1 3 391.559 3.552 20 0 GHADHO C[N@@H+]1CCC[C@@H](N2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518719 1040293348 /nfs/dbraw/zinc/29/33/48/1040293348.db2.gz DKPTUPGFGVYFMA-RTWAWAEBSA-N 1 3 399.579 3.807 20 0 GHADHO C[N@H+]1CCC[C@@H](N2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518719 1040293358 /nfs/dbraw/zinc/29/33/58/1040293358.db2.gz DKPTUPGFGVYFMA-RTWAWAEBSA-N 1 3 399.579 3.807 20 0 GHADHO COC(=O)c1ccc(COc2ccccc2CN2CCC3(C[NH+](C)C3)CC2)cc1 ZINC001234805943 1040337501 /nfs/dbraw/zinc/33/75/01/1040337501.db2.gz ILUJLMHVDKXRGO-UHFFFAOYSA-N 1 3 394.515 3.580 20 0 GHADHO c1ccc2c(c1)CCN(C1CC[NH+](Cc3cccc(N4CCOCC4)c3)CC1)C2 ZINC001235083873 1040568588 /nfs/dbraw/zinc/56/85/88/1040568588.db2.gz PWGGRCBNGMLDAO-UHFFFAOYSA-N 1 3 391.559 3.546 20 0 GHADHO Brc1cc(CN2CCC3(CC[NH2+]CC3)CC2)ccc1-n1ccnc1 ZINC001235132978 1040627690 /nfs/dbraw/zinc/62/76/90/1040627690.db2.gz LSOVAQVBDHCGNV-UHFFFAOYSA-N 1 3 389.341 3.600 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cccc(-c4ccc(C)cc4)c3)CC[C@@H]2C1 ZINC001235310150 1040783735 /nfs/dbraw/zinc/78/37/35/1040783735.db2.gz FQEQKORCVXKVMN-JWQCQUIFSA-N 1 3 394.559 3.831 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cccc(-c4ccc(C)cc4)c3)CC[C@@H]2C1 ZINC001235310150 1040783753 /nfs/dbraw/zinc/78/37/53/1040783753.db2.gz FQEQKORCVXKVMN-JWQCQUIFSA-N 1 3 394.559 3.831 20 0 GHADHO O=C(C1CCC1)N1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001255144098 1040854448 /nfs/dbraw/zinc/85/44/48/1040854448.db2.gz LXVRWQZDXSAOBE-NUNAXRQHSA-N 1 3 381.564 3.516 20 0 GHADHO O=C(C1CCC1)N1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001255144098 1040854463 /nfs/dbraw/zinc/85/44/63/1040854463.db2.gz LXVRWQZDXSAOBE-NUNAXRQHSA-N 1 3 381.564 3.516 20 0 GHADHO Cc1cnc(OC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)nc1 ZINC001255149113 1040863652 /nfs/dbraw/zinc/86/36/52/1040863652.db2.gz FILDKURHFGJXKG-ZBYYUNFXSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1OCc1ccccc1 ZINC001235371260 1040875497 /nfs/dbraw/zinc/87/54/97/1040875497.db2.gz YIGVSMBDRYZPQG-WMTXJRDZSA-N 1 3 378.516 3.527 20 0 GHADHO Cn1ccc(-c2ccc(CN3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)cc2)n1 ZINC001235387838 1040906679 /nfs/dbraw/zinc/90/66/79/1040906679.db2.gz XSMZSUOBICJRMH-ZCYQVOJMSA-N 1 3 386.543 3.840 20 0 GHADHO COc1ccccc1N(C)c1ccc(CN2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)cc1 ZINC001235398405 1040912610 /nfs/dbraw/zinc/91/26/10/1040912610.db2.gz VNRZSDSQWQQENY-ICSRJNTNSA-N 1 3 383.511 3.972 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001255349565 1040955624 /nfs/dbraw/zinc/95/56/24/1040955624.db2.gz NMIIKCDWKGZQQU-UYAOXDASSA-N 1 3 376.516 3.749 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)CC1)CCO2 ZINC001255396904 1040983728 /nfs/dbraw/zinc/98/37/28/1040983728.db2.gz LRZHANCUVBWWCE-IFMALSPDSA-N 1 3 394.515 3.941 20 0 GHADHO O=C(c1ccccc1)N1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255407584 1040994880 /nfs/dbraw/zinc/99/48/80/1040994880.db2.gz BOMXARAYOSKBNF-XMMPIXPASA-N 1 3 391.559 3.889 20 0 GHADHO O=C(c1ccccc1)N1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255407584 1040994885 /nfs/dbraw/zinc/99/48/85/1040994885.db2.gz BOMXARAYOSKBNF-XMMPIXPASA-N 1 3 391.559 3.889 20 0 GHADHO FC(F)(F)c1nn([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1CCNC2 ZINC001255408774 1040995611 /nfs/dbraw/zinc/99/56/11/1040995611.db2.gz PZJORJIXJGHANT-MRXNPFEDSA-N 1 3 378.442 3.775 20 0 GHADHO FC(F)(F)c1nn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CCNC2 ZINC001255408774 1040995619 /nfs/dbraw/zinc/99/56/19/1040995619.db2.gz PZJORJIXJGHANT-MRXNPFEDSA-N 1 3 378.442 3.775 20 0 GHADHO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410320 1040999226 /nfs/dbraw/zinc/99/92/26/1040999226.db2.gz UKOCUZICNBWWKX-FYYLOGMGSA-N 1 3 378.516 3.814 20 0 GHADHO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410320 1040999227 /nfs/dbraw/zinc/99/92/27/1040999227.db2.gz UKOCUZICNBWWKX-FYYLOGMGSA-N 1 3 378.516 3.814 20 0 GHADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccccc3-c3ccncc3)C2)C1 ZINC001235618922 1041039108 /nfs/dbraw/zinc/03/91/08/1041039108.db2.gz FQOWXWWRKBNWMY-ILBGXUMGSA-N 1 3 391.559 3.929 20 0 GHADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccccc3-c3ccncc3)C2)C1 ZINC001235618922 1041039145 /nfs/dbraw/zinc/03/91/45/1041039145.db2.gz FQOWXWWRKBNWMY-ILBGXUMGSA-N 1 3 391.559 3.929 20 0 GHADHO c1c(CN2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)sc2c1C[NH2+]CC2 ZINC001235630011 1041061754 /nfs/dbraw/zinc/06/17/54/1041061754.db2.gz BBHKYNGJFCILDF-SIKLNZKXSA-N 1 3 390.593 3.724 20 0 GHADHO CC[NH+](CC)CC[C@H](C)NC[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001255940526 1041428379 /nfs/dbraw/zinc/42/83/79/1041428379.db2.gz CXIBBNQIDWLKNN-OALUTQOASA-N 1 3 397.604 3.645 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001255940526 1041428390 /nfs/dbraw/zinc/42/83/90/1041428390.db2.gz CXIBBNQIDWLKNN-OALUTQOASA-N 1 3 397.604 3.645 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](N2Cc3ccc(F)cc3C2=O)CC1 ZINC001255952930 1041433618 /nfs/dbraw/zinc/43/36/18/1041433618.db2.gz PEANCQYLTHYXDZ-NSISKUIASA-N 1 3 375.532 3.803 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N1C[C@H]2Cc3c(c(-c4cccc(OC)c4)nn3C)[C@H]2C1 ZINC001255958593 1041436604 /nfs/dbraw/zinc/43/66/04/1041436604.db2.gz DQAFTZJGKMBSEP-DSKINZAPSA-N 1 3 396.579 3.788 20 0 GHADHO c1cc2c(cccc2N2CCN(Cc3cccc(N4CC[NH2+]CC4)c3)CC2)s1 ZINC001236182033 1041602059 /nfs/dbraw/zinc/60/20/59/1041602059.db2.gz MUPYGXHMPLKWQS-UHFFFAOYSA-N 1 3 392.572 3.633 20 0 GHADHO Fc1cc(-c2ccc(OCC3CC[NH2+]CC3)nn2)ccc1CN1CCCCC1 ZINC001236244830 1041640958 /nfs/dbraw/zinc/64/09/58/1041640958.db2.gz NRJTZWPTFPAOKQ-UHFFFAOYSA-N 1 3 384.499 3.647 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296714 1041690045 /nfs/dbraw/zinc/69/00/45/1041690045.db2.gz RESKYVWTQZLYIZ-SFTDATJTSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296714 1041690052 /nfs/dbraw/zinc/69/00/52/1041690052.db2.gz RESKYVWTQZLYIZ-SFTDATJTSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296714 1041690055 /nfs/dbraw/zinc/69/00/55/1041690055.db2.gz RESKYVWTQZLYIZ-SFTDATJTSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296714 1041690059 /nfs/dbraw/zinc/69/00/59/1041690059.db2.gz RESKYVWTQZLYIZ-SFTDATJTSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296712 1041690347 /nfs/dbraw/zinc/69/03/47/1041690347.db2.gz RESKYVWTQZLYIZ-NHCUHLMSSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296712 1041690352 /nfs/dbraw/zinc/69/03/52/1041690352.db2.gz RESKYVWTQZLYIZ-NHCUHLMSSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296712 1041690356 /nfs/dbraw/zinc/69/03/56/1041690356.db2.gz RESKYVWTQZLYIZ-NHCUHLMSSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296712 1041690360 /nfs/dbraw/zinc/69/03/60/1041690360.db2.gz RESKYVWTQZLYIZ-NHCUHLMSSA-N 1 3 399.579 3.840 20 0 GHADHO COC(=O)c1ccc(CN(Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1F ZINC001236385139 1041693552 /nfs/dbraw/zinc/69/35/52/1041693552.db2.gz PBMLPNFZARGBEM-UHFFFAOYSA-N 1 3 388.458 3.753 20 0 GHADHO CC(C)c1cc(Br)cc(CN2CC[C@@H](N3CCC([NH3+])CC3)C2)c1 ZINC001236624318 1041789681 /nfs/dbraw/zinc/78/96/81/1041789681.db2.gz YDFXILHBQZLGOP-LJQANCHMSA-N 1 3 380.374 3.570 20 0 GHADHO CCOc1cncc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001236837741 1041923455 /nfs/dbraw/zinc/92/34/55/1041923455.db2.gz JGZIBTIRQUTKNZ-UHFFFAOYSA-N 1 3 380.536 3.752 20 0 GHADHO CCOc1cncc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001236837741 1041923457 /nfs/dbraw/zinc/92/34/57/1041923457.db2.gz JGZIBTIRQUTKNZ-UHFFFAOYSA-N 1 3 380.536 3.752 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccc(-n4cncn4)c3)C[C@@H]21 ZINC001236885905 1041939684 /nfs/dbraw/zinc/93/96/84/1041939684.db2.gz UPBYKUAJZGJNLC-HJOGWXRNSA-N 1 3 387.531 3.878 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(-n4cncn4)c3)C[C@@H]21 ZINC001236885905 1041939686 /nfs/dbraw/zinc/93/96/86/1041939686.db2.gz UPBYKUAJZGJNLC-HJOGWXRNSA-N 1 3 387.531 3.878 20 0 GHADHO Cc1cccc(-c2ccc(C[NH+]3CCC(N4CCN(C)CC4)CC3)cn2)c1C ZINC001236993643 1041982119 /nfs/dbraw/zinc/98/21/19/1041982119.db2.gz OCAQXZLDIAHPQU-UHFFFAOYSA-N 1 3 378.564 3.577 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)nc3)CC2)CC1 ZINC001237008399 1041988646 /nfs/dbraw/zinc/98/86/46/1041988646.db2.gz FUMHAFQFBBHBNM-UHFFFAOYSA-N 1 3 384.955 3.614 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)nc1 ZINC001240397548 1042925977 /nfs/dbraw/zinc/92/59/77/1042925977.db2.gz FCPCGBKCWZZXBM-HXUWFJFHSA-N 1 3 378.564 3.870 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)nc1 ZINC001240397548 1042925981 /nfs/dbraw/zinc/92/59/81/1042925981.db2.gz FCPCGBKCWZZXBM-HXUWFJFHSA-N 1 3 378.564 3.870 20 0 GHADHO [NH3+]C1CCN(Cc2ccccc2-c2ccc(C3(N4CCOCC4)CC3)cc2)CC1 ZINC001240867486 1042961173 /nfs/dbraw/zinc/96/11/73/1042961173.db2.gz WAQFICZMKNHTKO-UHFFFAOYSA-N 1 3 391.559 3.598 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC(N)(c3ccccc3C(F)(F)F)CC2)C1 ZINC001257037594 1043813992 /nfs/dbraw/zinc/81/39/92/1043813992.db2.gz CDFPOZYDQSRVBK-GJZGRUSLSA-N 1 3 384.442 3.687 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH2+]C3CCN(C(C)C)CC3)C(C)C)ccc12 ZINC001257213829 1043939082 /nfs/dbraw/zinc/93/90/82/1043939082.db2.gz RRCTUFSBTDCERA-QFIPXVFZSA-N 1 3 399.535 3.527 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001258010449 1044336707 /nfs/dbraw/zinc/33/67/07/1044336707.db2.gz APNOCQPSYNGWEJ-JOCHJYFZSA-N 1 3 379.589 3.830 20 0 GHADHO CC(C)CN1CCC([N@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001258010449 1044336720 /nfs/dbraw/zinc/33/67/20/1044336720.db2.gz APNOCQPSYNGWEJ-JOCHJYFZSA-N 1 3 379.589 3.830 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)CC1 ZINC001258013265 1044340044 /nfs/dbraw/zinc/34/00/44/1044340044.db2.gz NLWKGFVFHSBWSW-JOCHJYFZSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)CN1CCC([N@H+]2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)CC1 ZINC001258013265 1044340059 /nfs/dbraw/zinc/34/00/59/1044340059.db2.gz NLWKGFVFHSBWSW-JOCHJYFZSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)CN1CCC([N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014228 1044341105 /nfs/dbraw/zinc/34/11/05/1044341105.db2.gz GEFXCGHOPPZAMX-ZTCOLXNVSA-N 1 3 384.612 3.734 20 0 GHADHO CC(C)CN1CCC([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014228 1044341116 /nfs/dbraw/zinc/34/11/16/1044341116.db2.gz GEFXCGHOPPZAMX-ZTCOLXNVSA-N 1 3 384.612 3.734 20 0 GHADHO O=C1CC[C@@H](N2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001258582198 1044656772 /nfs/dbraw/zinc/65/67/72/1044656772.db2.gz AITNRVWQXWPNTL-HSZRJFAPSA-N 1 3 395.591 3.908 20 0 GHADHO O=C1CC[C@@H](N2CCC3(CCC[N@H+]3CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001258582198 1044656783 /nfs/dbraw/zinc/65/67/83/1044656783.db2.gz AITNRVWQXWPNTL-HSZRJFAPSA-N 1 3 395.591 3.908 20 0 GHADHO C[C@@H](Cc1cccnc1)[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001258624140 1044673180 /nfs/dbraw/zinc/67/31/80/1044673180.db2.gz DXPWKOXFNMLTAI-REWPJTCUSA-N 1 3 379.548 3.768 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001301866180 1046734437 /nfs/dbraw/zinc/73/44/37/1046734437.db2.gz AFIWGCOUKCMDNH-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO CN(C)c1ccnc(Cl)c1CN1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279530777 1047834208 /nfs/dbraw/zinc/83/42/08/1047834208.db2.gz RDHDWAATPDGBSO-CALCHBBNSA-N 1 3 376.976 3.887 20 0 GHADHO CN(C)c1ccnc(Cl)c1CN1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279530777 1047834217 /nfs/dbraw/zinc/83/42/17/1047834217.db2.gz RDHDWAATPDGBSO-CALCHBBNSA-N 1 3 376.976 3.887 20 0 GHADHO CCCCCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305106180 1047905888 /nfs/dbraw/zinc/90/58/88/1047905888.db2.gz FDQLZVAVWKRWBS-XPWALMASSA-N 1 3 385.596 3.915 20 0 GHADHO CCCCCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305106180 1047905894 /nfs/dbraw/zinc/90/58/94/1047905894.db2.gz FDQLZVAVWKRWBS-XPWALMASSA-N 1 3 385.596 3.915 20 0 GHADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cc(F)cc(Br)c3)(C1)CCC2 ZINC001279684990 1047914975 /nfs/dbraw/zinc/91/49/75/1047914975.db2.gz QHKWUSPPRGACHD-RBUKOAKNSA-N 1 3 398.364 3.674 20 0 GHADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3csc(C(F)(F)F)c3)(C1)CCC2 ZINC001279711514 1047930010 /nfs/dbraw/zinc/93/00/10/1047930010.db2.gz NIMUBVWLGPKDPH-SJORKVTESA-N 1 3 392.487 3.912 20 0 GHADHO CC[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001305517451 1048102695 /nfs/dbraw/zinc/10/26/95/1048102695.db2.gz GIJOACKQUWZBCL-GOSISDBHSA-N 1 3 390.620 3.587 20 0 GHADHO CCSCCN1CCC[C@]2(CC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175270 1048115903 /nfs/dbraw/zinc/11/59/03/1048115903.db2.gz KXTVKSWVCHRNFV-NRFANRHFSA-N 1 3 375.582 3.686 20 0 GHADHO CCSCCN1CCC[C@]2(CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175270 1048115905 /nfs/dbraw/zinc/11/59/05/1048115905.db2.gz KXTVKSWVCHRNFV-NRFANRHFSA-N 1 3 375.582 3.686 20 0 GHADHO Cc1ncsc1CN1CCC[C@]2(CCC[N@H+](CCN3CCCCC3)C2)C1 ZINC001280262161 1048150735 /nfs/dbraw/zinc/15/07/35/1048150735.db2.gz LRDYZFORZMICLD-NRFANRHFSA-N 1 3 376.614 3.615 20 0 GHADHO Cc1ncsc1CN1CCC[C@]2(CCC[N@@H+](CCN3CCCCC3)C2)C1 ZINC001280262161 1048150741 /nfs/dbraw/zinc/15/07/41/1048150741.db2.gz LRDYZFORZMICLD-NRFANRHFSA-N 1 3 376.614 3.615 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(F)c2OC(F)(F)F)C[C@@H](C)O1 ZINC001308281228 1049935496 /nfs/dbraw/zinc/93/54/96/1049935496.db2.gz MNUYSADXSQRVJD-ZIAGYGMSSA-N 1 3 378.410 3.703 20 0 GHADHO CC(C)(C)[C@]1(CN2CCC(N3CCOC3=O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001308876769 1050135003 /nfs/dbraw/zinc/13/50/03/1050135003.db2.gz GYBGIGMQTFVCGY-DEOSSOPVSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)[C@]1(CN2CCC(N3CCOC3=O)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001308876769 1050135006 /nfs/dbraw/zinc/13/50/06/1050135006.db2.gz GYBGIGMQTFVCGY-DEOSSOPVSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)[C@]1(C[NH+]2CCC(N3CCOC3=O)CC2)CCN(Cc2ccccc2)C1 ZINC001308876769 1050135014 /nfs/dbraw/zinc/13/50/14/1050135014.db2.gz GYBGIGMQTFVCGY-DEOSSOPVSA-N 1 3 399.579 3.841 20 0 GHADHO COCc1ccccc1/C=C(/C)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001327777111 1050275796 /nfs/dbraw/zinc/27/57/96/1050275796.db2.gz JSUVQHUBHPZZCY-QNGOZBTKSA-N 1 3 393.575 3.774 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(CCc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001331539748 1051318652 /nfs/dbraw/zinc/31/86/52/1051318652.db2.gz PEEPNXSFVKOBEN-UHFFFAOYSA-N 1 3 399.501 3.620 20 0 GHADHO CCN1CCC([N@H+]2CCCN(CCc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001331539748 1051318661 /nfs/dbraw/zinc/31/86/61/1051318661.db2.gz PEEPNXSFVKOBEN-UHFFFAOYSA-N 1 3 399.501 3.620 20 0 GHADHO Cn1ncc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cnc21 ZINC001331955645 1051422827 /nfs/dbraw/zinc/42/28/27/1051422827.db2.gz ZQBVBAQBJGIJNM-FRIKZZABSA-N 1 3 375.520 3.644 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3nc4cc(Br)ccc4o3)C[C@H]2C1 ZINC001334356588 1051933503 /nfs/dbraw/zinc/93/35/03/1051933503.db2.gz NYUJWPQWANIBLV-GZBFAFLISA-N 1 3 378.314 3.752 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001311565940 1052248724 /nfs/dbraw/zinc/24/87/24/1052248724.db2.gz HEQBCJQBLDDRJL-IBGZPJMESA-N 1 3 392.613 3.575 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001311748200 1052371150 /nfs/dbraw/zinc/37/11/50/1052371150.db2.gz ZQFBHRBTAHZHIS-LADGPHEKSA-N 1 3 394.563 3.562 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001311748200 1052371159 /nfs/dbraw/zinc/37/11/59/1052371159.db2.gz ZQFBHRBTAHZHIS-LADGPHEKSA-N 1 3 394.563 3.562 20 0 GHADHO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C2CCCC2)CC1 ZINC001313090100 1052954483 /nfs/dbraw/zinc/95/44/83/1052954483.db2.gz LTQNJPQZKLDLBI-UHFFFAOYSA-N 1 3 398.595 3.559 20 0 GHADHO CCN1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313872573 1053263963 /nfs/dbraw/zinc/26/39/63/1053263963.db2.gz WZTDDPXBRUHCHW-GUDVDZBRSA-N 1 3 392.636 3.516 20 0 GHADHO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001319393528 1055225026 /nfs/dbraw/zinc/22/50/26/1055225026.db2.gz LWPOYQJFYNIXJS-UUOWRZLLSA-N 1 3 381.539 3.986 20 0 GHADHO CC(C)(C)OC(=O)Nc1cccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC001200623099 1056513268 /nfs/dbraw/zinc/51/32/68/1056513268.db2.gz VPZIACHOPLRZJB-SFHVURJKSA-N 1 3 389.540 3.624 20 0 GHADHO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000849053692 1057562697 /nfs/dbraw/zinc/56/26/97/1057562697.db2.gz LAFJIUPEHYHVHX-UHFFFAOYSA-N 1 3 390.453 3.984 20 0 GHADHO CC(C)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000849068513 1057579600 /nfs/dbraw/zinc/57/96/00/1057579600.db2.gz MTVOAMKZAJZUDO-UHFFFAOYSA-N 1 3 382.527 3.882 20 0 GHADHO Cc1ccccc1O[C@H](C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849093478 1057592195 /nfs/dbraw/zinc/59/21/95/1057592195.db2.gz UDJSQWCOVDDCHD-LJQANCHMSA-N 1 3 380.536 3.541 20 0 GHADHO C[S@@](=O)c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1 ZINC001327211099 1057622202 /nfs/dbraw/zinc/62/22/02/1057622202.db2.gz VHZAUXYBVAMZSD-JIPXPUAJSA-N 1 3 382.573 3.816 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccsc1 ZINC001441312224 1058747881 /nfs/dbraw/zinc/74/78/81/1058747881.db2.gz JMHCDBBFYHJGDS-HKBOAZHASA-N 1 3 385.577 3.593 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccsc1 ZINC001441312224 1058747899 /nfs/dbraw/zinc/74/78/99/1058747899.db2.gz JMHCDBBFYHJGDS-HKBOAZHASA-N 1 3 385.577 3.593 20 0 GHADHO CC[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)Oc1cccc(F)c1 ZINC000849107543 1067731898 /nfs/dbraw/zinc/73/18/98/1067731898.db2.gz YVMLHTONGKHEND-OAQYLSRUSA-N 1 3 398.526 3.762 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)c2cccc(CN(C)C)c2)[NH+](C)C)cc1 ZINC001468702947 1067838314 /nfs/dbraw/zinc/83/83/14/1067838314.db2.gz ZUNFIVNBSYPPNC-QHCPKHFHSA-N 1 3 381.564 3.979 20 0 GHADHO CC(C)N(C)C(=O)[C@@H](C)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460549453 1068993074 /nfs/dbraw/zinc/99/30/74/1068993074.db2.gz WBWHRYIYKQXFIO-KNQAVFIVSA-N 1 3 385.596 3.864 20 0 GHADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001478599451 1078930290 /nfs/dbraw/zinc/93/02/90/1078930290.db2.gz JYVKVIDDUHZJAP-DENIHFKCSA-N 1 3 388.600 3.687 20 0 GHADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001478599452 1078930354 /nfs/dbraw/zinc/93/03/54/1078930354.db2.gz JYVKVIDDUHZJAP-KNQAVFIVSA-N 1 3 388.600 3.687 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001470777203 1072733952 /nfs/dbraw/zinc/73/39/52/1072733952.db2.gz KFEUZPZTVWGKLT-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)N(C)C)cc1 ZINC001478768788 1078981196 /nfs/dbraw/zinc/98/11/96/1078981196.db2.gz DYEHJFWZISLZOF-NRFANRHFSA-N 1 3 388.600 3.614 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)N(C)C)cc1 ZINC001478768788 1078981198 /nfs/dbraw/zinc/98/11/98/1078981198.db2.gz DYEHJFWZISLZOF-NRFANRHFSA-N 1 3 388.600 3.614 20 0 GHADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001471105447 1072924229 /nfs/dbraw/zinc/92/42/29/1072924229.db2.gz NZVLUCGYWIPIMM-JOCHJYFZSA-N 1 3 386.584 3.559 20 0 GHADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC001479135458 1079117033 /nfs/dbraw/zinc/11/70/33/1079117033.db2.gz FPTJCVGXQDERBE-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC001479135458 1079117037 /nfs/dbraw/zinc/11/70/37/1079117037.db2.gz FPTJCVGXQDERBE-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO CN(CCNC(=O)C1CC[NH+]([C@H]2CCc3ccccc32)CC1)Cc1ccccc1 ZINC001473198388 1073850661 /nfs/dbraw/zinc/85/06/61/1073850661.db2.gz LUGBKSOGHOPCNI-DEOSSOPVSA-N 1 3 391.559 3.634 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](CN1CCC[C@H](n2ccnn2)C1)c1ccccc1 ZINC001473569397 1074021082 /nfs/dbraw/zinc/02/10/82/1074021082.db2.gz LRDPKPSMULVUBC-RPWUZVMVSA-N 1 3 389.547 3.831 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](CN1CCC[C@H](n2ccnn2)C1)c1ccccc1 ZINC001473569397 1074021089 /nfs/dbraw/zinc/02/10/89/1074021089.db2.gz LRDPKPSMULVUBC-RPWUZVMVSA-N 1 3 389.547 3.831 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669909 1074076644 /nfs/dbraw/zinc/07/66/44/1074076644.db2.gz DRIHMWGZSBVGKD-LEWJYISDSA-N 1 3 375.557 3.723 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669909 1074076655 /nfs/dbraw/zinc/07/66/55/1074076655.db2.gz DRIHMWGZSBVGKD-LEWJYISDSA-N 1 3 375.557 3.723 20 0 GHADHO Cc1c(Cl)ccc(CNCc2ccc(N3CC[NH+](C)CC3)nc2)c1Cl ZINC001473924047 1074205663 /nfs/dbraw/zinc/20/56/63/1074205663.db2.gz JLWKPTDUMUAMNA-UHFFFAOYSA-N 1 3 379.335 3.738 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3nccc4c3CCCC4)CC2)cc1 ZINC001473939214 1074212068 /nfs/dbraw/zinc/21/20/68/1074212068.db2.gz PZLOYHBEYKIWSL-UHFFFAOYSA-N 1 3 392.591 3.648 20 0 GHADHO CSc1cc(Br)ccc1C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC001474067861 1074252374 /nfs/dbraw/zinc/25/23/74/1074252374.db2.gz HUHJHSPOGZQDEC-DLBZAZTESA-N 1 3 399.398 3.638 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820649476 606211664 /nfs/dbraw/zinc/21/16/64/606211664.db2.gz MBKSJMLIZNCBPI-IYBDPMFKSA-N 1 3 396.564 3.696 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820649476 606211665 /nfs/dbraw/zinc/21/16/65/606211665.db2.gz MBKSJMLIZNCBPI-IYBDPMFKSA-N 1 3 396.564 3.696 20 0 GHADHO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000647552349 837521625 /nfs/dbraw/zinc/52/16/25/837521625.db2.gz TYYZEHXWEDZANQ-IAGOWNOFSA-N 1 3 394.519 3.772 20 0 GHADHO CC1CCN([C@@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c2ccccc2)CC1 ZINC000655697029 837688369 /nfs/dbraw/zinc/68/83/69/837688369.db2.gz GXLKAECTRQYHOE-RPWUZVMVSA-N 1 3 385.596 3.693 20 0 GHADHO c1ccc(CN2CCCC[C@@H](C[NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000583470230 834427861 /nfs/dbraw/zinc/42/78/61/834427861.db2.gz BSIYECOCWKNCFA-DEOSSOPVSA-N 1 3 392.591 3.938 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000583572469 834665973 /nfs/dbraw/zinc/66/59/73/834665973.db2.gz JYQMYUZZRZDTBR-OALUTQOASA-N 1 3 389.543 3.785 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1OC ZINC000650722745 834691677 /nfs/dbraw/zinc/69/16/77/834691677.db2.gz ALKNTWQXWQIBQF-XFIJJGBISA-N 1 3 376.541 3.733 20 0 GHADHO C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511255462 834716582 /nfs/dbraw/zinc/71/65/82/834716582.db2.gz YJLHQGDHZBAKMU-FPOVZHCZSA-N 1 3 390.616 3.547 20 0 GHADHO C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511255462 834716587 /nfs/dbraw/zinc/71/65/87/834716587.db2.gz YJLHQGDHZBAKMU-FPOVZHCZSA-N 1 3 390.616 3.547 20 0 GHADHO OC1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCN(Cc2ccccc2)CC1 ZINC000397575079 835055085 /nfs/dbraw/zinc/05/50/85/835055085.db2.gz BPDFKILGTSZVDW-FQEVSTJZSA-N 1 3 386.536 3.979 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3csc(-c4ccccc4)n3)CC2)CC1 ZINC000655075983 835084582 /nfs/dbraw/zinc/08/45/82/835084582.db2.gz BMGQITMVGKBRQK-UHFFFAOYSA-N 1 3 398.576 3.945 20 0 GHADHO C[N@@H+]1CCC[C@@H](CN2CCC(c3nc4ccc(-c5ccsc5)cn4n3)CC2)C1 ZINC001208606357 835207704 /nfs/dbraw/zinc/20/77/04/835207704.db2.gz FCOSRNPBXBFSCO-QGZVFWFLSA-N 1 3 395.576 3.979 20 0 GHADHO C[N@H+]1CCC[C@@H](CN2CCC(c3nc4ccc(-c5ccsc5)cn4n3)CC2)C1 ZINC001208606357 835207707 /nfs/dbraw/zinc/20/77/07/835207707.db2.gz FCOSRNPBXBFSCO-QGZVFWFLSA-N 1 3 395.576 3.979 20 0 GHADHO COc1cc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1SC ZINC000658135643 835443948 /nfs/dbraw/zinc/44/39/48/835443948.db2.gz AEPRCMNDUZUGMN-OXQOHEQNSA-N 1 3 386.561 3.835 20 0 GHADHO COc1cc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1SC ZINC000658135643 835443950 /nfs/dbraw/zinc/44/39/50/835443950.db2.gz AEPRCMNDUZUGMN-OXQOHEQNSA-N 1 3 386.561 3.835 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135323 835444707 /nfs/dbraw/zinc/44/47/07/835444707.db2.gz DHNZKCJQCWJQMQ-PGRDOPGGSA-N 1 3 390.531 3.505 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135323 835444717 /nfs/dbraw/zinc/44/47/17/835444717.db2.gz DHNZKCJQCWJQMQ-PGRDOPGGSA-N 1 3 390.531 3.505 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc(-c4ccccc4)s3)CC2)CC1 ZINC000584062570 835530708 /nfs/dbraw/zinc/53/07/08/835530708.db2.gz SIXOCQBDYVWFNE-UHFFFAOYSA-N 1 3 398.576 3.945 20 0 GHADHO CSC1(CN[C@H]2CCc3c2c(Br)ccc3F)CC[NH+](C)CC1 ZINC000584119702 835659509 /nfs/dbraw/zinc/65/95/09/835659509.db2.gz BDHFVSCUJKRJPL-HNNXBMFYSA-N 1 3 387.362 3.993 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047302575 835742941 /nfs/dbraw/zinc/74/29/41/835742941.db2.gz YLJRXLKNWCYMLV-XMMPIXPASA-N 1 3 391.559 3.852 20 0 GHADHO Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)CC2)nc1 ZINC000180167363 836101263 /nfs/dbraw/zinc/10/12/63/836101263.db2.gz BOAPDGVLFDVEQB-YFNKSVMNSA-N 1 3 390.575 3.859 20 0 GHADHO C[C@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)N1CCCCCC1 ZINC000471235931 836134051 /nfs/dbraw/zinc/13/40/51/836134051.db2.gz RLDPLHFVTBIPPK-LJQANCHMSA-N 1 3 386.584 3.668 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)ccc1OC ZINC000375934476 836249707 /nfs/dbraw/zinc/24/97/07/836249707.db2.gz SHLORXIUTPBPLB-SFHVURJKSA-N 1 3 397.567 3.647 20 0 GHADHO CCC[NH+]1CCC(NCCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000133031043 836665990 /nfs/dbraw/zinc/66/59/90/836665990.db2.gz IQDIEMMHACFQPF-UHFFFAOYSA-N 1 3 382.346 3.550 20 0 GHADHO COc1cc(C[NH2+]CC(C)(C)CN(C)C)ccc1OCc1c(C)noc1C ZINC000025260715 836907933 /nfs/dbraw/zinc/90/79/33/836907933.db2.gz ZVIINEZXAUZXNN-UHFFFAOYSA-N 1 3 375.513 3.556 20 0 GHADHO Cc1c([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cnn1C(C)(C)C ZINC000414292808 836937223 /nfs/dbraw/zinc/93/72/23/836937223.db2.gz AVYVHJTXGIWFDG-SFHVURJKSA-N 1 3 384.568 3.624 20 0 GHADHO Cc1cc([C@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc(C)c1F ZINC000414327500 837144053 /nfs/dbraw/zinc/14/40/53/837144053.db2.gz ORSSQWKATVAACW-SFHVURJKSA-N 1 3 397.538 3.991 20 0 GHADHO C[NH+](C)CC[C@H](c1ccc(-n2nc(CN)c3ccccc32)cc1)c1ccccn1 ZINC001167698159 837303573 /nfs/dbraw/zinc/30/35/73/837303573.db2.gz OZTBDNCQDDBNMW-HXUWFJFHSA-N 1 3 385.515 3.963 20 0 GHADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659037220 837344484 /nfs/dbraw/zinc/34/44/84/837344484.db2.gz HXRTXZKZKVGSHA-FQEVSTJZSA-N 1 3 388.556 3.514 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377764317 837939953 /nfs/dbraw/zinc/93/99/53/837939953.db2.gz QWIRTNSPGYGRJY-VXKWHMMOSA-N 1 3 392.547 3.734 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377764317 837939956 /nfs/dbraw/zinc/93/99/56/837939956.db2.gz QWIRTNSPGYGRJY-VXKWHMMOSA-N 1 3 392.547 3.734 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccsc1 ZINC000659433831 838385987 /nfs/dbraw/zinc/38/59/87/838385987.db2.gz GPGYOYWWTFICGX-AZUAARDMSA-N 1 3 392.613 3.552 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000416005526 838395428 /nfs/dbraw/zinc/39/54/28/838395428.db2.gz IMEQWMQPBUGDOF-UHFFFAOYSA-N 1 3 390.531 3.810 20 0 GHADHO CCCCCOc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415117229 839229486 /nfs/dbraw/zinc/22/94/86/839229486.db2.gz BZMDHRKWRNGECZ-IRLDBZIGSA-N 1 3 390.568 3.983 20 0 GHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c(Cl)cccc3N3CCCC3)CC2)C1 ZINC000415119897 839237921 /nfs/dbraw/zinc/23/79/21/839237921.db2.gz FTBODVHMNJIMRE-LAUBAEHRSA-N 1 3 377.960 3.659 20 0 GHADHO COc1ccc(-c2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)c(OC)c1 ZINC000571450139 844422541 /nfs/dbraw/zinc/42/25/41/844422541.db2.gz QPTMTMZYQVQLGV-OAHLLOKOSA-N 1 3 387.549 3.791 20 0 GHADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000416840036 840207179 /nfs/dbraw/zinc/20/71/79/840207179.db2.gz KHVLGHKQVBDNCP-IBGZPJMESA-N 1 3 392.613 3.552 20 0 GHADHO CC[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417009084 840364512 /nfs/dbraw/zinc/36/45/12/840364512.db2.gz JWURGYAMEXBNBF-XZOQPEGZSA-N 1 3 394.563 3.603 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)N2CCCC2)cc1 ZINC000417352692 840748847 /nfs/dbraw/zinc/74/88/47/840748847.db2.gz GUXMETSBUGEERI-AVRDEDQJSA-N 1 3 380.536 3.651 20 0 GHADHO COc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1OC1CC1 ZINC000623564546 861209654 /nfs/dbraw/zinc/20/96/54/861209654.db2.gz IQZZWYFGKMLAJU-UHFFFAOYSA-N 1 3 381.520 3.633 20 0 GHADHO CC1(C)C[C@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc21 ZINC000178006868 861294072 /nfs/dbraw/zinc/29/40/72/861294072.db2.gz MZTBXQHDFXNCNM-REWPJTCUSA-N 1 3 391.559 3.896 20 0 GHADHO CC1(C)C[C@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc21 ZINC000178006868 861294083 /nfs/dbraw/zinc/29/40/83/861294083.db2.gz MZTBXQHDFXNCNM-REWPJTCUSA-N 1 3 391.559 3.896 20 0 GHADHO CN1CCCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000623654861 861301646 /nfs/dbraw/zinc/30/16/46/861301646.db2.gz KSHMAJTYEPILMF-NRFANRHFSA-N 1 3 389.547 3.815 20 0 GHADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413108 842414029 /nfs/dbraw/zinc/41/40/29/842414029.db2.gz KGBURROUGMXPJM-HNAYVOBHSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413108 842414038 /nfs/dbraw/zinc/41/40/38/842414038.db2.gz KGBURROUGMXPJM-HNAYVOBHSA-N 1 3 381.358 3.917 20 0 GHADHO CCC(CC)N1CCC([NH2+]C2CCN(C(=O)c3cccc(OC)c3)CC2)CC1 ZINC001167859721 842846864 /nfs/dbraw/zinc/84/68/64/842846864.db2.gz DJMOSZSUKADZNI-UHFFFAOYSA-N 1 3 387.568 3.542 20 0 GHADHO COc1cc(CN2CC[C@@H](OC)C[C@@H]2C)cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000433193105 843806113 /nfs/dbraw/zinc/80/61/13/843806113.db2.gz ORCYWKUZOZCBLS-YHDSQAASSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@@H](OC)C[C@@H]2C)cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000433193105 843806118 /nfs/dbraw/zinc/80/61/18/843806118.db2.gz ORCYWKUZOZCBLS-YHDSQAASSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@H](OC)C[C@@H]2C)cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c1 ZINC000433193105 843806124 /nfs/dbraw/zinc/80/61/24/843806124.db2.gz ORCYWKUZOZCBLS-YHDSQAASSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@H](OC)C[C@@H]2C)cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c1 ZINC000433193105 843806135 /nfs/dbraw/zinc/80/61/35/843806135.db2.gz ORCYWKUZOZCBLS-YHDSQAASSA-N 1 3 390.568 3.694 20 0 GHADHO CC(C)c1ncc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000236622487 843863500 /nfs/dbraw/zinc/86/35/00/843863500.db2.gz MFXHGXLJAKYGLY-UHFFFAOYSA-N 1 3 386.609 3.954 20 0 GHADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)cc1F ZINC000458273177 844775382 /nfs/dbraw/zinc/77/53/82/844775382.db2.gz AFFGSXRREBTKOZ-IBGZPJMESA-N 1 3 377.504 3.502 20 0 GHADHO c1c(CC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc2n1CCCC2 ZINC000512662619 844916314 /nfs/dbraw/zinc/91/63/14/844916314.db2.gz ZBJQOTPZLGOWEW-PMVMPFDFSA-N 1 3 378.564 3.652 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645154451 845387735 /nfs/dbraw/zinc/38/77/35/845387735.db2.gz VWQKGWLHYJLVGX-UGKGYDQZSA-N 1 3 386.584 3.544 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645154451 845387749 /nfs/dbraw/zinc/38/77/49/845387749.db2.gz VWQKGWLHYJLVGX-UGKGYDQZSA-N 1 3 386.584 3.544 20 0 GHADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000179510365 861609856 /nfs/dbraw/zinc/60/98/56/861609856.db2.gz SWPIDIFPSRVYOS-CQSZACIVSA-N 1 3 378.314 3.635 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3ccnn3-c3ccncc3)cc2)C1 ZINC000657310881 846002357 /nfs/dbraw/zinc/00/23/57/846002357.db2.gz QTNIOSPHMJTXQG-LJQANCHMSA-N 1 3 375.520 3.789 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3ccnn3-c3ccncc3)cc2)C1 ZINC000657310881 846002364 /nfs/dbraw/zinc/00/23/64/846002364.db2.gz QTNIOSPHMJTXQG-LJQANCHMSA-N 1 3 375.520 3.789 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000673772763 861657367 /nfs/dbraw/zinc/65/73/67/861657367.db2.gz ICQOEFPRHRAUNT-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO c1csc(C[N@H+]2CCC[C@H](CNCc3ccc(O[C@H]4CCOC4)cc3)C2)c1 ZINC000657338013 846340557 /nfs/dbraw/zinc/34/05/57/846340557.db2.gz GHCWTBGBTIJYCH-CTNGQTDRSA-N 1 3 386.561 3.918 20 0 GHADHO c1csc(C[N@@H+]2CCC[C@H](CNCc3ccc(O[C@H]4CCOC4)cc3)C2)c1 ZINC000657338013 846340565 /nfs/dbraw/zinc/34/05/65/846340565.db2.gz GHCWTBGBTIJYCH-CTNGQTDRSA-N 1 3 386.561 3.918 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000502838339 846533125 /nfs/dbraw/zinc/53/31/25/846533125.db2.gz DAHBWOLNBJZVRP-RTBURBONSA-N 1 3 392.613 3.839 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000502838339 846533134 /nfs/dbraw/zinc/53/31/34/846533134.db2.gz DAHBWOLNBJZVRP-RTBURBONSA-N 1 3 392.613 3.839 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000502856873 846553071 /nfs/dbraw/zinc/55/30/71/846553071.db2.gz BNNRQBAELLIAGR-UGKGYDQZSA-N 1 3 388.600 3.663 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000502856873 846553078 /nfs/dbraw/zinc/55/30/78/846553078.db2.gz BNNRQBAELLIAGR-UGKGYDQZSA-N 1 3 388.600 3.663 20 0 GHADHO COc1ccc([C@@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C(C)C)c(F)c1 ZINC000421842310 846632278 /nfs/dbraw/zinc/63/22/78/846632278.db2.gz NNTFZJGFFHFAKI-XXBNENTESA-N 1 3 386.511 3.888 20 0 GHADHO COc1ccc([C@@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C(C)C)c(F)c1 ZINC000421842310 846632286 /nfs/dbraw/zinc/63/22/86/846632286.db2.gz NNTFZJGFFHFAKI-XXBNENTESA-N 1 3 386.511 3.888 20 0 GHADHO C[NH+](C)[C@@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000501360125 846867919 /nfs/dbraw/zinc/86/79/19/846867919.db2.gz LUOSGORXONMSRL-YADHBBJMSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H](NCc1cccc(CN2CCCC2=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562535 847110841 /nfs/dbraw/zinc/11/08/41/847110841.db2.gz GYYJJWOTWNNJKM-YKSBVNFPSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H](NCc1cccc(CN2CCCC2=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562535 847110850 /nfs/dbraw/zinc/11/08/50/847110850.db2.gz GYYJJWOTWNNJKM-YKSBVNFPSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272562535 847110858 /nfs/dbraw/zinc/11/08/58/847110858.db2.gz GYYJJWOTWNNJKM-YKSBVNFPSA-N 1 3 391.559 3.809 20 0 GHADHO COCCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000272735210 847159224 /nfs/dbraw/zinc/15/92/24/847159224.db2.gz JLENGQLOXYOZND-CVDCTZTESA-N 1 3 398.547 3.519 20 0 GHADHO COCCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000272735210 847159233 /nfs/dbraw/zinc/15/92/33/847159233.db2.gz JLENGQLOXYOZND-CVDCTZTESA-N 1 3 398.547 3.519 20 0 GHADHO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC(CCC[NH+](C)C)CC1 ZINC000501773193 847171928 /nfs/dbraw/zinc/17/19/28/847171928.db2.gz GYTYIBONHPPPPQ-INIZCTEOSA-N 1 3 397.966 3.880 20 0 GHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511124376 847223676 /nfs/dbraw/zinc/22/36/76/847223676.db2.gz SQCARNSNEWHAKZ-ZEQRLZLVSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511124376 847223689 /nfs/dbraw/zinc/22/36/89/847223689.db2.gz SQCARNSNEWHAKZ-ZEQRLZLVSA-N 1 3 391.559 3.679 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccco1 ZINC000501840629 847273042 /nfs/dbraw/zinc/27/30/42/847273042.db2.gz LIOQGCXWMRWQHU-HLNWXESRSA-N 1 3 390.572 3.661 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000501840629 847273054 /nfs/dbraw/zinc/27/30/54/847273054.db2.gz LIOQGCXWMRWQHU-HLNWXESRSA-N 1 3 390.572 3.661 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(CCOc3ccc4ccccc4c3)CC2)CC1 ZINC000421011351 847609098 /nfs/dbraw/zinc/60/90/98/847609098.db2.gz PCUVQRMFGYOMLP-UHFFFAOYSA-N 1 3 381.564 3.711 20 0 GHADHO CCN1CCC([N@H+]2CCCN(CCOc3ccc4ccccc4c3)CC2)CC1 ZINC000421011351 847609104 /nfs/dbraw/zinc/60/91/04/847609104.db2.gz PCUVQRMFGYOMLP-UHFFFAOYSA-N 1 3 381.564 3.711 20 0 GHADHO COc1ccc([C@H](NC2CCN(Cc3ccc(F)cc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422725496 847798684 /nfs/dbraw/zinc/79/86/84/847798684.db2.gz YCTLIWUAZPYTHQ-ZEQRLZLVSA-N 1 3 397.538 3.882 20 0 GHADHO CCOc1ccc(C2(C[NH2+][C@@H](C)c3ccc(CN)nc3C)CCOCC2)cc1 ZINC000422884843 847869920 /nfs/dbraw/zinc/86/99/20/847869920.db2.gz XRSIONJJRJXKKS-KRWDZBQOSA-N 1 3 383.536 3.646 20 0 GHADHO COc1ccc([C@H](NC2CCN([C@@H](C)c3ccncc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422963935 847904989 /nfs/dbraw/zinc/90/49/89/847904989.db2.gz HJHSVBIUWFPTNY-NWVWQQAFSA-N 1 3 394.563 3.699 20 0 GHADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2nc(-c3ccccc3)cs2)CC[NH2+]CC1 ZINC000422957563 847915483 /nfs/dbraw/zinc/91/54/83/847915483.db2.gz NKSRGFHPXLVVSI-JKSUJKDBSA-N 1 3 387.549 3.782 20 0 GHADHO CN(C)[C@H](CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000604156807 861869955 /nfs/dbraw/zinc/86/99/55/861869955.db2.gz CPRNKLFPFAEZKF-DHIUTWEWSA-N 1 3 394.563 3.816 20 0 GHADHO CC1CCN([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)c2cccs2)CC1 ZINC000582893746 848648928 /nfs/dbraw/zinc/64/89/28/848648928.db2.gz ULMNPZJCELQIAO-IBGZPJMESA-N 1 3 384.549 3.946 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000548783772 848931903 /nfs/dbraw/zinc/93/19/03/848931903.db2.gz XKLODAANMJSQEP-OAQYLSRUSA-N 1 3 396.579 3.727 20 0 GHADHO CSc1cccc([C@@H](NCCCN2CC[NH2+]CC2)c2ccc(F)c(F)c2)c1 ZINC000423176764 849788009 /nfs/dbraw/zinc/78/80/09/849788009.db2.gz DBXXXJDKOXXRJJ-OAQYLSRUSA-N 1 3 391.531 3.661 20 0 GHADHO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@H]1CCCCN1 ZINC000423187409 849795194 /nfs/dbraw/zinc/79/51/94/849795194.db2.gz PHDYOZHDKBINTO-HNAYVOBHSA-N 1 3 380.374 3.534 20 0 GHADHO C[C@H](NC1CCN(Cc2cccc(Br)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423187409 849795207 /nfs/dbraw/zinc/79/52/07/849795207.db2.gz PHDYOZHDKBINTO-HNAYVOBHSA-N 1 3 380.374 3.534 20 0 GHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423378332 849892247 /nfs/dbraw/zinc/89/22/47/849892247.db2.gz FRKNKYJLWASICI-XJKSGUPXSA-N 1 3 398.498 3.605 20 0 GHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424166672 850274249 /nfs/dbraw/zinc/27/42/49/850274249.db2.gz GJMCTKPETQSQIH-RXVVDRJESA-N 1 3 386.584 3.801 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000514817210 850343774 /nfs/dbraw/zinc/34/37/74/850343774.db2.gz AKNLONUXRLPXAX-NHCICSSKSA-N 1 3 380.532 3.618 20 0 GHADHO COc1ccc(OCc2ccccn2)c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000435381113 850446198 /nfs/dbraw/zinc/44/61/98/850446198.db2.gz RHDPPKJFTCNGDS-JOCHJYFZSA-N 1 3 381.520 3.633 20 0 GHADHO COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1OCc1ccncc1 ZINC000414803432 850584006 /nfs/dbraw/zinc/58/40/06/850584006.db2.gz CPMMKMIGOKWKPZ-QGZVFWFLSA-N 1 3 377.488 3.979 20 0 GHADHO Cc1ccc(C)c(OC[C@@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000519141906 850662385 /nfs/dbraw/zinc/66/23/85/850662385.db2.gz SNGKSDIATSNFLA-REWPJTCUSA-N 1 3 382.548 3.858 20 0 GHADHO Cc1ccc(C)c(OC[C@@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000519141905 850662473 /nfs/dbraw/zinc/66/24/73/850662473.db2.gz SNGKSDIATSNFLA-OFNKIYASSA-N 1 3 382.548 3.858 20 0 GHADHO O=c1[nH]c(CCN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)nc2ccccc12 ZINC000435690854 850769645 /nfs/dbraw/zinc/76/96/45/850769645.db2.gz DUBFOCJKPPOYLU-LJQANCHMSA-N 1 3 394.544 3.584 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000440198659 850890809 /nfs/dbraw/zinc/89/08/09/850890809.db2.gz AGWQFOMHVWXNHS-BGYRXZFFSA-N 1 3 388.600 3.646 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000440198659 850890813 /nfs/dbraw/zinc/89/08/13/850890813.db2.gz AGWQFOMHVWXNHS-BGYRXZFFSA-N 1 3 388.600 3.646 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000440201379 850910590 /nfs/dbraw/zinc/91/05/90/850910590.db2.gz ITEJZCJFXUOKKH-WOJBJXKFSA-N 1 3 388.600 3.646 20 0 GHADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487872940 850960062 /nfs/dbraw/zinc/96/00/62/850960062.db2.gz KTKASJMLLMRAGG-XZOQPEGZSA-N 1 3 383.580 3.766 20 0 GHADHO CO[C@@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000513903216 850995101 /nfs/dbraw/zinc/99/51/01/850995101.db2.gz BRAJUUKRGOTXGL-FVJLSDCUSA-N 1 3 380.960 3.849 20 0 GHADHO OCC1([C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccncc2)CCC1 ZINC000668811916 851049910 /nfs/dbraw/zinc/04/99/10/851049910.db2.gz FNGUUGQAKZIXFG-QHCPKHFHSA-N 1 3 395.547 3.550 20 0 GHADHO F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@H]1CCCCN(Cc3ccccc3)C1)OCCO2 ZINC000894554391 851700477 /nfs/dbraw/zinc/70/04/77/851700477.db2.gz AUUGXIADYLHRFH-NJYVYQBISA-N 1 3 376.516 3.512 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000517427467 851949457 /nfs/dbraw/zinc/94/94/57/851949457.db2.gz ZLCYUYRGAGPSSJ-PKTZIBPZSA-N 1 3 398.595 3.792 20 0 GHADHO C[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001167984506 852542466 /nfs/dbraw/zinc/54/24/66/852542466.db2.gz PJOFSJAKVRUQCS-ZZPLLCAGSA-N 1 3 391.600 3.875 20 0 GHADHO C[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001167984506 852542472 /nfs/dbraw/zinc/54/24/72/852542472.db2.gz PJOFSJAKVRUQCS-ZZPLLCAGSA-N 1 3 391.600 3.875 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414947213 852803612 /nfs/dbraw/zinc/80/36/12/852803612.db2.gz VRGFHZQQIRXZSG-HFAKWTLXSA-N 1 3 377.838 3.664 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414947213 852803617 /nfs/dbraw/zinc/80/36/17/852803617.db2.gz VRGFHZQQIRXZSG-HFAKWTLXSA-N 1 3 377.838 3.664 20 0 GHADHO CCc1cccnc1[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000507490843 852971808 /nfs/dbraw/zinc/97/18/08/852971808.db2.gz AOOPSLAYPZNZOQ-NRFANRHFSA-N 1 3 380.580 3.893 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](c4ccccc4)C[C@@H]3C)CC2)CC1 ZINC000519700698 853385864 /nfs/dbraw/zinc/38/58/64/853385864.db2.gz GHXNNEHZXOCMAD-SIKLNZKXSA-N 1 3 383.580 3.587 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623862375 862465071 /nfs/dbraw/zinc/46/50/71/862465071.db2.gz SDBNIURUVJAMIJ-NHCUHLMSSA-N 1 3 379.589 3.846 20 0 GHADHO C[C@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H](c1ccccc1)N(C)C ZINC000415947883 853653595 /nfs/dbraw/zinc/65/35/95/853653595.db2.gz BJTGDTMRYYSETC-SCLBCKFNSA-N 1 3 394.441 3.977 20 0 GHADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(C)(C)C ZINC000604807201 862519230 /nfs/dbraw/zinc/51/92/30/862519230.db2.gz BEDQZUJPABYZED-FUHWJXTLSA-N 1 3 380.602 3.551 20 0 GHADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000458877158 854338816 /nfs/dbraw/zinc/33/88/16/854338816.db2.gz BDBXOCULOPOPSF-FQEVSTJZSA-N 1 3 392.613 3.527 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(-c4ncco4)c3C)CC2)CC1 ZINC000572377326 854493939 /nfs/dbraw/zinc/49/39/39/854493939.db2.gz AZQZWIUMLHOISF-UHFFFAOYSA-N 1 3 396.535 3.785 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167996003 854638727 /nfs/dbraw/zinc/63/87/27/854638727.db2.gz UZQFIQJDNWQAGJ-VJSBLZMESA-N 1 3 389.584 3.912 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167996003 854638735 /nfs/dbraw/zinc/63/87/35/854638735.db2.gz UZQFIQJDNWQAGJ-VJSBLZMESA-N 1 3 389.584 3.912 20 0 GHADHO Cc1ncsc1-c1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000667983359 862596258 /nfs/dbraw/zinc/59/62/58/862596258.db2.gz JOIJQPYBWJLOBH-UHFFFAOYSA-N 1 3 398.620 3.968 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNC[C@@H](O)COCc3cccs3)c2)CC1 ZINC000572714633 854947304 /nfs/dbraw/zinc/94/73/04/854947304.db2.gz SCCKXBIXJANKFE-OAQYLSRUSA-N 1 3 388.577 3.647 20 0 GHADHO CC(C)[NH+]1CCN(Cc2ccc(N(C(=N)N)c3ccc(F)cc3)c(F)c2)CC1 ZINC001168001271 855415087 /nfs/dbraw/zinc/41/50/87/855415087.db2.gz XNNRDJLGVOXALQ-UHFFFAOYSA-N 1 3 387.478 3.522 20 0 GHADHO CCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000590523899 855479814 /nfs/dbraw/zinc/47/98/14/855479814.db2.gz AHIZTCKVBYQXKV-OAQYLSRUSA-N 1 3 378.605 3.593 20 0 GHADHO CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629554367 862755524 /nfs/dbraw/zinc/75/55/24/862755524.db2.gz ZMNLNEKFDDIGQG-WMZOPIPTSA-N 1 3 396.366 3.866 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000591541617 856098816 /nfs/dbraw/zinc/09/88/16/856098816.db2.gz AGUAHSNISDNPEC-FGZHOGPDSA-N 1 3 386.584 3.512 20 0 GHADHO Cc1ccc([C@H](CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)N(C)C)cc1 ZINC000303758165 856150446 /nfs/dbraw/zinc/15/04/46/856150446.db2.gz DMIUEFXDFUYTNR-NRFANRHFSA-N 1 3 398.551 3.668 20 0 GHADHO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000591582339 856164014 /nfs/dbraw/zinc/16/40/14/856164014.db2.gz JFBPKHFKDYYUAG-WMLDXEAASA-N 1 3 398.332 3.877 20 0 GHADHO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000760883523 856213381 /nfs/dbraw/zinc/21/33/81/856213381.db2.gz BTDVNTQLZWZSQI-UCNVEGJOSA-N 1 3 376.541 3.526 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c2ccccc2)CC1 ZINC000057854829 856238241 /nfs/dbraw/zinc/23/82/41/856238241.db2.gz YVWHDPPVNUZTQZ-GOTSBHOMSA-N 1 3 398.595 3.729 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(c2ccccc2)C2CCN(C)CC2)CC1 ZINC000674491562 856330063 /nfs/dbraw/zinc/33/00/63/856330063.db2.gz CBLXYTFYQPNXMD-UHFFFAOYSA-N 1 3 392.547 3.734 20 0 GHADHO C[C@@H]1CC([NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168008833 856370860 /nfs/dbraw/zinc/37/08/60/856370860.db2.gz GBVUBSXICDGODD-QZTJIDSGSA-N 1 3 386.561 3.621 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000674040585 862824971 /nfs/dbraw/zinc/82/49/71/862824971.db2.gz KVYYNUIUMIMPIY-FQEVSTJZSA-N 1 3 398.595 3.699 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063408099 857615095 /nfs/dbraw/zinc/61/50/95/857615095.db2.gz XDZRPELRPQYCMH-HSZRJFAPSA-N 1 3 398.595 3.777 20 0 GHADHO C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)Cc1ccccc1 ZINC000521175683 857705602 /nfs/dbraw/zinc/70/56/02/857705602.db2.gz ODYQLHUPKOFGOV-HXUWFJFHSA-N 1 3 394.563 3.602 20 0 GHADHO CN(CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000065451067 857798998 /nfs/dbraw/zinc/79/89/98/857798998.db2.gz CPUGDFPBWKRHHV-UHFFFAOYSA-N 1 3 394.563 3.969 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)[C@H](C)C1 ZINC000676541215 857933005 /nfs/dbraw/zinc/93/30/05/857933005.db2.gz PSQRFWFNGODJTA-HJNYFJLDSA-N 1 3 386.584 3.585 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)[C@H](C)C1 ZINC000676541215 857933010 /nfs/dbraw/zinc/93/30/10/857933010.db2.gz PSQRFWFNGODJTA-HJNYFJLDSA-N 1 3 386.584 3.585 20 0 GHADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(F)c(I)c1 ZINC000521624565 858166837 /nfs/dbraw/zinc/16/68/37/858166837.db2.gz LKXJPWBIVHAUAN-NSHDSACASA-N 1 3 384.236 3.740 20 0 GHADHO CCOc1ccc([C@H](CC)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OCC ZINC000442872869 858189607 /nfs/dbraw/zinc/18/96/07/858189607.db2.gz KDPILCVCSGADIU-IBGZPJMESA-N 1 3 377.573 3.551 20 0 GHADHO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442876648 858198523 /nfs/dbraw/zinc/19/85/23/858198523.db2.gz QAMKXPMRFFUQGN-IBGZPJMESA-N 1 3 396.417 3.776 20 0 GHADHO COc1cc(CN2CCC[C@H](CC[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000442923174 858246143 /nfs/dbraw/zinc/24/61/43/858246143.db2.gz QCZDZDQOKOQXNS-GOSISDBHSA-N 1 3 384.520 3.844 20 0 GHADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000594969851 858334462 /nfs/dbraw/zinc/33/44/62/858334462.db2.gz QXEJBGPFPUCXEN-DENIHFKCSA-N 1 3 387.568 3.785 20 0 GHADHO COC(=O)c1ccc(-c2nc(CN3CCC[C@@H](C)[C@H]3CCC[NH3+])cs2)cc1 ZINC000595911930 858716663 /nfs/dbraw/zinc/71/66/63/858716663.db2.gz XIJXSNYNDRUJDG-DNVCBOLYSA-N 1 3 387.549 3.936 20 0 GHADHO COC1CCN(C2(C[NH2+][C@@H]3CCN(Cc4ccccc4)C[C@H]3C)CCCC2)CC1 ZINC000482636020 858725033 /nfs/dbraw/zinc/72/50/33/858725033.db2.gz LCKLJDDRSMTCKL-ZJSXRUAMSA-N 1 3 399.623 3.910 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cl)cc1-n1cncn1 ZINC000482843550 858912753 /nfs/dbraw/zinc/91/27/53/858912753.db2.gz NTBWMCHDKBSAFW-UTKZUKDTSA-N 1 3 395.938 3.921 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cl)cc1-n1cncn1 ZINC000482843550 858912763 /nfs/dbraw/zinc/91/27/63/858912763.db2.gz NTBWMCHDKBSAFW-UTKZUKDTSA-N 1 3 395.938 3.921 20 0 GHADHO CN(CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000184690888 858983057 /nfs/dbraw/zinc/98/30/57/858983057.db2.gz OKIISOGDXDOJCK-UHFFFAOYSA-N 1 3 379.548 3.537 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000509364290 859181286 /nfs/dbraw/zinc/18/12/86/859181286.db2.gz FIVRFSJDDAFWDT-IBGZPJMESA-N 1 3 392.613 3.504 20 0 GHADHO CC(C)N(C)c1ccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000483297468 859277910 /nfs/dbraw/zinc/27/79/10/859277910.db2.gz PQPWGEDJIQIGCK-BGYRXZFFSA-N 1 3 388.600 3.638 20 0 GHADHO CC(C)N(C)c1ccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000483297468 859277920 /nfs/dbraw/zinc/27/79/20/859277920.db2.gz PQPWGEDJIQIGCK-BGYRXZFFSA-N 1 3 388.600 3.638 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CN(Cc4ccccc4)CCCO3)CC2)C1 ZINC000429443459 859383226 /nfs/dbraw/zinc/38/32/26/859383226.db2.gz CYWWSMNDEKLASP-ZODMCCGTSA-N 1 3 399.623 3.910 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cc4cccnc4o3)C2)ccn1 ZINC000856560072 881440332 /nfs/dbraw/zinc/44/03/32/881440332.db2.gz VBZDBYSTXMIUHK-HXUWFJFHSA-N 1 3 380.492 3.716 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cc4cccnc4o3)C2)ccn1 ZINC000856560072 881440338 /nfs/dbraw/zinc/44/03/38/881440338.db2.gz VBZDBYSTXMIUHK-HXUWFJFHSA-N 1 3 380.492 3.716 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCC3CCOCC3)C2)ccn1 ZINC000856561358 881444852 /nfs/dbraw/zinc/44/48/52/881444852.db2.gz URFHQSASMZZCNP-QFIPXVFZSA-N 1 3 375.557 3.582 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCC3CCOCC3)C2)ccn1 ZINC000856561358 881444859 /nfs/dbraw/zinc/44/48/59/881444859.db2.gz URFHQSASMZZCNP-QFIPXVFZSA-N 1 3 375.557 3.582 20 0 GHADHO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000764906190 859661613 /nfs/dbraw/zinc/66/16/13/859661613.db2.gz YBFVPKBKKNHPFU-VXKWHMMOSA-N 1 3 393.575 3.914 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000484130802 859840927 /nfs/dbraw/zinc/84/09/27/859840927.db2.gz PPZJACSLKHHSAF-YOEHRIQHSA-N 1 3 389.371 3.527 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000484130802 859840934 /nfs/dbraw/zinc/84/09/34/859840934.db2.gz PPZJACSLKHHSAF-YOEHRIQHSA-N 1 3 389.371 3.527 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369577 859932072 /nfs/dbraw/zinc/93/20/72/859932072.db2.gz HPMUDDAAKNNWEO-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369577 859932079 /nfs/dbraw/zinc/93/20/79/859932079.db2.gz HPMUDDAAKNNWEO-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO Cc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2ccnn2C)c1 ZINC000904471574 860464257 /nfs/dbraw/zinc/46/42/57/860464257.db2.gz JDZBEGDUTFMWIA-XUZZJYLKSA-N 1 3 388.515 3.741 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869489 860803218 /nfs/dbraw/zinc/80/32/18/860803218.db2.gz LIJDBBVTIRWWPS-IPJJNNNSSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869489 860803220 /nfs/dbraw/zinc/80/32/20/860803220.db2.gz LIJDBBVTIRWWPS-IPJJNNNSSA-N 1 3 375.520 3.971 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182239129 863160538 /nfs/dbraw/zinc/16/05/38/863160538.db2.gz HKOXPFXLQNOXOX-GGAORHGYSA-N 1 3 380.532 3.955 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182239129 863160541 /nfs/dbraw/zinc/16/05/41/863160541.db2.gz HKOXPFXLQNOXOX-GGAORHGYSA-N 1 3 380.532 3.955 20 0 GHADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734882 863164936 /nfs/dbraw/zinc/16/49/36/863164936.db2.gz IYUAZTAZQLDYAC-VQIMIIECSA-N 1 3 385.474 3.545 20 0 GHADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734882 863164943 /nfs/dbraw/zinc/16/49/43/863164943.db2.gz IYUAZTAZQLDYAC-VQIMIIECSA-N 1 3 385.474 3.545 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000182269100 863170620 /nfs/dbraw/zinc/17/06/20/863170620.db2.gz MRPJVZHCUBNISW-RXVVDRJESA-N 1 3 386.923 3.910 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000182269100 863170631 /nfs/dbraw/zinc/17/06/31/863170631.db2.gz MRPJVZHCUBNISW-RXVVDRJESA-N 1 3 386.923 3.910 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)cc3F)C2)[C@H](C)C1 ZINC000624226089 863193460 /nfs/dbraw/zinc/19/34/60/863193460.db2.gz JQDJGBJHYJGFRV-KPFFTGBYSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)cc3F)C2)[C@H](C)C1 ZINC000624226089 863193467 /nfs/dbraw/zinc/19/34/67/863193467.db2.gz JQDJGBJHYJGFRV-KPFFTGBYSA-N 1 3 397.966 3.784 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000508470049 863761310 /nfs/dbraw/zinc/76/13/10/863761310.db2.gz RMYUVSWJUOIGQP-HSZRJFAPSA-N 1 3 379.548 3.923 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000508470049 863761319 /nfs/dbraw/zinc/76/13/19/863761319.db2.gz RMYUVSWJUOIGQP-HSZRJFAPSA-N 1 3 379.548 3.923 20 0 GHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C)[NH+](C)C ZINC000554219336 863918761 /nfs/dbraw/zinc/91/87/61/863918761.db2.gz VOBHURSWKWHIBO-QIJUGHKUSA-N 1 3 382.552 3.588 20 0 GHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000158698598 863919682 /nfs/dbraw/zinc/91/96/82/863919682.db2.gz YTYHGTMVIQJEGZ-XXBNENTESA-N 1 3 395.547 3.914 20 0 GHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000158698598 863919689 /nfs/dbraw/zinc/91/96/89/863919689.db2.gz YTYHGTMVIQJEGZ-XXBNENTESA-N 1 3 395.547 3.914 20 0 GHADHO CCC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000667642013 864299624 /nfs/dbraw/zinc/29/96/24/864299624.db2.gz LYMJDVRMCXMBMP-NRFANRHFSA-N 1 3 391.987 3.899 20 0 GHADHO CCC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000667642014 864299666 /nfs/dbraw/zinc/29/96/66/864299666.db2.gz LYMJDVRMCXMBMP-OAQYLSRUSA-N 1 3 391.987 3.899 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000554452055 864340800 /nfs/dbraw/zinc/34/08/00/864340800.db2.gz RCOZOJNYSIAYKB-OEMFJLHTSA-N 1 3 396.575 3.852 20 0 GHADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(CN2CCCCC2)c1 ZINC000622302482 864922107 /nfs/dbraw/zinc/92/21/07/864922107.db2.gz KXAPIPVMWVTEJU-UHFFFAOYSA-N 1 3 391.559 3.851 20 0 GHADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(CN2CCCCC2)c1 ZINC000622302482 864922113 /nfs/dbraw/zinc/92/21/13/864922113.db2.gz KXAPIPVMWVTEJU-UHFFFAOYSA-N 1 3 391.559 3.851 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@@H](C)C1 ZINC000480691354 865097207 /nfs/dbraw/zinc/09/72/07/865097207.db2.gz FRTBDPRQXGZDDH-RBBKRZOGSA-N 1 3 388.600 3.689 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480719094 865160571 /nfs/dbraw/zinc/16/05/71/865160571.db2.gz XIDBMJXSJMCYBD-IRLDBZIGSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480719094 865160577 /nfs/dbraw/zinc/16/05/77/865160577.db2.gz XIDBMJXSJMCYBD-IRLDBZIGSA-N 1 3 383.580 3.764 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726185 865179493 /nfs/dbraw/zinc/17/94/93/865179493.db2.gz HJRXGZYUHIHKLE-YLJYHZDGSA-N 1 3 377.598 3.902 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726185 865179504 /nfs/dbraw/zinc/17/95/04/865179504.db2.gz HJRXGZYUHIHKLE-YLJYHZDGSA-N 1 3 377.598 3.902 20 0 GHADHO COC[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)C1CC1 ZINC000480751941 865197277 /nfs/dbraw/zinc/19/72/77/865197277.db2.gz RYXNZCZIDCWUFR-XMMPIXPASA-N 1 3 379.548 3.523 20 0 GHADHO C[NH+]1CCC(N2CCC(Nc3cnc4cc(Cl)c(Cl)cc4n3)CC2)CC1 ZINC000302119602 865721366 /nfs/dbraw/zinc/72/13/66/865721366.db2.gz XLJBCJNASXRNKA-UHFFFAOYSA-N 1 3 394.350 3.907 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000899377086 865871218 /nfs/dbraw/zinc/87/12/18/865871218.db2.gz UADWYOIJYRGSIU-XXBNENTESA-N 1 3 383.580 3.792 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000481175112 865924914 /nfs/dbraw/zinc/92/49/14/865924914.db2.gz LUVWNKCUOGXMCX-ZRCGQRJVSA-N 1 3 391.559 3.855 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000121110475 881927471 /nfs/dbraw/zinc/92/74/71/881927471.db2.gz JOGOVQSNZLYWLT-HOTGVXAUSA-N 1 3 381.948 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000121110475 881927482 /nfs/dbraw/zinc/92/74/82/881927482.db2.gz JOGOVQSNZLYWLT-HOTGVXAUSA-N 1 3 381.948 3.777 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCO[C@H]2CCOC2)cc1CN1CCCCC1 ZINC000183108488 866217012 /nfs/dbraw/zinc/21/70/12/866217012.db2.gz IPMMWCVJYXNUID-RXVVDRJESA-N 1 3 376.541 3.527 20 0 GHADHO CC(C)N1CCC([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 ZINC000133127622 881975468 /nfs/dbraw/zinc/97/54/68/881975468.db2.gz PMDVGCLCTREFPF-FQEVSTJZSA-N 1 3 399.501 3.541 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCCC[C@@H]3c3ccco3)CC2)CC1 ZINC000553163206 866930016 /nfs/dbraw/zinc/93/00/16/866930016.db2.gz JNHDHWHHJHJZPY-OAQYLSRUSA-N 1 3 387.568 3.920 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3ccccc3C)CC2)CC1 ZINC000553355897 867255858 /nfs/dbraw/zinc/25/58/58/867255858.db2.gz MKXIQQBHNBSMNN-HSZRJFAPSA-N 1 3 383.580 3.855 20 0 GHADHO Cc1cccc(N2CCN(CCC(=O)Nc3cc(C)cc(C[NH+](C)C)c3)CC2)c1 ZINC000534704900 867290245 /nfs/dbraw/zinc/29/02/45/867290245.db2.gz HFQPXCCNVVRCGA-UHFFFAOYSA-N 1 3 394.563 3.516 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2sc(-c3ccccc3F)nc2C)CC1 ZINC000154238859 867315565 /nfs/dbraw/zinc/31/55/65/867315565.db2.gz SKXFDISBZRRKIO-MRXNPFEDSA-N 1 3 390.572 3.936 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484613 867852993 /nfs/dbraw/zinc/85/29/93/867852993.db2.gz IASLIJISBAYHIP-KNQAVFIVSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484613 867853007 /nfs/dbraw/zinc/85/30/07/867853007.db2.gz IASLIJISBAYHIP-KNQAVFIVSA-N 1 3 397.950 3.814 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cn[nH]c1 ZINC000671098964 868250838 /nfs/dbraw/zinc/25/08/38/868250838.db2.gz WAMYLAYEQPWZMQ-INIZCTEOSA-N 1 3 395.473 3.682 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)N2CCCC2)cc1 ZINC000524136759 868581312 /nfs/dbraw/zinc/58/13/12/868581312.db2.gz ONJYWSIBZCDGSQ-QHCPKHFHSA-N 1 3 398.595 3.792 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)N2CCCC2)cc1 ZINC000524136759 868581322 /nfs/dbraw/zinc/58/13/22/868581322.db2.gz ONJYWSIBZCDGSQ-QHCPKHFHSA-N 1 3 398.595 3.792 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000535397658 868687667 /nfs/dbraw/zinc/68/76/67/868687667.db2.gz HKCZUBYFKDJXBI-PKTZIBPZSA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000457739895 868699968 /nfs/dbraw/zinc/69/99/68/868699968.db2.gz ONQPEZGHMFJFCY-KDURUIRLSA-N 1 3 394.629 3.579 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000457739895 868699972 /nfs/dbraw/zinc/69/99/72/868699972.db2.gz ONQPEZGHMFJFCY-KDURUIRLSA-N 1 3 394.629 3.579 20 0 GHADHO CCOc1cc2nccc(N3CC[NH+](CC4CCOCC4)CC3)c2cc1OCC ZINC000524236256 868786234 /nfs/dbraw/zinc/78/62/34/868786234.db2.gz FUQCWWXXXVFBRR-UHFFFAOYSA-N 1 3 399.535 3.581 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524447492 869097145 /nfs/dbraw/zinc/09/71/45/869097145.db2.gz RFTLNNRDYCZBGT-UNMCSNQZSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524447492 869097159 /nfs/dbraw/zinc/09/71/59/869097159.db2.gz RFTLNNRDYCZBGT-UNMCSNQZSA-N 1 3 386.584 3.605 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000462798375 870114063 /nfs/dbraw/zinc/11/40/63/870114063.db2.gz KVFOYJBVPCYATB-RBZQAINGSA-N 1 3 385.596 3.509 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)N(C)C)cc1 ZINC000248397323 870370297 /nfs/dbraw/zinc/37/02/97/870370297.db2.gz HXOHZMLZGBWYFS-CBQOVEMMSA-N 1 3 386.584 3.550 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)N(C)C)cc1 ZINC000248397323 870370317 /nfs/dbraw/zinc/37/03/17/870370317.db2.gz HXOHZMLZGBWYFS-CBQOVEMMSA-N 1 3 386.584 3.550 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000248465019 870443868 /nfs/dbraw/zinc/44/38/68/870443868.db2.gz ZWHCXPZZTSYHKU-ISKFKSNPSA-N 1 3 392.543 3.745 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000248465019 870443878 /nfs/dbraw/zinc/44/38/78/870443878.db2.gz ZWHCXPZZTSYHKU-ISKFKSNPSA-N 1 3 392.543 3.745 20 0 GHADHO C[NH+]1CCC(O)(CN[C@@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446836801 870521880 /nfs/dbraw/zinc/52/18/80/870521880.db2.gz WRJHERZVQCIYEM-MRXNPFEDSA-N 1 3 387.749 3.600 20 0 GHADHO CN1CCC(O)(C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446836801 870521893 /nfs/dbraw/zinc/52/18/93/870521893.db2.gz WRJHERZVQCIYEM-MRXNPFEDSA-N 1 3 387.749 3.600 20 0 GHADHO Cc1ccc(C)c([C@@H](C)N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000508579949 870799227 /nfs/dbraw/zinc/79/92/27/870799227.db2.gz DBQCCYNJSXJKEY-LJQANCHMSA-N 1 3 386.584 3.564 20 0 GHADHO CN(Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022993 870851819 /nfs/dbraw/zinc/85/18/19/870851819.db2.gz YIEUNBCNRAANBX-DNQXCXABSA-N 1 3 391.559 3.599 20 0 GHADHO CN(Cc1ccccc1)C[C@H](C[N@H+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022993 870851828 /nfs/dbraw/zinc/85/18/28/870851828.db2.gz YIEUNBCNRAANBX-DNQXCXABSA-N 1 3 391.559 3.599 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000463126123 870936868 /nfs/dbraw/zinc/93/68/68/870936868.db2.gz YHSNEVCHMBLGFQ-JSRBNTPPSA-N 1 3 387.612 3.766 20 0 GHADHO c1ccc(CCN2CCC([NH2+]C[C@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000463134005 870979540 /nfs/dbraw/zinc/97/95/40/870979540.db2.gz GSPLXUOEUHWERP-RUZDIDTESA-N 1 3 377.576 3.948 20 0 GHADHO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c(C)c1 ZINC000090028190 871088660 /nfs/dbraw/zinc/08/86/60/871088660.db2.gz RJMRCVIASVCTMR-FQEVSTJZSA-N 1 3 379.548 3.980 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@]3(CCCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131729 871221241 /nfs/dbraw/zinc/22/12/41/871221241.db2.gz YIYKWFPMZULUGB-MDPIYQRISA-N 1 3 377.573 3.867 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@]3(CCCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131729 871221257 /nfs/dbraw/zinc/22/12/57/871221257.db2.gz YIYKWFPMZULUGB-MDPIYQRISA-N 1 3 377.573 3.867 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@](C)(CO)Cc2ccccc2)CC1 ZINC000449279891 871288110 /nfs/dbraw/zinc/28/81/10/871288110.db2.gz UIZHXHOWHOMRBM-BWKNWUBXSA-N 1 3 380.576 3.913 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000552033159 871540096 /nfs/dbraw/zinc/54/00/96/871540096.db2.gz OUIFDNODAIXENJ-IBGZPJMESA-N 1 3 385.474 3.654 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000618492362 871679088 /nfs/dbraw/zinc/67/90/88/871679088.db2.gz IZJUWRJJBVKEDJ-LJQANCHMSA-N 1 3 379.548 3.910 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000618492362 871679099 /nfs/dbraw/zinc/67/90/99/871679099.db2.gz IZJUWRJJBVKEDJ-LJQANCHMSA-N 1 3 379.548 3.910 20 0 GHADHO CN1CC[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000533946729 871762436 /nfs/dbraw/zinc/76/24/36/871762436.db2.gz LXYFQSFNHBUURZ-XZOQPEGZSA-N 1 3 398.595 3.729 20 0 GHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071472 871979292 /nfs/dbraw/zinc/97/92/92/871979292.db2.gz HRQOHFWHRTXUMO-DZGCQCFKSA-N 1 3 383.330 3.525 20 0 GHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071472 871979297 /nfs/dbraw/zinc/97/92/97/871979297.db2.gz HRQOHFWHRTXUMO-DZGCQCFKSA-N 1 3 383.330 3.525 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C[C@@H](C)O1 ZINC000093844243 872448195 /nfs/dbraw/zinc/44/81/95/872448195.db2.gz IHVLGHIWCPAATH-RTBURBONSA-N 1 3 382.552 3.788 20 0 GHADHO C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110264 882615881 /nfs/dbraw/zinc/61/58/81/882615881.db2.gz VOPOJYJAMULPIB-HXUWFJFHSA-N 1 3 376.504 3.733 20 0 GHADHO C[N@@H+](CCc1nc(-c2ccccc2)no1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110264 882615890 /nfs/dbraw/zinc/61/58/90/882615890.db2.gz VOPOJYJAMULPIB-HXUWFJFHSA-N 1 3 376.504 3.733 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cc1CN1CCCCC1 ZINC000763558894 872535413 /nfs/dbraw/zinc/53/54/13/872535413.db2.gz NEUGMZIHPDFOHI-GCJKJVERSA-N 1 3 390.568 3.509 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(O)(c3ccccc3)CC2)CC1 ZINC000768529994 873362915 /nfs/dbraw/zinc/36/29/15/873362915.db2.gz BETUGVPFOXACOD-UHFFFAOYSA-N 1 3 393.575 3.702 20 0 GHADHO Cc1cc2ncn(C[C@@H](O)CN3CCC[C@H]3CC[NH+]3CCC(C)CC3)c2cc1C ZINC001196935946 873486834 /nfs/dbraw/zinc/48/68/34/873486834.db2.gz MXKGAVBUBRLVBU-VXKWHMMOSA-N 1 3 398.595 3.600 20 0 GHADHO Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCC[C@H]3CCN3CCC(C)CC3)c2cc1C ZINC001196935946 873486839 /nfs/dbraw/zinc/48/68/39/873486839.db2.gz MXKGAVBUBRLVBU-VXKWHMMOSA-N 1 3 398.595 3.600 20 0 GHADHO Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCC[C@H]3CCN3CCC(C)CC3)c2cc1C ZINC001196935946 873486843 /nfs/dbraw/zinc/48/68/43/873486843.db2.gz MXKGAVBUBRLVBU-VXKWHMMOSA-N 1 3 398.595 3.600 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000768932697 873700058 /nfs/dbraw/zinc/70/00/58/873700058.db2.gz PWFWRTJVXMQCKD-SFHVURJKSA-N 1 3 396.453 3.639 20 0 GHADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)N1CCCC1 ZINC000528012874 873883640 /nfs/dbraw/zinc/88/36/40/873883640.db2.gz BRFUIPHAWGQUTE-BHIFYINESA-N 1 3 383.580 3.525 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CCOc3ccc4ccccc4c3)CC2)CC1 ZINC000541666940 874088363 /nfs/dbraw/zinc/08/83/63/874088363.db2.gz KLBWGKSJNINBCM-UHFFFAOYSA-N 1 3 381.564 3.568 20 0 GHADHO C[C@@H](CN1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449037793 874381579 /nfs/dbraw/zinc/38/15/79/874381579.db2.gz OZHADVDLGYUOFH-IBGZPJMESA-N 1 3 392.609 3.782 20 0 GHADHO COc1ccccc1[C@H](C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)N(C)C ZINC000449061528 874398474 /nfs/dbraw/zinc/39/84/74/874398474.db2.gz GMHYNSQCFZXVGP-YKSBVNFPSA-N 1 3 395.591 3.983 20 0 GHADHO COc1cccc(N2CC[C@H](NC3CC[NH+]([C@H](C)Cc4ccccc4)CC3)C2)c1 ZINC000449118771 874502475 /nfs/dbraw/zinc/50/24/75/874502475.db2.gz UJLMCWVZWAPJLL-OFNKIYASSA-N 1 3 393.575 3.959 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2cc(F)cc3c2OCOC3)CC1 ZINC000449129103 874512513 /nfs/dbraw/zinc/51/25/13/874512513.db2.gz BNDOQUSJYGLUHR-SFHVURJKSA-N 1 3 398.522 3.920 20 0 GHADHO CC(C)OCCN1CCC([NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449180841 874573382 /nfs/dbraw/zinc/57/33/82/874573382.db2.gz CKPONJLBBZJBBP-OAQYLSRUSA-N 1 3 387.612 3.561 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000770327198 874601643 /nfs/dbraw/zinc/60/16/43/874601643.db2.gz RFUVINDFGNNTBT-GGAORHGYSA-N 1 3 397.563 3.900 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000770327198 874601650 /nfs/dbraw/zinc/60/16/50/874601650.db2.gz RFUVINDFGNNTBT-GGAORHGYSA-N 1 3 397.563 3.900 20 0 GHADHO COc1cc2ccccc2cc1C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000449238707 874644730 /nfs/dbraw/zinc/64/47/30/874644730.db2.gz SQBFDRAVUWAYQR-UHFFFAOYSA-N 1 3 381.564 3.698 20 0 GHADHO CNC(=O)C[C@H]([NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449299744 874686815 /nfs/dbraw/zinc/68/68/15/874686815.db2.gz MVDOJBRILGKEAR-XXBNENTESA-N 1 3 379.548 3.549 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5ccncc5)C4)[C@@H]3C2)cc1 ZINC000449532805 875014404 /nfs/dbraw/zinc/01/44/04/875014404.db2.gz DQHGZICQVVRKRZ-UDIRQSBCSA-N 1 3 377.532 3.802 20 0 GHADHO c1ccc(CN2CCCO[C@@H](CN3CCC[N@@H+](CC4CCCCC4)CC3)C2)cc1 ZINC000429728152 882901442 /nfs/dbraw/zinc/90/14/42/882901442.db2.gz YIEZDPDLFQOEAM-VWLOTQADSA-N 1 3 399.623 3.866 20 0 GHADHO c1ccc(CN2CCCO[C@@H](CN3CCC[N@H+](CC4CCCCC4)CC3)C2)cc1 ZINC000429728152 882901466 /nfs/dbraw/zinc/90/14/66/882901466.db2.gz YIEZDPDLFQOEAM-VWLOTQADSA-N 1 3 399.623 3.866 20 0 GHADHO Cn1ccnc1[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449778341 875381314 /nfs/dbraw/zinc/38/13/14/875381314.db2.gz BKLZNUGGZAPXCN-RBUKOAKNSA-N 1 3 376.589 3.909 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cccc(OC3CCCC3)c2)C1 ZINC001201954274 875952609 /nfs/dbraw/zinc/95/26/09/875952609.db2.gz KDGWTQANWWSCMC-QFIPXVFZSA-N 1 3 380.532 3.864 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cccc(OC3CCCC3)c2)C1 ZINC001201954274 875952620 /nfs/dbraw/zinc/95/26/20/875952620.db2.gz KDGWTQANWWSCMC-QFIPXVFZSA-N 1 3 380.532 3.864 20 0 GHADHO CC1(C)OCC[C@H]1[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000551006443 883000722 /nfs/dbraw/zinc/00/07/22/883000722.db2.gz FHBIGMSJGYMYOG-LJQANCHMSA-N 1 3 399.501 3.765 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2c(CNC3CC[NH+](C4CC4)CC3)cccc2C1 ZINC000850018184 876602638 /nfs/dbraw/zinc/60/26/38/876602638.db2.gz SRVSBRMLDHPCSN-UHFFFAOYSA-N 1 3 385.552 3.696 20 0 GHADHO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1Cl ZINC000173928644 876728607 /nfs/dbraw/zinc/72/86/07/876728607.db2.gz WKGBLHZZRAVKJZ-CQSZACIVSA-N 1 3 379.335 3.991 20 0 GHADHO CCS[C@H]1CC[C@H](N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000174341681 876974751 /nfs/dbraw/zinc/97/47/51/876974751.db2.gz UGXAYHFYWVEJAR-SFTDATJTSA-N 1 3 389.609 3.505 20 0 GHADHO O=C(OCc1ccccc1)[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000786967628 877055682 /nfs/dbraw/zinc/05/56/82/877055682.db2.gz LOZADSXPUJBXLQ-XMMPIXPASA-N 1 3 392.543 3.978 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)N(C)C)cc1 ZINC000455894386 877352079 /nfs/dbraw/zinc/35/20/79/877352079.db2.gz CWSHAEZWNUMOEI-FGZHOGPDSA-N 1 3 380.536 3.968 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000152653173 877389621 /nfs/dbraw/zinc/38/96/21/877389621.db2.gz MRFUOGZOYOFXRZ-VQIMIIECSA-N 1 3 395.975 3.704 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000152653173 877389634 /nfs/dbraw/zinc/38/96/34/877389634.db2.gz MRFUOGZOYOFXRZ-VQIMIIECSA-N 1 3 395.975 3.704 20 0 GHADHO CC(C)N1CCN(CCC[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000451145512 877451304 /nfs/dbraw/zinc/45/13/04/877451304.db2.gz KLELOOCIUAZVRE-UHFFFAOYSA-N 1 3 385.474 3.580 20 0 GHADHO Cc1ccc2nc(CNCc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)cn2c1 ZINC000551573758 877461630 /nfs/dbraw/zinc/46/16/30/877461630.db2.gz BPNFANHXPTXLFV-OALUTQOASA-N 1 3 378.520 3.542 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccc(CNCc3ccc(Br)o3)cc2)C[C@H](C)O1 ZINC000237633535 877725641 /nfs/dbraw/zinc/72/56/41/877725641.db2.gz JGLKDTWDWGGXEV-GASCZTMLSA-N 1 3 393.325 3.941 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccc(CNCc3ccc(Br)o3)cc2)C[C@H](C)O1 ZINC000237633535 877725648 /nfs/dbraw/zinc/72/56/48/877725648.db2.gz JGLKDTWDWGGXEV-GASCZTMLSA-N 1 3 393.325 3.941 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1ccsc1 ZINC000615672621 877999186 /nfs/dbraw/zinc/99/91/86/877999186.db2.gz CGLDGCCKCIBGRU-HXUWFJFHSA-N 1 3 394.629 3.893 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccsc1 ZINC000615672621 877999192 /nfs/dbraw/zinc/99/91/92/877999192.db2.gz CGLDGCCKCIBGRU-HXUWFJFHSA-N 1 3 394.629 3.893 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176010327 878034336 /nfs/dbraw/zinc/03/43/36/878034336.db2.gz DVWPFBILJNCDSH-FQEVSTJZSA-N 1 3 398.595 3.699 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000615775674 878109428 /nfs/dbraw/zinc/10/94/28/878109428.db2.gz JPMMPVFTWZGFSG-MJGOQNOKSA-N 1 3 380.602 3.552 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)C2)C1 ZINC000788586965 878186879 /nfs/dbraw/zinc/18/68/79/878186879.db2.gz HAHXKJSKDFMYIU-FQEVSTJZSA-N 1 3 399.579 3.540 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245630596 878248242 /nfs/dbraw/zinc/24/82/42/878248242.db2.gz HTRUJHFRBRRSMA-PKTZIBPZSA-N 1 3 394.563 3.725 20 0 GHADHO c1cc2c(s1)CCN(CCN[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000245757233 878549619 /nfs/dbraw/zinc/54/96/19/878549619.db2.gz VCEGHGMBGOGBCV-DKUWSORSSA-N 1 3 381.589 3.891 20 0 GHADHO c1cc2c(s1)CCN(CCN[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000245757233 878549632 /nfs/dbraw/zinc/54/96/32/878549632.db2.gz VCEGHGMBGOGBCV-DKUWSORSSA-N 1 3 381.589 3.891 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000537970056 878644749 /nfs/dbraw/zinc/64/47/49/878644749.db2.gz FALYPUANWDXYRV-FQEVSTJZSA-N 1 3 383.561 3.741 20 0 GHADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N(C)Cc1ccccc1 ZINC000177504481 878735069 /nfs/dbraw/zinc/73/50/69/878735069.db2.gz VOGTYSQWYZZARX-LJQANCHMSA-N 1 3 386.584 3.603 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)c(C)c2)CC1 ZINC000177625271 878783543 /nfs/dbraw/zinc/78/35/43/878783543.db2.gz KNXDFMXWPPROOK-FQEVSTJZSA-N 1 3 398.595 3.730 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)c(C)c2)CC1 ZINC000177625271 878783561 /nfs/dbraw/zinc/78/35/61/878783561.db2.gz KNXDFMXWPPROOK-FQEVSTJZSA-N 1 3 398.595 3.730 20 0 GHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000246504595 879629362 /nfs/dbraw/zinc/62/93/62/879629362.db2.gz BZUMWTFAELFWBF-OXJNMPFZSA-N 1 3 385.939 3.888 20 0 GHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000246504595 879629379 /nfs/dbraw/zinc/62/93/79/879629379.db2.gz BZUMWTFAELFWBF-OXJNMPFZSA-N 1 3 385.939 3.888 20 0 GHADHO O[C@H](Cc1ccccc1C(F)(F)F)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246529201 879658938 /nfs/dbraw/zinc/65/89/38/879658938.db2.gz CMHBTXRGZRXHQG-ILZDJORESA-N 1 3 382.470 3.558 20 0 GHADHO O[C@H](Cc1ccccc1C(F)(F)F)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246529201 879658947 /nfs/dbraw/zinc/65/89/47/879658947.db2.gz CMHBTXRGZRXHQG-ILZDJORESA-N 1 3 382.470 3.558 20 0 GHADHO CCc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000247921396 880086611 /nfs/dbraw/zinc/08/66/11/880086611.db2.gz BGHSVQBIXKXFQL-VQIMIIECSA-N 1 3 385.577 3.859 20 0 GHADHO CCc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000247921396 880086625 /nfs/dbraw/zinc/08/66/25/880086625.db2.gz BGHSVQBIXKXFQL-VQIMIIECSA-N 1 3 385.577 3.859 20 0 GHADHO C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CN1CCCCC1 ZINC000531684664 880316377 /nfs/dbraw/zinc/31/63/77/880316377.db2.gz CVMJJWQJASTOAF-MSOLQXFVSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000531684664 880316392 /nfs/dbraw/zinc/31/63/92/880316392.db2.gz CVMJJWQJASTOAF-MSOLQXFVSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@@H]1C[NH+](CCOc2ccc(CCN[C@@H]3C[C@H](C)n4ccnc43)cc2)C[C@H]1C ZINC000453164391 880563127 /nfs/dbraw/zinc/56/31/27/880563127.db2.gz NVVCUMCKQLLVFY-NXWNEQKCSA-N 1 3 382.552 3.688 20 0 GHADHO CC(C)[C@@H](CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)[NH+]1CCCC1 ZINC000531947228 880804549 /nfs/dbraw/zinc/80/45/49/880804549.db2.gz MYYNALILOBNSSO-FXAWDEMLSA-N 1 3 379.976 3.787 20 0 GHADHO Cc1cc(Cl)cc(C)c1CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000120157560 881338422 /nfs/dbraw/zinc/33/84/22/881338422.db2.gz YFTOIZXYUBNFQU-FQEVSTJZSA-N 1 3 399.966 3.944 20 0 GHADHO Cc1cc(Cl)cc(C)c1CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000120157560 881338438 /nfs/dbraw/zinc/33/84/38/881338438.db2.gz YFTOIZXYUBNFQU-FQEVSTJZSA-N 1 3 399.966 3.944 20 0 GHADHO Fc1ccc(Cl)cc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910432 883290009 /nfs/dbraw/zinc/29/00/09/883290009.db2.gz CUHACXTYEGBDNN-KRWDZBQOSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1ccc(Cl)cc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910432 883290027 /nfs/dbraw/zinc/29/00/27/883290027.db2.gz CUHACXTYEGBDNN-KRWDZBQOSA-N 1 3 398.869 3.718 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476933517 883392616 /nfs/dbraw/zinc/39/26/16/883392616.db2.gz SLUMDWLGNWQNHT-UHFFFAOYSA-N 1 3 386.584 3.690 20 0 GHADHO Cc1ccc([C@H](N[C@H]2CC23CC[NH2+]CC3)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000643535963 912730761 /nfs/dbraw/zinc/73/07/61/912730761.db2.gz QFILNNHQDQFTCH-FCHUYYIVSA-N 1 3 398.572 3.528 20 0 GHADHO COc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1OCc1cccnc1 ZINC000194062754 883655337 /nfs/dbraw/zinc/65/53/37/883655337.db2.gz JCQLFSBGEIVDAC-UHFFFAOYSA-N 1 3 381.520 3.633 20 0 GHADHO Cc1cc(Cl)ccc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000136170904 883724766 /nfs/dbraw/zinc/72/47/66/883724766.db2.gz GNCDAULUKWSBLD-UHFFFAOYSA-N 1 3 379.976 3.564 20 0 GHADHO C[C@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCN1C ZINC000666172370 883782161 /nfs/dbraw/zinc/78/21/61/883782161.db2.gz NWUFPSFSMCOIBR-UFONIEFXSA-N 1 3 381.539 3.866 20 0 GHADHO C[C@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494950368 884278813 /nfs/dbraw/zinc/27/88/13/884278813.db2.gz GBWUQQJJAVAJCS-YCMKEVRSSA-N 1 3 397.485 3.844 20 0 GHADHO COCc1ccc(Cl)nc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170523037 885401791 /nfs/dbraw/zinc/40/17/91/885401791.db2.gz YMJNCJBQFDVJKT-UHFFFAOYSA-N 1 3 398.938 3.791 20 0 GHADHO CCc1cc(Cl)nnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170523693 885422778 /nfs/dbraw/zinc/42/27/78/885422778.db2.gz BFMHNKTZYCPWQH-UHFFFAOYSA-N 1 3 383.927 3.602 20 0 GHADHO COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001170523731 885424633 /nfs/dbraw/zinc/42/46/33/885424633.db2.gz IECYTPLKHIJEAO-UEQSERJNSA-N 1 3 392.543 3.976 20 0 GHADHO COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001170523731 885424639 /nfs/dbraw/zinc/42/46/39/885424639.db2.gz IECYTPLKHIJEAO-UEQSERJNSA-N 1 3 392.543 3.976 20 0 GHADHO Cc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c2nsnc21 ZINC001170527927 885537937 /nfs/dbraw/zinc/53/79/37/885537937.db2.gz DOQMAZGOORVWLZ-UHFFFAOYSA-N 1 3 391.544 3.909 20 0 GHADHO C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495444919 885830353 /nfs/dbraw/zinc/83/03/53/885830353.db2.gz OBJVOSSSOOHYQN-HBUYNFGHSA-N 1 3 391.559 3.676 20 0 GHADHO C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444919 885830370 /nfs/dbraw/zinc/83/03/70/885830370.db2.gz OBJVOSSSOOHYQN-HBUYNFGHSA-N 1 3 391.559 3.676 20 0 GHADHO CN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000072733218 886358741 /nfs/dbraw/zinc/35/87/41/886358741.db2.gz OTVVOFXGMXIFQN-JOCHJYFZSA-N 1 3 380.536 3.877 20 0 GHADHO COc1cc(CN(C)Cc2ccc(C[NH+](C)C)cc2)ccc1OC(=O)C1CC1 ZINC000809738744 887775196 /nfs/dbraw/zinc/77/51/96/887775196.db2.gz HOJBFBGIGWLBBZ-UHFFFAOYSA-N 1 3 382.504 3.704 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000809973212 888031762 /nfs/dbraw/zinc/03/17/62/888031762.db2.gz KSXOQOFQZVEHJP-QFIPXVFZSA-N 1 3 375.532 3.501 20 0 GHADHO c1ccc(CN2CCC[C@@H](N(CC[NH+]3CCCC3)Cc3ccncc3)C2)cc1 ZINC000794801471 888070826 /nfs/dbraw/zinc/07/08/26/888070826.db2.gz AYUWMYBCTBOSDK-XMMPIXPASA-N 1 3 378.564 3.644 20 0 GHADHO OC1CC[NH+](Cc2ccc(CNCc3cnc4c(F)cccc4c3)cc2)CC1 ZINC000865452979 888361005 /nfs/dbraw/zinc/36/10/05/888361005.db2.gz UBZCJFKDBRJJAK-UHFFFAOYSA-N 1 3 379.479 3.620 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000810650043 888746418 /nfs/dbraw/zinc/74/64/18/888746418.db2.gz YXVFGVBYKKYSOR-RFWXGWTQSA-N 1 3 389.559 3.616 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000810650043 888746423 /nfs/dbraw/zinc/74/64/23/888746423.db2.gz YXVFGVBYKKYSOR-RFWXGWTQSA-N 1 3 389.559 3.616 20 0 GHADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)CO[C@@H]1CCCc2ccccc21 ZINC000644513818 913327085 /nfs/dbraw/zinc/32/70/85/913327085.db2.gz VJSUYJKSMBHHRV-ILBGXUMGSA-N 1 3 394.559 3.827 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000125658291 890067724 /nfs/dbraw/zinc/06/77/24/890067724.db2.gz CYKLENLWUCICNJ-JOCHJYFZSA-N 1 3 382.552 3.629 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000125658291 890067741 /nfs/dbraw/zinc/06/77/41/890067741.db2.gz CYKLENLWUCICNJ-JOCHJYFZSA-N 1 3 382.552 3.629 20 0 GHADHO CC(C)[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1cc2ccccc2o1 ZINC000873242817 891545734 /nfs/dbraw/zinc/54/57/34/891545734.db2.gz FMQSFKWWDVVLRS-JOCHJYFZSA-N 1 3 375.476 3.959 20 0 GHADHO COc1ccccc1[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)C1CCCC1 ZINC000873244025 891545821 /nfs/dbraw/zinc/54/58/21/891545821.db2.gz PFGKSBBWCWXANU-QHCPKHFHSA-N 1 3 391.519 3.756 20 0 GHADHO CN(CCCCCC[NH3+])C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000873329685 891587436 /nfs/dbraw/zinc/58/74/36/891587436.db2.gz CGQUPHDHOYLDCA-UHFFFAOYSA-N 1 3 396.963 3.796 20 0 GHADHO CN(CCN(Cc1ccccc1)C(=O)CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000261756199 892100805 /nfs/dbraw/zinc/10/08/05/892100805.db2.gz HSMOOVKZSCYUJV-OAQYLSRUSA-N 1 3 379.548 3.537 20 0 GHADHO COc1cc(NCC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1 ZINC000508723505 892989867 /nfs/dbraw/zinc/98/98/67/892989867.db2.gz XJYYCSDFUGGTQG-QUCCMNQESA-N 1 3 383.536 3.616 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000877747608 893787584 /nfs/dbraw/zinc/78/75/84/893787584.db2.gz UCRKNKXNYZBPFB-UHFFFAOYSA-N 1 3 378.564 3.666 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000563693155 894080708 /nfs/dbraw/zinc/08/07/08/894080708.db2.gz UYWSBJZOZIVCDZ-LEWJYISDSA-N 1 3 388.943 3.552 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4CC5(CO4)CCOCC5)CC[C@H]32)cc1 ZINC000878198122 894085990 /nfs/dbraw/zinc/08/59/90/894085990.db2.gz SPQUDXZTGBZPQO-XPWALMASSA-N 1 3 384.564 3.559 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4CC5(CO4)CCOCC5)CC[C@H]32)cc1 ZINC000878198122 894086003 /nfs/dbraw/zinc/08/60/03/894086003.db2.gz SPQUDXZTGBZPQO-XPWALMASSA-N 1 3 384.564 3.559 20 0 GHADHO O[C@@H](CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cn1 ZINC000878816534 894640727 /nfs/dbraw/zinc/64/07/27/894640727.db2.gz YTGDVKWNIQWOIR-QFIPXVFZSA-N 1 3 383.511 3.632 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000288893013 913926767 /nfs/dbraw/zinc/92/67/67/913926767.db2.gz AZAGNBADZGFJIU-JOCHJYFZSA-N 1 3 390.531 3.627 20 0 GHADHO CC[C@H](C)Oc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000565726523 895835701 /nfs/dbraw/zinc/83/57/01/895835701.db2.gz ZITFDRHOJBLTJJ-SFHVURJKSA-N 1 3 387.568 3.999 20 0 GHADHO [NH3+]C[C@H]1CN(CCOc2ccc(Oc3ccccc3)cc2)CC12CCOCC2 ZINC000566245553 896196998 /nfs/dbraw/zinc/19/69/98/896196998.db2.gz UWSXEDYTIAOVGV-IBGZPJMESA-N 1 3 382.504 3.545 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@@H]3C)CC2)CC1 ZINC000566441720 896316083 /nfs/dbraw/zinc/31/60/83/896316083.db2.gz JQXFAKORPIWNTO-CVDCTZTESA-N 1 3 383.580 3.587 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819283551 896527511 /nfs/dbraw/zinc/52/75/11/896527511.db2.gz KZCMLVSTYYMOLZ-ISKFKSNPSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819283551 896527523 /nfs/dbraw/zinc/52/75/23/896527523.db2.gz KZCMLVSTYYMOLZ-ISKFKSNPSA-N 1 3 382.548 3.545 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1)C1CC1 ZINC000567961202 897509397 /nfs/dbraw/zinc/50/93/97/897509397.db2.gz ANXVKDXBYHQPCT-LJQANCHMSA-N 1 3 379.548 3.921 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1)C1CC1 ZINC000567961202 897509413 /nfs/dbraw/zinc/50/94/13/897509413.db2.gz ANXVKDXBYHQPCT-LJQANCHMSA-N 1 3 379.548 3.921 20 0 GHADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(F)cc1F ZINC000568198765 897667919 /nfs/dbraw/zinc/66/79/19/897667919.db2.gz HTNZGHFJTZDWOW-OAQYLSRUSA-N 1 3 393.522 3.728 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)C1 ZINC000569442433 898668549 /nfs/dbraw/zinc/66/85/49/898668549.db2.gz NOCYOPYAVSSCMN-YLJYHZDGSA-N 1 3 375.900 3.713 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000570543021 899373341 /nfs/dbraw/zinc/37/33/41/899373341.db2.gz UXGQYGDDCQMPGU-AUSIDOKSSA-N 1 3 379.548 3.921 20 0 GHADHO C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824529473 899661335 /nfs/dbraw/zinc/66/13/35/899661335.db2.gz GMOBNDBPGYGZKF-SJORKVTESA-N 1 3 390.535 3.915 20 0 GHADHO C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824529473 899661339 /nfs/dbraw/zinc/66/13/39/899661339.db2.gz GMOBNDBPGYGZKF-SJORKVTESA-N 1 3 390.535 3.915 20 0 GHADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC001143680150 900339076 /nfs/dbraw/zinc/33/90/76/900339076.db2.gz WSNZEHKFGLKQAX-QHCPKHFHSA-N 1 3 379.548 3.748 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000289950458 914445010 /nfs/dbraw/zinc/44/50/10/914445010.db2.gz PENFWKNOJWLRJP-QUCCMNQESA-N 1 3 388.552 3.812 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000289950458 914445018 /nfs/dbraw/zinc/44/50/18/914445018.db2.gz PENFWKNOJWLRJP-QUCCMNQESA-N 1 3 388.552 3.812 20 0 GHADHO C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000575233800 901169742 /nfs/dbraw/zinc/16/97/42/901169742.db2.gz CDACKJVCDTVNFH-LAUBAEHRSA-N 1 3 375.532 3.541 20 0 GHADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000575783356 901295567 /nfs/dbraw/zinc/29/55/67/901295567.db2.gz CHLRORIDDASGLD-GOTSBHOMSA-N 1 3 393.531 3.657 20 0 GHADHO CCC[C@H]1CCCC[C@@H]1CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000576001915 901576052 /nfs/dbraw/zinc/57/60/52/901576052.db2.gz MGLMSHOUHCAWQW-PZJWPPBQSA-N 1 3 377.617 3.905 20 0 GHADHO CC(C)CO[C@@H]1CCN(Cc2cncc(C[N@@H+]3CC[C@H](OCC(C)C)C3)c2)C1 ZINC000576670987 902177298 /nfs/dbraw/zinc/17/72/98/902177298.db2.gz YYGDOTCPSWRYAO-ZRZAMGCNSA-N 1 3 389.584 3.575 20 0 GHADHO CC(C)CO[C@@H]1CCN(Cc2cncc(C[N@H+]3CC[C@H](OCC(C)C)C3)c2)C1 ZINC000576670987 902177310 /nfs/dbraw/zinc/17/73/10/902177310.db2.gz YYGDOTCPSWRYAO-ZRZAMGCNSA-N 1 3 389.584 3.575 20 0 GHADHO CC(C)CO[C@@H]1CC[N@@H+](Cc2cncc(CN3CC[C@H](OCC(C)C)C3)c2)C1 ZINC000576670987 902177317 /nfs/dbraw/zinc/17/73/17/902177317.db2.gz YYGDOTCPSWRYAO-ZRZAMGCNSA-N 1 3 389.584 3.575 20 0 GHADHO CC(C)CO[C@@H]1CC[N@H+](Cc2cncc(CN3CC[C@H](OCC(C)C)C3)c2)C1 ZINC000576670987 902177325 /nfs/dbraw/zinc/17/73/25/902177325.db2.gz YYGDOTCPSWRYAO-ZRZAMGCNSA-N 1 3 389.584 3.575 20 0 GHADHO Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893133 902338136 /nfs/dbraw/zinc/33/81/36/902338136.db2.gz WLDFKBWLSWMMNG-GVAUOCQISA-N 1 3 393.575 3.793 20 0 GHADHO Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893133 902338147 /nfs/dbraw/zinc/33/81/47/902338147.db2.gz WLDFKBWLSWMMNG-GVAUOCQISA-N 1 3 393.575 3.793 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000779016172 902881192 /nfs/dbraw/zinc/88/11/92/902881192.db2.gz ZNEVRGCEJQIZLY-VLCRHTCISA-N 1 3 399.579 3.854 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000779016172 902881207 /nfs/dbraw/zinc/88/12/07/902881207.db2.gz ZNEVRGCEJQIZLY-VLCRHTCISA-N 1 3 399.579 3.854 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000577741973 903147493 /nfs/dbraw/zinc/14/74/93/903147493.db2.gz PDLFQDBHECQOLP-YPVJZLTNSA-N 1 3 397.950 3.595 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCCC[C@@H]3c3ccncc3)CC2)CC1 ZINC000577767287 903166578 /nfs/dbraw/zinc/16/65/78/903166578.db2.gz XRNQJNOXTVSVPK-HSZRJFAPSA-N 1 3 398.595 3.722 20 0 GHADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)s1 ZINC000265120239 903645018 /nfs/dbraw/zinc/64/50/18/903645018.db2.gz FIPRESREPYOPHB-INIZCTEOSA-N 1 3 399.004 3.710 20 0 GHADHO COc1cccc([C@@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000265266123 903764482 /nfs/dbraw/zinc/76/44/82/903764482.db2.gz ZYZRAUFRHUIMKL-MOPGFXCFSA-N 1 3 395.547 3.515 20 0 GHADHO Cc1ccc(CNCc2ccccc2OCC[NH+](C)C)c(-c2cnn(C)c2)c1 ZINC000282804976 904329364 /nfs/dbraw/zinc/32/93/64/904329364.db2.gz ZSJBANCRRYULCW-UHFFFAOYSA-N 1 3 378.520 3.626 20 0 GHADHO Cn1c2ccccc2cc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1=O ZINC000579138868 904372612 /nfs/dbraw/zinc/37/26/12/904372612.db2.gz YRAQETQHPHTGDM-VWLOTQADSA-N 1 3 387.527 3.637 20 0 GHADHO Cn1c2ccccc2cc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1=O ZINC000579138868 904372631 /nfs/dbraw/zinc/37/26/31/904372631.db2.gz YRAQETQHPHTGDM-VWLOTQADSA-N 1 3 387.527 3.637 20 0 GHADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604868 904867423 /nfs/dbraw/zinc/86/74/23/904867423.db2.gz IDWRROXGHVXNBL-FCGDIQPGSA-N 1 3 379.589 3.684 20 0 GHADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604868 904867436 /nfs/dbraw/zinc/86/74/36/904867436.db2.gz IDWRROXGHVXNBL-FCGDIQPGSA-N 1 3 379.589 3.684 20 0 GHADHO CN1CC2(C1)CC[NH+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1)CC2 ZINC001171613152 904876578 /nfs/dbraw/zinc/87/65/78/904876578.db2.gz MUZQFQIDLLLVQF-ZWKOTPCHSA-N 1 3 379.589 3.828 20 0 GHADHO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC001171935798 905191515 /nfs/dbraw/zinc/19/15/15/905191515.db2.gz LFBDHLBGOVGKBF-NKDKCSAOSA-N 1 3 384.564 3.999 20 0 GHADHO O=C1CCC[C@@]2(CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)N1 ZINC001172074210 905280033 /nfs/dbraw/zinc/28/00/33/905280033.db2.gz RIUXVKZSDNYBNN-KHUIQGCPSA-N 1 3 381.564 3.707 20 0 GHADHO O=C1CCC[C@@]2(CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)N1 ZINC001172074210 905280046 /nfs/dbraw/zinc/28/00/46/905280046.db2.gz RIUXVKZSDNYBNN-KHUIQGCPSA-N 1 3 381.564 3.707 20 0 GHADHO FC1(F)CCN(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069109 905338665 /nfs/dbraw/zinc/33/86/65/905338665.db2.gz ZNIMZXXIDJWUST-MZADTFQBSA-N 1 3 377.523 3.893 20 0 GHADHO FC1(F)CCN(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069109 905338684 /nfs/dbraw/zinc/33/86/84/905338684.db2.gz ZNIMZXXIDJWUST-MZADTFQBSA-N 1 3 377.523 3.893 20 0 GHADHO COc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)ccc1OCC1CCOCC1 ZINC001172109077 905356680 /nfs/dbraw/zinc/35/66/80/905356680.db2.gz BXUTXUUUAQJKNG-MZADTFQBSA-N 1 3 388.552 3.606 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC(NC(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172115781 905367174 /nfs/dbraw/zinc/36/71/74/905367174.db2.gz ADLVZCNAKHWTIB-BWTSREIZSA-N 1 3 377.573 3.771 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@@H]3COCC3CC3)CC1)C2 ZINC001172118915 905375287 /nfs/dbraw/zinc/37/52/87/905375287.db2.gz ZEMNTFSPSCXQBF-CZYKHXBRSA-N 1 3 376.585 3.547 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]CC[C@@H]2CCCN2C)CC1 ZINC001172212531 905413955 /nfs/dbraw/zinc/41/39/55/905413955.db2.gz SOEGRMVANCJYRJ-SCCNAQOGSA-N 1 3 378.944 3.767 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000175505073 905583160 /nfs/dbraw/zinc/58/31/60/905583160.db2.gz HWCOSHGILMZKBC-UHFFFAOYSA-N 1 3 386.584 3.602 20 0 GHADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172578388 905677798 /nfs/dbraw/zinc/67/77/98/905677798.db2.gz OWWLQXHGWOOTGE-INIZCTEOSA-N 1 3 399.957 3.899 20 0 GHADHO Cc1ccc2c(c1)C[C@@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C1)CC2 ZINC001172830055 905859602 /nfs/dbraw/zinc/85/96/02/905859602.db2.gz AWLWRJGUOLTEDY-ROHNOIKCSA-N 1 3 392.591 3.922 20 0 GHADHO Cc1ccc2c(c1)C[C@@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C1)CC2 ZINC001172830055 905859615 /nfs/dbraw/zinc/85/96/15/905859615.db2.gz AWLWRJGUOLTEDY-ROHNOIKCSA-N 1 3 392.591 3.922 20 0 GHADHO Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)C)C1)CC2 ZINC001172830055 905859623 /nfs/dbraw/zinc/85/96/23/905859623.db2.gz AWLWRJGUOLTEDY-ROHNOIKCSA-N 1 3 392.591 3.922 20 0 GHADHO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)C)C1)CC2 ZINC001172830055 905859634 /nfs/dbraw/zinc/85/96/34/905859634.db2.gz AWLWRJGUOLTEDY-ROHNOIKCSA-N 1 3 392.591 3.922 20 0 GHADHO CO[C@@H]1CCC[C@@H]([NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001172933936 906002173 /nfs/dbraw/zinc/00/21/73/906002173.db2.gz CCFCEQOAWWAPTO-GUDVDZBRSA-N 1 3 378.582 3.761 20 0 GHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001173076815 906173982 /nfs/dbraw/zinc/17/39/82/906173982.db2.gz WPZRGKIXUAUDDA-KBAYOESNSA-N 1 3 386.458 3.749 20 0 GHADHO COc1ccc(C(=O)N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)cc1 ZINC001173401023 906428373 /nfs/dbraw/zinc/42/83/73/906428373.db2.gz ATRHTTHIGISCSQ-UHFFFAOYSA-N 1 3 399.579 3.687 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC001173599842 906552170 /nfs/dbraw/zinc/55/21/70/906552170.db2.gz RNKBOWLYYSQNGP-LYOWHUEQSA-N 1 3 396.575 3.999 20 0 GHADHO CCN1CCN(CCC[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)CC1 ZINC000181944313 907103847 /nfs/dbraw/zinc/10/38/47/907103847.db2.gz ZJHLUSBVELJSAT-UHFFFAOYSA-N 1 3 387.612 3.557 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCSC5)C4)[C@@H]3C2)cc1 ZINC000183154359 907337653 /nfs/dbraw/zinc/33/76/53/907337653.db2.gz JGNFUCXMGFATOQ-BVAFDOMYSA-N 1 3 386.605 3.931 20 0 GHADHO COc1cccc2c1OCCC[C@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000631582965 907767126 /nfs/dbraw/zinc/76/71/26/907767126.db2.gz UOJKZAGPRDMSAN-JOCHJYFZSA-N 1 3 396.531 3.655 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCS2 ZINC000188445872 908213186 /nfs/dbraw/zinc/21/31/86/908213186.db2.gz JPZQDYBYFLZYOS-UGKGYDQZSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCS2 ZINC000188445872 908213197 /nfs/dbraw/zinc/21/31/97/908213197.db2.gz JPZQDYBYFLZYOS-UGKGYDQZSA-N 1 3 398.572 3.979 20 0 GHADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(C(=O)NC3CC3)cc2)[C@@H]1c1cccs1 ZINC001177920287 908804345 /nfs/dbraw/zinc/80/43/45/908804345.db2.gz RTNQRZOMXLFLQX-GHTZIAJQSA-N 1 3 383.561 3.813 20 0 GHADHO C[N@H+]1CCC[C@@H](CNCc2ccc(C(=O)NC3CC3)cc2)[C@@H]1c1cccs1 ZINC001177920287 908804373 /nfs/dbraw/zinc/80/43/73/908804373.db2.gz RTNQRZOMXLFLQX-GHTZIAJQSA-N 1 3 383.561 3.813 20 0 GHADHO C[NH+](C)CCC(C)(C)NC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178593058 909115709 /nfs/dbraw/zinc/11/57/09/909115709.db2.gz FVAWSSZFCCIHPE-UHFFFAOYSA-N 1 3 379.548 3.554 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H](c3nc(CC)no3)C2)CC1 ZINC001179722534 909682661 /nfs/dbraw/zinc/68/26/61/909682661.db2.gz MJGVEZAAHNTJIA-UYAOXDASSA-N 1 3 397.567 3.590 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(CN3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268779183 910011422 /nfs/dbraw/zinc/01/14/22/910011422.db2.gz HXKYMNSDVKLBSE-HYBUGGRVSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(CN3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268779183 910011443 /nfs/dbraw/zinc/01/14/43/910011443.db2.gz HXKYMNSDVKLBSE-HYBUGGRVSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000268822914 910034707 /nfs/dbraw/zinc/03/47/07/910034707.db2.gz YDCIEHIAXYDFOJ-GBXCKJPGSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000268822914 910034720 /nfs/dbraw/zinc/03/47/20/910034720.db2.gz YDCIEHIAXYDFOJ-GBXCKJPGSA-N 1 3 391.559 3.809 20 0 GHADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc(OC)c1O ZINC000269343381 910226591 /nfs/dbraw/zinc/22/65/91/910226591.db2.gz KZLVCCISJFIDCP-IHWFROFDSA-N 1 3 382.504 3.695 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2cccc(CO)c2)cc1OC ZINC000270413340 910555809 /nfs/dbraw/zinc/55/58/09/910555809.db2.gz CSRFGNUNCXXQFI-GOSISDBHSA-N 1 3 386.536 3.759 20 0 GHADHO O=C(CC1CC[NH+](Cc2ccccc2)CC1)NCCc1c[nH]c2ccncc12 ZINC001182044984 911145952 /nfs/dbraw/zinc/14/59/52/911145952.db2.gz JUJJRGWDNSBWAZ-UHFFFAOYSA-N 1 3 376.504 3.524 20 0 GHADHO O[C@@H](CNC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000641915215 911594685 /nfs/dbraw/zinc/59/46/85/911594685.db2.gz WCMOVLPFEZDBOL-PXNSSMCTSA-N 1 3 397.950 4.000 20 0 GHADHO C[NH+](C)CC[C@H](NC[C@@H](O)c1ccc(F)c(Br)c1)C(C)(C)C ZINC000819080746 911884338 /nfs/dbraw/zinc/88/43/38/911884338.db2.gz IDMHQLZGMFPLSP-CVEARBPZSA-N 1 3 375.326 3.578 20 0 GHADHO C[NH+]1CCC(c2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)cc2)CC1 ZINC001188301866 915902962 /nfs/dbraw/zinc/90/29/62/915902962.db2.gz WYIQTRLWZKZTIJ-UHFFFAOYSA-N 1 3 383.580 3.834 20 0 GHADHO CCCCOc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1OC ZINC000650722257 917250089 /nfs/dbraw/zinc/25/00/89/917250089.db2.gz OBCJWMUNZSBQPZ-SBHAEUEKSA-N 1 3 376.541 3.735 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)ccc1OC ZINC000775390847 917362035 /nfs/dbraw/zinc/36/20/35/917362035.db2.gz QIANHDNUYWHNSW-GOSISDBHSA-N 1 3 389.584 3.836 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445337 917379816 /nfs/dbraw/zinc/37/98/16/917379816.db2.gz TVZJHLHNKDTNSO-XUZZJYLKSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445337 917379828 /nfs/dbraw/zinc/37/98/28/917379828.db2.gz TVZJHLHNKDTNSO-XUZZJYLKSA-N 1 3 399.579 3.841 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)[C@H]3c3ccccc3)CC2)CC1 ZINC000654587406 919235047 /nfs/dbraw/zinc/23/50/47/919235047.db2.gz SMULUFBWIHKWCQ-JOCHJYFZSA-N 1 3 383.580 3.792 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]Cc3ccccn3)CC2)c1 ZINC000119503263 919635677 /nfs/dbraw/zinc/63/56/77/919635677.db2.gz HIQDLHFZOXQQGO-UHFFFAOYSA-N 1 3 392.469 3.792 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000902505865 922245989 /nfs/dbraw/zinc/24/59/89/922245989.db2.gz VVSHTXMEXJNTCS-NYDSKATKSA-N 1 3 379.504 3.558 20 0 GHADHO COc1cccc([C@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146212 922807468 /nfs/dbraw/zinc/80/74/68/922807468.db2.gz DUEDAAFUINEHIX-VOOYOBANSA-N 1 3 381.564 3.720 20 0 GHADHO COc1cccc([C@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146212 922807475 /nfs/dbraw/zinc/80/74/75/922807475.db2.gz DUEDAAFUINEHIX-VOOYOBANSA-N 1 3 381.564 3.720 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199834 922848552 /nfs/dbraw/zinc/84/85/52/922848552.db2.gz NHQPRYVRIJZIDA-QPPBQGQZSA-N 1 3 398.522 3.650 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199834 922848562 /nfs/dbraw/zinc/84/85/62/922848562.db2.gz NHQPRYVRIJZIDA-QPPBQGQZSA-N 1 3 398.522 3.650 20 0 GHADHO CCOc1ccc(-c2nc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)cc1OC ZINC000903495114 923073271 /nfs/dbraw/zinc/07/32/71/923073271.db2.gz VUBQYSPEICAFFH-GDBMZVCRSA-N 1 3 375.538 3.634 20 0 GHADHO CCCN(C(=O)c1cccs1)C1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000370757622 924288495 /nfs/dbraw/zinc/28/84/95/924288495.db2.gz OQVJCOHWKURDAH-SFHVURJKSA-N 1 3 377.598 3.939 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000680271012 925417337 /nfs/dbraw/zinc/41/73/37/925417337.db2.gz UFNRTEUGHCGKDM-KMDXXIMOSA-N 1 3 391.559 3.779 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000680271012 925417339 /nfs/dbraw/zinc/41/73/39/925417339.db2.gz UFNRTEUGHCGKDM-KMDXXIMOSA-N 1 3 391.559 3.779 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000680431878 925475817 /nfs/dbraw/zinc/47/58/17/925475817.db2.gz MQYYLZBZODWVNJ-UHFFFAOYSA-N 1 3 397.529 3.988 20 0 GHADHO CCC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1cccc(C(F)(F)F)c1 ZINC000411462658 926418560 /nfs/dbraw/zinc/41/85/60/926418560.db2.gz YOZPGQBWWRBVAW-GOSISDBHSA-N 1 3 385.474 3.737 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546164166 929919981 /nfs/dbraw/zinc/91/99/81/929919981.db2.gz ZOUVHRVKMRAVSN-QFIPXVFZSA-N 1 3 386.971 3.636 20 0 GHADHO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Nc2ccncc2)cc1 ZINC000469511262 929954756 /nfs/dbraw/zinc/95/47/56/929954756.db2.gz YVVKCIKPEQKHOL-HSZRJFAPSA-N 1 3 386.499 3.642 20 0 GHADHO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Nc2ccncc2)cc1 ZINC000469511262 929954764 /nfs/dbraw/zinc/95/47/64/929954764.db2.gz YVVKCIKPEQKHOL-HSZRJFAPSA-N 1 3 386.499 3.642 20 0 GHADHO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000469997698 930305359 /nfs/dbraw/zinc/30/53/59/930305359.db2.gz CAWFEMMQODUCHQ-CYBMUJFWSA-N 1 3 377.330 3.502 20 0 GHADHO C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000470236060 930475562 /nfs/dbraw/zinc/47/55/62/930475562.db2.gz CLZXGZXDSNXSAN-YKSBVNFPSA-N 1 3 397.607 3.520 20 0 GHADHO C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000470236060 930475566 /nfs/dbraw/zinc/47/55/66/930475566.db2.gz CLZXGZXDSNXSAN-YKSBVNFPSA-N 1 3 397.607 3.520 20 0 GHADHO Cc1cccc(C)c1[C@@H](C)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000546930569 930538774 /nfs/dbraw/zinc/53/87/74/930538774.db2.gz FKNPSVQZPPELPT-HXUWFJFHSA-N 1 3 379.548 3.866 20 0 GHADHO CN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470735859 930868825 /nfs/dbraw/zinc/86/88/25/930868825.db2.gz DNNVYXITIZGDHV-QHCPKHFHSA-N 1 3 394.563 3.554 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611630 931444832 /nfs/dbraw/zinc/44/48/32/931444832.db2.gz ZFBUMRCAVZHXHE-CEXWTWQISA-N 1 3 382.552 3.679 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611630 931444836 /nfs/dbraw/zinc/44/48/36/931444836.db2.gz ZFBUMRCAVZHXHE-CEXWTWQISA-N 1 3 382.552 3.679 20 0 GHADHO CN1CCC([N@@H+]2CC[C@@H](N[C@H](c3cccc(Cl)c3)c3ccccn3)C2)CC1 ZINC000925040955 931622122 /nfs/dbraw/zinc/62/21/22/931622122.db2.gz LRWHNFTVWVCTGY-DENIHFKCSA-N 1 3 384.955 3.583 20 0 GHADHO CN1CCC([N@H+]2CC[C@@H](N[C@H](c3cccc(Cl)c3)c3ccccn3)C2)CC1 ZINC000925040955 931622127 /nfs/dbraw/zinc/62/21/27/931622127.db2.gz LRWHNFTVWVCTGY-DENIHFKCSA-N 1 3 384.955 3.583 20 0 GHADHO CN(CCCN(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccco1 ZINC000557762348 931666489 /nfs/dbraw/zinc/66/64/89/931666489.db2.gz OCBAZHIMLMPSBO-QFIPXVFZSA-N 1 3 398.551 3.580 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348940 932607411 /nfs/dbraw/zinc/60/74/11/932607411.db2.gz JKDOPXPBTPXJIF-ISKFKSNPSA-N 1 3 394.563 3.501 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348940 932607415 /nfs/dbraw/zinc/60/74/15/932607415.db2.gz JKDOPXPBTPXJIF-ISKFKSNPSA-N 1 3 394.563 3.501 20 0 GHADHO C[NH+]1CCC2(CCCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)C2)CC1 ZINC000799177516 932899079 /nfs/dbraw/zinc/89/90/79/932899079.db2.gz TVMLNBQXFIDZEU-QHCPKHFHSA-N 1 3 391.559 3.852 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(Cl)n1 ZINC000828622538 935677971 /nfs/dbraw/zinc/67/79/71/935677971.db2.gz ZQSOSGYDMHPDMZ-PKOBYXMFSA-N 1 3 392.975 3.548 20 0 GHADHO Cc1ccc(Cl)cc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910524 1014572784 /nfs/dbraw/zinc/57/27/84/1014572784.db2.gz FPSYRPNCXRMLHR-IBGZPJMESA-N 1 3 394.906 3.887 20 0 GHADHO Cc1ccc(Cl)cc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910524 1014572797 /nfs/dbraw/zinc/57/27/97/1014572797.db2.gz FPSYRPNCXRMLHR-IBGZPJMESA-N 1 3 394.906 3.887 20 0 GHADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@]12CCCO2 ZINC000546163848 1016570162 /nfs/dbraw/zinc/57/01/62/1016570162.db2.gz SGHGBGIUQRHOQV-JHXGOWNISA-N 1 3 384.564 3.603 20 0 GHADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[C@]12CCCO2 ZINC000546163848 1016570173 /nfs/dbraw/zinc/57/01/73/1016570173.db2.gz SGHGBGIUQRHOQV-JHXGOWNISA-N 1 3 384.564 3.603 20 0 GHADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[C@]12CCCO2 ZINC000546163848 1016570179 /nfs/dbraw/zinc/57/01/79/1016570179.db2.gz SGHGBGIUQRHOQV-JHXGOWNISA-N 1 3 384.564 3.603 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC001220883022 1032172360 /nfs/dbraw/zinc/17/23/60/1032172360.db2.gz GHOPOEPBOBTYOT-WMZHIEFXSA-N 1 3 398.595 3.735 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC001220883022 1032172367 /nfs/dbraw/zinc/17/23/67/1032172367.db2.gz GHOPOEPBOBTYOT-WMZHIEFXSA-N 1 3 398.595 3.735 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001221063326 1032262370 /nfs/dbraw/zinc/26/23/70/1032262370.db2.gz RVJFZDPTXBFMKG-VJBWXMMDSA-N 1 3 377.532 3.508 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H]1CCCc2cccnc21 ZINC001227160552 1032300900 /nfs/dbraw/zinc/30/09/00/1032300900.db2.gz JFWFWRHODSMXOC-JOCHJYFZSA-N 1 3 396.579 3.723 20 0 GHADHO N[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221204583 1032329685 /nfs/dbraw/zinc/32/96/85/1032329685.db2.gz KRMYXKUEFVDKPZ-GOTSBHOMSA-N 1 3 397.538 3.723 20 0 GHADHO CCOC(=O)CCN(Cc1ccccc1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204264962 1032707223 /nfs/dbraw/zinc/70/72/23/1032707223.db2.gz ZFRPDZRENQSMOB-UHFFFAOYSA-N 1 3 398.547 3.973 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001204271114 1032715391 /nfs/dbraw/zinc/71/53/91/1032715391.db2.gz DZVAYFVRORUOAO-IBGZPJMESA-N 1 3 376.541 3.571 20 0 GHADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000567684614 1019331982 /nfs/dbraw/zinc/33/19/82/1019331982.db2.gz MSSBOIFXFVXOSW-ZRBLBEILSA-N 1 3 382.548 3.616 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000567684614 1019331989 /nfs/dbraw/zinc/33/19/89/1019331989.db2.gz MSSBOIFXFVXOSW-ZRBLBEILSA-N 1 3 382.548 3.616 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)cc3NC(C)C)CC2)CC1 ZINC000568528376 1019416879 /nfs/dbraw/zinc/41/68/79/1019416879.db2.gz CQEANTIAWAKNNL-UHFFFAOYSA-N 1 3 390.547 3.781 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000569352587 1019479475 /nfs/dbraw/zinc/47/94/75/1019479475.db2.gz WASVATHCEYJYIX-QKNQBKEWSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000569352587 1019479480 /nfs/dbraw/zinc/47/94/80/1019479480.db2.gz WASVATHCEYJYIX-QKNQBKEWSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000569352588 1019480040 /nfs/dbraw/zinc/48/00/40/1019480040.db2.gz WASVATHCEYJYIX-SBHAEUEKSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000569352588 1019480050 /nfs/dbraw/zinc/48/00/50/1019480050.db2.gz WASVATHCEYJYIX-SBHAEUEKSA-N 1 3 388.577 3.777 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000575154229 1019927829 /nfs/dbraw/zinc/92/78/29/1019927829.db2.gz BISWHEVXOCITQE-YPGOJHLTSA-N 1 3 378.520 3.568 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000575154229 1019927831 /nfs/dbraw/zinc/92/78/31/1019927831.db2.gz BISWHEVXOCITQE-YPGOJHLTSA-N 1 3 378.520 3.568 20 0 GHADHO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000600932289 1020278458 /nfs/dbraw/zinc/27/84/58/1020278458.db2.gz ZJYMVUHUDYLTCI-FQEVSTJZSA-N 1 3 393.575 3.708 20 0 GHADHO O[C@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439874 1020791483 /nfs/dbraw/zinc/79/14/83/1020791483.db2.gz YVVNJWSKWYBOAE-UCKMRUJXSA-N 1 3 376.544 3.996 20 0 GHADHO O[C@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439874 1020791490 /nfs/dbraw/zinc/79/14/90/1020791490.db2.gz YVVNJWSKWYBOAE-UCKMRUJXSA-N 1 3 376.544 3.996 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(CC(F)(F)F)cc2)C1 ZINC000631109916 1020861423 /nfs/dbraw/zinc/86/14/23/1020861423.db2.gz IKNROZMIAHNGPE-FQEVSTJZSA-N 1 3 378.438 3.648 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(CC(F)(F)F)cc2)C1 ZINC000631109916 1020861434 /nfs/dbraw/zinc/86/14/34/1020861434.db2.gz IKNROZMIAHNGPE-FQEVSTJZSA-N 1 3 378.438 3.648 20 0 GHADHO Cc1nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc(N2CCCC2)n1 ZINC001156313826 1032975358 /nfs/dbraw/zinc/97/53/58/1032975358.db2.gz CUNHQSYVRUCUTL-NJDAHSKKSA-N 1 3 377.536 3.708 20 0 GHADHO Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc(N2CCCC2)n1 ZINC001156313826 1032975364 /nfs/dbraw/zinc/97/53/64/1032975364.db2.gz CUNHQSYVRUCUTL-NJDAHSKKSA-N 1 3 377.536 3.708 20 0 GHADHO CCC(=O)N(c1ccccc1)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001204756049 1033068645 /nfs/dbraw/zinc/06/86/45/1033068645.db2.gz KIULSXSOWQCETL-UHFFFAOYSA-N 1 3 377.532 3.740 20 0 GHADHO COC(=O)c1ccc2c(C[NH+]3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)c[nH]c2c1 ZINC001138266321 1024503060 /nfs/dbraw/zinc/50/30/60/1024503060.db2.gz PXJKBCKEGFEMMY-NHCUHLMSSA-N 1 3 389.499 3.518 20 0 GHADHO Cc1cc([C@H]([NH3+])CC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc(Cl)n1 ZINC000831933457 1025035428 /nfs/dbraw/zinc/03/54/28/1025035428.db2.gz JBKNOTZFOLLPCU-IAGOWNOFSA-N 1 3 395.334 3.506 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738808 1025276019 /nfs/dbraw/zinc/27/60/19/1025276019.db2.gz DCRRPIVLBUKWGP-BAGYTPMASA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738808 1025276032 /nfs/dbraw/zinc/27/60/32/1025276032.db2.gz DCRRPIVLBUKWGP-BAGYTPMASA-N 1 3 375.520 3.690 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738810 1025277012 /nfs/dbraw/zinc/27/70/12/1025277012.db2.gz DCRRPIVLBUKWGP-ILWGZMRPSA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738810 1025277019 /nfs/dbraw/zinc/27/70/19/1025277019.db2.gz DCRRPIVLBUKWGP-ILWGZMRPSA-N 1 3 375.520 3.690 20 0 GHADHO COC[C@@H](C)N(Cc1ccc(OCC[NH+](C)C)cc1)Cc1cccc(OC)c1 ZINC001138773208 1025343389 /nfs/dbraw/zinc/34/33/89/1025343389.db2.gz WECKZSAOPFXGQC-LJQANCHMSA-N 1 3 386.536 3.673 20 0 GHADHO Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CCN(C)CC3)cc1)CC21CC[NH2+]CC1 ZINC001163034888 1026017264 /nfs/dbraw/zinc/01/72/64/1026017264.db2.gz XIZVCSXRFDWJNB-DEOSSOPVSA-N 1 3 390.575 3.925 20 0 GHADHO c1ncn(-c2ccc(CN3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc2)n1 ZINC001139333342 1026192484 /nfs/dbraw/zinc/19/24/84/1026192484.db2.gz QDRIOXKHEJBOCD-XWVZOOPGSA-N 1 3 389.547 3.662 20 0 GHADHO c1ncn(-c2ccc(CN3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc2)n1 ZINC001139333342 1026192490 /nfs/dbraw/zinc/19/24/90/1026192490.db2.gz QDRIOXKHEJBOCD-XWVZOOPGSA-N 1 3 389.547 3.662 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CCCO1 ZINC001139515541 1026373623 /nfs/dbraw/zinc/37/36/23/1026373623.db2.gz QWJQMKRDSXYVMA-OAQYLSRUSA-N 1 3 379.548 3.620 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CCCO1 ZINC001139515541 1026373634 /nfs/dbraw/zinc/37/36/34/1026373634.db2.gz QWJQMKRDSXYVMA-OAQYLSRUSA-N 1 3 379.548 3.620 20 0 GHADHO CN(C)C1(CNc2ccc(OCCCc3ccccn3)cc2)CC[NH+](C)CC1 ZINC001164212815 1026454547 /nfs/dbraw/zinc/45/45/47/1026454547.db2.gz FBQGQLHZWODGEV-UHFFFAOYSA-N 1 3 382.552 3.531 20 0 GHADHO COc1cc(OC)c(CN2CCC3(CC2)CC[NH+](C)CC3)cc1Br ZINC001139862708 1026674952 /nfs/dbraw/zinc/67/49/52/1026674952.db2.gz DTSMHTYTGTWYHH-UHFFFAOYSA-N 1 3 397.357 3.774 20 0 GHADHO Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001140022071 1026807220 /nfs/dbraw/zinc/80/72/20/1026807220.db2.gz YUJKQDBMRUGOJF-QHCPKHFHSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001140022071 1026807226 /nfs/dbraw/zinc/80/72/26/1026807226.db2.gz YUJKQDBMRUGOJF-QHCPKHFHSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccccc1CN1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001140022071 1026807230 /nfs/dbraw/zinc/80/72/30/1026807230.db2.gz YUJKQDBMRUGOJF-QHCPKHFHSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccccc1CN1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001140022071 1026807243 /nfs/dbraw/zinc/80/72/43/1026807243.db2.gz YUJKQDBMRUGOJF-QHCPKHFHSA-N 1 3 382.552 3.504 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCSCCC(F)(F)F)CC1 ZINC001203390167 1027305993 /nfs/dbraw/zinc/30/59/93/1027305993.db2.gz UNLFJWBOHJWLAU-UHFFFAOYSA-N 1 3 389.531 3.994 20 0 GHADHO CC(C)[C@@H](CNC(=O)N[C@H](C)CN(C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC001211244132 1027854078 /nfs/dbraw/zinc/85/40/78/1027854078.db2.gz DFXCFNOPVCLPBC-IFMALSPDSA-N 1 3 388.600 3.563 20 0 GHADHO COc1cc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)ccc1OCc1ccc(F)cc1 ZINC001204089775 1027867632 /nfs/dbraw/zinc/86/76/32/1027867632.db2.gz QOOCNDHSOVZVEM-SESVDKBCSA-N 1 3 384.495 3.843 20 0 GHADHO CC(C)(C)OC(=O)NC1(CNCc2ccoc2)CC[NH+](Cc2ccccc2)CC1 ZINC000840971359 1028006254 /nfs/dbraw/zinc/00/62/54/1028006254.db2.gz LWLYAOTXYNUCPA-UHFFFAOYSA-N 1 3 399.535 3.929 20 0 GHADHO c1cc(C[N@H+]2CCC3(C2)CCN(Cc2ccc4c(c2)OCCCO4)CC3)co1 ZINC001142262547 1028518283 /nfs/dbraw/zinc/51/82/83/1028518283.db2.gz HPPMPPOKPKJCAM-UHFFFAOYSA-N 1 3 382.504 3.929 20 0 GHADHO c1cc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc4c(c2)OCCCO4)CC3)co1 ZINC001142262547 1028518299 /nfs/dbraw/zinc/51/82/99/1028518299.db2.gz HPPMPPOKPKJCAM-UHFFFAOYSA-N 1 3 382.504 3.929 20 0 GHADHO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142910700 1029675798 /nfs/dbraw/zinc/67/57/98/1029675798.db2.gz KKRDYBCGSHNPDZ-VWLOTQADSA-N 1 3 392.543 3.890 20 0 GHADHO COC(=O)Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142910700 1029675808 /nfs/dbraw/zinc/67/58/08/1029675808.db2.gz KKRDYBCGSHNPDZ-VWLOTQADSA-N 1 3 392.543 3.890 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)sc2c1 ZINC000843125340 1029816796 /nfs/dbraw/zinc/81/67/96/1029816796.db2.gz SOLWUVRVBBNGJT-OLZOCXBDSA-N 1 3 380.355 3.880 20 0 GHADHO CC(C)n1ncc2cc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c(Cl)nc21 ZINC000843127715 1029817685 /nfs/dbraw/zinc/81/76/85/1029817685.db2.gz SRICXXKDIRQISX-CVEARBPZSA-N 1 3 375.948 3.877 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1scc3c1OCCO3)CC2 ZINC001143185620 1029889461 /nfs/dbraw/zinc/88/94/61/1029889461.db2.gz LKSHKBDCJFGBQA-LJQANCHMSA-N 1 3 388.533 3.989 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1scc3c1OCCO3)CC2 ZINC001143185620 1029889469 /nfs/dbraw/zinc/88/94/69/1029889469.db2.gz LKSHKBDCJFGBQA-LJQANCHMSA-N 1 3 388.533 3.989 20 0 GHADHO Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC001461590916 1069626998 /nfs/dbraw/zinc/62/69/98/1069626998.db2.gz UZQJXGQYNWVYTI-RTWAWAEBSA-N 1 3 378.495 3.755 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC001221946498 1029902154 /nfs/dbraw/zinc/90/21/54/1029902154.db2.gz WLSBTWXEGVLFQY-GJJHYRHESA-N 1 3 394.991 3.608 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC001221946498 1029902157 /nfs/dbraw/zinc/90/21/57/1029902157.db2.gz WLSBTWXEGVLFQY-GJJHYRHESA-N 1 3 394.991 3.608 20 0 GHADHO Cc1nc2ccc(-c3ccccc3)cn2c1CN1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407477 1030112909 /nfs/dbraw/zinc/11/29/09/1030112909.db2.gz JBLVVQHJNKLNKA-UHFFFAOYSA-N 1 3 390.531 3.512 20 0 GHADHO C[N@H+](Cc1ccccc1NC(=O)C1(N)Cc2ccccc2C1)C1CCCCC1 ZINC001219023462 1031216736 /nfs/dbraw/zinc/21/67/36/1031216736.db2.gz DJMIHLSLMDQEMC-UHFFFAOYSA-N 1 3 377.532 3.886 20 0 GHADHO C[N@@H+](Cc1ccccc1NC(=O)C1(N)Cc2ccccc2C1)C1CCCCC1 ZINC001219023462 1031216747 /nfs/dbraw/zinc/21/67/47/1031216747.db2.gz DJMIHLSLMDQEMC-UHFFFAOYSA-N 1 3 377.532 3.886 20 0 GHADHO O=C(NCCN1CCC(Cc2ccccc2)CC1)C1(CC2CCC2)CC[NH2+]CC1 ZINC001219669252 1031549254 /nfs/dbraw/zinc/54/92/54/1031549254.db2.gz RHFSFLDCEFVEDH-UHFFFAOYSA-N 1 3 397.607 3.617 20 0 GHADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219952066 1031714618 /nfs/dbraw/zinc/71/46/18/1031714618.db2.gz NCHDKTNYWRQIAH-HSZRJFAPSA-N 1 3 379.548 3.652 20 0 GHADHO COc1cc2cccnc2c(N(C(=O)[C@@H](N)C2CCCCC2)[C@@H](C)CCC[NH3+])c1 ZINC001220033718 1031751807 /nfs/dbraw/zinc/75/18/07/1031751807.db2.gz PRFRIHHRCZUDEH-KKSFZXQISA-N 1 3 398.551 3.611 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC001220634465 1032034464 /nfs/dbraw/zinc/03/44/64/1032034464.db2.gz WWGXZEGWZCXCLD-DENIHFKCSA-N 1 3 388.600 3.519 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC001220634465 1032034475 /nfs/dbraw/zinc/03/44/75/1032034475.db2.gz WWGXZEGWZCXCLD-DENIHFKCSA-N 1 3 388.600 3.519 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NCCCCC[NH+]3CCCC3)CC2)CC1 ZINC001229200458 1033336073 /nfs/dbraw/zinc/33/60/73/1033336073.db2.gz VJJJQGOUBXSUPG-UHFFFAOYSA-N 1 3 392.632 3.795 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001156965183 1033346053 /nfs/dbraw/zinc/34/60/53/1033346053.db2.gz SMBONBYOPLCCBS-CTNGQTDRSA-N 1 3 399.579 3.687 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001156965183 1033346070 /nfs/dbraw/zinc/34/60/70/1033346070.db2.gz SMBONBYOPLCCBS-CTNGQTDRSA-N 1 3 399.579 3.687 20 0 GHADHO C[C@@H]1CCN(Cc2cc(OC(F)F)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205651280 1033511561 /nfs/dbraw/zinc/51/15/61/1033511561.db2.gz CCEAXVNFRVPNRJ-VXGBXAGGSA-N 1 3 377.273 3.857 20 0 GHADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC001205726135 1033549054 /nfs/dbraw/zinc/54/90/54/1033549054.db2.gz OZVMRAOSDSWUTN-HXUWFJFHSA-N 1 3 394.437 3.928 20 0 GHADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC001205726135 1033549069 /nfs/dbraw/zinc/54/90/69/1033549069.db2.gz OZVMRAOSDSWUTN-HXUWFJFHSA-N 1 3 394.437 3.928 20 0 GHADHO COc1cccc(CN2CCC(C[NH3+])(c3ccccc3)CC2)c1Br ZINC001206760957 1033973443 /nfs/dbraw/zinc/97/34/43/1033973443.db2.gz PKVBHMFGGGRFFB-UHFFFAOYSA-N 1 3 389.337 3.950 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c(F)cncc1F)CC2 ZINC001206857968 1034036421 /nfs/dbraw/zinc/03/64/21/1034036421.db2.gz IZSNVNRKUXDWDD-SFHVURJKSA-N 1 3 387.474 3.615 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c(F)cncc1F)CC2 ZINC001206857968 1034036432 /nfs/dbraw/zinc/03/64/32/1034036432.db2.gz IZSNVNRKUXDWDD-SFHVURJKSA-N 1 3 387.474 3.615 20 0 GHADHO C[NH+]1CCC(N(Cc2ccc(F)cc2)c2ncccc2CN2CCCC2)CC1 ZINC001158454008 1034084903 /nfs/dbraw/zinc/08/49/03/1034084903.db2.gz LDLAUXZOLCKBSI-UHFFFAOYSA-N 1 3 382.527 3.917 20 0 GHADHO O=C(OCc1ccccc1)N1CC[C@H](NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207185567 1034155072 /nfs/dbraw/zinc/15/50/72/1034155072.db2.gz PEFNAMACLNGPEI-RBBKRZOGSA-N 1 3 385.552 3.784 20 0 GHADHO O=C(OCc1ccccc1)N1CC[C@H](NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207185567 1034155077 /nfs/dbraw/zinc/15/50/77/1034155077.db2.gz PEFNAMACLNGPEI-RBBKRZOGSA-N 1 3 385.552 3.784 20 0 GHADHO Clc1cccc(CCC[N@@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001207589201 1034467648 /nfs/dbraw/zinc/46/76/48/1034467648.db2.gz GLTZCKHWHIYNMR-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO Clc1cccc(CCC[N@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001207589201 1034467653 /nfs/dbraw/zinc/46/76/53/1034467653.db2.gz GLTZCKHWHIYNMR-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001231264259 1034492576 /nfs/dbraw/zinc/49/25/76/1034492576.db2.gz VEZJBPBXAWHPOY-UNMCSNQZSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001231264259 1034492593 /nfs/dbraw/zinc/49/25/93/1034492593.db2.gz VEZJBPBXAWHPOY-UNMCSNQZSA-N 1 3 398.595 3.699 20 0 GHADHO COc1ccc(Cl)nc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159461242 1034605906 /nfs/dbraw/zinc/60/59/06/1034605906.db2.gz QXYJOJWZLGTRHV-UHFFFAOYSA-N 1 3 384.911 3.653 20 0 GHADHO CCCCc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncn1 ZINC001159467197 1034609890 /nfs/dbraw/zinc/60/98/90/1034609890.db2.gz OGSBGZCWTWNWCV-UHFFFAOYSA-N 1 3 377.536 3.729 20 0 GHADHO COc1ccnc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001159514547 1034629938 /nfs/dbraw/zinc/62/99/38/1034629938.db2.gz CNTFTDORFJQGAJ-OAQYLSRUSA-N 1 3 377.488 3.565 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cccnc13)CC2 ZINC001231488971 1034632757 /nfs/dbraw/zinc/63/27/57/1034632757.db2.gz OEPOBQIRISSREN-GOSISDBHSA-N 1 3 396.560 3.880 20 0 GHADHO Fc1cc(Nc2ccc(CN3CC[NH2+]CC3)cc2)ccc1CN1CCCCC1 ZINC001159571088 1034670676 /nfs/dbraw/zinc/67/06/76/1034670676.db2.gz HGRXAQNXKWVSPR-UHFFFAOYSA-N 1 3 382.527 3.960 20 0 GHADHO CCN1CCN(c2ccc(Nc3ccc(O[C@H]4CCC[NH2+]C4)cc3)cc2)CC1 ZINC001159948122 1034796534 /nfs/dbraw/zinc/79/65/34/1034796534.db2.gz DWMHLTOMAIDUHZ-QHCPKHFHSA-N 1 3 380.536 3.703 20 0 GHADHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC[C@@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208653 1034799651 /nfs/dbraw/zinc/79/96/51/1034799651.db2.gz DIAKIVQSRNZNBH-VQTJNVASSA-N 1 3 396.616 3.957 20 0 GHADHO COC(=O)[C@@H]1CCC[N@H+](C2CCN(CC[C@@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208653 1034799661 /nfs/dbraw/zinc/79/96/61/1034799661.db2.gz DIAKIVQSRNZNBH-VQTJNVASSA-N 1 3 396.616 3.957 20 0 GHADHO Cc1cccc2cc(CN3CCN(CC4CC[NH+](C)CC4)CC3)c(Cl)nc12 ZINC001231648450 1034805701 /nfs/dbraw/zinc/80/57/01/1034805701.db2.gz DNNMUIJEKKHYGB-UHFFFAOYSA-N 1 3 386.971 3.656 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc4cc[nH]c4cn3)C[C@@H]21 ZINC001231668479 1034823931 /nfs/dbraw/zinc/82/39/31/1034823931.db2.gz WMTNERMULIKVTO-AVCGJXAMSA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc4cc[nH]c4cn3)C[C@@H]21 ZINC001231668479 1034823941 /nfs/dbraw/zinc/82/39/41/1034823941.db2.gz WMTNERMULIKVTO-AVCGJXAMSA-N 1 3 375.520 3.690 20 0 GHADHO CC[NH+](CC)CCCN1CCN(CCCCCOCc2ccccc2)CC1 ZINC001208813089 1035034857 /nfs/dbraw/zinc/03/48/57/1035034857.db2.gz WZEPSDBPIWZNHZ-UHFFFAOYSA-N 1 3 375.601 3.723 20 0 GHADHO CCCCN(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001160923021 1035095115 /nfs/dbraw/zinc/09/51/15/1035095115.db2.gz YCBKBDCYZIXOFR-DNVCBOLYSA-N 1 3 399.501 3.592 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208934045 1035099313 /nfs/dbraw/zinc/09/93/13/1035099313.db2.gz XUVMGPIBPOAHMD-YPAWHYETSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208934045 1035099319 /nfs/dbraw/zinc/09/93/19/1035099319.db2.gz XUVMGPIBPOAHMD-YPAWHYETSA-N 1 3 399.579 3.840 20 0 GHADHO O=C(c1csc2c1CCNC2)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001161057614 1035127354 /nfs/dbraw/zinc/12/73/54/1035127354.db2.gz BXOHQWAQEGKMPZ-IBGZPJMESA-N 1 3 395.572 3.663 20 0 GHADHO O=C(c1csc2c1CCNC2)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161057614 1035127359 /nfs/dbraw/zinc/12/73/59/1035127359.db2.gz BXOHQWAQEGKMPZ-IBGZPJMESA-N 1 3 395.572 3.663 20 0 GHADHO CCOC[C@@H]1COCCC12CC[NH+](Cc1cc(F)cc(CN(C)C)c1)CC2 ZINC001232148841 1035127859 /nfs/dbraw/zinc/12/78/59/1035127859.db2.gz KSEHMCRPNVWPPF-HXUWFJFHSA-N 1 3 378.532 3.543 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208956576 1035129077 /nfs/dbraw/zinc/12/90/77/1035129077.db2.gz BQTLZUIDBPOMDP-NZQKXSOJSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208956576 1035129079 /nfs/dbraw/zinc/12/90/79/1035129079.db2.gz BQTLZUIDBPOMDP-NZQKXSOJSA-N 1 3 387.568 3.745 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)c1 ZINC001232151859 1035130657 /nfs/dbraw/zinc/13/06/57/1035130657.db2.gz QDWHYIYJBPDPPC-QHCPKHFHSA-N 1 3 382.479 3.729 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)c1 ZINC001232151859 1035130667 /nfs/dbraw/zinc/13/06/67/1035130667.db2.gz QDWHYIYJBPDPPC-QHCPKHFHSA-N 1 3 382.479 3.729 20 0 GHADHO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1cc(F)cc(CN(C)C)c1)CC2 ZINC001232152454 1035131867 /nfs/dbraw/zinc/13/18/67/1035131867.db2.gz XWHZNFYDVCLJQH-SFHVURJKSA-N 1 3 376.516 3.833 20 0 GHADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161430827 1035229389 /nfs/dbraw/zinc/22/93/89/1035229389.db2.gz LGLGRZJUXGYTBT-PKTZIBPZSA-N 1 3 377.532 3.651 20 0 GHADHO C[C@H](C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)c(F)c1 ZINC001161447501 1035232827 /nfs/dbraw/zinc/23/28/27/1035232827.db2.gz XRMOVTPLSUSOFW-GHTZIAJQSA-N 1 3 397.538 3.738 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCOc1ccccc1)CC2 ZINC001209297940 1035234637 /nfs/dbraw/zinc/23/46/37/1035234637.db2.gz LIZANPRGYGRLLE-JOCHJYFZSA-N 1 3 380.532 3.821 20 0 GHADHO CN1CC2(C1)CC[NH+](CCCN(C(=O)OC(C)(C)C)C1CCCCC1)CC2 ZINC001209310987 1035238334 /nfs/dbraw/zinc/23/83/34/1035238334.db2.gz UHRRXYFYSNYRBW-UHFFFAOYSA-N 1 3 379.589 3.974 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(NC[C@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246106909 1037196331 /nfs/dbraw/zinc/19/63/31/1037196331.db2.gz QMNRVUGFEKGGOA-JIFINUTQSA-N 1 3 378.944 3.671 20 0 GHADHO CC(C)[C@H]1C[C@@H](NCC2(c3ccccc3Br)CCOCC2)CC[NH2+]1 ZINC001246373149 1037330093 /nfs/dbraw/zinc/33/00/93/1037330093.db2.gz IHNHRRZRKYXKPC-QFBILLFUSA-N 1 3 395.385 3.864 20 0 GHADHO CC1(C)C[C@@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CCN1 ZINC001246409315 1037365795 /nfs/dbraw/zinc/36/57/95/1037365795.db2.gz CAEITTPZFCJFHZ-SFHVURJKSA-N 1 3 395.385 3.909 20 0 GHADHO CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CCN1 ZINC001246441097 1037402033 /nfs/dbraw/zinc/40/20/33/1037402033.db2.gz KGFOSIPJWMKEGY-ZWKOTPCHSA-N 1 3 395.385 3.909 20 0 GHADHO NC1=CC=C(C2CC[NH+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)CC2)NC1 ZINC001246492849 1037439529 /nfs/dbraw/zinc/43/95/29/1037439529.db2.gz DDILEBKYUYPMMV-KRWDZBQOSA-N 1 3 378.347 3.892 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](NC[C@@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246513147 1037452890 /nfs/dbraw/zinc/45/28/90/1037452890.db2.gz VZOCJRFJXDEEFA-QBIMZIAESA-N 1 3 381.358 3.757 20 0 GHADHO C[C@@H]1CN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@@H](C)CN1Cc1ccccc1 ZINC001246533302 1037467062 /nfs/dbraw/zinc/46/70/62/1037467062.db2.gz MHWIQZXXBUXKGR-WIVXBSKCSA-N 1 3 377.576 3.945 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@H](C)[C@@H](CN)C2)CC1 ZINC001246548599 1037478083 /nfs/dbraw/zinc/47/80/83/1037478083.db2.gz FJLHFXXANBVMRI-UVMVFJKDSA-N 1 3 378.944 3.610 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@H](C)[C@@H](CN)C2)CC1 ZINC001246548599 1037478108 /nfs/dbraw/zinc/47/81/08/1037478108.db2.gz FJLHFXXANBVMRI-UVMVFJKDSA-N 1 3 378.944 3.610 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@@H]1CSc3ccccc3C1)CC2 ZINC001246632532 1037517570 /nfs/dbraw/zinc/51/75/70/1037517570.db2.gz WXJMEUAYKLNDRV-IBGZPJMESA-N 1 3 380.557 3.849 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@@H]1CSc3ccccc3C1)CC2 ZINC001246632532 1037517578 /nfs/dbraw/zinc/51/75/78/1037517578.db2.gz WXJMEUAYKLNDRV-IBGZPJMESA-N 1 3 380.557 3.849 20 0 GHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)N1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246635545 1037521327 /nfs/dbraw/zinc/52/13/27/1037521327.db2.gz CKIUZDDRKVWJAY-CZUORRHYSA-N 1 3 378.385 3.837 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)c2ccccc21 ZINC001246753456 1037593656 /nfs/dbraw/zinc/59/36/56/1037593656.db2.gz LZJIQHCMOFHYBC-NJYVYQBISA-N 1 3 397.607 3.907 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)c2ccccc21 ZINC001246753456 1037593657 /nfs/dbraw/zinc/59/36/57/1037593657.db2.gz LZJIQHCMOFHYBC-NJYVYQBISA-N 1 3 397.607 3.907 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CCN[C@@H](C)C3)CC2)c2ccccc21 ZINC001246753452 1037593979 /nfs/dbraw/zinc/59/39/79/1037593979.db2.gz LZJIQHCMOFHYBC-HBMCJLEFSA-N 1 3 397.607 3.907 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CCN([C@H]3CC[NH2+][C@@H](C)C3)CC2)c2ccccc21 ZINC001246753452 1037593988 /nfs/dbraw/zinc/59/39/88/1037593988.db2.gz LZJIQHCMOFHYBC-HBMCJLEFSA-N 1 3 397.607 3.907 20 0 GHADHO C[C@@H]1C[C@H]([NH+]2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)CCN1 ZINC001246753133 1037594163 /nfs/dbraw/zinc/59/41/63/1037594163.db2.gz GMIRWUYDRKSKPG-SVFBPWRDSA-N 1 3 395.591 3.707 20 0 GHADHO C[C@@H]1C[C@H](N2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)CC[NH2+]1 ZINC001246753133 1037594178 /nfs/dbraw/zinc/59/41/78/1037594178.db2.gz GMIRWUYDRKSKPG-SVFBPWRDSA-N 1 3 395.591 3.707 20 0 GHADHO CC(C)(C)[C@H]1C[C@@H](N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246770798 1037612755 /nfs/dbraw/zinc/61/27/55/1037612755.db2.gz UTFLLNYOUURROH-NNXSRULWSA-N 1 3 378.601 3.983 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246803764 1037637779 /nfs/dbraw/zinc/63/77/79/1037637779.db2.gz CYMWXIQUNUCBJF-QYZOEREBSA-N 1 3 380.374 3.706 20 0 GHADHO Brc1cccc([C@H]2CN(C3CCC4(CCC[NH2+]C4)CC3)CCN2)c1 ZINC001246804358 1037638108 /nfs/dbraw/zinc/63/81/08/1037638108.db2.gz GQIVDXHHLNIWCM-IOJLRTSASA-N 1 3 392.385 3.708 20 0 GHADHO CC(C)(C)[NH+]1CCC(N2CCN[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001246807634 1037642613 /nfs/dbraw/zinc/64/26/13/1037642613.db2.gz SXFBFSXKQJQILS-GOSISDBHSA-N 1 3 380.374 3.658 20 0 GHADHO COCC[N@H+](C1CCNCC1)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246839815 1037668161 /nfs/dbraw/zinc/66/81/61/1037668161.db2.gz MSOVROPMZBYSKD-DEOSSOPVSA-N 1 3 394.559 3.823 20 0 GHADHO COCC[N@@H+](C1CCNCC1)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246839815 1037668185 /nfs/dbraw/zinc/66/81/85/1037668185.db2.gz MSOVROPMZBYSKD-DEOSSOPVSA-N 1 3 394.559 3.823 20 0 GHADHO COCCN(C1CC[NH2+]CC1)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246839815 1037668193 /nfs/dbraw/zinc/66/81/93/1037668193.db2.gz MSOVROPMZBYSKD-DEOSSOPVSA-N 1 3 394.559 3.823 20 0 GHADHO CC1(C)C[C@@H]([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936407 1037743476 /nfs/dbraw/zinc/74/34/76/1037743476.db2.gz IMMVWPFYCBJXBB-SFHVURJKSA-N 1 3 381.358 3.961 20 0 GHADHO CC1(C)C[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936407 1037743483 /nfs/dbraw/zinc/74/34/83/1037743483.db2.gz IMMVWPFYCBJXBB-SFHVURJKSA-N 1 3 381.358 3.961 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001246940368 1037745482 /nfs/dbraw/zinc/74/54/82/1037745482.db2.gz WMTCCUNAJIKLKU-REWPJTCUSA-N 1 3 383.580 3.926 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001246940368 1037745500 /nfs/dbraw/zinc/74/55/00/1037745500.db2.gz WMTCCUNAJIKLKU-REWPJTCUSA-N 1 3 383.580 3.926 20 0 GHADHO COc1ccc(C[N@H+](C2CCNCC2)C2CC(C)(C)N(O)C(C)(C)C2)cc1F ZINC001246957521 1037771770 /nfs/dbraw/zinc/77/17/70/1037771770.db2.gz BIKMRRJIUBHLBA-UHFFFAOYSA-N 1 3 393.547 3.799 20 0 GHADHO COc1ccc(C[N@@H+](C2CCNCC2)C2CC(C)(C)N(O)C(C)(C)C2)cc1F ZINC001246957521 1037771793 /nfs/dbraw/zinc/77/17/93/1037771793.db2.gz BIKMRRJIUBHLBA-UHFFFAOYSA-N 1 3 393.547 3.799 20 0 GHADHO C[C@@H]1CN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H](C)CN1Cc1ccccc1 ZINC001246984582 1037808368 /nfs/dbraw/zinc/80/83/68/1037808368.db2.gz MHWIQZXXBUXKGR-YENTXNKWSA-N 1 3 377.576 3.945 20 0 GHADHO CN1CCN(c2ccc(CN3CCC(c4ccccc4Cl)CC3)cn2)CC1 ZINC001232362221 1038140567 /nfs/dbraw/zinc/14/05/67/1038140567.db2.gz NOBJYELORLMVBO-UHFFFAOYSA-N 1 3 384.955 3.866 20 0 GHADHO CN1CCN(c2ccc(C[NH+]3CCC(c4ccccc4Cl)CC3)cn2)CC1 ZINC001232362221 1038140572 /nfs/dbraw/zinc/14/05/72/1038140572.db2.gz NOBJYELORLMVBO-UHFFFAOYSA-N 1 3 384.955 3.866 20 0 GHADHO CN1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432696 1038214114 /nfs/dbraw/zinc/21/41/14/1038214114.db2.gz GNIUNMIOMCJBBP-QHCPKHFHSA-N 1 3 385.552 3.902 20 0 GHADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432696 1038214129 /nfs/dbraw/zinc/21/41/29/1038214129.db2.gz GNIUNMIOMCJBBP-QHCPKHFHSA-N 1 3 385.552 3.902 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651810 1038442927 /nfs/dbraw/zinc/44/29/27/1038442927.db2.gz WKYQUMVPKKYRKG-PUZWTLIVSA-N 1 3 387.531 3.757 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651810 1038442936 /nfs/dbraw/zinc/44/29/36/1038442936.db2.gz WKYQUMVPKKYRKG-PUZWTLIVSA-N 1 3 387.531 3.757 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cnc(C)cc1C)CC2 ZINC001233006586 1038766569 /nfs/dbraw/zinc/76/65/69/1038766569.db2.gz RBZXFAPVQGNLAW-HSZRJFAPSA-N 1 3 394.563 3.597 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cnc(C)cc1C)CC2 ZINC001233006586 1038766571 /nfs/dbraw/zinc/76/65/71/1038766571.db2.gz RBZXFAPVQGNLAW-HSZRJFAPSA-N 1 3 394.563 3.597 20 0 GHADHO OC1(C[NH+]2CCC(COc3ccccc3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254035719 1039967691 /nfs/dbraw/zinc/96/76/91/1039967691.db2.gz AIYZGGFCAIYJQJ-UHFFFAOYSA-N 1 3 394.559 3.805 20 0 GHADHO COc1ccc([C@H]2CC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)cc1 ZINC001254041218 1039970149 /nfs/dbraw/zinc/97/01/49/1039970149.db2.gz HRYNLOYAXWAERB-QFIPXVFZSA-N 1 3 380.532 3.512 20 0 GHADHO COc1ccc([C@H]2CC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)cc1 ZINC001254041218 1039970158 /nfs/dbraw/zinc/97/01/58/1039970158.db2.gz HRYNLOYAXWAERB-QFIPXVFZSA-N 1 3 380.532 3.512 20 0 GHADHO OC1(C[NH2+][C@H](c2cncc(Cl)c2)C2CC2)CCN(Cc2ccccc2)CC1 ZINC001254052391 1039976806 /nfs/dbraw/zinc/97/68/06/1039976806.db2.gz GCIYYLWRVKUYKJ-NRFANRHFSA-N 1 3 385.939 3.803 20 0 GHADHO CCN(C(=O)NC1CCC(C)([NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001254426998 1040225468 /nfs/dbraw/zinc/22/54/68/1040225468.db2.gz GZKMCNDTTYARNY-QKDPSFTKSA-N 1 3 386.584 3.555 20 0 GHADHO COc1cc(Br)c(CN2CCCC[C@H]2C2CC[NH2+]CC2)cc1OC ZINC001235151911 1040643661 /nfs/dbraw/zinc/64/36/61/1040643661.db2.gz JPBBEXURVXMJMR-KRWDZBQOSA-N 1 3 397.357 3.820 20 0 GHADHO CCC(CC)N1CCC([NH2+][C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254893046 1040647667 /nfs/dbraw/zinc/64/76/67/1040647667.db2.gz JHWPURYHZCTNRC-DZFIZOCASA-N 1 3 379.589 3.875 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cc(-c4ccsc4)cs3)CC[C@@H]2C1 ZINC001235186215 1040677273 /nfs/dbraw/zinc/67/72/73/1040677273.db2.gz TUOYPWODAIOLKL-OXQOHEQNSA-N 1 3 392.590 3.646 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cc(-c4ccsc4)cs3)CC[C@@H]2C1 ZINC001235186215 1040677287 /nfs/dbraw/zinc/67/72/87/1040677287.db2.gz TUOYPWODAIOLKL-OXQOHEQNSA-N 1 3 392.590 3.646 20 0 GHADHO c1ccc2c(c1)CC(N1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001255022093 1040734726 /nfs/dbraw/zinc/73/47/26/1040734726.db2.gz BLEVPULTWFMVEL-UKILVPOCSA-N 1 3 380.576 3.614 20 0 GHADHO c1ccc2c(c1)CC(N1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001255022093 1040734738 /nfs/dbraw/zinc/73/47/38/1040734738.db2.gz BLEVPULTWFMVEL-UKILVPOCSA-N 1 3 380.576 3.614 20 0 GHADHO CCc1cccc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001235254153 1040736893 /nfs/dbraw/zinc/73/68/93/1040736893.db2.gz OMQXUVWBRYYVGR-QHCPKHFHSA-N 1 3 379.548 3.900 20 0 GHADHO CCc1cccc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001235254153 1040736911 /nfs/dbraw/zinc/73/69/11/1040736911.db2.gz OMQXUVWBRYYVGR-QHCPKHFHSA-N 1 3 379.548 3.900 20 0 GHADHO O[C@H]1C[C@H](N[C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068708 1040762168 /nfs/dbraw/zinc/76/21/68/1040762168.db2.gz BNYDPFJFXSPEFL-AMGAHSPLSA-N 1 3 376.544 3.864 20 0 GHADHO O[C@H]1C[C@H](N[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068708 1040762180 /nfs/dbraw/zinc/76/21/80/1040762180.db2.gz BNYDPFJFXSPEFL-AMGAHSPLSA-N 1 3 376.544 3.864 20 0 GHADHO O[C@H](CF)CN[C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075838 1040766090 /nfs/dbraw/zinc/76/60/90/1040766090.db2.gz JEIZSYINIIIKRB-OLKYXYMISA-N 1 3 382.523 3.671 20 0 GHADHO O[C@H](CF)CN[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075838 1040766110 /nfs/dbraw/zinc/76/61/10/1040766110.db2.gz JEIZSYINIIIKRB-OLKYXYMISA-N 1 3 382.523 3.671 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255123568 1040814290 /nfs/dbraw/zinc/81/42/90/1040814290.db2.gz CWRHYUIYQZUULU-BURNTYAHSA-N 1 3 385.552 3.781 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123568 1040814293 /nfs/dbraw/zinc/81/42/93/1040814293.db2.gz CWRHYUIYQZUULU-BURNTYAHSA-N 1 3 385.552 3.781 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131026 1040824115 /nfs/dbraw/zinc/82/41/15/1040824115.db2.gz LUGRYZRRWCNVEA-BXXSPATCSA-N 1 3 376.548 3.836 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131026 1040824132 /nfs/dbraw/zinc/82/41/32/1040824132.db2.gz LUGRYZRRWCNVEA-BXXSPATCSA-N 1 3 376.548 3.836 20 0 GHADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365616 1040854996 /nfs/dbraw/zinc/85/49/96/1040854996.db2.gz OQHWXJBJTNEOMT-RZTXVSJASA-N 1 3 392.543 3.847 20 0 GHADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365616 1040855008 /nfs/dbraw/zinc/85/50/08/1040855008.db2.gz OQHWXJBJTNEOMT-RZTXVSJASA-N 1 3 392.543 3.847 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151265 1040875579 /nfs/dbraw/zinc/87/55/79/1040875579.db2.gz VGWIWNHFBJRCSU-CBPXPLCBSA-N 1 3 378.520 3.515 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151265 1040875581 /nfs/dbraw/zinc/87/55/81/1040875581.db2.gz VGWIWNHFBJRCSU-CBPXPLCBSA-N 1 3 378.520 3.515 20 0 GHADHO CC(C)c1ccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c(Br)c1 ZINC001235377879 1040892626 /nfs/dbraw/zinc/89/26/26/1040892626.db2.gz FOGGFOWDRNQQII-YQVWRLOYSA-N 1 3 379.342 3.525 20 0 GHADHO Brc1cnc2[nH]cc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235424316 1040926189 /nfs/dbraw/zinc/92/61/89/1040926189.db2.gz GVXMKUBEIIYPJD-KBPBESRZSA-N 1 3 377.330 3.537 20 0 GHADHO COc1c(C)cc(Br)cc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431198 1040932728 /nfs/dbraw/zinc/93/27/28/1040932728.db2.gz MQBNVSHHCRNTDR-HOTGVXAUSA-N 1 3 381.358 3.978 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H](N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001255352267 1040957248 /nfs/dbraw/zinc/95/72/48/1040957248.db2.gz JULVDERQQBNGNP-ZUBJEWALSA-N 1 3 390.527 3.685 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255384572 1040974977 /nfs/dbraw/zinc/97/49/77/1040974977.db2.gz ZEYKEYRYGOZYFC-QHCPKHFHSA-N 1 3 380.532 3.937 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255384572 1040974980 /nfs/dbraw/zinc/97/49/80/1040974980.db2.gz ZEYKEYRYGOZYFC-QHCPKHFHSA-N 1 3 380.532 3.937 20 0 GHADHO c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)cc1 ZINC001255390342 1040977746 /nfs/dbraw/zinc/97/77/46/1040977746.db2.gz BBQAKTFUHHVBSJ-CXSMSNRLSA-N 1 3 375.560 3.761 20 0 GHADHO O=C(C[C@H]1CC2(CCN(CC[C@@H]3CCCC[NH2+]3)CC2)c2ccccc21)NC1CC1 ZINC001235539463 1040980932 /nfs/dbraw/zinc/98/09/32/1040980932.db2.gz ZSBFBXSECDLQCE-PMACEKPBSA-N 1 3 395.591 3.708 20 0 GHADHO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2ccc4c(c2)CNC4)C3)c1 ZINC001235547910 1040982624 /nfs/dbraw/zinc/98/26/24/1040982624.db2.gz RLQZWRICIVFLBR-RPWUZVMVSA-N 1 3 377.532 3.812 20 0 GHADHO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccc4c(c2)CNC4)C3)c1 ZINC001235547910 1040982625 /nfs/dbraw/zinc/98/26/25/1040982625.db2.gz RLQZWRICIVFLBR-RPWUZVMVSA-N 1 3 377.532 3.812 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC[C@H]1F ZINC001255399373 1040985306 /nfs/dbraw/zinc/98/53/06/1040985306.db2.gz QVBXPOHIXNTAEJ-IPMKNSEASA-N 1 3 388.449 3.768 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC[C@H]1F ZINC001255399373 1040985307 /nfs/dbraw/zinc/98/53/07/1040985307.db2.gz QVBXPOHIXNTAEJ-IPMKNSEASA-N 1 3 388.449 3.768 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402584 1040988448 /nfs/dbraw/zinc/98/84/48/1040988448.db2.gz JUBCQUJUTQFFGR-UPVQGACJSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402584 1040988450 /nfs/dbraw/zinc/98/84/50/1040988450.db2.gz JUBCQUJUTQFFGR-UPVQGACJSA-N 1 3 383.580 3.764 20 0 GHADHO CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404949 1040991973 /nfs/dbraw/zinc/99/19/73/1040991973.db2.gz LTAOQHHIICZPOL-NHCUHLMSSA-N 1 3 387.568 3.982 20 0 GHADHO CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404949 1040991977 /nfs/dbraw/zinc/99/19/77/1040991977.db2.gz LTAOQHHIICZPOL-NHCUHLMSSA-N 1 3 387.568 3.982 20 0 GHADHO Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255408891 1040996062 /nfs/dbraw/zinc/99/60/62/1040996062.db2.gz DTNMMDWVYCKYLB-FGZHOGPDSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cncnc1O[C@@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255408891 1040996063 /nfs/dbraw/zinc/99/60/63/1040996063.db2.gz DTNMMDWVYCKYLB-FGZHOGPDSA-N 1 3 380.536 3.683 20 0 GHADHO O=C(c1ccccc1)N1CCC(C2CCN(CC[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235692200 1041168250 /nfs/dbraw/zinc/16/82/50/1041168250.db2.gz QEXXAHLSVNURAU-QHCPKHFHSA-N 1 3 383.580 3.783 20 0 GHADHO COCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1C(F)(F)F ZINC001255671872 1041204515 /nfs/dbraw/zinc/20/45/15/1041204515.db2.gz WNUXLGYEOUWFES-ALOPSCKCSA-N 1 3 386.458 3.836 20 0 GHADHO Cc1cc(Br)cc(C)c1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001235791942 1041286356 /nfs/dbraw/zinc/28/63/56/1041286356.db2.gz YSJNDINTLJPGQE-UHFFFAOYSA-N 1 3 394.401 3.525 20 0 GHADHO [NH3+]CCNC(=O)c1cccc(CN2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001235883125 1041408749 /nfs/dbraw/zinc/40/87/49/1041408749.db2.gz XHAWWMCFKJJGJH-QGZVFWFLSA-N 1 3 392.330 3.671 20 0 GHADHO COCCCN(Cc1cn(C)c2ccc(Br)cc12)C1CC[NH2+]CC1 ZINC001235936488 1041441476 /nfs/dbraw/zinc/44/14/76/1041441476.db2.gz CIOFHVYANVHGJN-UHFFFAOYSA-N 1 3 394.357 3.531 20 0 GHADHO COCCC[N@H+](Cc1cn(C)c2ccc(Br)cc12)C1CCNCC1 ZINC001235936488 1041441487 /nfs/dbraw/zinc/44/14/87/1041441487.db2.gz CIOFHVYANVHGJN-UHFFFAOYSA-N 1 3 394.357 3.531 20 0 GHADHO COCCC[N@@H+](Cc1cn(C)c2ccc(Br)cc12)C1CCNCC1 ZINC001235936488 1041441489 /nfs/dbraw/zinc/44/14/89/1041441489.db2.gz CIOFHVYANVHGJN-UHFFFAOYSA-N 1 3 394.357 3.531 20 0 GHADHO CC(C)(C)OC(=O)NCCN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001236040377 1041512727 /nfs/dbraw/zinc/51/27/27/1041512727.db2.gz BVWYLZOPJHNJCK-UHFFFAOYSA-N 1 3 387.568 3.889 20 0 GHADHO FC(F)(F)Oc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Br ZINC001236320558 1041670364 /nfs/dbraw/zinc/67/03/64/1041670364.db2.gz ITDDRHVQEWAVST-BETUJISGSA-N 1 3 393.247 3.779 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001256288636 1041685393 /nfs/dbraw/zinc/68/53/93/1041685393.db2.gz MKBACDHMOSDHID-SFHVURJKSA-N 1 3 377.573 3.796 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296713 1041689950 /nfs/dbraw/zinc/68/99/50/1041689950.db2.gz RESKYVWTQZLYIZ-RTWAWAEBSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296713 1041689953 /nfs/dbraw/zinc/68/99/53/1041689953.db2.gz RESKYVWTQZLYIZ-RTWAWAEBSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296713 1041689964 /nfs/dbraw/zinc/68/99/64/1041689964.db2.gz RESKYVWTQZLYIZ-RTWAWAEBSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296713 1041689967 /nfs/dbraw/zinc/68/99/67/1041689967.db2.gz RESKYVWTQZLYIZ-RTWAWAEBSA-N 1 3 399.579 3.840 20 0 GHADHO Fc1ccc(CN(Cc2ccnc(OC(F)F)c2)CC2CC[NH2+]CC2)cc1 ZINC001236384748 1041692162 /nfs/dbraw/zinc/69/21/62/1041692162.db2.gz AUKUPWPTRRQABL-UHFFFAOYSA-N 1 3 379.426 3.824 20 0 GHADHO Clc1ccc(C[N@H+](CC2CCC3(CC2)OCCO3)C2CCNCC2)cc1 ZINC001236454366 1041719732 /nfs/dbraw/zinc/71/97/32/1041719732.db2.gz YLDSTUOKCWCJKB-UHFFFAOYSA-N 1 3 378.944 3.827 20 0 GHADHO Clc1ccc(C[N@@H+](CC2CCC3(CC2)OCCO3)C2CCNCC2)cc1 ZINC001236454366 1041719740 /nfs/dbraw/zinc/71/97/40/1041719740.db2.gz YLDSTUOKCWCJKB-UHFFFAOYSA-N 1 3 378.944 3.827 20 0 GHADHO CCOC1CCC([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001256439061 1041732583 /nfs/dbraw/zinc/73/25/83/1041732583.db2.gz OEPYLHVHFQPBTP-FPPAHVCDSA-N 1 3 390.612 3.795 20 0 GHADHO CCOC1CCC([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001256439061 1041732588 /nfs/dbraw/zinc/73/25/88/1041732588.db2.gz OEPYLHVHFQPBTP-FPPAHVCDSA-N 1 3 390.612 3.795 20 0 GHADHO C[C@@H]1C[C@H](N2CCC([NH3+])(Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256462382 1041743633 /nfs/dbraw/zinc/74/36/33/1041743633.db2.gz LCWXBEFYBVGUDU-UYAOXDASSA-N 1 3 387.568 3.810 20 0 GHADHO COC(=O)c1cc(CN(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)ccc1O ZINC001236541402 1041756595 /nfs/dbraw/zinc/75/65/95/1041756595.db2.gz QISOOPCBDNNVER-IYARVYRRSA-N 1 3 386.467 3.590 20 0 GHADHO CC(C)(C)c1cc(CN2CC[C@H](N3CCC([NH3+])CC3)C2)cc(C(C)(C)C)c1O ZINC001236620300 1041786847 /nfs/dbraw/zinc/78/68/47/1041786847.db2.gz BISCCKMXPBYBMK-IBGZPJMESA-N 1 3 387.612 3.985 20 0 GHADHO COc1ccccc1CN(Cc1cccc(OC)c1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700598 1041840590 /nfs/dbraw/zinc/84/05/90/1041840590.db2.gz LXKACFBQARBTJL-MXVIHJGJSA-N 1 3 384.520 3.985 20 0 GHADHO COc1ccccc1CN(Cc1[nH]nc2cc(F)ccc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711950 1041848613 /nfs/dbraw/zinc/84/86/13/1041848613.db2.gz XWCWNBAYXYDYOH-IYARVYRRSA-N 1 3 382.483 3.983 20 0 GHADHO Clc1ccc2c(c1)[C@H]1CN(Cc3ccccc3N3CC[NH2+]CC3)CC[C@H]1N2 ZINC001237250157 1042106967 /nfs/dbraw/zinc/10/69/67/1042106967.db2.gz SQFAKQHDVAHZMP-TZIWHRDSSA-N 1 3 382.939 3.533 20 0 GHADHO CCOC(=O)[C@H]1CN(Cc2sccc2Oc2ccccc2)CCC12C[NH2+]C2 ZINC001237432006 1042205698 /nfs/dbraw/zinc/20/56/98/1042205698.db2.gz VMNWHMYIOLXFCY-QGZVFWFLSA-N 1 3 386.517 3.515 20 0 GHADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC001462597266 1070402345 /nfs/dbraw/zinc/40/23/45/1070402345.db2.gz YYFGFNJHIZKVDQ-YZGWKJHDSA-N 1 3 390.572 3.700 20 0 GHADHO CCc1n[nH]cc1CN1CCC2(CC1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC001237649016 1042302873 /nfs/dbraw/zinc/30/28/73/1042302873.db2.gz NXZRCRYSNAIQEI-UHFFFAOYSA-N 1 3 382.552 3.859 20 0 GHADHO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2C2=CCCN(Cc3ccccc3)C2)CC1 ZINC001240388365 1042924872 /nfs/dbraw/zinc/92/48/72/1042924872.db2.gz AHPCIDXOWURHTE-HZCBDIJESA-N 1 3 389.543 3.976 20 0 GHADHO COc1ccc(-c2ccc(C3(N4CCN(C)CC4)CC3)cc2)c(C[NH+](C)C)c1 ZINC001240596239 1042945515 /nfs/dbraw/zinc/94/55/15/1042945515.db2.gz KXAHHRZUHWAUDW-UHFFFAOYSA-N 1 3 379.548 3.660 20 0 GHADHO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001462674906 1070463183 /nfs/dbraw/zinc/46/31/83/1070463183.db2.gz ZXVLWBBFHAQCCS-SWBPCFCJSA-N 1 3 379.589 3.875 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541576 1043492924 /nfs/dbraw/zinc/49/29/24/1043492924.db2.gz MPBPBUFEFCPZIU-CTNGQTDRSA-N 1 3 399.579 3.982 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541576 1043492938 /nfs/dbraw/zinc/49/29/38/1043492938.db2.gz MPBPBUFEFCPZIU-CTNGQTDRSA-N 1 3 399.579 3.982 20 0 GHADHO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](C1CCN(C(C)(C)C)CC1)CC2 ZINC001256572674 1043546670 /nfs/dbraw/zinc/54/66/70/1043546670.db2.gz VJJROOOZHKYDMB-OAQYLSRUSA-N 1 3 383.580 3.730 20 0 GHADHO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256679001 1043616611 /nfs/dbraw/zinc/61/66/11/1043616611.db2.gz YUOYBTHKNFAKPO-UHFFFAOYSA-N 1 3 389.540 3.767 20 0 GHADHO Fc1ccc([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CCOCC2)cc1 ZINC001256686213 1043621878 /nfs/dbraw/zinc/62/18/78/1043621878.db2.gz LZQBNZAGLOUMNI-HRTMPFAESA-N 1 3 376.516 3.526 20 0 GHADHO Fc1ccc(Cl)c(CN2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001278968789 1043701095 /nfs/dbraw/zinc/70/10/95/1043701095.db2.gz QYZIIGWJRNBRHV-CALCHBBNSA-N 1 3 376.907 3.520 20 0 GHADHO Fc1ccc(Cl)c(CN2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001278968789 1043701105 /nfs/dbraw/zinc/70/11/05/1043701105.db2.gz QYZIIGWJRNBRHV-CALCHBBNSA-N 1 3 376.907 3.520 20 0 GHADHO O=C1CC2(CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)Oc2ccc(F)cc21 ZINC001256864457 1043709374 /nfs/dbraw/zinc/70/93/74/1043709374.db2.gz IXAVZVUDRPQLIU-UHFFFAOYSA-N 1 3 395.478 3.690 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]CC2CCN(Cc3ccccn3)CC2)cc1 ZINC001257153439 1043901593 /nfs/dbraw/zinc/90/15/93/1043901593.db2.gz LXYTXJLBYMKDEQ-LJQANCHMSA-N 1 3 395.547 3.691 20 0 GHADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257557734 1044042491 /nfs/dbraw/zinc/04/24/91/1044042491.db2.gz PSMGQELEHVWOHE-INIZCTEOSA-N 1 3 395.385 3.861 20 0 GHADHO CN(C)CCC[NH+](CCCN(C)C)C1CCC(OCc2ccccc2)CC1 ZINC001257833784 1044209773 /nfs/dbraw/zinc/20/97/73/1044209773.db2.gz HNSBLNHTLISOGM-UHFFFAOYSA-N 1 3 375.601 3.720 20 0 GHADHO COC(=O)C1CCC([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001257857420 1044223681 /nfs/dbraw/zinc/22/36/81/1044223681.db2.gz YQJOZFHFGNQBBW-UHFFFAOYSA-N 1 3 378.944 3.873 20 0 GHADHO CC(C)CN1CCC([NH2+][C@H]2CCN(Cc3ccc(Br)cc3)C2)CC1 ZINC001258008433 1044334960 /nfs/dbraw/zinc/33/49/60/1044334960.db2.gz SBQBRIVDASQYMV-FQEVSTJZSA-N 1 3 394.401 3.733 20 0 GHADHO CCOC(=O)CC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001258024554 1044350694 /nfs/dbraw/zinc/35/06/94/1044350694.db2.gz ZQRTXEOCOZBQCA-SOBISTDDSA-N 1 3 384.564 3.999 20 0 GHADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258054114 1044373072 /nfs/dbraw/zinc/37/30/72/1044373072.db2.gz ZFQYHMZYNWWRML-JAXLGGSGSA-N 1 3 387.612 3.852 20 0 GHADHO c1ccc(CCN2CCC([N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001258146218 1044435305 /nfs/dbraw/zinc/43/53/05/1044435305.db2.gz SSVIGESDZVTJIW-PLQXJYEYSA-N 1 3 389.587 3.757 20 0 GHADHO c1ccc(CCN2CCC([N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001258146218 1044435313 /nfs/dbraw/zinc/43/53/13/1044435313.db2.gz SSVIGESDZVTJIW-PLQXJYEYSA-N 1 3 389.587 3.757 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401554 1044539072 /nfs/dbraw/zinc/53/90/72/1044539072.db2.gz NESAXUBNTQICRO-WNOPAQSVSA-N 1 3 386.580 3.697 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401554 1044539087 /nfs/dbraw/zinc/53/90/87/1044539087.db2.gz NESAXUBNTQICRO-WNOPAQSVSA-N 1 3 386.580 3.697 20 0 GHADHO COc1cccc(CC2([NH3+])CCN(C3CCN(c4ccccc4)CC3)CC2)c1 ZINC001258507367 1044586065 /nfs/dbraw/zinc/58/60/65/1044586065.db2.gz ISFXTMNPQJGZJF-UHFFFAOYSA-N 1 3 379.548 3.700 20 0 GHADHO COc1ccc(CC2([NH3+])CCN(C3CCN(c4ccccc4)CC3)CC2)cc1 ZINC001258507896 1044586501 /nfs/dbraw/zinc/58/65/01/1044586501.db2.gz WBFQALMAKVMNST-UHFFFAOYSA-N 1 3 379.548 3.700 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001258880691 1044831841 /nfs/dbraw/zinc/83/18/41/1044831841.db2.gz ITMSCEAJXNXKAT-FQEVSTJZSA-N 1 3 381.564 3.554 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001262257831 1046222334 /nfs/dbraw/zinc/22/23/34/1046222334.db2.gz UDTLZNYBTQAYEV-MKXGPGLRSA-N 1 3 379.589 3.922 20 0 GHADHO C[N@@H+](Cc1ccc(Br)cc1N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382799071 1047062339 /nfs/dbraw/zinc/06/23/39/1047062339.db2.gz ZSKGFEVPUQDAIK-QGZVFWFLSA-N 1 3 388.353 3.985 20 0 GHADHO C[N@H+](Cc1ccc(Br)cc1N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382799071 1047062354 /nfs/dbraw/zinc/06/23/54/1047062354.db2.gz ZSKGFEVPUQDAIK-QGZVFWFLSA-N 1 3 388.353 3.985 20 0 GHADHO Cc1cccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1Br ZINC001279363327 1047780529 /nfs/dbraw/zinc/78/05/29/1047780529.db2.gz TVUHLZNOWWRBHH-UHFFFAOYSA-N 1 3 394.401 3.607 20 0 GHADHO Cc1cccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1Br ZINC001279363327 1047780533 /nfs/dbraw/zinc/78/05/33/1047780533.db2.gz TVUHLZNOWWRBHH-UHFFFAOYSA-N 1 3 394.401 3.607 20 0 GHADHO CCOC(=O)CCCCN1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001280157305 1048109863 /nfs/dbraw/zinc/10/98/63/1048109863.db2.gz XMXQCDFVVZGZPZ-SFHVURJKSA-N 1 3 378.479 3.850 20 0 GHADHO CCOC(=O)CCCCN1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001280157305 1048109870 /nfs/dbraw/zinc/10/98/70/1048109870.db2.gz XMXQCDFVVZGZPZ-SFHVURJKSA-N 1 3 378.479 3.850 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC001306840488 1048922568 /nfs/dbraw/zinc/92/25/68/1048922568.db2.gz DBIVLPAXVYWMMI-LEOXJPRUSA-N 1 3 397.563 3.850 20 0 GHADHO C[C@H]1CN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308038663 1049789760 /nfs/dbraw/zinc/78/97/60/1049789760.db2.gz AKGIEPRMSBUUPH-RBUKOAKNSA-N 1 3 388.556 3.629 20 0 GHADHO C[NH+]1CCC(O)(CNCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)CC1 ZINC001308282343 1049936137 /nfs/dbraw/zinc/93/61/37/1049936137.db2.gz NQXLCPRMIBJHOB-UHFFFAOYSA-N 1 3 396.865 3.957 20 0 GHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC001308293433 1049940233 /nfs/dbraw/zinc/94/02/33/1049940233.db2.gz UDCQEXTYZUMCEC-MOPGFXCFSA-N 1 3 394.401 3.876 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1nccc2c1CCCC2 ZINC001308599197 1050026354 /nfs/dbraw/zinc/02/63/54/1050026354.db2.gz WZHHZYJXQGQEBF-UHFFFAOYSA-N 1 3 384.612 3.589 20 0 GHADHO CCOC(=O)COc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001308629153 1050039895 /nfs/dbraw/zinc/03/98/95/1050039895.db2.gz KTXNIOOUMDSKHN-JOCHJYFZSA-N 1 3 396.531 3.582 20 0 GHADHO CCOC(=O)COc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001308629153 1050039900 /nfs/dbraw/zinc/03/99/00/1050039900.db2.gz KTXNIOOUMDSKHN-JOCHJYFZSA-N 1 3 396.531 3.582 20 0 GHADHO C[C@H](N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001308682410 1050058300 /nfs/dbraw/zinc/05/83/00/1050058300.db2.gz UFPMIHAXCKIFEW-CEWLAPEOSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@H](N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001308682410 1050058306 /nfs/dbraw/zinc/05/83/06/1050058306.db2.gz UFPMIHAXCKIFEW-CEWLAPEOSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001308682410 1050058312 /nfs/dbraw/zinc/05/83/12/1050058312.db2.gz UFPMIHAXCKIFEW-CEWLAPEOSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(n4cc(Br)cn4)CC3)CC2)C1 ZINC001308930550 1050187302 /nfs/dbraw/zinc/18/73/02/1050187302.db2.gz DKHANIMSOSAPPR-MAUKXSAKSA-N 1 3 395.389 3.767 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+]C(C)(C)C3CCCCC3)cc2)CC1 ZINC001330656618 1051056590 /nfs/dbraw/zinc/05/65/90/1051056590.db2.gz HLAXEKKJABZIAF-UHFFFAOYSA-N 1 3 386.584 3.716 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001336135205 1052231592 /nfs/dbraw/zinc/23/15/92/1052231592.db2.gz GTZNNMXLRFPVDO-WNMCAHLPSA-N 1 3 394.559 3.646 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001336135205 1052231601 /nfs/dbraw/zinc/23/16/01/1052231601.db2.gz GTZNNMXLRFPVDO-WNMCAHLPSA-N 1 3 394.559 3.646 20 0 GHADHO CC[NH+]1CCC(CCNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC001312108717 1052577098 /nfs/dbraw/zinc/57/70/98/1052577098.db2.gz VZVNKYUOWDFSMA-JOCHJYFZSA-N 1 3 388.600 3.564 20 0 GHADHO c1ccc(CN2C[C@H]3CC[C@@H](C2)C3[NH2+]CC2(N3CCCCC3)CCOCC2)cc1 ZINC001344031660 1054200178 /nfs/dbraw/zinc/20/01/78/1054200178.db2.gz MGWOQRRDXMODQN-VSGJHWFKSA-N 1 3 397.607 3.522 20 0 GHADHO Cc1ccc(CN2CCCN(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC001317899302 1054297061 /nfs/dbraw/zinc/29/70/61/1054297061.db2.gz OWBJQBLNHKVXDW-QHCPKHFHSA-N 1 3 394.563 3.515 20 0 GHADHO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000848533058 1057154014 /nfs/dbraw/zinc/15/40/14/1057154014.db2.gz GTSUAUDADNKLPP-ZUEVXXBESA-N 1 3 387.351 3.648 20 0 GHADHO COC(=O)/C=C\c1ccc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000848899389 1057407160 /nfs/dbraw/zinc/40/71/60/1057407160.db2.gz NFDIDCHPCYQAIM-SFWXYKJNSA-N 1 3 382.504 3.856 20 0 GHADHO COC(=O)/C=C\c1ccc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000848899389 1057407162 /nfs/dbraw/zinc/40/71/62/1057407162.db2.gz NFDIDCHPCYQAIM-SFWXYKJNSA-N 1 3 382.504 3.856 20 0 GHADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Oc2cc(C)ccc2C)nc1 ZINC000849060488 1057571606 /nfs/dbraw/zinc/57/16/06/1057571606.db2.gz AYKJYRDKEKCHEB-IBGZPJMESA-N 1 3 381.524 3.589 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001341033303 1060343785 /nfs/dbraw/zinc/34/37/85/1060343785.db2.gz UPHXNJBFDZIGBZ-UHFFFAOYSA-N 1 3 395.572 3.522 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001341033303 1060343806 /nfs/dbraw/zinc/34/38/06/1060343806.db2.gz UPHXNJBFDZIGBZ-UHFFFAOYSA-N 1 3 395.572 3.522 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC001459307510 1064055654 /nfs/dbraw/zinc/05/56/54/1064055654.db2.gz OGJLGYOXZUKRHY-HXUWFJFHSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N(CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC001459783914 1064215824 /nfs/dbraw/zinc/21/58/24/1064215824.db2.gz BWJLQZGDKNJYAV-PXNSSMCTSA-N 1 3 377.573 3.725 20 0 GHADHO CC(C)(C)OC(=O)N(CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC001459783914 1064215833 /nfs/dbraw/zinc/21/58/33/1064215833.db2.gz BWJLQZGDKNJYAV-PXNSSMCTSA-N 1 3 377.573 3.725 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001463762626 1064594388 /nfs/dbraw/zinc/59/43/88/1064594388.db2.gz NYSYISBFHIKDJX-BJKOFHAPSA-N 1 3 393.575 3.880 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001463762626 1064594407 /nfs/dbraw/zinc/59/44/07/1064594407.db2.gz NYSYISBFHIKDJX-BJKOFHAPSA-N 1 3 393.575 3.880 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001477615908 1078493567 /nfs/dbraw/zinc/49/35/67/1078493567.db2.gz ZNUKNXQHGWNHNX-UNMCSNQZSA-N 1 3 398.595 3.872 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)c1ccsc1 ZINC001467663777 1067406032 /nfs/dbraw/zinc/40/60/32/1067406032.db2.gz HIYKMWLTWDHUQY-DSKINZAPSA-N 1 3 394.629 3.941 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001358394142 1067511143 /nfs/dbraw/zinc/51/11/43/1067511143.db2.gz MUBGWNUHWUCGCI-UHFFFAOYSA-N 1 3 391.515 3.627 20 0 GHADHO CN(CCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)Cc1ccccc1 ZINC001468231668 1067641569 /nfs/dbraw/zinc/64/15/69/1067641569.db2.gz SZTYWKBYXZJYFE-UHFFFAOYSA-N 1 3 388.600 3.660 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)N2CCCC2)cc1 ZINC001468387768 1067713627 /nfs/dbraw/zinc/71/36/27/1067713627.db2.gz JCIMDUIAICXVEU-XZOQPEGZSA-N 1 3 398.595 3.696 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)N2CCCC2)cc1 ZINC001468387768 1067713634 /nfs/dbraw/zinc/71/36/34/1067713634.db2.gz JCIMDUIAICXVEU-XZOQPEGZSA-N 1 3 398.595 3.696 20 0 GHADHO C[C@@]1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCCN1Cc1ccccc1 ZINC000849097622 1067725937 /nfs/dbraw/zinc/72/59/37/1067725937.db2.gz BUQNBNFZIKYLTP-REWPJTCUSA-N 1 3 378.520 3.679 20 0 GHADHO CCCOc1cccc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849105295 1067730854 /nfs/dbraw/zinc/73/08/54/1067730854.db2.gz VLFBGZDANMIYNW-UHFFFAOYSA-N 1 3 394.563 3.796 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001469315131 1068095137 /nfs/dbraw/zinc/09/51/37/1068095137.db2.gz AENKFCVHPFWBET-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001469315131 1068095153 /nfs/dbraw/zinc/09/51/53/1068095153.db2.gz AENKFCVHPFWBET-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO Cc1ccc2c(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)sc2c1 ZINC001470025124 1068529484 /nfs/dbraw/zinc/52/94/84/1068529484.db2.gz BZFKPUXVZZBOPI-AWEZNQCLSA-N 1 3 381.973 3.865 20 0 GHADHO Cc1ccc2c(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc2c1 ZINC001470025124 1068529488 /nfs/dbraw/zinc/52/94/88/1068529488.db2.gz BZFKPUXVZZBOPI-AWEZNQCLSA-N 1 3 381.973 3.865 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC001470386416 1068714684 /nfs/dbraw/zinc/71/46/84/1068714684.db2.gz AWPYSDOJIQETGL-RXVVDRJESA-N 1 3 376.589 3.516 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC001470386416 1068714695 /nfs/dbraw/zinc/71/46/95/1068714695.db2.gz AWPYSDOJIQETGL-RXVVDRJESA-N 1 3 376.589 3.516 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001478590795 1078928140 /nfs/dbraw/zinc/92/81/40/1078928140.db2.gz JRWLRUMDDBDQAD-AJSBUHFISA-N 1 3 398.595 3.870 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001478590795 1078928144 /nfs/dbraw/zinc/92/81/44/1078928144.db2.gz JRWLRUMDDBDQAD-AJSBUHFISA-N 1 3 398.595 3.870 20 0 GHADHO C[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001470891150 1072795528 /nfs/dbraw/zinc/79/55/28/1072795528.db2.gz ZEEYSEAZKJASDG-OAQYLSRUSA-N 1 3 397.607 3.807 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001478984091 1079051029 /nfs/dbraw/zinc/05/10/29/1079051029.db2.gz IYPICPIRWRISPQ-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001478984091 1079051039 /nfs/dbraw/zinc/05/10/39/1079051039.db2.gz IYPICPIRWRISPQ-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1)c1ccccc1 ZINC001473111497 1073785572 /nfs/dbraw/zinc/78/55/72/1073785572.db2.gz HHODWNTYLKIZCG-XZOQPEGZSA-N 1 3 379.548 3.503 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1)c1ccccc1 ZINC001473111497 1073785580 /nfs/dbraw/zinc/78/55/80/1073785580.db2.gz HHODWNTYLKIZCG-XZOQPEGZSA-N 1 3 379.548 3.503 20 0 GHADHO Cn1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019047 1074237297 /nfs/dbraw/zinc/23/72/97/1074237297.db2.gz LOXXCIFXOVDOSN-LAUBAEHRSA-N 1 3 381.549 3.716 20 0 GHADHO Cn1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019047 1074237305 /nfs/dbraw/zinc/23/73/05/1074237305.db2.gz LOXXCIFXOVDOSN-LAUBAEHRSA-N 1 3 381.549 3.716 20 0 GHADHO C[C@@H]1CN(c2ccccc2CN2CCC(C[NH+]3CCCCCC3)CC2)CCO1 ZINC001474356516 1074360764 /nfs/dbraw/zinc/36/07/64/1074360764.db2.gz JEVLVADCMYLJFC-OAQYLSRUSA-N 1 3 385.596 4.000 20 0 GHADHO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001474465233 1074417972 /nfs/dbraw/zinc/41/79/72/1074417972.db2.gz LSVADHYSINQLEO-NIVCPKKUSA-N 1 3 386.580 3.993 20 0 GHADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cnc(-c3ccccc3F)s1)[C@@H](O)C2 ZINC001550422446 1126206254 /nfs/dbraw/zinc/20/62/54/1126206254.db2.gz WHYAVQXYYWHMHH-JKBKZWBZSA-N 1 3 389.540 3.519 20 0 GHADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cnc(-c3ccccc3F)s1)[C@@H](O)C2 ZINC001550422446 1126206256 /nfs/dbraw/zinc/20/62/56/1126206256.db2.gz WHYAVQXYYWHMHH-JKBKZWBZSA-N 1 3 389.540 3.519 20 0 GHADHO C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824578315 609136775 /nfs/dbraw/zinc/13/67/75/609136775.db2.gz SJODINOUWPRWRJ-MRXNPFEDSA-N 1 3 394.498 3.569 20 0 GHADHO C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824578315 609136776 /nfs/dbraw/zinc/13/67/76/609136776.db2.gz SJODINOUWPRWRJ-MRXNPFEDSA-N 1 3 394.498 3.569 20 0 GHADHO C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824576911 609329002 /nfs/dbraw/zinc/32/90/02/609329002.db2.gz FGQRYSWIALSUBS-INIZCTEOSA-N 1 3 394.498 3.569 20 0 GHADHO C[C@@](O)(CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000180898418 837686477 /nfs/dbraw/zinc/68/64/77/837686477.db2.gz FLFTVOITXOBBKD-JOCHJYFZSA-N 1 3 392.465 3.608 20 0 GHADHO C[C@H]1C[N@H+](CCOc2ccc(CCN[C@@H]3CCCn4ccnc43)cc2)C[C@H]1C ZINC000655739041 837785783 /nfs/dbraw/zinc/78/57/83/837785783.db2.gz USTRBVFWDLWPSB-XQBPLPMBSA-N 1 3 382.552 3.517 20 0 GHADHO C[C@H]1C[N@@H+](CCOc2ccc(CCN[C@@H]3CCCn4ccnc43)cc2)C[C@H]1C ZINC000655739041 837785790 /nfs/dbraw/zinc/78/57/90/837785790.db2.gz USTRBVFWDLWPSB-XQBPLPMBSA-N 1 3 382.552 3.517 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000654983126 834910151 /nfs/dbraw/zinc/91/01/51/834910151.db2.gz VSPFUZNJGQGRAL-VWLOTQADSA-N 1 3 397.607 3.593 20 0 GHADHO CN(C)C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000583824609 835098166 /nfs/dbraw/zinc/09/81/66/835098166.db2.gz CRFYTSSBSBKRKQ-HXUWFJFHSA-N 1 3 388.943 3.504 20 0 GHADHO Cn1cc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000685632362 835239898 /nfs/dbraw/zinc/23/98/98/835239898.db2.gz GOKFASOMLCLCHN-NRFANRHFSA-N 1 3 389.547 3.874 20 0 GHADHO C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274793094 835309486 /nfs/dbraw/zinc/30/94/86/835309486.db2.gz MUZKWNIQXYNLCU-PGRDOPGGSA-N 1 3 377.532 3.596 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1)C1CC1 ZINC000584014674 835439507 /nfs/dbraw/zinc/43/95/07/835439507.db2.gz XQOCHUDDWDNWSH-QFIPXVFZSA-N 1 3 383.511 3.843 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1)C1CC1 ZINC000584014674 835439511 /nfs/dbraw/zinc/43/95/11/835439511.db2.gz XQOCHUDDWDNWSH-QFIPXVFZSA-N 1 3 383.511 3.843 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139199 835466593 /nfs/dbraw/zinc/46/65/93/835466593.db2.gz PJPAVJLWAMDAJT-DYVFJYSZSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139199 835466597 /nfs/dbraw/zinc/46/65/97/835466597.db2.gz PJPAVJLWAMDAJT-DYVFJYSZSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139203 835466610 /nfs/dbraw/zinc/46/66/10/835466610.db2.gz PJPAVJLWAMDAJT-SUMWQHHRSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139203 835466613 /nfs/dbraw/zinc/46/66/13/835466613.db2.gz PJPAVJLWAMDAJT-SUMWQHHRSA-N 1 3 395.366 3.928 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000584108660 835649681 /nfs/dbraw/zinc/64/96/81/835649681.db2.gz NJHSPJKBHHVOKW-WRWLIDTKSA-N 1 3 394.968 3.814 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000584108660 835649682 /nfs/dbraw/zinc/64/96/82/835649682.db2.gz NJHSPJKBHHVOKW-WRWLIDTKSA-N 1 3 394.968 3.814 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657836447 835791015 /nfs/dbraw/zinc/79/10/15/835791015.db2.gz SMYBQTIFPVSANE-AWEZNQCLSA-N 1 3 388.781 3.781 20 0 GHADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3cnc(C4CC4)o3)cc2)C[C@H]1C ZINC000628231916 835929871 /nfs/dbraw/zinc/92/98/71/835929871.db2.gz GKCPBPQJLVTEAS-HDICACEKSA-N 1 3 383.536 3.851 20 0 GHADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3cnc(C4CC4)o3)cc2)C[C@H]1C ZINC000628231916 835929875 /nfs/dbraw/zinc/92/98/75/835929875.db2.gz GKCPBPQJLVTEAS-HDICACEKSA-N 1 3 383.536 3.851 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)CC(C)C ZINC000612336739 836084461 /nfs/dbraw/zinc/08/44/61/836084461.db2.gz HNVXVRKKEHCZIL-FQEVSTJZSA-N 1 3 392.588 3.642 20 0 GHADHO Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)CC2)n1 ZINC000180165950 836100959 /nfs/dbraw/zinc/10/09/59/836100959.db2.gz DFKMDWMYLQRBLU-YFNKSVMNSA-N 1 3 390.575 3.859 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)cc1 ZINC000180640511 836235448 /nfs/dbraw/zinc/23/54/48/836235448.db2.gz OWCBQJGPQCREPF-QRWLVFNGSA-N 1 3 389.337 3.867 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)cc1 ZINC000180640511 836235458 /nfs/dbraw/zinc/23/54/58/836235458.db2.gz OWCBQJGPQCREPF-QRWLVFNGSA-N 1 3 389.337 3.867 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000655550117 836366664 /nfs/dbraw/zinc/36/66/64/836366664.db2.gz GVJPPGVJMXWKEF-QFIPXVFZSA-N 1 3 384.568 3.530 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)c1OC ZINC000414294214 836943627 /nfs/dbraw/zinc/94/36/27/836943627.db2.gz BSUBKYZLQHYJTJ-LJQANCHMSA-N 1 3 398.547 3.690 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000511401432 837038586 /nfs/dbraw/zinc/03/85/86/837038586.db2.gz ZURGVLZJETWFKK-STZQEDGTSA-N 1 3 394.003 3.813 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000511401432 837038600 /nfs/dbraw/zinc/03/86/00/837038600.db2.gz ZURGVLZJETWFKK-STZQEDGTSA-N 1 3 394.003 3.813 20 0 GHADHO O=C1CC[C@@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)[C@H](c2ccccc2)N1 ZINC000414322485 837115486 /nfs/dbraw/zinc/11/54/86/837115486.db2.gz SSJSYSDSHMFBLJ-HMBDZWLESA-N 1 3 389.543 3.507 20 0 GHADHO O=C1CC[C@@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@H](c2ccccc2)N1 ZINC000414322485 837115490 /nfs/dbraw/zinc/11/54/90/837115490.db2.gz SSJSYSDSHMFBLJ-HMBDZWLESA-N 1 3 389.543 3.507 20 0 GHADHO O=C1CC[C@@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@H](c2ccccc2)N1 ZINC000414322485 837115493 /nfs/dbraw/zinc/11/54/93/837115493.db2.gz SSJSYSDSHMFBLJ-HMBDZWLESA-N 1 3 389.543 3.507 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(F)c(F)c1 ZINC000414334605 837181296 /nfs/dbraw/zinc/18/12/96/837181296.db2.gz XMUGFJPZVMCNKW-OAHLLOKOSA-N 1 3 387.474 3.513 20 0 GHADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@@H]1NCc2ccccc21 ZINC000659278131 838062599 /nfs/dbraw/zinc/06/25/99/838062599.db2.gz KNSRPOMZVPWDNS-FQEVSTJZSA-N 1 3 391.519 3.551 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1)C(C)C ZINC000110164976 844311543 /nfs/dbraw/zinc/31/15/43/844311543.db2.gz YJASKHQPIBZMHB-QHCPKHFHSA-N 1 3 381.564 3.820 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1)C(C)C ZINC000110164976 844311555 /nfs/dbraw/zinc/31/15/55/844311555.db2.gz YJASKHQPIBZMHB-QHCPKHFHSA-N 1 3 381.564 3.820 20 0 GHADHO Cc1nc2ccc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)cc2s1 ZINC000414523371 838602067 /nfs/dbraw/zinc/60/20/67/838602067.db2.gz HWJOUFBBAJNLEI-UHFFFAOYSA-N 1 3 381.545 3.721 20 0 GHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275748905 838665877 /nfs/dbraw/zinc/66/58/77/838665877.db2.gz ZWODKWKJFCSZPO-GOSISDBHSA-N 1 3 395.551 3.533 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000415101978 839206956 /nfs/dbraw/zinc/20/69/56/839206956.db2.gz BYKWIWJPYRUSAQ-UGKGYDQZSA-N 1 3 376.541 3.592 20 0 GHADHO [NH3+]C1(CNCc2nc3ccc(F)cc3s2)CCN(Cc2ccccc2)CC1 ZINC000415139964 839266616 /nfs/dbraw/zinc/26/66/16/839266616.db2.gz YHTGEXRUOBOALT-UHFFFAOYSA-N 1 3 384.524 3.519 20 0 GHADHO O[C@H](COc1ccc(Cl)cc1Cl)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972313 839907171 /nfs/dbraw/zinc/90/71/71/839907171.db2.gz RWCAVNOGTFMRFA-KRWDZBQOSA-N 1 3 387.351 3.541 20 0 GHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584111492 840089579 /nfs/dbraw/zinc/08/95/79/840089579.db2.gz HCYRXIGUOYARNX-JLYLLQBASA-N 1 3 397.485 3.516 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000418461719 840261775 /nfs/dbraw/zinc/26/17/75/840261775.db2.gz MGYXEKOUHRBOBP-MOPGFXCFSA-N 1 3 380.536 3.512 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000418487173 840309489 /nfs/dbraw/zinc/30/94/89/840309489.db2.gz JFCYWAOETNJLIK-SFHVURJKSA-N 1 3 380.536 3.512 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511661418 840360634 /nfs/dbraw/zinc/36/06/34/840360634.db2.gz DFSYQYVJGFCUFM-SFTDATJTSA-N 1 3 397.588 3.913 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511661418 840360643 /nfs/dbraw/zinc/36/06/43/840360643.db2.gz DFSYQYVJGFCUFM-SFTDATJTSA-N 1 3 397.588 3.913 20 0 GHADHO Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660573909 840950344 /nfs/dbraw/zinc/95/03/44/840950344.db2.gz LIHRPEDPFQRKIP-QFIPXVFZSA-N 1 3 398.595 3.709 20 0 GHADHO Cc1ccc(COc2ccc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2)cc1 ZINC000584838984 841037019 /nfs/dbraw/zinc/03/70/19/841037019.db2.gz BOJITLGJUKKDKI-QFIPXVFZSA-N 1 3 380.532 3.761 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3ccccc3F)CC2)CC1 ZINC000581319195 841071262 /nfs/dbraw/zinc/07/12/62/841071262.db2.gz UHBDQRAXMXEDAR-QGZVFWFLSA-N 1 3 375.532 3.541 20 0 GHADHO c1ccc(C[NH2+]C2CCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)cc1 ZINC000660678100 841091468 /nfs/dbraw/zinc/09/14/68/841091468.db2.gz RCFQMOCGSJHOAF-RUZDIDTESA-N 1 3 393.575 3.532 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CCC(C[NH2+]CC)CC1)c1ccc(Cl)cc1 ZINC000418186029 841621257 /nfs/dbraw/zinc/62/12/57/841621257.db2.gz RKGKPLBXCSFGQF-FQEVSTJZSA-N 1 3 394.991 3.754 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H](NCc1cccc(OCC[NH+](C)C)c1)CCC2 ZINC000594493781 841707350 /nfs/dbraw/zinc/70/73/50/841707350.db2.gz LGGMHIPEKPMMTF-JOCHJYFZSA-N 1 3 382.504 3.581 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H](c2cccnc2)C2CCCCC2)c1 ZINC000652147981 841996023 /nfs/dbraw/zinc/99/60/23/841996023.db2.gz JDQRQEBBUGSABM-QHCPKHFHSA-N 1 3 394.563 3.784 20 0 GHADHO Cc1cc([C@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)sc1Br ZINC000512032576 842214361 /nfs/dbraw/zinc/21/43/61/842214361.db2.gz VMMRLWMVSIJRAK-KBPBESRZSA-N 1 3 375.376 3.562 20 0 GHADHO COc1cccc(C(=O)N2CCC([N@@H+]3CCCC[C@H]3CCN3CCCC3)CC2)c1 ZINC001167878690 843165923 /nfs/dbraw/zinc/16/59/23/843165923.db2.gz KBPTUKBHHFNQFJ-NRFANRHFSA-N 1 3 399.579 3.640 20 0 GHADHO COc1cccc(C(=O)N2CCC([N@H+]3CCCC[C@H]3CCN3CCCC3)CC2)c1 ZINC001167878690 843165937 /nfs/dbraw/zinc/16/59/37/843165937.db2.gz KBPTUKBHHFNQFJ-NRFANRHFSA-N 1 3 399.579 3.640 20 0 GHADHO c1cc(CN(CCOCCOc2ccccc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000432658100 843357956 /nfs/dbraw/zinc/35/79/56/843357956.db2.gz PDBDPRNNPWCYDH-NRFANRHFSA-N 1 3 386.561 3.788 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662545270 843392141 /nfs/dbraw/zinc/39/21/41/843392141.db2.gz NHBROWLHVPBCAA-UHFFFAOYSA-N 1 3 383.561 3.556 20 0 GHADHO COc1ccccc1-c1nc(C2CC[NH+](CC[C@H]3CCCCN3C)CC2)no1 ZINC000276846903 843544779 /nfs/dbraw/zinc/54/47/79/843544779.db2.gz SXBZZWNQOKVDKS-GOSISDBHSA-N 1 3 384.524 3.799 20 0 GHADHO Cc1nn(-c2ccc(Br)cc2)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000093088682 843642956 /nfs/dbraw/zinc/64/29/56/843642956.db2.gz KYKGPRRXSPWHBE-UHFFFAOYSA-N 1 3 391.357 3.717 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)NC1CCCCC1 ZINC000512621179 844765953 /nfs/dbraw/zinc/76/59/53/844765953.db2.gz VGTCXSDSQOAKIA-MDNUFGMLSA-N 1 3 383.580 3.716 20 0 GHADHO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000512740212 845291659 /nfs/dbraw/zinc/29/16/59/845291659.db2.gz NSNYILOWIQAVEJ-HYBUGGRVSA-N 1 3 393.575 3.820 20 0 GHADHO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000512740212 845291669 /nfs/dbraw/zinc/29/16/69/845291669.db2.gz NSNYILOWIQAVEJ-HYBUGGRVSA-N 1 3 393.575 3.820 20 0 GHADHO C[C@@H](C(=O)Nc1cccc(F)c1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391544 861561241 /nfs/dbraw/zinc/56/12/41/861561241.db2.gz ZDDMLQABHGJYCC-KRWDZBQOSA-N 1 3 384.499 3.786 20 0 GHADHO c1ccc([C@@H](CN2CCOCC2)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000411465833 845482198 /nfs/dbraw/zinc/48/21/98/845482198.db2.gz XZDOWFCHAPOZNR-RUZDIDTESA-N 1 3 393.575 3.836 20 0 GHADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)N1CCc2sccc2C1 ZINC000411546522 845574974 /nfs/dbraw/zinc/57/49/74/845574974.db2.gz ASKAQFJJHIPLFS-MJGOQNOKSA-N 1 3 377.598 3.513 20 0 GHADHO CCOc1c(Cl)cccc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414521219 846276663 /nfs/dbraw/zinc/27/66/63/846276663.db2.gz DYMYWLMARUIBCB-UHFFFAOYSA-N 1 3 388.939 3.855 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000582131446 846431683 /nfs/dbraw/zinc/43/16/83/846431683.db2.gz IEBSWSDEAOEOIT-DNQXCXABSA-N 1 3 397.607 3.977 20 0 GHADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019120 846554757 /nfs/dbraw/zinc/55/47/57/846554757.db2.gz HLXYFWCDDMZNFR-HSZRJFAPSA-N 1 3 394.563 3.840 20 0 GHADHO CCn1c(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)nc2c1cccc2F ZINC000501042897 846566198 /nfs/dbraw/zinc/56/61/98/846566198.db2.gz AIFSHDJJRFVEAS-UHFFFAOYSA-N 1 3 381.499 3.939 20 0 GHADHO CCOc1ccc(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501066042 846597272 /nfs/dbraw/zinc/59/72/72/846597272.db2.gz CDDVFKUSHWMGRW-SFHVURJKSA-N 1 3 396.535 3.656 20 0 GHADHO Cc1ccc(F)cc1NC(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501052684 846603390 /nfs/dbraw/zinc/60/33/90/846603390.db2.gz LKQQSHKXZRPHGR-KRWDZBQOSA-N 1 3 384.499 3.705 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)cc2)CC1 ZINC000501416935 846902896 /nfs/dbraw/zinc/90/28/96/846902896.db2.gz FYGWRCSHZIFOQC-UPVQGACJSA-N 1 3 378.564 3.645 20 0 GHADHO CCc1nc2ccccc2n1C1CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420363979 847140648 /nfs/dbraw/zinc/14/06/48/847140648.db2.gz CGARTNZORDKRCM-LJQANCHMSA-N 1 3 392.547 3.987 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000501755930 847166633 /nfs/dbraw/zinc/16/66/33/847166633.db2.gz MXHXTYSJLNUAHJ-QRVBRYPASA-N 1 3 392.613 3.552 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000501810906 847193208 /nfs/dbraw/zinc/19/32/08/847193208.db2.gz TYOXKMQUGOHHKX-QFIPXVFZSA-N 1 3 386.584 3.587 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501855215 847264503 /nfs/dbraw/zinc/26/45/03/847264503.db2.gz LXLBTRLMVACQEJ-KLJZETAQSA-N 1 3 398.595 3.602 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501855215 847264513 /nfs/dbraw/zinc/26/45/13/847264513.db2.gz LXLBTRLMVACQEJ-KLJZETAQSA-N 1 3 398.595 3.602 20 0 GHADHO COC[C@@H](C)Oc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000657459658 847555854 /nfs/dbraw/zinc/55/58/54/847555854.db2.gz AUWPOACKNNEHNA-LJQANCHMSA-N 1 3 398.547 3.863 20 0 GHADHO [NH3+][C@H]1CCCCC[C@H]1NCCSCCOc1cccc(Br)c1 ZINC000422719278 847795322 /nfs/dbraw/zinc/79/53/22/847795322.db2.gz YHMWEDWXGVYEPL-DLBZAZTESA-N 1 3 387.387 3.811 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000422738851 847804408 /nfs/dbraw/zinc/80/44/08/847804408.db2.gz ZOAVWZRUEPAWFC-MBSDFSHPSA-N 1 3 380.580 3.972 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000422738850 847804778 /nfs/dbraw/zinc/80/47/78/847804778.db2.gz ZOAVWZRUEPAWFC-JPYJTQIMSA-N 1 3 380.580 3.972 20 0 GHADHO C[C@H](CCC[NH3+])N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422797293 847827905 /nfs/dbraw/zinc/82/79/05/847827905.db2.gz LWADSKQVCPJFLN-AUUYWEPGSA-N 1 3 380.941 3.550 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000115628901 847873626 /nfs/dbraw/zinc/87/36/26/847873626.db2.gz DLBUJFCGKPYDDY-RDTXWAMCSA-N 1 3 387.337 3.815 20 0 GHADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894509 847889320 /nfs/dbraw/zinc/88/93/20/847889320.db2.gz UALZJAPGLIQZKN-APWZRJJASA-N 1 3 380.374 3.521 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422949400 847911322 /nfs/dbraw/zinc/91/13/22/847911322.db2.gz UAYQERFDMKFINQ-CQSZACIVSA-N 1 3 381.549 3.778 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423067162 847959837 /nfs/dbraw/zinc/95/98/37/847959837.db2.gz YQUQFXFPGKJLFE-ZBFHGGJFSA-N 1 3 378.442 3.797 20 0 GHADHO Clc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423073202 847964098 /nfs/dbraw/zinc/96/40/98/847964098.db2.gz QXSNINCBLHEUFH-PBWTXFEYSA-N 1 3 398.378 3.709 20 0 GHADHO COc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc2ccccc21 ZINC000657595250 848288282 /nfs/dbraw/zinc/28/82/82/848288282.db2.gz GBBDRMBHBNDCBC-JOCHJYFZSA-N 1 3 376.500 3.705 20 0 GHADHO COc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc2ccccc21 ZINC000657595250 848288292 /nfs/dbraw/zinc/28/82/92/848288292.db2.gz GBBDRMBHBNDCBC-JOCHJYFZSA-N 1 3 376.500 3.705 20 0 GHADHO COc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1OC(C)C ZINC000657613313 848326587 /nfs/dbraw/zinc/32/65/87/848326587.db2.gz XVPABFRHVFLSIZ-UHFFFAOYSA-N 1 3 383.536 3.879 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc(OC)c(Cl)c3)CC2)CC1 ZINC000582795217 848397302 /nfs/dbraw/zinc/39/73/02/848397302.db2.gz YBXVTEVBFGPRCU-UHFFFAOYSA-N 1 3 393.959 3.508 20 0 GHADHO CC(C)CC1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001167633344 848626363 /nfs/dbraw/zinc/62/63/63/848626363.db2.gz DRIIUFCOWCZOFM-FQEVSTJZSA-N 1 3 385.596 3.914 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414853191 849758733 /nfs/dbraw/zinc/75/87/33/849758733.db2.gz SEDNDHCWNHMEMH-CXAGYDPISA-N 1 3 387.446 3.800 20 0 GHADHO Fc1cc(OCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1Cl ZINC000423159619 849777430 /nfs/dbraw/zinc/77/74/30/849777430.db2.gz YLYZWGHDPPKXKG-UYAOXDASSA-N 1 3 376.859 3.703 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H](C)Cc2ccc(OC)c(OC)c2C)cc1 ZINC000423332468 849869200 /nfs/dbraw/zinc/86/92/00/849869200.db2.gz NKSAPDOCEXJIIW-WQTXXOFMSA-N 1 3 398.547 3.687 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000423340650 849873902 /nfs/dbraw/zinc/87/39/02/849873902.db2.gz SUSAEWFXFMUOOV-HSQYWUDLSA-N 1 3 398.547 3.687 20 0 GHADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760971 850058691 /nfs/dbraw/zinc/05/86/91/850058691.db2.gz ZNQOBJMOVVQAGR-APWZRJJASA-N 1 3 397.485 3.820 20 0 GHADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760971 850058693 /nfs/dbraw/zinc/05/86/93/850058693.db2.gz ZNQOBJMOVVQAGR-APWZRJJASA-N 1 3 397.485 3.820 20 0 GHADHO CN(C)CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000192961829 850230569 /nfs/dbraw/zinc/23/05/69/850230569.db2.gz CAJOPWPVYHCPAH-UHFFFAOYSA-N 1 3 394.563 3.556 20 0 GHADHO FC(F)(F)C(F)(F)COCC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000514831632 850362888 /nfs/dbraw/zinc/36/28/88/850362888.db2.gz PBLUQKMPEMEOLD-SJORKVTESA-N 1 3 392.412 3.655 20 0 GHADHO FC(F)(F)C(F)(F)COCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000514831632 850362892 /nfs/dbraw/zinc/36/28/92/850362892.db2.gz PBLUQKMPEMEOLD-SJORKVTESA-N 1 3 392.412 3.655 20 0 GHADHO C[NH+]1CCC(CC(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)CC1 ZINC000487028428 850375138 /nfs/dbraw/zinc/37/51/38/850375138.db2.gz CTKPNFPGUHWOAX-NRFANRHFSA-N 1 3 393.522 3.728 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](F)C1 ZINC001167965330 850491306 /nfs/dbraw/zinc/49/13/06/850491306.db2.gz BERDOKSGGZMCFZ-NWJVMNJYSA-N 1 3 395.563 3.577 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](F)C1 ZINC001167965330 850491319 /nfs/dbraw/zinc/49/13/19/850491319.db2.gz BERDOKSGGZMCFZ-NWJVMNJYSA-N 1 3 395.563 3.577 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414832420 850869619 /nfs/dbraw/zinc/86/96/19/850869619.db2.gz DMEIZYDVTJZNOR-DYVFJYSZSA-N 1 3 382.346 3.663 20 0 GHADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434353934 851024322 /nfs/dbraw/zinc/02/43/22/851024322.db2.gz YGLVOTYAVUORRU-IBGZPJMESA-N 1 3 392.613 3.618 20 0 GHADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1)N1CCCC1 ZINC000436295114 851430756 /nfs/dbraw/zinc/43/07/56/851430756.db2.gz RBBUTDWNGGWJCU-OYTPZHDJSA-N 1 3 395.591 3.668 20 0 GHADHO Brc1ccc2c(c1)C[C@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167960702 851510682 /nfs/dbraw/zinc/51/06/82/851510682.db2.gz AENXEHBOQKHYEW-XUBOLADHSA-N 1 3 375.354 3.911 20 0 GHADHO Brc1ccc2c(c1)C[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167960702 851510693 /nfs/dbraw/zinc/51/06/93/851510693.db2.gz AENXEHBOQKHYEW-XUBOLADHSA-N 1 3 375.354 3.911 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(F)ccc2s1 ZINC000505803720 851524027 /nfs/dbraw/zinc/52/40/27/851524027.db2.gz XCSINOQRBHJBFE-KRWDZBQOSA-N 1 3 377.529 3.529 20 0 GHADHO CCN(CCc1ccccc1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488514075 851579177 /nfs/dbraw/zinc/57/91/77/851579177.db2.gz MRNVQKPKDGJCFL-NRFANRHFSA-N 1 3 393.575 3.720 20 0 GHADHO CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167982022 852023004 /nfs/dbraw/zinc/02/30/04/852023004.db2.gz TWLBZRCIQUIPOQ-VTHDOGFWSA-N 1 3 391.600 3.873 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000506921252 852338441 /nfs/dbraw/zinc/33/84/41/852338441.db2.gz HRZPDOOCGFEZPL-MZYLBHOOSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000506921252 852338450 /nfs/dbraw/zinc/33/84/50/852338450.db2.gz HRZPDOOCGFEZPL-MZYLBHOOSA-N 1 3 398.595 3.557 20 0 GHADHO O[C@H](CNC1CC[NH+](CC2CC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000519598667 852772876 /nfs/dbraw/zinc/77/28/76/852772876.db2.gz RNPRURIZSSCLAU-HXUWFJFHSA-N 1 3 377.532 3.619 20 0 GHADHO O=C(C1CCC1)N(CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CC1 ZINC000507497435 852958760 /nfs/dbraw/zinc/95/87/60/852958760.db2.gz RQPOLCIEHFZAPX-YFNKSVMNSA-N 1 3 395.591 3.668 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595413 853029600 /nfs/dbraw/zinc/02/96/00/853029600.db2.gz HHFPDQVGXABIJL-TYPHKJRUSA-N 1 3 398.551 3.625 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595413 853029610 /nfs/dbraw/zinc/02/96/10/853029610.db2.gz HHFPDQVGXABIJL-TYPHKJRUSA-N 1 3 398.551 3.625 20 0 GHADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H]2CCNC(=O)CC2)CC1 ZINC000294903244 853066568 /nfs/dbraw/zinc/06/65/68/853066568.db2.gz HJWRKNSIUXEPGF-INIZCTEOSA-N 1 3 397.485 3.518 20 0 GHADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H]2CCNC(=O)CC2)CC1 ZINC000294903244 853066573 /nfs/dbraw/zinc/06/65/73/853066573.db2.gz HJWRKNSIUXEPGF-INIZCTEOSA-N 1 3 397.485 3.518 20 0 GHADHO CN(c1ccccc1CNCc1ccc2c(c1)CCCN2)C1CC[NH+](C)CC1 ZINC000414979375 853247285 /nfs/dbraw/zinc/24/72/85/853247285.db2.gz NUIWBAJWKLZKRZ-UHFFFAOYSA-N 1 3 378.564 3.865 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000187987380 853291848 /nfs/dbraw/zinc/29/18/48/853291848.db2.gz DGSYFVKGPTUAGL-UNMCSNQZSA-N 1 3 383.511 3.764 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000187987380 853291857 /nfs/dbraw/zinc/29/18/57/853291857.db2.gz DGSYFVKGPTUAGL-UNMCSNQZSA-N 1 3 383.511 3.764 20 0 GHADHO C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000518435888 853345370 /nfs/dbraw/zinc/34/53/70/853345370.db2.gz QAXXJEJUQYGSJF-HXUWFJFHSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000518518582 853463012 /nfs/dbraw/zinc/46/30/12/853463012.db2.gz CCDUTCKDXVVYOO-NRSPTQNISA-N 1 3 393.531 3.550 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000518518582 853463019 /nfs/dbraw/zinc/46/30/19/853463019.db2.gz CCDUTCKDXVVYOO-NRSPTQNISA-N 1 3 393.531 3.550 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@@H](C(C)(C)C)CC3)CC2)CC1 ZINC000188177105 853819082 /nfs/dbraw/zinc/81/90/82/853819082.db2.gz JVVXELXDTPNDNU-RTBURBONSA-N 1 3 392.632 3.839 20 0 GHADHO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000571607453 853958113 /nfs/dbraw/zinc/95/81/13/853958113.db2.gz GEQUPDPVXSHEGD-QFIPXVFZSA-N 1 3 396.531 3.630 20 0 GHADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc2ccccc21 ZINC000112542212 854246410 /nfs/dbraw/zinc/24/64/10/854246410.db2.gz CKSNJBKDYDFNCL-SFHVURJKSA-N 1 3 375.516 3.982 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc4nc(C)ccc4c3)cc2)CC1 ZINC000189258514 855063463 /nfs/dbraw/zinc/06/34/63/855063463.db2.gz XFMCKGZKWVNNQJ-UHFFFAOYSA-N 1 3 388.559 3.971 20 0 GHADHO CN1CCCC[C@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000623657612 855079012 /nfs/dbraw/zinc/07/90/12/855079012.db2.gz VKTYJEUWTDLCBK-QGZVFWFLSA-N 1 3 394.401 3.735 20 0 GHADHO Cc1ccc2cc(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)ccc2n1 ZINC000189427321 855092261 /nfs/dbraw/zinc/09/22/61/855092261.db2.gz WZEUNMSRKXKMEU-HSZRJFAPSA-N 1 3 375.516 3.790 20 0 GHADHO Cc1ccc2cc(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)ccc2n1 ZINC000189427321 855092268 /nfs/dbraw/zinc/09/22/68/855092268.db2.gz WZEUNMSRKXKMEU-HSZRJFAPSA-N 1 3 375.516 3.790 20 0 GHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(OCCO)CCC(F)(F)CC3)CC2)C1 ZINC000624102044 862652253 /nfs/dbraw/zinc/65/22/53/862652253.db2.gz IXAVQCZPQQRIPH-PKOBYXMFSA-N 1 3 388.543 3.576 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190583663 855461527 /nfs/dbraw/zinc/46/15/27/855461527.db2.gz ZPKWNQVCOGAYDM-KRWDZBQOSA-N 1 3 386.403 3.579 20 0 GHADHO COCCCN1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000237203649 855767862 /nfs/dbraw/zinc/76/78/62/855767862.db2.gz ZVXPEVJYCOGBBD-UHFFFAOYSA-N 1 3 385.335 3.860 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000765889265 855909352 /nfs/dbraw/zinc/90/93/52/855909352.db2.gz YKYIEWBJWNYVBN-MALGCSLJSA-N 1 3 398.595 3.603 20 0 GHADHO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000760883522 856213644 /nfs/dbraw/zinc/21/36/44/856213644.db2.gz BTDVNTQLZWZSQI-RBDMOPTHSA-N 1 3 376.541 3.526 20 0 GHADHO COc1cc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1SC ZINC000658135644 856766921 /nfs/dbraw/zinc/76/69/21/856766921.db2.gz AEPRCMNDUZUGMN-UZLBHIALSA-N 1 3 386.561 3.835 20 0 GHADHO COc1cc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1SC ZINC000658135644 856766929 /nfs/dbraw/zinc/76/69/29/856766929.db2.gz AEPRCMNDUZUGMN-UZLBHIALSA-N 1 3 386.561 3.835 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465947688 857190851 /nfs/dbraw/zinc/19/08/51/857190851.db2.gz ICTXLMRKJMRLPU-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465947688 857190854 /nfs/dbraw/zinc/19/08/54/857190854.db2.gz ICTXLMRKJMRLPU-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(CN2CCCC2)c1 ZINC000060562655 857458307 /nfs/dbraw/zinc/45/83/07/857458307.db2.gz BFYXPNMCCUXBJD-UHFFFAOYSA-N 1 3 377.532 3.677 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC(C)C)cc3C)CC2)CC1 ZINC000521064602 857552394 /nfs/dbraw/zinc/55/23/94/857552394.db2.gz FNOZQSNGFSSMQE-UHFFFAOYSA-N 1 3 387.568 3.917 20 0 GHADHO COc1ccc([C@@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000675882875 857660108 /nfs/dbraw/zinc/66/01/08/857660108.db2.gz UKYYSWXGLZUHMW-PBHICJAKSA-N 1 3 397.357 3.752 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCOc3ccc(OCC)cc32)[C@H](C)C1 ZINC000675885257 857661144 /nfs/dbraw/zinc/66/11/44/857661144.db2.gz NEAUCYIHKHAVLR-QMMLZNLJSA-N 1 3 376.541 3.636 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000065448363 857797848 /nfs/dbraw/zinc/79/78/48/857797848.db2.gz QGBVWVZGMWJOAC-FQEVSTJZSA-N 1 3 378.605 3.549 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000065448363 857797852 /nfs/dbraw/zinc/79/78/52/857797852.db2.gz QGBVWVZGMWJOAC-FQEVSTJZSA-N 1 3 378.605 3.549 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000065469868 857801703 /nfs/dbraw/zinc/80/17/03/857801703.db2.gz BDFOQOYBCZFIBF-QHCPKHFHSA-N 1 3 396.579 3.937 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000065469868 857801705 /nfs/dbraw/zinc/80/17/05/857801705.db2.gz BDFOQOYBCZFIBF-QHCPKHFHSA-N 1 3 396.579 3.937 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)[C@@H](C)C1 ZINC000676541213 857933393 /nfs/dbraw/zinc/93/33/93/857933393.db2.gz PSQRFWFNGODJTA-BVSLBCMMSA-N 1 3 386.584 3.585 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)[C@@H](C)C1 ZINC000676541213 857933395 /nfs/dbraw/zinc/93/33/95/857933395.db2.gz PSQRFWFNGODJTA-BVSLBCMMSA-N 1 3 386.584 3.585 20 0 GHADHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC1 ZINC000466092727 858181207 /nfs/dbraw/zinc/18/12/07/858181207.db2.gz ITBHKOQHQFJLRI-UHFFFAOYSA-N 1 3 394.991 3.535 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000442880647 858202589 /nfs/dbraw/zinc/20/25/89/858202589.db2.gz ZFGGHLJBSDSHJX-RTBURBONSA-N 1 3 383.502 3.957 20 0 GHADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000594969854 858334103 /nfs/dbraw/zinc/33/41/03/858334103.db2.gz QXEJBGPFPUCXEN-UGKGYDQZSA-N 1 3 387.568 3.785 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCC2([NH+](C)C)CCCC2)c2cccs2)CC1 ZINC000642630298 858498127 /nfs/dbraw/zinc/49/81/27/858498127.db2.gz UGAPDIASZVKCKX-SFHVURJKSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)c(Cl)c1 ZINC000658002793 863052862 /nfs/dbraw/zinc/05/28/62/863052862.db2.gz NSUCJGAMLOPRDI-CYBMUJFWSA-N 1 3 388.781 3.779 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)cc2)CC1 ZINC000474064093 858749274 /nfs/dbraw/zinc/74/92/74/858749274.db2.gz XZPGCLIRXRKNNX-RBZQAINGSA-N 1 3 385.596 3.509 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000922971132 858908986 /nfs/dbraw/zinc/90/89/86/858908986.db2.gz HMMRIBVEOFMRPK-VMIIQTFKSA-N 1 3 399.579 3.828 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000922971132 858908995 /nfs/dbraw/zinc/90/89/95/858908995.db2.gz HMMRIBVEOFMRPK-VMIIQTFKSA-N 1 3 399.579 3.828 20 0 GHADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000482875672 858934171 /nfs/dbraw/zinc/93/41/71/858934171.db2.gz MCLJSTPHQOLTTF-LJQANCHMSA-N 1 3 379.548 3.947 20 0 GHADHO CC(C)CCOc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482888279 858943180 /nfs/dbraw/zinc/94/31/80/858943180.db2.gz MHKDRZFEEYKBBX-IBGZPJMESA-N 1 3 389.584 3.705 20 0 GHADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000185038966 859034030 /nfs/dbraw/zinc/03/40/30/859034030.db2.gz YYQODHZLLBCCIF-ZCNNSNEGSA-N 1 3 380.598 3.505 20 0 GHADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000185038966 859034036 /nfs/dbraw/zinc/03/40/36/859034036.db2.gz YYQODHZLLBCCIF-ZCNNSNEGSA-N 1 3 380.598 3.505 20 0 GHADHO CN(C)[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000113577946 859224645 /nfs/dbraw/zinc/22/46/45/859224645.db2.gz BYNOHMALDIFLCK-QHCPKHFHSA-N 1 3 394.563 3.595 20 0 GHADHO O[C@@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)COCc1cccs1 ZINC000380759477 859279828 /nfs/dbraw/zinc/27/98/28/859279828.db2.gz XGRGCITWHWMRFN-SFTDATJTSA-N 1 3 388.577 3.518 20 0 GHADHO O[C@@H](CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759477 859279836 /nfs/dbraw/zinc/27/98/36/859279836.db2.gz XGRGCITWHWMRFN-SFTDATJTSA-N 1 3 388.577 3.518 20 0 GHADHO O[C@@H](CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759477 859279844 /nfs/dbraw/zinc/27/98/44/859279844.db2.gz XGRGCITWHWMRFN-SFTDATJTSA-N 1 3 388.577 3.518 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3cc4cnccc4o3)C2)ccn1 ZINC000856557761 881407244 /nfs/dbraw/zinc/40/72/44/881407244.db2.gz BKFWKECJZRXCGL-FQEVSTJZSA-N 1 3 380.492 3.716 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3cc4cnccc4o3)C2)ccn1 ZINC000856557761 881407309 /nfs/dbraw/zinc/40/73/09/881407309.db2.gz BKFWKECJZRXCGL-FQEVSTJZSA-N 1 3 380.492 3.716 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@@H]2CCC[C@H]21 ZINC000671743459 859448641 /nfs/dbraw/zinc/44/86/41/859448641.db2.gz NKKVFGAGRUNXMA-OKZBNKHCSA-N 1 3 378.442 3.854 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@@H]2CCC[C@H]21 ZINC000671743459 859448646 /nfs/dbraw/zinc/44/86/46/859448646.db2.gz NKKVFGAGRUNXMA-OKZBNKHCSA-N 1 3 378.442 3.854 20 0 GHADHO C[C@H](CCN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)[NH+]1CCCCC1 ZINC000543393038 859539213 /nfs/dbraw/zinc/53/92/13/859539213.db2.gz PLPWIDXZZBPEBO-ZWKOTPCHSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)N1CCCCC1 ZINC000543393038 859539223 /nfs/dbraw/zinc/53/92/23/859539223.db2.gz PLPWIDXZZBPEBO-ZWKOTPCHSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000764714297 859578900 /nfs/dbraw/zinc/57/89/00/859578900.db2.gz DUCUJEDUWKYORM-DENIHFKCSA-N 1 3 377.532 3.956 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000764714297 859578911 /nfs/dbraw/zinc/57/89/11/859578911.db2.gz DUCUJEDUWKYORM-DENIHFKCSA-N 1 3 377.532 3.956 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C[C@@H]1C ZINC000483761013 859595395 /nfs/dbraw/zinc/59/53/95/859595395.db2.gz PZWCNGXZQUHNNT-ILWGZMRPSA-N 1 3 386.584 3.646 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C[C@@H]1C ZINC000483761013 859595409 /nfs/dbraw/zinc/59/54/09/859595409.db2.gz PZWCNGXZQUHNNT-ILWGZMRPSA-N 1 3 386.584 3.646 20 0 GHADHO Cc1cc(C)c(CC(C(=O)Nc2cnn(CC[NH+](C)C)c2)C(F)(F)F)c(C)c1 ZINC000611115019 859611489 /nfs/dbraw/zinc/61/14/89/859611489.db2.gz KNSYRRHEVMLTAZ-GOSISDBHSA-N 1 3 396.457 3.730 20 0 GHADHO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1C ZINC000856561343 881445065 /nfs/dbraw/zinc/44/50/65/881445065.db2.gz NSTHXZBNPRLMRN-JOCHJYFZSA-N 1 3 383.536 3.892 20 0 GHADHO COc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1C ZINC000856561343 881445076 /nfs/dbraw/zinc/44/50/76/881445076.db2.gz NSTHXZBNPRLMRN-JOCHJYFZSA-N 1 3 383.536 3.892 20 0 GHADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000611254636 859667796 /nfs/dbraw/zinc/66/77/96/859667796.db2.gz ZYEOBIHTAOUMTK-LJQANCHMSA-N 1 3 388.552 3.715 20 0 GHADHO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000543429996 859689763 /nfs/dbraw/zinc/68/97/63/859689763.db2.gz WRRVOAJARZIXAX-DYXWJJEUSA-N 1 3 396.531 3.800 20 0 GHADHO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC000729545272 859731062 /nfs/dbraw/zinc/73/10/62/859731062.db2.gz RMUUQVULRHULFQ-RTBURBONSA-N 1 3 386.584 3.666 20 0 GHADHO CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC000729545272 859731067 /nfs/dbraw/zinc/73/10/67/859731067.db2.gz RMUUQVULRHULFQ-RTBURBONSA-N 1 3 386.584 3.666 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000765126264 859804815 /nfs/dbraw/zinc/80/48/15/859804815.db2.gz JJDNDEWDPVLHEV-WDSOQIARSA-N 1 3 391.556 3.581 20 0 GHADHO CCCn1nc(C)c(CN2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1C ZINC000856562163 881471515 /nfs/dbraw/zinc/47/15/15/881471515.db2.gz ZFGCKJKOUNQMRG-QFIPXVFZSA-N 1 3 399.583 3.798 20 0 GHADHO CCCn1nc(C)c(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C ZINC000856562163 881471522 /nfs/dbraw/zinc/47/15/22/881471522.db2.gz ZFGCKJKOUNQMRG-QFIPXVFZSA-N 1 3 399.583 3.798 20 0 GHADHO CC(C)[C@@H](C)N1Cc2ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc2C1 ZINC000727086645 859920353 /nfs/dbraw/zinc/92/03/53/859920353.db2.gz ORUGQKNGFCROOV-MRXNPFEDSA-N 1 3 376.614 3.921 20 0 GHADHO Cn1c2ccc(CN3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)cc2oc1=O ZINC000508967235 860320786 /nfs/dbraw/zinc/32/07/86/860320786.db2.gz ZCLLRUMRTARGDY-UHFFFAOYSA-N 1 3 391.515 3.620 20 0 GHADHO Cn1c2ccc(CN3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cc2oc1=O ZINC000508967235 860320797 /nfs/dbraw/zinc/32/07/97/860320797.db2.gz ZCLLRUMRTARGDY-UHFFFAOYSA-N 1 3 391.515 3.620 20 0 GHADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168037290 860409799 /nfs/dbraw/zinc/40/97/99/860409799.db2.gz XKDYWYXBXDTDFS-IYRWYFENSA-N 1 3 383.580 3.809 20 0 GHADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037290 860409803 /nfs/dbraw/zinc/40/98/03/860409803.db2.gz XKDYWYXBXDTDFS-IYRWYFENSA-N 1 3 383.580 3.809 20 0 GHADHO Cn1cc(-c2ccc(CNCc3ccc(OCCC[NH+](C)C)cc3)s2)cn1 ZINC000282154632 860471003 /nfs/dbraw/zinc/47/10/03/860471003.db2.gz CEQJBNAGLQAPQJ-UHFFFAOYSA-N 1 3 384.549 3.769 20 0 GHADHO CC(C)N1CCN(Cc2ccc(N3C[C@@H](CC[NH3+])c4ccccc43)c(F)c2)CC1 ZINC001168555647 860589507 /nfs/dbraw/zinc/58/95/07/860589507.db2.gz PNPNCBCSTCSLAE-HXUWFJFHSA-N 1 3 396.554 3.936 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)ccn1 ZINC000856598097 881571877 /nfs/dbraw/zinc/57/18/77/881571877.db2.gz GDFQUIYTJXPPNP-JOCHJYFZSA-N 1 3 387.499 3.593 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCOc3ccc(F)cc3)C2)ccn1 ZINC000856598097 881571884 /nfs/dbraw/zinc/57/18/84/881571884.db2.gz GDFQUIYTJXPPNP-JOCHJYFZSA-N 1 3 387.499 3.593 20 0 GHADHO Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(C(C)C)cc1Cl ZINC000429026887 860744203 /nfs/dbraw/zinc/74/42/03/860744203.db2.gz AINANYIREGOGCJ-UTKZUKDTSA-N 1 3 380.960 3.539 20 0 GHADHO Cc1cc(OC[C@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(C(C)C)cc1Cl ZINC000429026887 860744209 /nfs/dbraw/zinc/74/42/09/860744209.db2.gz AINANYIREGOGCJ-UTKZUKDTSA-N 1 3 380.960 3.539 20 0 GHADHO COc1ccc(CC[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856600381 881576430 /nfs/dbraw/zinc/57/64/30/881576430.db2.gz ZAVRUOGGVDLEPE-HSZRJFAPSA-N 1 3 383.536 3.626 20 0 GHADHO COc1ccc(CC[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856600381 881576442 /nfs/dbraw/zinc/57/64/42/881576442.db2.gz ZAVRUOGGVDLEPE-HSZRJFAPSA-N 1 3 383.536 3.626 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605512 881580629 /nfs/dbraw/zinc/58/06/29/881580629.db2.gz CNKYEQQULKPRLW-MSOLQXFVSA-N 1 3 386.367 3.959 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605512 881580640 /nfs/dbraw/zinc/58/06/40/881580640.db2.gz CNKYEQQULKPRLW-MSOLQXFVSA-N 1 3 386.367 3.959 20 0 GHADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000429063359 860933674 /nfs/dbraw/zinc/93/36/74/860933674.db2.gz HMOFHSVBKBAMDH-QHCPKHFHSA-N 1 3 377.532 3.658 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 ZINC001168528893 861002811 /nfs/dbraw/zinc/00/28/11/861002811.db2.gz OIPKUXBAUVQHLL-ZJIFWQFVSA-N 1 3 393.494 3.779 20 0 GHADHO COc1ccccc1-c1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000532270653 881642065 /nfs/dbraw/zinc/64/20/65/881642065.db2.gz RRGBPORNPCHNKN-GOTSBHOMSA-N 1 3 380.532 3.830 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000482523667 863263941 /nfs/dbraw/zinc/26/39/41/863263941.db2.gz NTSDVVADMHTXBP-GOSISDBHSA-N 1 3 385.508 3.560 20 0 GHADHO COc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1OCc1ccccc1 ZINC000537629882 881688978 /nfs/dbraw/zinc/68/89/78/881688978.db2.gz CWNUSMDFJALIFV-UHFFFAOYSA-N 1 3 398.547 3.817 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C[C@H](C)O1 ZINC000132737387 881690699 /nfs/dbraw/zinc/69/06/99/881690699.db2.gz MSNOVPXDHZWYNP-RVKKMQEKSA-N 1 3 385.474 3.957 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccsc1 ZINC000606637867 863762593 /nfs/dbraw/zinc/76/25/93/863762593.db2.gz ILNTYGOXQNEKOQ-HXUWFJFHSA-N 1 3 392.613 3.791 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccsc1 ZINC000606637867 863762597 /nfs/dbraw/zinc/76/25/97/863762597.db2.gz ILNTYGOXQNEKOQ-HXUWFJFHSA-N 1 3 392.613 3.791 20 0 GHADHO C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)N(C)Cc1ccccc1 ZINC000554215313 863909073 /nfs/dbraw/zinc/90/90/73/863909073.db2.gz GPTVJCZKAJKNSA-FQEVSTJZSA-N 1 3 379.548 3.923 20 0 GHADHO CC(C)[NH+]1CCN(CCCN[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000856777451 881737647 /nfs/dbraw/zinc/73/76/47/881737647.db2.gz BHRAHYSHQGBNOX-AWEZNQCLSA-N 1 3 392.897 3.821 20 0 GHADHO C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000164189013 864598820 /nfs/dbraw/zinc/59/88/20/864598820.db2.gz NIOPKPSHGCNSMF-LJQANCHMSA-N 1 3 390.535 3.889 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@@H](C)C1 ZINC000480471966 864715786 /nfs/dbraw/zinc/71/57/86/864715786.db2.gz QPTIMKKQSISPSJ-CYFREDJKSA-N 1 3 398.595 3.775 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)CC1 ZINC000480478561 864724371 /nfs/dbraw/zinc/72/43/71/864724371.db2.gz CQNLCPMRFFWMBM-QFIPXVFZSA-N 1 3 395.595 3.643 20 0 GHADHO Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nc(N)n1 ZINC000735490552 864827100 /nfs/dbraw/zinc/82/71/00/864827100.db2.gz UGKVWIXWYMEXFO-PBHICJAKSA-N 1 3 379.430 3.881 20 0 GHADHO Cc1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nc(N)n1 ZINC000735490552 864827119 /nfs/dbraw/zinc/82/71/19/864827119.db2.gz UGKVWIXWYMEXFO-PBHICJAKSA-N 1 3 379.430 3.881 20 0 GHADHO c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc(Oc5cnccn5)cc4)C[C@@H]3C2)cc1 ZINC000475353140 864840291 /nfs/dbraw/zinc/84/02/91/864840291.db2.gz WBBDHXOPJIPHDG-SZPZYZBQSA-N 1 3 386.499 3.833 20 0 GHADHO c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc(Oc5cnccn5)cc4)C[C@@H]3C2)cc1 ZINC000475353140 864840300 /nfs/dbraw/zinc/84/03/00/864840300.db2.gz WBBDHXOPJIPHDG-SZPZYZBQSA-N 1 3 386.499 3.833 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000554833972 865015912 /nfs/dbraw/zinc/01/59/12/865015912.db2.gz RQHOAJFVSYMVPZ-XMMPIXPASA-N 1 3 396.575 3.914 20 0 GHADHO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000132952687 881832016 /nfs/dbraw/zinc/83/20/16/881832016.db2.gz VKKUDRZEXROCPP-KRWDZBQOSA-N 1 3 382.552 3.888 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000738521122 865550464 /nfs/dbraw/zinc/55/04/64/865550464.db2.gz FOXVEJZQMPBTIN-JOCHJYFZSA-N 1 3 397.538 3.758 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000248397285 865637189 /nfs/dbraw/zinc/63/71/89/865637189.db2.gz HUEWMWQXJXKQHY-NAVOZUGXSA-N 1 3 395.591 3.668 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248397285 865637194 /nfs/dbraw/zinc/63/71/94/865637194.db2.gz HUEWMWQXJXKQHY-NAVOZUGXSA-N 1 3 395.591 3.668 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248397285 865637202 /nfs/dbraw/zinc/63/72/02/865637202.db2.gz HUEWMWQXJXKQHY-NAVOZUGXSA-N 1 3 395.591 3.668 20 0 GHADHO CCC(CC)(CNC(=O)Nc1cnc2c(c1)CNCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000667795850 865651732 /nfs/dbraw/zinc/65/17/32/865651732.db2.gz RZCYEAQPZNIKRN-KRWDZBQOSA-N 1 3 395.551 3.758 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001170424434 881898385 /nfs/dbraw/zinc/89/83/85/881898385.db2.gz KQYVZCJNNFRDAG-OAQYLSRUSA-N 1 3 381.520 3.633 20 0 GHADHO Cc1ccc2nccc(NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)c2c1 ZINC000302138649 865729473 /nfs/dbraw/zinc/72/94/73/865729473.db2.gz CPWPGWBDDJWEOJ-FQEVSTJZSA-N 1 3 388.515 3.853 20 0 GHADHO Cc1ccc2nccc(NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)c2c1 ZINC000302138649 865729480 /nfs/dbraw/zinc/72/94/80/865729480.db2.gz CPWPGWBDDJWEOJ-FQEVSTJZSA-N 1 3 388.515 3.853 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000533986206 865884400 /nfs/dbraw/zinc/88/44/00/865884400.db2.gz NHBCYSZSOCGBCP-SKWRMQMOSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000533986206 865884411 /nfs/dbraw/zinc/88/44/11/865884411.db2.gz NHBCYSZSOCGBCP-SKWRMQMOSA-N 1 3 398.595 3.728 20 0 GHADHO CSc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481197017 865989175 /nfs/dbraw/zinc/98/91/75/865989175.db2.gz ZPDIKBPWBAVNIF-UWJYYQICSA-N 1 3 383.561 3.847 20 0 GHADHO FC(F)(F)c1ccn(-c2ccc(C[NH2+]C3CC(N4CCCCC4)C3)cc2)n1 ZINC000475579503 866414488 /nfs/dbraw/zinc/41/44/88/866414488.db2.gz HZGRNGNZVGARML-UHFFFAOYSA-N 1 3 378.442 3.998 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001170428386 882032762 /nfs/dbraw/zinc/03/27/62/882032762.db2.gz HQUWEMUAKIAZNK-HXUWFJFHSA-N 1 3 384.495 3.912 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000154285998 867335670 /nfs/dbraw/zinc/33/56/70/867335670.db2.gz IKHOLUXUBWJOSM-KRWDZBQOSA-N 1 3 398.414 3.603 20 0 GHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000534721399 867366469 /nfs/dbraw/zinc/36/64/69/867366469.db2.gz GJKUOWSQXHZOQV-PKTZIBPZSA-N 1 3 394.563 3.514 20 0 GHADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436406 867753027 /nfs/dbraw/zinc/75/30/27/867753027.db2.gz IOBNZPILLLMPAC-HNAYVOBHSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436406 867753032 /nfs/dbraw/zinc/75/30/32/867753032.db2.gz IOBNZPILLLMPAC-HNAYVOBHSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000535018504 867939746 /nfs/dbraw/zinc/93/97/46/867939746.db2.gz KWLWPDVIRBOTOF-AUSIDOKSSA-N 1 3 398.595 3.776 20 0 GHADHO CCc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156893903 868495288 /nfs/dbraw/zinc/49/52/88/868495288.db2.gz JJPFGFMHUDTVPZ-JPYJTQIMSA-N 1 3 379.548 3.797 20 0 GHADHO CCc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156893903 868495295 /nfs/dbraw/zinc/49/52/95/868495295.db2.gz JJPFGFMHUDTVPZ-JPYJTQIMSA-N 1 3 379.548 3.797 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000156953810 868513519 /nfs/dbraw/zinc/51/35/19/868513519.db2.gz RBDAEJVHPXUFRD-DENIHFKCSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000156953810 868513531 /nfs/dbraw/zinc/51/35/31/868513531.db2.gz RBDAEJVHPXUFRD-DENIHFKCSA-N 1 3 397.950 3.814 20 0 GHADHO Cc1cc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc(C)c1F ZINC000156972961 868518180 /nfs/dbraw/zinc/51/81/80/868518180.db2.gz GULJRDAIORZCSU-RXVVDRJESA-N 1 3 397.538 3.991 20 0 GHADHO Cc1cc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc(C)c1F ZINC000156972961 868518183 /nfs/dbraw/zinc/51/81/83/868518183.db2.gz GULJRDAIORZCSU-RXVVDRJESA-N 1 3 397.538 3.991 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000157144740 868571723 /nfs/dbraw/zinc/57/17/23/868571723.db2.gz XMHCTEDFKSAASX-UHFFFAOYSA-N 1 3 398.378 3.601 20 0 GHADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000479875449 868641837 /nfs/dbraw/zinc/64/18/37/868641837.db2.gz QQFBTRHRZZHVGY-PTUXOGIPSA-N 1 3 381.564 3.798 20 0 GHADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000479875449 868641842 /nfs/dbraw/zinc/64/18/42/868641842.db2.gz QQFBTRHRZZHVGY-PTUXOGIPSA-N 1 3 381.564 3.798 20 0 GHADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)N(C)C)c1 ZINC000479864477 868660808 /nfs/dbraw/zinc/66/08/08/868660808.db2.gz ULABXXWRZPTUPK-FOVJLYNBSA-N 1 3 381.564 3.798 20 0 GHADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N(C)C)c1 ZINC000479864477 868660813 /nfs/dbraw/zinc/66/08/13/868660813.db2.gz ULABXXWRZPTUPK-FOVJLYNBSA-N 1 3 381.564 3.798 20 0 GHADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N(C)C)c1 ZINC000479864477 868660817 /nfs/dbraw/zinc/66/08/17/868660817.db2.gz ULABXXWRZPTUPK-FOVJLYNBSA-N 1 3 381.564 3.798 20 0 GHADHO Cc1cc(NC(=O)c2cccc(CN(C)C)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190792795 882272483 /nfs/dbraw/zinc/27/24/83/882272483.db2.gz RUXVHFXQKSYPQE-UHFFFAOYSA-N 1 3 394.563 3.839 20 0 GHADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000446265456 869649007 /nfs/dbraw/zinc/64/90/07/869649007.db2.gz FFCYOAQSDUJSSZ-TXTKFYIRSA-N 1 3 385.552 3.534 20 0 GHADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000539909003 870006039 /nfs/dbraw/zinc/00/60/39/870006039.db2.gz OROWFPIXDZNGMY-QFIPXVFZSA-N 1 3 392.547 3.571 20 0 GHADHO CC[N@H+](CCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1)CC1CC1 ZINC000540049991 870275866 /nfs/dbraw/zinc/27/58/66/870275866.db2.gz VJEVITQVLKPVEX-UHFFFAOYSA-N 1 3 382.552 3.712 20 0 GHADHO CC[N@@H+](CCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1)CC1CC1 ZINC000540049991 870275872 /nfs/dbraw/zinc/27/58/72/870275872.db2.gz VJEVITQVLKPVEX-UHFFFAOYSA-N 1 3 382.552 3.712 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCOCC4CCOCC4)[C@H]3C2)cc1 ZINC000248392835 870361823 /nfs/dbraw/zinc/36/18/23/870361823.db2.gz DILVEMTXBWBNKK-KMDXXIMOSA-N 1 3 386.580 3.710 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(Br)c1 ZINC000248458829 870435787 /nfs/dbraw/zinc/43/57/87/870435787.db2.gz VETROZUYYWFJQB-FOIQADDNSA-N 1 3 389.337 3.867 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Br)c1 ZINC000248458829 870435793 /nfs/dbraw/zinc/43/57/93/870435793.db2.gz VETROZUYYWFJQB-FOIQADDNSA-N 1 3 389.337 3.867 20 0 GHADHO CC[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Br)cc1Cl ZINC000446831331 870506832 /nfs/dbraw/zinc/50/68/32/870506832.db2.gz CXEYAPZMSGTCOT-OAHLLOKOSA-N 1 3 375.738 3.600 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000248801561 870640002 /nfs/dbraw/zinc/64/00/02/870640002.db2.gz JTERWPMWBQIMRD-DYESRHJHSA-N 1 3 391.515 3.745 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCS2 ZINC000248848504 870661723 /nfs/dbraw/zinc/66/17/23/870661723.db2.gz PPPODWNLOURBMP-NQIIRXRSSA-N 1 3 384.545 3.589 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCS2 ZINC000248848504 870661730 /nfs/dbraw/zinc/66/17/30/870661730.db2.gz PPPODWNLOURBMP-NQIIRXRSSA-N 1 3 384.545 3.589 20 0 GHADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCN(C(=O)CC(F)(F)F)CC3)CC2)C1 ZINC000540180519 870697174 /nfs/dbraw/zinc/69/71/74/870697174.db2.gz DZHLLSBNOWZWBP-YJBOKZPZSA-N 1 3 389.506 3.563 20 0 GHADHO CC(C)[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299689 870939059 /nfs/dbraw/zinc/93/90/59/870939059.db2.gz QQFKNUVCXZLEBC-AEFFLSMTSA-N 1 3 385.474 3.580 20 0 GHADHO CC(C)[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299689 870939070 /nfs/dbraw/zinc/93/90/70/870939070.db2.gz QQFKNUVCXZLEBC-AEFFLSMTSA-N 1 3 385.474 3.580 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000463140774 870963999 /nfs/dbraw/zinc/96/39/99/870963999.db2.gz IENFTDYGDJDIDB-UHFFFAOYSA-N 1 3 392.591 3.583 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC001193248539 870973289 /nfs/dbraw/zinc/97/32/89/870973289.db2.gz FFRXDZLSECXCBB-YDZRNGNQSA-N 1 3 379.589 3.732 20 0 GHADHO c1ccc(N2CCN(CCCN3CCC[C@@H](C[NH+]4CCCCCC4)C3)CC2)cc1 ZINC000509643502 871060265 /nfs/dbraw/zinc/06/02/65/871060265.db2.gz NWZWORRXXXCBFD-DEOSSOPVSA-N 1 3 398.639 3.787 20 0 GHADHO COc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)c(OC)c1OC ZINC000162995399 871082360 /nfs/dbraw/zinc/08/23/60/871082360.db2.gz ZDXAFRFADWKSKY-UHFFFAOYSA-N 1 3 376.541 3.642 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000539071128 871259161 /nfs/dbraw/zinc/25/91/61/871259161.db2.gz UTBOTGWORRFNNS-JYJNAYRXSA-N 1 3 399.373 3.998 20 0 GHADHO CC(C)[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000091375062 871278175 /nfs/dbraw/zinc/27/81/75/871278175.db2.gz QMUWZASYAKUNJG-QHCPKHFHSA-N 1 3 379.548 3.999 20 0 GHADHO CN1CC[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000533946728 871761872 /nfs/dbraw/zinc/76/18/72/871761872.db2.gz LXYFQSFNHBUURZ-PKTZIBPZSA-N 1 3 398.595 3.729 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000525991155 871880369 /nfs/dbraw/zinc/88/03/69/871880369.db2.gz YEHHEYRTWDRXJK-UHFFFAOYSA-N 1 3 387.474 3.740 20 0 GHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071475 871979227 /nfs/dbraw/zinc/97/92/27/871979227.db2.gz HRQOHFWHRTXUMO-ZFWWWQNUSA-N 1 3 383.330 3.525 20 0 GHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071475 871979234 /nfs/dbraw/zinc/97/92/34/871979234.db2.gz HRQOHFWHRTXUMO-ZFWWWQNUSA-N 1 3 383.330 3.525 20 0 GHADHO O=S1(=O)CC[C@@H](NCCCCCCC[NH+]2CCCC2)c2cc(F)ccc21 ZINC000775627449 872101635 /nfs/dbraw/zinc/10/16/35/872101635.db2.gz MKOJDFUHQVFGCB-LJQANCHMSA-N 1 3 382.545 3.680 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477920526 872148873 /nfs/dbraw/zinc/14/88/73/872148873.db2.gz FDRPUJMVTSJYLO-HNNXBMFYSA-N 1 3 396.373 3.878 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477920526 872148879 /nfs/dbraw/zinc/14/88/79/872148879.db2.gz FDRPUJMVTSJYLO-HNNXBMFYSA-N 1 3 396.373 3.878 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000763529853 872424860 /nfs/dbraw/zinc/42/48/60/872424860.db2.gz JDEMDFGXMPXPFX-NTKDMRAZSA-N 1 3 399.554 3.960 20 0 GHADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)CCCO2 ZINC000768092701 873060351 /nfs/dbraw/zinc/06/03/51/873060351.db2.gz FVSSUYXLONKQBO-XMMPIXPASA-N 1 3 393.575 4.000 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCc2ccccc2NC1=O ZINC000192143460 882799885 /nfs/dbraw/zinc/79/98/85/882799885.db2.gz AWXYLDQICIYSNO-QFIPXVFZSA-N 1 3 378.520 3.573 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000449333597 874717446 /nfs/dbraw/zinc/71/74/46/874717446.db2.gz HFWDVZGNVSIMBX-YNJKOYDBSA-N 1 3 378.560 3.838 20 0 GHADHO COc1cccc(C[C@@H]2CCCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000528748355 874980248 /nfs/dbraw/zinc/98/02/48/874980248.db2.gz JJNFRSAPGRTYMI-QHCPKHFHSA-N 1 3 387.612 3.898 20 0 GHADHO COc1cccc(C[C@@H]2CCCCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000528748355 874980260 /nfs/dbraw/zinc/98/02/60/874980260.db2.gz JJNFRSAPGRTYMI-QHCPKHFHSA-N 1 3 387.612 3.898 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H](C)c1ccccc1 ZINC000542136235 875007662 /nfs/dbraw/zinc/00/76/62/875007662.db2.gz ZXXJTHPFAWHEKS-VQTJNVASSA-N 1 3 379.548 3.794 20 0 GHADHO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000449597750 875101428 /nfs/dbraw/zinc/10/14/28/875101428.db2.gz ZTFDOJTZDQIYBM-PHQLXWQESA-N 1 3 394.563 3.531 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc2ccc(Cl)cc2c1C ZINC000303184789 875203705 /nfs/dbraw/zinc/20/37/05/875203705.db2.gz ZBCWISWOVMTEMU-QGZVFWFLSA-N 1 3 391.943 3.883 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccc(OC)cc2OC)CC1 ZINC001199866596 875220854 /nfs/dbraw/zinc/22/08/54/875220854.db2.gz ZTAWQIBAVRIPNL-UHFFFAOYSA-N 1 3 397.563 3.568 20 0 GHADHO C[C@H](CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451328 875596514 /nfs/dbraw/zinc/59/65/14/875596514.db2.gz SVPIVDUSGHZLTO-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO Cn1c2ccccc2cc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1=O ZINC001202219076 876063462 /nfs/dbraw/zinc/06/34/62/876063462.db2.gz CTZPYGZDRJCLAU-DEOSSOPVSA-N 1 3 375.516 3.540 20 0 GHADHO C[C@H](c1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450642304 876698779 /nfs/dbraw/zinc/69/87/79/876698779.db2.gz IMSACKVMKQXRSF-HLIPFELVSA-N 1 3 383.502 3.810 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433839 876917578 /nfs/dbraw/zinc/91/75/78/876917578.db2.gz RQGCQBUYRCSAMF-QFBILLFUSA-N 1 3 397.485 3.732 20 0 GHADHO C[NH+]1CCC(CNC(=O)Nc2ccccc2C(F)(F)F)(N2CCCCC2)CC1 ZINC000174236166 876917762 /nfs/dbraw/zinc/91/77/62/876917762.db2.gz FXNIGZQEQTVOGF-UHFFFAOYSA-N 1 3 398.473 3.777 20 0 GHADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786783395 876934801 /nfs/dbraw/zinc/93/48/01/876934801.db2.gz SSYCPVQRMCJNND-SFHVURJKSA-N 1 3 378.520 3.663 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)ccc1OC ZINC000850501946 876976069 /nfs/dbraw/zinc/97/60/69/876976069.db2.gz RGURCKAAFLRCBQ-AVYVQZTGSA-N 1 3 380.598 3.877 20 0 GHADHO C[C@H](CC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)N1CCCCC1 ZINC000542464038 877556573 /nfs/dbraw/zinc/55/65/73/877556573.db2.gz WLOZASPVYSXJSE-AABGKKOBSA-N 1 3 397.563 3.838 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000177059802 878543509 /nfs/dbraw/zinc/54/35/09/878543509.db2.gz NLQVBAKXYMIGKV-HBAHCVPVSA-N 1 3 396.575 3.876 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000177059802 878543525 /nfs/dbraw/zinc/54/35/25/878543525.db2.gz NLQVBAKXYMIGKV-HBAHCVPVSA-N 1 3 396.575 3.876 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000537962004 878597625 /nfs/dbraw/zinc/59/76/25/878597625.db2.gz HASLCMAODIVSDX-RJGXRXQPSA-N 1 3 384.564 3.747 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000530901468 878713301 /nfs/dbraw/zinc/71/33/01/878713301.db2.gz BZFVDFIBQRZXLG-RHSMWYFYSA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000530901468 878713317 /nfs/dbraw/zinc/71/33/17/878713317.db2.gz BZFVDFIBQRZXLG-RHSMWYFYSA-N 1 3 382.346 3.582 20 0 GHADHO CC[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N(CC)CC ZINC000531295379 879532011 /nfs/dbraw/zinc/53/20/11/879532011.db2.gz ZBJJJPZAIGDGGR-FQEVSTJZSA-N 1 3 388.556 3.560 20 0 GHADHO CC[NH+](CC)CCOc1ccc(-c2noc(C[C@@H]3NCc4ccccc43)n2)cc1 ZINC000854144556 879578813 /nfs/dbraw/zinc/57/88/13/879578813.db2.gz ANGGCJLSFRDZTO-NRFANRHFSA-N 1 3 392.503 3.844 20 0 GHADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)ccc1SC ZINC000246522277 879650625 /nfs/dbraw/zinc/65/06/25/879650625.db2.gz USDPIIVTGVKICV-ZYSHUDEJSA-N 1 3 378.582 3.836 20 0 GHADHO COCCC[NH+]1CCC(N[C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493824654 879657884 /nfs/dbraw/zinc/65/78/84/879657884.db2.gz TWWBMHRRQOGHGL-GOSISDBHSA-N 1 3 381.358 3.835 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000246950989 879858639 /nfs/dbraw/zinc/85/86/39/879858639.db2.gz ICEKFEZEVSSJMS-RBUKOAKNSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000246950989 879858644 /nfs/dbraw/zinc/85/86/44/879858644.db2.gz ICEKFEZEVSSJMS-RBUKOAKNSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000246975642 879869527 /nfs/dbraw/zinc/86/95/27/879869527.db2.gz JTEJAHZDGVCMAU-IKGGRYGDSA-N 1 3 381.948 3.536 20 0 GHADHO CCOC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000790749339 879979801 /nfs/dbraw/zinc/97/98/01/879979801.db2.gz ZAHFLPLFLXPKCM-FQUXPLTJSA-N 1 3 399.579 3.934 20 0 GHADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ncc(-c2ccccc2)n1C ZINC000453101097 880466052 /nfs/dbraw/zinc/46/60/52/880466052.db2.gz MZGOBGCFHVVOSL-LJQANCHMSA-N 1 3 392.547 3.921 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000132417943 881136993 /nfs/dbraw/zinc/13/69/93/881136993.db2.gz UAGJBJROUCOIAF-NRFANRHFSA-N 1 3 391.987 3.887 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120025403 881288571 /nfs/dbraw/zinc/28/85/71/881288571.db2.gz LWDFODVFMQQMJT-ZDUSSCGKSA-N 1 3 381.948 3.965 20 0 GHADHO CN(C)C(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000499150326 881305243 /nfs/dbraw/zinc/30/52/43/881305243.db2.gz WGHXJNFFBKRAIR-UEQSERJNSA-N 1 3 391.559 3.991 20 0 GHADHO CN(CCCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccco1 ZINC000476965218 883486294 /nfs/dbraw/zinc/48/62/94/883486294.db2.gz UXUFDMVINCEQBC-UHFFFAOYSA-N 1 3 398.551 3.539 20 0 GHADHO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(CN(C)C)c4c3OC(F)(F)O4)C2)n1 ZINC001183671358 912718301 /nfs/dbraw/zinc/71/83/01/912718301.db2.gz HFMWFBMHGIYFTP-HNNXBMFYSA-N 1 3 395.475 3.824 20 0 GHADHO Cc1csc([C@H]2CC[N@H+](Cc3ccc(CN(C)C)c4c3OC(F)(F)O4)C2)n1 ZINC001183671358 912718317 /nfs/dbraw/zinc/71/83/17/912718317.db2.gz HFMWFBMHGIYFTP-HNNXBMFYSA-N 1 3 395.475 3.824 20 0 GHADHO CC[C@H]1CC(N2CCC([NH3+])(CCOC)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170477400 883691520 /nfs/dbraw/zinc/69/15/20/883691520.db2.gz JSPBFGJQAATVAT-ROUUACIJSA-N 1 3 397.604 3.773 20 0 GHADHO CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCN(C2CC2)C1 ZINC000476193022 884257403 /nfs/dbraw/zinc/25/74/03/884257403.db2.gz CYBPDEDWLHXDQR-QHCPKHFHSA-N 1 3 398.595 3.829 20 0 GHADHO CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCN(C2CC2)C1 ZINC000476193022 884257420 /nfs/dbraw/zinc/25/74/20/884257420.db2.gz CYBPDEDWLHXDQR-QHCPKHFHSA-N 1 3 398.595 3.829 20 0 GHADHO CC(C)N1CCN(CCC[N@H+](C)CCCc2cc(-c3ccccc3)no2)CC1 ZINC000192729740 884291345 /nfs/dbraw/zinc/29/13/45/884291345.db2.gz ULJXZVNHUTUVAN-UHFFFAOYSA-N 1 3 384.568 3.622 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+](C)CCCc2cc(-c3ccccc3)no2)CC1 ZINC000192729740 884291355 /nfs/dbraw/zinc/29/13/55/884291355.db2.gz ULJXZVNHUTUVAN-UHFFFAOYSA-N 1 3 384.568 3.622 20 0 GHADHO CC(C)(C)[NH+]1CCC(NCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)CC1 ZINC000898162272 884622412 /nfs/dbraw/zinc/62/24/12/884622412.db2.gz UIZKIUCIKCNDMU-UHFFFAOYSA-N 1 3 384.486 3.864 20 0 GHADHO CC(C)(C)N1CCC([NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)CC1 ZINC000898162272 884622422 /nfs/dbraw/zinc/62/24/22/884622422.db2.gz UIZKIUCIKCNDMU-UHFFFAOYSA-N 1 3 384.486 3.864 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000763433421 885103325 /nfs/dbraw/zinc/10/33/25/885103325.db2.gz RHSIVWINFWDUSS-PGRDOPGGSA-N 1 3 390.568 3.714 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000763433421 885103331 /nfs/dbraw/zinc/10/33/31/885103331.db2.gz RHSIVWINFWDUSS-PGRDOPGGSA-N 1 3 390.568 3.714 20 0 GHADHO C[C@@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000807398680 885424851 /nfs/dbraw/zinc/42/48/51/885424851.db2.gz AKMZKKKJWSQVLL-GCJKJVERSA-N 1 3 382.552 3.581 20 0 GHADHO CCc1ncc(Cl)nc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170524180 885439685 /nfs/dbraw/zinc/43/96/85/885439685.db2.gz HGXDCTBAFMHJFB-UHFFFAOYSA-N 1 3 383.927 3.602 20 0 GHADHO C=CC(=O)Oc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1 ZINC001170531324 885700971 /nfs/dbraw/zinc/70/09/71/885700971.db2.gz NERDYLSFDPXRFM-UHFFFAOYSA-N 1 3 389.499 3.688 20 0 GHADHO CCOC(=O)N1CCC([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000249776584 913038504 /nfs/dbraw/zinc/03/85/04/913038504.db2.gz CFUBUQSGDZJIGF-LQWHRVPQSA-N 1 3 379.589 3.876 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2COc3ccccc3[C@@H]2O)ccc1OC ZINC000808729751 886745944 /nfs/dbraw/zinc/74/59/44/886745944.db2.gz OTJMALWAKOBYTQ-GRWTVWFQSA-N 1 3 384.520 3.682 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666665091 887040235 /nfs/dbraw/zinc/04/02/35/887040235.db2.gz UFOJZMZRPVLWOV-NRFANRHFSA-N 1 3 398.595 3.699 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666665091 887040246 /nfs/dbraw/zinc/04/02/46/887040246.db2.gz UFOJZMZRPVLWOV-NRFANRHFSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758818 887780726 /nfs/dbraw/zinc/78/07/26/887780726.db2.gz AIZJWBHEBXDGBF-QGZVFWFLSA-N 1 3 398.551 3.694 20 0 GHADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758662 887781419 /nfs/dbraw/zinc/78/14/19/887781419.db2.gz MCCDRTRWPNJBIJ-MRXNPFEDSA-N 1 3 392.975 3.601 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810279481 888377495 /nfs/dbraw/zinc/37/74/95/888377495.db2.gz XZKDEAPSAIWBDL-NRFANRHFSA-N 1 3 393.572 3.695 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810279481 888377510 /nfs/dbraw/zinc/37/75/10/888377510.db2.gz XZKDEAPSAIWBDL-NRFANRHFSA-N 1 3 393.572 3.695 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810328855 888399221 /nfs/dbraw/zinc/39/92/21/888399221.db2.gz GEQONPHOGBGETP-QHCPKHFHSA-N 1 3 389.559 3.570 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810328855 888399227 /nfs/dbraw/zinc/39/92/27/888399227.db2.gz GEQONPHOGBGETP-QHCPKHFHSA-N 1 3 389.559 3.570 20 0 GHADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137855 888650315 /nfs/dbraw/zinc/65/03/15/888650315.db2.gz SNWYGKLZWSVWCC-UYAOXDASSA-N 1 3 379.504 3.816 20 0 GHADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137855 888650326 /nfs/dbraw/zinc/65/03/26/888650326.db2.gz SNWYGKLZWSVWCC-UYAOXDASSA-N 1 3 379.504 3.816 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000465535446 889309842 /nfs/dbraw/zinc/30/98/42/889309842.db2.gz YCNVTQREOQFYAI-RTBURBONSA-N 1 3 380.602 3.647 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000465535446 889309856 /nfs/dbraw/zinc/30/98/56/889309856.db2.gz YCNVTQREOQFYAI-RTBURBONSA-N 1 3 380.602 3.647 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)N2CCCC2)cc1 ZINC000125275571 889934880 /nfs/dbraw/zinc/93/48/80/889934880.db2.gz UUTYWRAGHUJUFL-VTLFHKLASA-N 1 3 386.584 3.552 20 0 GHADHO C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000812841544 891028469 /nfs/dbraw/zinc/02/84/69/891028469.db2.gz ALAXXYHRBQWLEX-VQTJNVASSA-N 1 3 384.612 3.964 20 0 GHADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871890168 891077505 /nfs/dbraw/zinc/07/75/05/891077505.db2.gz USRKAWHIRLCZBY-JOCHJYFZSA-N 1 3 380.536 3.609 20 0 GHADHO CC(C)n1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC2)cn1 ZINC001137076329 891959874 /nfs/dbraw/zinc/95/98/74/891959874.db2.gz AYYXWNPCOWTNMP-LJQANCHMSA-N 1 3 388.581 3.781 20 0 GHADHO CC(C)n1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)cn1 ZINC001137076329 891959884 /nfs/dbraw/zinc/95/98/84/891959884.db2.gz AYYXWNPCOWTNMP-LJQANCHMSA-N 1 3 388.581 3.781 20 0 GHADHO O=C(NC[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261794677 892119684 /nfs/dbraw/zinc/11/96/84/892119684.db2.gz IMTIIVKJPXZFIW-REWPJTCUSA-N 1 3 393.531 3.559 20 0 GHADHO CC1CCN([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c2cccs2)CC1 ZINC000263108258 892436657 /nfs/dbraw/zinc/43/66/57/892436657.db2.gz DEIGPEYOSMIRSE-SSZRJXQFSA-N 1 3 389.609 3.791 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547052 892494020 /nfs/dbraw/zinc/49/40/20/892494020.db2.gz SXPPYUPAFQAQLV-WOJBJXKFSA-N 1 3 392.613 3.695 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547052 892494031 /nfs/dbraw/zinc/49/40/31/892494031.db2.gz SXPPYUPAFQAQLV-WOJBJXKFSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000162546029 892673490 /nfs/dbraw/zinc/67/34/90/892673490.db2.gz LUXMSWDAUHQVMD-MRXNPFEDSA-N 1 3 381.520 3.708 20 0 GHADHO C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508721212 892970237 /nfs/dbraw/zinc/97/02/37/892970237.db2.gz ULXSDISZBYXZNN-QPPBQGQZSA-N 1 3 388.559 3.974 20 0 GHADHO O=C(CC[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)Nc1cccnc1 ZINC000563000714 893260949 /nfs/dbraw/zinc/26/09/49/893260949.db2.gz WQVFPAPCIDNEQR-UHFFFAOYSA-N 1 3 386.927 3.565 20 0 GHADHO C[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000536650504 893453948 /nfs/dbraw/zinc/45/39/48/893453948.db2.gz VOZOBNGVBYLPHR-HXUWFJFHSA-N 1 3 381.564 3.600 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc(Cl)n1 ZINC000877450386 893614559 /nfs/dbraw/zinc/61/45/59/893614559.db2.gz GKNZUJCTQGLZQC-AYOQOUSVSA-N 1 3 392.975 3.580 20 0 GHADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524975 893726693 /nfs/dbraw/zinc/72/66/93/893726693.db2.gz XGTIEUGCKXDSPZ-PZJWPPBQSA-N 1 3 383.580 3.503 20 0 GHADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524975 893726699 /nfs/dbraw/zinc/72/66/99/893726699.db2.gz XGTIEUGCKXDSPZ-PZJWPPBQSA-N 1 3 383.580 3.503 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)cc1 ZINC000826010945 893990185 /nfs/dbraw/zinc/99/01/85/893990185.db2.gz ZSFCZAKBOVGXRQ-LJQANCHMSA-N 1 3 388.943 3.592 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573562 894397301 /nfs/dbraw/zinc/39/73/01/894397301.db2.gz LIZBFRYGWGBUDR-OALUTQOASA-N 1 3 378.582 3.538 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573562 894397320 /nfs/dbraw/zinc/39/73/20/894397320.db2.gz LIZBFRYGWGBUDR-OALUTQOASA-N 1 3 378.582 3.538 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574980 894399594 /nfs/dbraw/zinc/39/95/94/894399594.db2.gz YQPLPSZAEJTZMG-UXHICEINSA-N 1 3 392.609 3.786 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574980 894399609 /nfs/dbraw/zinc/39/96/09/894399609.db2.gz YQPLPSZAEJTZMG-UXHICEINSA-N 1 3 392.609 3.786 20 0 GHADHO CN(C)[C@@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccsc1 ZINC000537166592 894476665 /nfs/dbraw/zinc/47/66/65/894476665.db2.gz RFCAEZYERMVTLA-UXHICEINSA-N 1 3 385.577 3.929 20 0 GHADHO CN(C)[C@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1cccs1 ZINC000537167124 894476982 /nfs/dbraw/zinc/47/69/82/894476982.db2.gz RZWDHSLDBSIXOC-RBUKOAKNSA-N 1 3 385.577 3.929 20 0 GHADHO C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(N2CCOCC2)c1 ZINC000423480339 894520932 /nfs/dbraw/zinc/52/09/32/894520932.db2.gz VRRVFJAJOCJGIN-NSXLHWASSA-N 1 3 397.538 3.706 20 0 GHADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000455847668 894593351 /nfs/dbraw/zinc/59/33/51/894593351.db2.gz JAFOEMPZZOHVOC-VXKWHMMOSA-N 1 3 396.535 3.669 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293176 894716847 /nfs/dbraw/zinc/71/68/47/894716847.db2.gz XPRMVPSKVKLOPI-SJLPKXTDSA-N 1 3 379.504 3.824 20 0 GHADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816544672 894915003 /nfs/dbraw/zinc/91/50/03/894915003.db2.gz PAEDSFDCJMKALR-KRWDZBQOSA-N 1 3 379.589 3.876 20 0 GHADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000818942823 896284452 /nfs/dbraw/zinc/28/44/52/896284452.db2.gz KTUQPRPYVWGSDZ-HXUWFJFHSA-N 1 3 389.337 3.868 20 0 GHADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000819282966 896525488 /nfs/dbraw/zinc/52/54/88/896525488.db2.gz DWHDGZPVYVAZBX-LADGPHEKSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819282966 896525502 /nfs/dbraw/zinc/52/55/02/896525502.db2.gz DWHDGZPVYVAZBX-LADGPHEKSA-N 1 3 382.548 3.545 20 0 GHADHO Clc1cccc2c1C[C@H]([N@H+]1CCc3ncc(CN4CCCC4)n3CC1)CC2 ZINC001170927338 896721787 /nfs/dbraw/zinc/72/17/87/896721787.db2.gz CVLIXAZRSWAFMR-GOSISDBHSA-N 1 3 384.955 3.548 20 0 GHADHO Clc1cccc2c1C[C@H]([N@@H+]1CCc3ncc(CN4CCCC4)n3CC1)CC2 ZINC001170927338 896721793 /nfs/dbraw/zinc/72/17/93/896721793.db2.gz CVLIXAZRSWAFMR-GOSISDBHSA-N 1 3 384.955 3.548 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C[C@@H](C)O1 ZINC000796278514 914096866 /nfs/dbraw/zinc/09/68/66/914096866.db2.gz BFYCOWNFZATXNT-ZIAGYGMSSA-N 1 3 385.339 3.620 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccc(C)cn3)C2)s1 ZINC000567239669 896997089 /nfs/dbraw/zinc/99/70/89/896997089.db2.gz XUUYVOHZVKCJID-SFHVURJKSA-N 1 3 386.565 3.542 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccc(C)cn3)C2)s1 ZINC000567239669 896997101 /nfs/dbraw/zinc/99/71/01/896997101.db2.gz XUUYVOHZVKCJID-SFHVURJKSA-N 1 3 386.565 3.542 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3oc4ccccc4c3C)CC2)CC1 ZINC000568199942 897669010 /nfs/dbraw/zinc/66/90/10/897669010.db2.gz MBUFLPGMFBRZMK-UHFFFAOYSA-N 1 3 383.536 3.554 20 0 GHADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c2ccccc21 ZINC000569349564 898566952 /nfs/dbraw/zinc/56/69/52/898566952.db2.gz OCSGBKGMGRBYJE-JSNMRZPZSA-N 1 3 380.442 3.878 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000155725377 899031614 /nfs/dbraw/zinc/03/16/14/899031614.db2.gz LQQMTEJFZNOZON-LSDHHAIUSA-N 1 3 387.540 3.687 20 0 GHADHO C[C@H](CNC1CC[NH+](CC2CCCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000823748170 899230463 /nfs/dbraw/zinc/23/04/63/899230463.db2.gz SQQVHBPSZWSZEJ-GOSISDBHSA-N 1 3 392.609 3.828 20 0 GHADHO C[C@H](C[NH2+]C1CCN(CC2CCCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000823748170 899230485 /nfs/dbraw/zinc/23/04/85/899230485.db2.gz SQQVHBPSZWSZEJ-GOSISDBHSA-N 1 3 392.609 3.828 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000823795686 899265160 /nfs/dbraw/zinc/26/51/60/899265160.db2.gz SWFPVWMZYFHTLO-NQIIRXRSSA-N 1 3 387.568 3.681 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000823795688 899265477 /nfs/dbraw/zinc/26/54/77/899265477.db2.gz SWFPVWMZYFHTLO-WIYYLYMNSA-N 1 3 387.568 3.681 20 0 GHADHO CN1CC[NH+](CC2CCN(Cc3ccc(-c4ccccc4)cc3F)CC2)CC1 ZINC000571006837 899712892 /nfs/dbraw/zinc/71/28/92/899712892.db2.gz MQGUUVXKFNYMHF-UHFFFAOYSA-N 1 3 381.539 3.952 20 0 GHADHO CN1Cc2c(NC(=O)CC3CC[NH+](C)CC3)cccc2[C@H](c2ccccc2)C1 ZINC001143359432 900221453 /nfs/dbraw/zinc/22/14/53/900221453.db2.gz JUAVNAZOEIJFIU-NRFANRHFSA-N 1 3 377.532 3.934 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC[C@@H](O)COCc2cccs2)C1 ZINC000573236984 900429528 /nfs/dbraw/zinc/42/95/28/900429528.db2.gz STERRIOJPFABIX-WIYYLYMNSA-N 1 3 388.577 3.647 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC[C@@H](O)COCc2cccs2)C1 ZINC000573236984 900429540 /nfs/dbraw/zinc/42/95/40/900429540.db2.gz STERRIOJPFABIX-WIYYLYMNSA-N 1 3 388.577 3.647 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000574097702 900770677 /nfs/dbraw/zinc/77/06/77/900770677.db2.gz DPTYSHKOHUVGAT-QFIPXVFZSA-N 1 3 383.580 3.722 20 0 GHADHO Cc1c(O)cccc1C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001144112694 901077115 /nfs/dbraw/zinc/07/71/15/901077115.db2.gz LKAARSCMGHADSE-QFIPXVFZSA-N 1 3 380.532 3.956 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1ncn3ccccc13)CC2 ZINC001144618102 902510432 /nfs/dbraw/zinc/51/04/32/902510432.db2.gz GDFYEEJOLSRCEK-UHFFFAOYSA-N 1 3 375.520 3.606 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1ncn3ccccc13)CC2 ZINC001144618102 902510445 /nfs/dbraw/zinc/51/04/45/902510445.db2.gz GDFYEEJOLSRCEK-UHFFFAOYSA-N 1 3 375.520 3.606 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc3c[nH]nc3c2)cc1OC ZINC000263859741 902616477 /nfs/dbraw/zinc/61/64/77/902616477.db2.gz UTJANMIMHFENDA-UHFFFAOYSA-N 1 3 382.508 3.582 20 0 GHADHO C[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000600854634 903008485 /nfs/dbraw/zinc/00/84/85/903008485.db2.gz OPZYTMKJPKZRLO-QHAWAJNXSA-N 1 3 388.600 3.564 20 0 GHADHO C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000600854634 903008492 /nfs/dbraw/zinc/00/84/92/903008492.db2.gz OPZYTMKJPKZRLO-QHAWAJNXSA-N 1 3 388.600 3.564 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCCC[C@H]3c3ccncc3)CC2)CC1 ZINC000577767288 903165819 /nfs/dbraw/zinc/16/58/19/903165819.db2.gz XRNQJNOXTVSVPK-QHCPKHFHSA-N 1 3 398.595 3.722 20 0 GHADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C3(C2)CCOCC3)cc1 ZINC000578148469 903560632 /nfs/dbraw/zinc/56/06/32/903560632.db2.gz LIQVISAGMFHRHZ-GOTSBHOMSA-N 1 3 398.591 3.854 20 0 GHADHO COc1cccc([C@@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000265266143 903764409 /nfs/dbraw/zinc/76/44/09/903764409.db2.gz ZYZRAUFRHUIMKL-RTBURBONSA-N 1 3 395.547 3.515 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2OCc2ccncc2)C[C@@H](C)O1 ZINC000578457470 903860702 /nfs/dbraw/zinc/86/07/02/903860702.db2.gz VMHVWWNWTSEQBC-WOJBJXKFSA-N 1 3 383.536 3.640 20 0 GHADHO C[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561880 903963144 /nfs/dbraw/zinc/96/31/44/903963144.db2.gz VXBIGUOARINALC-FPOVZHCZSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561880 903963161 /nfs/dbraw/zinc/96/31/61/903963161.db2.gz VXBIGUOARINALC-FPOVZHCZSA-N 1 3 390.535 3.615 20 0 GHADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000773001835 904355025 /nfs/dbraw/zinc/35/50/25/904355025.db2.gz SPIYJHYXMRDSFK-HSZRJFAPSA-N 1 3 377.532 3.598 20 0 GHADHO CN1C(C)(C)CC([NH2+]C2CCN(c3cnc4ccccc4n3)CC2)CC1(C)C ZINC001171624314 904888220 /nfs/dbraw/zinc/88/82/20/904888220.db2.gz PAJODVJCUHQNAM-UHFFFAOYSA-N 1 3 381.568 3.840 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000075800679 904993952 /nfs/dbraw/zinc/99/39/52/904993952.db2.gz DSSCNAPRBGHTKV-UHFFFAOYSA-N 1 3 381.564 3.691 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N2CCC([NH3+])(CC3CC3)CC2)CC12CCC2 ZINC001171839293 905090373 /nfs/dbraw/zinc/09/03/73/905090373.db2.gz AQBPMIJFAWDTRI-GOSISDBHSA-N 1 3 377.573 3.902 20 0 GHADHO CC1(C)C[C@@H](NC[C@]2(O)CCOc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171981982 905236106 /nfs/dbraw/zinc/23/61/06/905236106.db2.gz FOHNYBMYDHSGOG-GBXCKJPGSA-N 1 3 380.532 3.690 20 0 GHADHO CC1(C)C[C@@H](NC[C@]2(O)CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171981982 905236121 /nfs/dbraw/zinc/23/61/21/905236121.db2.gz FOHNYBMYDHSGOG-GBXCKJPGSA-N 1 3 380.532 3.690 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC001172071842 905274923 /nfs/dbraw/zinc/27/49/23/905274923.db2.gz ZPLUWARSCGQJJU-OWZKRDHZSA-N 1 3 383.561 3.653 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC001172071842 905274940 /nfs/dbraw/zinc/27/49/40/905274940.db2.gz ZPLUWARSCGQJJU-OWZKRDHZSA-N 1 3 383.561 3.653 20 0 GHADHO COc1cccc(C[C@@H](CO)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172072824 905278286 /nfs/dbraw/zinc/27/82/86/905278286.db2.gz NGTZKQXHFZISEY-XQUALCHDSA-N 1 3 394.559 3.774 20 0 GHADHO COc1cccc(C[C@@H](CO)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172072824 905278303 /nfs/dbraw/zinc/27/83/03/905278303.db2.gz NGTZKQXHFZISEY-XQUALCHDSA-N 1 3 394.559 3.774 20 0 GHADHO c1cnn(-c2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cn2)c1 ZINC001172076595 905288637 /nfs/dbraw/zinc/28/86/37/905288637.db2.gz JMLWSNFZMFONFT-NUNAXRQHSA-N 1 3 387.531 3.943 20 0 GHADHO O[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063351 905329349 /nfs/dbraw/zinc/32/93/49/905329349.db2.gz YONCUKOSRCWGBO-ZFFYZDHPSA-N 1 3 394.559 3.739 20 0 GHADHO O[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063351 905329368 /nfs/dbraw/zinc/32/93/68/905329368.db2.gz YONCUKOSRCWGBO-ZFFYZDHPSA-N 1 3 394.559 3.739 20 0 GHADHO O=C(C1CCCC1)N1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172066841 905330357 /nfs/dbraw/zinc/33/03/57/905330357.db2.gz NFCFSCQVYBOBNV-JLLPCOHGSA-N 1 3 395.591 3.953 20 0 GHADHO O=C(C1CCCC1)N1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066841 905330367 /nfs/dbraw/zinc/33/03/67/905330367.db2.gz NFCFSCQVYBOBNV-JLLPCOHGSA-N 1 3 395.591 3.953 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@@H]2CCN(Cc4ccccn4)C2)C3)cc1 ZINC001172068747 905338216 /nfs/dbraw/zinc/33/82/16/905338216.db2.gz XFWRQKFSXDUFPU-VPBXCIAMSA-N 1 3 390.575 3.831 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@@H]2CCN(Cc4ccccn4)C2)C3)cc1 ZINC001172068747 905338222 /nfs/dbraw/zinc/33/82/22/905338222.db2.gz XFWRQKFSXDUFPU-VPBXCIAMSA-N 1 3 390.575 3.831 20 0 GHADHO Cc1nc(CN2CCCC23CCN([C@@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CC3)cs1 ZINC001172119491 905376346 /nfs/dbraw/zinc/37/63/46/905376346.db2.gz VSNTWXLYTDJNOS-WKCHPHFGSA-N 1 3 388.625 3.897 20 0 GHADHO Cc1nc(CN2CCCC23CCN([C@@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)cs1 ZINC001172119491 905376364 /nfs/dbraw/zinc/37/63/64/905376364.db2.gz VSNTWXLYTDJNOS-WKCHPHFGSA-N 1 3 388.625 3.897 20 0 GHADHO COc1cccc2c1C[C@@H]([NH+]1CCC3(CN(Cc4ccccc4)C3)CC1)CO2 ZINC001173165915 906224265 /nfs/dbraw/zinc/22/42/65/906224265.db2.gz PRDBHYLYUZFOTJ-HXUWFJFHSA-N 1 3 378.516 3.597 20 0 GHADHO COc1cccc2c1C[C@@H](N1CCC3(C[NH+](Cc4ccccc4)C3)CC1)CO2 ZINC001173165915 906224283 /nfs/dbraw/zinc/22/42/83/906224283.db2.gz PRDBHYLYUZFOTJ-HXUWFJFHSA-N 1 3 378.516 3.597 20 0 GHADHO COc1ccc(C(=O)N2CCC(N[C@@H](CC[NH+](C)C)c3ccccc3)CC2)cc1 ZINC001173398141 906424770 /nfs/dbraw/zinc/42/47/70/906424770.db2.gz FWJHUAFDSJYBBK-QHCPKHFHSA-N 1 3 395.547 3.582 20 0 GHADHO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001176366151 908080607 /nfs/dbraw/zinc/08/06/07/908080607.db2.gz XXMNUYLQMJJWAM-PTUXOGIPSA-N 1 3 379.548 3.674 20 0 GHADHO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001176366151 908080616 /nfs/dbraw/zinc/08/06/16/908080616.db2.gz XXMNUYLQMJJWAM-PTUXOGIPSA-N 1 3 379.548 3.674 20 0 GHADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000632950066 908163591 /nfs/dbraw/zinc/16/35/91/908163591.db2.gz YBJGHIQXJGZNKM-GOSISDBHSA-N 1 3 394.441 3.849 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Br)cs1 ZINC000194169318 908921621 /nfs/dbraw/zinc/92/16/21/908921621.db2.gz HAOLMBULBTVGAE-DYVFJYSZSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Br)cs1 ZINC000194169318 908921632 /nfs/dbraw/zinc/92/16/32/908921632.db2.gz HAOLMBULBTVGAE-DYVFJYSZSA-N 1 3 395.366 3.928 20 0 GHADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178591237 909114438 /nfs/dbraw/zinc/11/44/38/909114438.db2.gz PGHLZBXSQHHRNN-QHCPKHFHSA-N 1 3 391.559 3.649 20 0 GHADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178591237 909114443 /nfs/dbraw/zinc/11/44/43/909114443.db2.gz PGHLZBXSQHHRNN-QHCPKHFHSA-N 1 3 391.559 3.649 20 0 GHADHO C[N@@H+]1CCC[C@H](CCNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178593471 909115688 /nfs/dbraw/zinc/11/56/88/909115688.db2.gz XNQOFGWWZLKRLB-HXUWFJFHSA-N 1 3 391.559 3.556 20 0 GHADHO C[N@H+]1CCC[C@H](CCNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178593471 909115691 /nfs/dbraw/zinc/11/56/91/909115691.db2.gz XNQOFGWWZLKRLB-HXUWFJFHSA-N 1 3 391.559 3.556 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257709 909444058 /nfs/dbraw/zinc/44/40/58/909444058.db2.gz GGCMTLUDCQARTO-JKSUJKDBSA-N 1 3 393.494 3.544 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257709 909444067 /nfs/dbraw/zinc/44/40/67/909444067.db2.gz GGCMTLUDCQARTO-JKSUJKDBSA-N 1 3 393.494 3.544 20 0 GHADHO CC1([NH+]2CCCC2)CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000636474184 909576194 /nfs/dbraw/zinc/57/61/94/909576194.db2.gz PONSOZZUTZVYMH-GOSISDBHSA-N 1 3 390.597 3.545 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000268806981 910025684 /nfs/dbraw/zinc/02/56/84/910025684.db2.gz JPWMGDYXZNYARD-HYBUGGRVSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000268806981 910025698 /nfs/dbraw/zinc/02/56/98/910025698.db2.gz JPWMGDYXZNYARD-HYBUGGRVSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000269035357 910113377 /nfs/dbraw/zinc/11/33/77/910113377.db2.gz TZZCMIYCTKMIKH-HOTGVXAUSA-N 1 3 386.458 3.779 20 0 GHADHO c1ccc([C@H]2C[C@@H]([NH2+]CC3(N4CCCCC4)CCOCC3)CCN2C2CC2)cc1 ZINC000638865259 910258302 /nfs/dbraw/zinc/25/83/02/910258302.db2.gz YQSKGRJUSKMWBK-LADGPHEKSA-N 1 3 397.607 3.979 20 0 GHADHO CCCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CCN(Cc2ccccc2)CC1 ZINC001180680807 910302413 /nfs/dbraw/zinc/30/24/13/910302413.db2.gz BGVGFOPYRQIWHO-GGAORHGYSA-N 1 3 383.580 3.907 20 0 GHADHO CCCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CCN(Cc2ccccc2)CC1 ZINC001180680807 910302431 /nfs/dbraw/zinc/30/24/31/910302431.db2.gz BGVGFOPYRQIWHO-GGAORHGYSA-N 1 3 383.580 3.907 20 0 GHADHO CCCCN(CC)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)c1ccccc1 ZINC001182236583 911298821 /nfs/dbraw/zinc/29/88/21/911298821.db2.gz XWBUTRCYPSNIQE-JOCHJYFZSA-N 1 3 383.580 3.794 20 0 GHADHO CCCCN(CC)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)c1ccccc1 ZINC001182236583 911298830 /nfs/dbraw/zinc/29/88/30/911298830.db2.gz XWBUTRCYPSNIQE-JOCHJYFZSA-N 1 3 383.580 3.794 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000647977209 915460626 /nfs/dbraw/zinc/46/06/26/915460626.db2.gz ZKPULEQIAOVTCP-QGZVKYPTSA-N 1 3 383.536 3.710 20 0 GHADHO CN(Cc1cnc(CCc2ccccc2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585973 915780012 /nfs/dbraw/zinc/78/00/12/915780012.db2.gz FDNUADGTAPUCJX-NRFANRHFSA-N 1 3 398.620 3.529 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H](c5cccnc5)C4)[C@H]3C2)cc1 ZINC000295119541 917151642 /nfs/dbraw/zinc/15/16/42/917151642.db2.gz XDKHGPIWRGVNKO-HTUFRPJOSA-N 1 3 377.532 3.802 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)ccc1OC ZINC000775370812 917211799 /nfs/dbraw/zinc/21/17/99/917211799.db2.gz JABOBGUCEUDAKR-KKSFZXQISA-N 1 3 382.552 3.844 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1CN1CCCCC1 ZINC000775369873 917229126 /nfs/dbraw/zinc/22/91/26/917229126.db2.gz BCDMCEQZLZGPLR-JTSKRJEESA-N 1 3 394.563 3.988 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1OC ZINC000775413171 917565127 /nfs/dbraw/zinc/56/51/27/917565127.db2.gz YDNKUXYHKWTLNK-QFBILLFUSA-N 1 3 375.557 3.587 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000800372661 919996744 /nfs/dbraw/zinc/99/67/44/919996744.db2.gz YBZYJDFAWKNMJL-IBGZPJMESA-N 1 3 383.502 3.911 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000800372661 919996759 /nfs/dbraw/zinc/99/67/59/919996759.db2.gz YBZYJDFAWKNMJL-IBGZPJMESA-N 1 3 383.502 3.911 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000902503263 922243467 /nfs/dbraw/zinc/24/34/67/922243467.db2.gz HWEQGTUEOUZEQA-VNZMSGEBSA-N 1 3 393.531 3.866 20 0 GHADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502387 922243637 /nfs/dbraw/zinc/24/36/37/922243637.db2.gz DZIPXPXIOAVCRU-CODAWKSHSA-N 1 3 393.531 3.812 20 0 GHADHO c1ccc([C@H](CCc2cccnc2)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000902808174 922508794 /nfs/dbraw/zinc/50/87/94/922508794.db2.gz DRXODJRQHSBSJQ-QPPBQGQZSA-N 1 3 379.548 3.846 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903125529 922793299 /nfs/dbraw/zinc/79/32/99/922793299.db2.gz MZYICGVZPCLVFX-ZLNRFVROSA-N 1 3 390.543 3.651 20 0 GHADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000370725624 924276359 /nfs/dbraw/zinc/27/63/59/924276359.db2.gz UNMILUXXIPRLNR-NFBKMPQASA-N 1 3 394.563 3.640 20 0 GHADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000370725624 924276369 /nfs/dbraw/zinc/27/63/69/924276369.db2.gz UNMILUXXIPRLNR-NFBKMPQASA-N 1 3 394.563 3.640 20 0 GHADHO C[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804581 924504606 /nfs/dbraw/zinc/50/46/06/924504606.db2.gz HDLCLMPXMJSFFP-RXVVDRJESA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804581 924504614 /nfs/dbraw/zinc/50/46/14/924504614.db2.gz HDLCLMPXMJSFFP-RXVVDRJESA-N 1 3 375.520 3.971 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927465 924975791 /nfs/dbraw/zinc/97/57/91/924975791.db2.gz JRQFYWSKUVLRBI-NZQKXSOJSA-N 1 3 395.522 3.690 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927465 924975795 /nfs/dbraw/zinc/97/57/95/924975795.db2.gz JRQFYWSKUVLRBI-NZQKXSOJSA-N 1 3 395.522 3.690 20 0 GHADHO Cc1ccc(Br)cc1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000682189334 926039572 /nfs/dbraw/zinc/03/95/72/926039572.db2.gz WUOILDJTVLAUEO-UHFFFAOYSA-N 1 3 377.326 3.988 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)CC1 ZINC000411478499 926444630 /nfs/dbraw/zinc/44/46/30/926444630.db2.gz KNTVEWMHMOMXOT-QFIXIFRTSA-N 1 3 377.960 3.616 20 0 GHADHO COc1ccc(NC(=O)CCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000411512030 926470272 /nfs/dbraw/zinc/47/02/72/926470272.db2.gz ADNJCTSKZLCDPL-HOTGVXAUSA-N 1 3 393.959 3.920 20 0 GHADHO COc1ccc(NC(=O)CCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000411512030 926470276 /nfs/dbraw/zinc/47/02/76/926470276.db2.gz ADNJCTSKZLCDPL-HOTGVXAUSA-N 1 3 393.959 3.920 20 0 GHADHO OC1(CNCc2ccc(CSC(F)F)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000397508433 926483865 /nfs/dbraw/zinc/48/38/65/926483865.db2.gz IQSVQHJMSORKDV-UHFFFAOYSA-N 1 3 396.503 3.852 20 0 GHADHO C[C@@H](NCCC(=O)NCc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519326 926484560 /nfs/dbraw/zinc/48/45/60/926484560.db2.gz RVOZFPGMOHZKTR-AEFFLSMTSA-N 1 3 377.960 3.589 20 0 GHADHO C[C@@H](NCCC(=O)NCc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519326 926484562 /nfs/dbraw/zinc/48/45/62/926484562.db2.gz RVOZFPGMOHZKTR-AEFFLSMTSA-N 1 3 377.960 3.589 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000544624214 929357739 /nfs/dbraw/zinc/35/77/39/929357739.db2.gz NOGIOBWDKHHWEF-VQIMIIECSA-N 1 3 380.602 3.503 20 0 GHADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000469166153 929646522 /nfs/dbraw/zinc/64/65/22/929646522.db2.gz SRJVQAHUHMBXDM-IRXDYDNUSA-N 1 3 377.960 3.541 20 0 GHADHO CC(C)N(C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)C1CCCC1 ZINC000469786784 930161901 /nfs/dbraw/zinc/16/19/01/930161901.db2.gz KXPZEOLSUVTZNI-GZOXUSKESA-N 1 3 385.596 3.912 20 0 GHADHO CN1CC[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000759517893 930391936 /nfs/dbraw/zinc/39/19/36/930391936.db2.gz GIUHOKKLUJUYTQ-YADHBBJMSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780881445 930626209 /nfs/dbraw/zinc/62/62/09/930626209.db2.gz CWBBEAGIXGZCGY-IRLDBZIGSA-N 1 3 378.564 3.761 20 0 GHADHO C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780881445 930626213 /nfs/dbraw/zinc/62/62/13/930626213.db2.gz CWBBEAGIXGZCGY-IRLDBZIGSA-N 1 3 378.564 3.761 20 0 GHADHO CN(C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470896292 931008098 /nfs/dbraw/zinc/00/80/98/931008098.db2.gz FCPNWSDJHRGKBQ-GOTSBHOMSA-N 1 3 398.595 3.557 20 0 GHADHO CN(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470896292 931008107 /nfs/dbraw/zinc/00/81/07/931008107.db2.gz FCPNWSDJHRGKBQ-GOTSBHOMSA-N 1 3 398.595 3.557 20 0 GHADHO CC(C)(C)C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000557483082 931463131 /nfs/dbraw/zinc/46/31/31/931463131.db2.gz ZKNCJPKNPUTPQK-FQEVSTJZSA-N 1 3 375.532 3.636 20 0 GHADHO Cc1ccc(C)c(OC[C@@H](O)CNC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000558731876 932198650 /nfs/dbraw/zinc/19/86/50/932198650.db2.gz JJESJJASDGGVOE-QHCPKHFHSA-N 1 3 382.548 3.606 20 0 GHADHO OC1(CCN[C@@H]2CCc3c2nccc3Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000926854627 932328012 /nfs/dbraw/zinc/32/80/12/932328012.db2.gz DMAMYDQKBDZXGA-HXUWFJFHSA-N 1 3 385.939 3.729 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C[C@@H]1C(F)(F)F ZINC001119953620 934424127 /nfs/dbraw/zinc/42/41/27/934424127.db2.gz ILFDDASEBFXQTB-NXHRZFHOSA-N 1 3 390.490 3.893 20 0 GHADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC001120469501 934467108 /nfs/dbraw/zinc/46/71/08/934467108.db2.gz YZHRUSBRADUHPQ-STZQEDGTSA-N 1 3 380.532 3.729 20 0 GHADHO O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220694978 1032067290 /nfs/dbraw/zinc/06/72/90/1032067290.db2.gz PZBPJPRSIIVODM-ZEQRLZLVSA-N 1 3 399.538 3.920 20 0 GHADHO O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220694978 1032067306 /nfs/dbraw/zinc/06/73/06/1032067306.db2.gz PZBPJPRSIIVODM-ZEQRLZLVSA-N 1 3 399.538 3.920 20 0 GHADHO Cc1c(Cl)cccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910522 1014572274 /nfs/dbraw/zinc/57/22/74/1014572274.db2.gz FOZHCAXPKTYWOK-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1c(Cl)cccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910522 1014572277 /nfs/dbraw/zinc/57/22/77/1014572277.db2.gz FOZHCAXPKTYWOK-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC001626101205 1014885002 /nfs/dbraw/zinc/88/50/02/1014885002.db2.gz FKXJVXYBGCUINY-QHCPKHFHSA-N 1 3 389.559 3.891 20 0 GHADHO CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220768867 1032108998 /nfs/dbraw/zinc/10/89/98/1032108998.db2.gz DAVANLGAPCJUDT-CTNGQTDRSA-N 1 3 386.584 3.881 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001221063325 1032262039 /nfs/dbraw/zinc/26/20/39/1032262039.db2.gz RVJFZDPTXBFMKG-VABKMULXSA-N 1 3 377.532 3.508 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070703 1032265683 /nfs/dbraw/zinc/26/56/83/1032265683.db2.gz ALYYWGYXAPEITG-MSOLQXFVSA-N 1 3 392.613 3.693 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070703 1032265691 /nfs/dbraw/zinc/26/56/91/1032265691.db2.gz ALYYWGYXAPEITG-MSOLQXFVSA-N 1 3 392.613 3.693 20 0 GHADHO CCCCN(CC)[C@H](C(=O)N[C@H](C[NH3+])c1cccc(OC)c1)c1ccccc1 ZINC001221404346 1032400139 /nfs/dbraw/zinc/40/01/39/1032400139.db2.gz HOCIXFSKRCHTFV-YADHBBJMSA-N 1 3 383.536 3.675 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001221581310 1032469333 /nfs/dbraw/zinc/46/93/33/1032469333.db2.gz VNURGPTUSCJKHO-FGZHOGPDSA-N 1 3 386.584 3.696 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001221581310 1032469340 /nfs/dbraw/zinc/46/93/40/1032469340.db2.gz VNURGPTUSCJKHO-FGZHOGPDSA-N 1 3 386.584 3.696 20 0 GHADHO c1cc2n(c1)C[C@@H](CCNc1nc(N3CCCC3)cc3ccccc31)C[NH2+]C2 ZINC001155462842 1032552108 /nfs/dbraw/zinc/55/21/08/1032552108.db2.gz QMNITPBWRBEIGK-SFHVURJKSA-N 1 3 375.520 3.858 20 0 GHADHO CN(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643687 1032618790 /nfs/dbraw/zinc/61/87/90/1032618790.db2.gz SGHOWRUAAYWGHT-IRLDBZIGSA-N 1 3 399.966 3.971 20 0 GHADHO CN(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643687 1032618796 /nfs/dbraw/zinc/61/87/96/1032618796.db2.gz SGHOWRUAAYWGHT-IRLDBZIGSA-N 1 3 399.966 3.971 20 0 GHADHO COc1cc([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)ccc1SC ZINC000925806836 1017151731 /nfs/dbraw/zinc/15/17/31/1017151731.db2.gz BJYSNDDYOJCDQX-KRWDZBQOSA-N 1 3 385.577 3.673 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCC3(Cc4ccccc4O3)CC2)cc1 ZINC001204269600 1032713603 /nfs/dbraw/zinc/71/36/03/1032713603.db2.gz GRXOKYZZBGADCJ-UHFFFAOYSA-N 1 3 380.532 3.987 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCC[C@@H]2CC(=O)OC(C)(C)C)cc1 ZINC001204271619 1032714564 /nfs/dbraw/zinc/71/45/64/1032714564.db2.gz PIRQFUGFHAFGHU-LJQANCHMSA-N 1 3 376.541 3.713 20 0 GHADHO C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC001227962093 1032716481 /nfs/dbraw/zinc/71/64/81/1032716481.db2.gz KZPAEXKVTVPRKT-KNQAVFIVSA-N 1 3 386.584 3.585 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3c(C)oc4ccccc43)CC2)CC1 ZINC000566571016 1019236861 /nfs/dbraw/zinc/23/68/61/1019236861.db2.gz RNWRSKFVKIVSIC-UHFFFAOYSA-N 1 3 383.536 3.554 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000570336953 1019586925 /nfs/dbraw/zinc/58/69/25/1019586925.db2.gz LPTZIVJRMIJMMJ-HXUWFJFHSA-N 1 3 396.579 3.800 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000644574076 1021110578 /nfs/dbraw/zinc/11/05/78/1021110578.db2.gz SBLCJWFAYOPJPY-HYFFOGBASA-N 1 3 399.560 3.642 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000644574076 1021110583 /nfs/dbraw/zinc/11/05/83/1021110583.db2.gz SBLCJWFAYOPJPY-HYFFOGBASA-N 1 3 399.560 3.642 20 0 GHADHO CN1CCN(Cc2cccc(Nc3ccc(C4CC[NH+](C)CC4)cc3)c2)CC1 ZINC001204537073 1032955670 /nfs/dbraw/zinc/95/56/70/1032955670.db2.gz CMMFJPFJFVDDHW-UHFFFAOYSA-N 1 3 378.564 3.987 20 0 GHADHO Nc1ncc(-c2ccccc2C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140326329 1021407137 /nfs/dbraw/zinc/40/71/37/1021407137.db2.gz MMPFRNRAZMROKT-NFBKMPQASA-N 1 3 399.542 3.680 20 0 GHADHO Nc1ncc(-c2ccccc2C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140326329 1021407147 /nfs/dbraw/zinc/40/71/47/1021407147.db2.gz MMPFRNRAZMROKT-NFBKMPQASA-N 1 3 399.542 3.680 20 0 GHADHO CC(C)(C)N(Cc1ccccc1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001204604361 1032991032 /nfs/dbraw/zinc/99/10/32/1032991032.db2.gz KSSBDKQPAYWBSJ-UHFFFAOYSA-N 1 3 377.536 3.997 20 0 GHADHO Brc1ccc([C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)[C@@H]2CCCO2)cc1 ZINC000679331698 1021988448 /nfs/dbraw/zinc/98/84/48/1021988448.db2.gz MVRZKJSOQVUXOB-JVPBZIDWSA-N 1 3 379.342 3.743 20 0 GHADHO Cc1nn(C)c(C)c1CN1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001203066194 1022527252 /nfs/dbraw/zinc/52/72/52/1022527252.db2.gz WLSVRHVFOJKOQQ-UHFFFAOYSA-N 1 3 396.579 3.683 20 0 GHADHO CCN(CC)c1ncc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)s1 ZINC001138800515 1025386742 /nfs/dbraw/zinc/38/67/42/1025386742.db2.gz ZKTRJKZKVUMABQ-UHFFFAOYSA-N 1 3 399.608 3.872 20 0 GHADHO CCN(CC)c1ncc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)s1 ZINC001138800515 1025386757 /nfs/dbraw/zinc/38/67/57/1025386757.db2.gz ZKTRJKZKVUMABQ-UHFFFAOYSA-N 1 3 399.608 3.872 20 0 GHADHO FC(F)(F)c1cnc(N[C@H]2CNCc3ccsc32)c(C2=CC[NH2+]CC2)c1 ZINC001163226253 1026096150 /nfs/dbraw/zinc/09/61/50/1026096150.db2.gz DNFLKDLVJRUWTO-HNNXBMFYSA-N 1 3 380.439 3.795 20 0 GHADHO FC(F)(F)c1cnc(N[C@@H]2CNCc3ccsc32)c(C2=CC[NH2+]CC2)c1 ZINC001163226254 1026096382 /nfs/dbraw/zinc/09/63/82/1026096382.db2.gz DNFLKDLVJRUWTO-OAHLLOKOSA-N 1 3 380.439 3.795 20 0 GHADHO [NH3+]C1CCN(c2cccc(N[C@@H](c3cccnc3C(F)(F)F)C3CC3)n2)CC1 ZINC001163392440 1026177092 /nfs/dbraw/zinc/17/70/92/1026177092.db2.gz VSKYEECVBKCFEB-GOSISDBHSA-N 1 3 391.441 3.986 20 0 GHADHO CCOc1ccncc1C[N@@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001139629199 1026495537 /nfs/dbraw/zinc/49/55/37/1026495537.db2.gz BXGPUZQMZSUKPH-BWAGFHJFSA-N 1 3 380.536 3.608 20 0 GHADHO CCOc1ccncc1C[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001139629199 1026495539 /nfs/dbraw/zinc/49/55/39/1026495539.db2.gz BXGPUZQMZSUKPH-BWAGFHJFSA-N 1 3 380.536 3.608 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC001166247835 1026953013 /nfs/dbraw/zinc/95/30/13/1026953013.db2.gz LDMRVMCJYISGKF-XRLDXWBLSA-N 1 3 377.617 3.761 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC001166247835 1026953015 /nfs/dbraw/zinc/95/30/15/1026953015.db2.gz LDMRVMCJYISGKF-XRLDXWBLSA-N 1 3 377.617 3.761 20 0 GHADHO CN(c1ccccc1C[NH2+]CCc1c(F)cc([O-])cc1F)C1CC[NH+](C)CC1 ZINC001203808948 1027623860 /nfs/dbraw/zinc/62/38/60/1027623860.db2.gz BXISNUWRUAWCCG-UHFFFAOYSA-N 1 3 389.490 3.533 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cccc(C)c1)CC2 ZINC001203891605 1027685504 /nfs/dbraw/zinc/68/55/04/1027685504.db2.gz WHYHUVNOHFXZIK-HSZRJFAPSA-N 1 3 379.548 3.893 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1sccc1C)CC2 ZINC001204019851 1027809543 /nfs/dbraw/zinc/80/95/43/1027809543.db2.gz PMOHALATVLAZNM-FQEVSTJZSA-N 1 3 385.577 3.955 20 0 GHADHO CCOc1cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1O ZINC001204129966 1027902919 /nfs/dbraw/zinc/90/29/19/1027902919.db2.gz YZZRTBIMLLSOEB-UHFFFAOYSA-N 1 3 381.520 3.674 20 0 GHADHO CCOc1cc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1O ZINC001204129966 1027902923 /nfs/dbraw/zinc/90/29/23/1027902923.db2.gz YZZRTBIMLLSOEB-UHFFFAOYSA-N 1 3 381.520 3.674 20 0 GHADHO CN(CCCC[NH+]1CCCCC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001211343436 1027915179 /nfs/dbraw/zinc/91/51/79/1027915179.db2.gz XJGWOLZEUBHLLU-QFIPXVFZSA-N 1 3 386.584 3.731 20 0 GHADHO CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]2CNCc3ccccc32)n1 ZINC000843200010 1029845330 /nfs/dbraw/zinc/84/53/30/1029845330.db2.gz GNUJLNKFUBXOHA-HXUWFJFHSA-N 1 3 392.503 3.692 20 0 GHADHO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363782 1029942810 /nfs/dbraw/zinc/94/28/10/1029942810.db2.gz QEQIXQYAZFIREW-CYBMUJFWSA-N 1 3 380.414 3.892 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)N(C)C)cc1 ZINC001223475160 1030590508 /nfs/dbraw/zinc/59/05/08/1030590508.db2.gz NMMCZDMNZCHYAZ-FCHUYYIVSA-N 1 3 388.600 3.661 20 0 GHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC001224736160 1031095831 /nfs/dbraw/zinc/09/58/31/1031095831.db2.gz VPTQVYICCHUVDE-IBGZPJMESA-N 1 3 380.621 3.650 20 0 GHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC001224736160 1031095847 /nfs/dbraw/zinc/09/58/47/1031095847.db2.gz VPTQVYICCHUVDE-IBGZPJMESA-N 1 3 380.621 3.650 20 0 GHADHO CCN1CCN(Cc2ccc(NC(=O)c3cccc([C@H]4CCC[NH2+]4)c3)cc2)CC1 ZINC001218845425 1031110556 /nfs/dbraw/zinc/11/05/56/1031110556.db2.gz ADJKCBZSECAUNX-HSZRJFAPSA-N 1 3 392.547 3.501 20 0 GHADHO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001219025650 1031218827 /nfs/dbraw/zinc/21/88/27/1031218827.db2.gz DKEUSIBEGZREON-ZDUSSCGKSA-N 1 3 392.441 3.546 20 0 GHADHO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001219025650 1031218835 /nfs/dbraw/zinc/21/88/35/1031218835.db2.gz DKEUSIBEGZREON-ZDUSSCGKSA-N 1 3 392.441 3.546 20 0 GHADHO CN1Cc2c(NC(=O)C3CCC(C[NH3+])CC3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046571 1031227496 /nfs/dbraw/zinc/22/74/96/1031227496.db2.gz DQWYEXMNQXUBSM-CNBHCMJISA-N 1 3 377.532 3.968 20 0 GHADHO CC[C@]1(C(=O)Nc2cccc3c2CN(C)C[C@H]3c2ccccc2)CCC[NH2+]C1 ZINC001219047054 1031228929 /nfs/dbraw/zinc/22/89/29/1031228929.db2.gz PAYAFRZWSROTMU-RDPSFJRHSA-N 1 3 377.532 3.982 20 0 GHADHO O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001219669019 1031549358 /nfs/dbraw/zinc/54/93/58/1031549358.db2.gz IWQFCSCZSLIVEW-DEOSSOPVSA-N 1 3 391.559 3.796 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001219999611 1031738854 /nfs/dbraw/zinc/73/88/54/1031738854.db2.gz YJCZBNHSHCHXHT-YTFSRNRJSA-N 1 3 377.532 3.681 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC001220627211 1032026960 /nfs/dbraw/zinc/02/69/60/1032026960.db2.gz WEAZLDMVKQNGPR-ZWOKBUDYSA-N 1 3 392.613 3.573 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC001220627211 1032026976 /nfs/dbraw/zinc/02/69/76/1032026976.db2.gz WEAZLDMVKQNGPR-ZWOKBUDYSA-N 1 3 392.613 3.573 20 0 GHADHO C[NH+]1CCN(C(=N)Nc2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001157914943 1033823115 /nfs/dbraw/zinc/82/31/15/1033823115.db2.gz IMOYZPWZTMGZNM-UHFFFAOYSA-N 1 3 386.912 3.606 20 0 GHADHO Cc1nc(N(C)C)cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC001158089094 1033909500 /nfs/dbraw/zinc/90/95/00/1033909500.db2.gz WFUGSQQOZOUHFF-UHFFFAOYSA-N 1 3 393.457 3.628 20 0 GHADHO Cc1nc(N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)cc(N2CCCC2)n1 ZINC001158147185 1033935926 /nfs/dbraw/zinc/93/59/26/1033935926.db2.gz QYJTTXHMEYCKPB-WGSAOQKQSA-N 1 3 383.515 3.801 20 0 GHADHO COc1ccc(CN(c2ccc(CN3CCCC3)cn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158157712 1033942654 /nfs/dbraw/zinc/94/26/54/1033942654.db2.gz FFSMVNPIRKAQHZ-HZCBDIJESA-N 1 3 394.563 3.963 20 0 GHADHO Cc1ccc(-c2cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2)cc1 ZINC001230414718 1034042262 /nfs/dbraw/zinc/04/22/62/1034042262.db2.gz IFVPIJFEMLNHGA-FQEVSTJZSA-N 1 3 396.579 3.733 20 0 GHADHO Cc1ccc(-c2cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2)cc1 ZINC001230414718 1034042276 /nfs/dbraw/zinc/04/22/76/1034042276.db2.gz IFVPIJFEMLNHGA-FQEVSTJZSA-N 1 3 396.579 3.733 20 0 GHADHO COC(=O)c1ccc2c(c1)CN(CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207292127 1034243449 /nfs/dbraw/zinc/24/34/49/1034243449.db2.gz KJKXESKFZSHUFY-UHFFFAOYSA-N 1 3 378.516 3.744 20 0 GHADHO COC(=O)c1cccc2c1CCN(CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207293390 1034245202 /nfs/dbraw/zinc/24/52/02/1034245202.db2.gz IQIZYUTWYLQXBM-UHFFFAOYSA-N 1 3 378.516 3.744 20 0 GHADHO O=C(N(c1ccccc1)c1ccccc1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207442284 1034370201 /nfs/dbraw/zinc/37/02/01/1034370201.db2.gz XOKDQKMKJXNPCN-UHFFFAOYSA-N 1 3 378.520 3.562 20 0 GHADHO Cc1cc(N2CCN(CC3(C)CCN(C(=O)OC(C)(C)C)CC3)CC2)cc[nH+]1 ZINC001207816255 1034593347 /nfs/dbraw/zinc/59/33/47/1034593347.db2.gz LIWXNTSEFFUIJK-UHFFFAOYSA-N 1 3 388.556 3.549 20 0 GHADHO COc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(Cl)c1 ZINC001159460820 1034605624 /nfs/dbraw/zinc/60/56/24/1034605624.db2.gz OVNIJIGYSNRFSY-UHFFFAOYSA-N 1 3 384.911 3.653 20 0 GHADHO Cc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1NC(C)C ZINC001159460066 1034605681 /nfs/dbraw/zinc/60/56/81/1034605681.db2.gz NDFKGMXXJJTBJT-UHFFFAOYSA-N 1 3 392.551 3.515 20 0 GHADHO CC(C)n1ccc2c1ncnc2N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001159629706 1034696093 /nfs/dbraw/zinc/69/60/93/1034696093.db2.gz VWFQLZHSVDDYGS-MXVIHJGJSA-N 1 3 396.583 3.763 20 0 GHADHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC[C@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208654 1034799459 /nfs/dbraw/zinc/79/94/59/1034799459.db2.gz DIAKIVQSRNZNBH-WOJBJXKFSA-N 1 3 396.616 3.957 20 0 GHADHO COC(=O)[C@@H]1CCC[N@H+](C2CCN(CC[C@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208654 1034799474 /nfs/dbraw/zinc/79/94/74/1034799474.db2.gz DIAKIVQSRNZNBH-WOJBJXKFSA-N 1 3 396.616 3.957 20 0 GHADHO c1ccc(C[N@H+]2CCCC[C@@H]2CN2CC3(C2)CCN(Cc2cccnc2)C3)cc1 ZINC001208585436 1034942646 /nfs/dbraw/zinc/94/26/46/1034942646.db2.gz LRIQVFMQVCEMLT-XMMPIXPASA-N 1 3 390.575 3.644 20 0 GHADHO c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC3(C2)CCN(Cc2cccnc2)C3)cc1 ZINC001208585436 1034942648 /nfs/dbraw/zinc/94/26/48/1034942648.db2.gz LRIQVFMQVCEMLT-XMMPIXPASA-N 1 3 390.575 3.644 20 0 GHADHO CC[NH+]1CCC(CN2CCN([C@H](C)c3ccc(Br)cc3)CC2)CC1 ZINC001208603871 1034952466 /nfs/dbraw/zinc/95/24/66/1034952466.db2.gz HNCVGPHXNOULLI-QGZVFWFLSA-N 1 3 394.401 3.860 20 0 GHADHO C[N@@H+]1CCC[C@H](CN2CCC3(Cc4cc(Br)ccc4O3)CC2)C1 ZINC001208616662 1034955505 /nfs/dbraw/zinc/95/55/05/1034955505.db2.gz KZGCQTUEWBYCFW-HNNXBMFYSA-N 1 3 379.342 3.560 20 0 GHADHO C[N@H+]1CCC[C@H](CN2CCC3(Cc4cc(Br)ccc4O3)CC2)C1 ZINC001208616662 1034955512 /nfs/dbraw/zinc/95/55/12/1034955512.db2.gz KZGCQTUEWBYCFW-HNNXBMFYSA-N 1 3 379.342 3.560 20 0 GHADHO C[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC001160680553 1035033211 /nfs/dbraw/zinc/03/32/11/1035033211.db2.gz UNQNZAVTGIOYJT-ILBGXUMGSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(CC1CC[NH2+]CC1)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160679858 1035033505 /nfs/dbraw/zinc/03/35/05/1035033505.db2.gz LKEBWVPBRNZSDD-DEOSSOPVSA-N 1 3 391.559 3.679 20 0 GHADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160680802 1035033619 /nfs/dbraw/zinc/03/36/19/1035033619.db2.gz VTXIXFXWFXBMSS-OYDLWJJNSA-N 1 3 391.559 3.678 20 0 GHADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160683450 1035035583 /nfs/dbraw/zinc/03/55/83/1035035583.db2.gz MMQMCXDLTKQRRI-XZOQPEGZSA-N 1 3 391.559 3.535 20 0 GHADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CCCCN1C1CCCC1 ZINC001160737974 1035049530 /nfs/dbraw/zinc/04/95/30/1035049530.db2.gz APWADAPUJDGFHD-FGZHOGPDSA-N 1 3 375.601 3.944 20 0 GHADHO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCCCN1C1CCCC1 ZINC001160737974 1035049539 /nfs/dbraw/zinc/04/95/39/1035049539.db2.gz APWADAPUJDGFHD-FGZHOGPDSA-N 1 3 375.601 3.944 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943905 1035114137 /nfs/dbraw/zinc/11/41/37/1035114137.db2.gz WMIQWBVVSZCVRY-XUZZJYLKSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943905 1035114141 /nfs/dbraw/zinc/11/41/41/1035114141.db2.gz WMIQWBVVSZCVRY-XUZZJYLKSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208945071 1035115227 /nfs/dbraw/zinc/11/52/27/1035115227.db2.gz YMPHRLDRKQGXEP-PQNGQFLHSA-N 1 3 399.579 3.888 20 0 GHADHO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208945071 1035115232 /nfs/dbraw/zinc/11/52/32/1035115232.db2.gz YMPHRLDRKQGXEP-PQNGQFLHSA-N 1 3 399.579 3.888 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC001232146329 1035124405 /nfs/dbraw/zinc/12/44/05/1035124405.db2.gz MYQSKRRORWIOIB-ACDBMABISA-N 1 3 391.531 3.907 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001232151035 1035130067 /nfs/dbraw/zinc/13/00/67/1035130067.db2.gz JUXIBBJBSSZKDQ-SXLOBPIMSA-N 1 3 391.531 3.622 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001232151035 1035130074 /nfs/dbraw/zinc/13/00/74/1035130074.db2.gz JUXIBBJBSSZKDQ-SXLOBPIMSA-N 1 3 391.531 3.622 20 0 GHADHO Cc1ccc(CN(C(=O)[C@H]2NCCC[C@H]2C(F)(F)F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161397230 1035222163 /nfs/dbraw/zinc/22/21/63/1035222163.db2.gz VLQSEHUNRPDAGP-MKXGPGLRSA-N 1 3 397.485 3.524 20 0 GHADHO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383592 1035264848 /nfs/dbraw/zinc/26/48/48/1035264848.db2.gz XHHJYEGBIBGEHZ-QMUALULASA-N 1 3 390.612 3.651 20 0 GHADHO C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383592 1035264856 /nfs/dbraw/zinc/26/48/56/1035264856.db2.gz XHHJYEGBIBGEHZ-QMUALULASA-N 1 3 390.612 3.651 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001209450896 1035277211 /nfs/dbraw/zinc/27/72/11/1035277211.db2.gz VEMLVDZFSZRZAG-QFIPXVFZSA-N 1 3 379.589 3.976 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001209450896 1035277215 /nfs/dbraw/zinc/27/72/15/1035277215.db2.gz VEMLVDZFSZRZAG-QFIPXVFZSA-N 1 3 379.589 3.976 20 0 GHADHO CCOC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001461988811 1069931024 /nfs/dbraw/zinc/93/10/24/1069931024.db2.gz LBQWDLKJRFHJAV-ZWUBBELISA-N 1 3 384.564 3.999 20 0 GHADHO Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001248413760 1035833051 /nfs/dbraw/zinc/83/30/51/1035833051.db2.gz GFTBXKLOINTBGS-UHFFFAOYSA-N 1 3 382.552 3.821 20 0 GHADHO CC[N@H+]1CC=C(c2cnc(-c3cccc(N4CCN(C)CC4)c3)c(C)c2)CC1 ZINC001243667459 1036243592 /nfs/dbraw/zinc/24/35/92/1036243592.db2.gz QCOAKQZICVEVSJ-UHFFFAOYSA-N 1 3 376.548 3.918 20 0 GHADHO CC[N@@H+]1CC=C(c2cnc(-c3cccc(N4CCN(C)CC4)c3)c(C)c2)CC1 ZINC001243667459 1036243611 /nfs/dbraw/zinc/24/36/11/1036243611.db2.gz QCOAKQZICVEVSJ-UHFFFAOYSA-N 1 3 376.548 3.918 20 0 GHADHO Cc1ccc(OC[C@H](O)CN[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)cc1 ZINC001246008468 1037129734 /nfs/dbraw/zinc/12/97/34/1037129734.db2.gz SYOUJXPEFZFTSG-XXBNENTESA-N 1 3 386.511 3.594 20 0 GHADHO CCC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246046980 1037160586 /nfs/dbraw/zinc/16/05/86/1037160586.db2.gz ROBPKALWDDPONW-VQTJNVASSA-N 1 3 391.353 3.592 20 0 GHADHO CCC[N@H+](Cc1cccc(Br)c1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246046980 1037160593 /nfs/dbraw/zinc/16/05/93/1037160593.db2.gz ROBPKALWDDPONW-VQTJNVASSA-N 1 3 391.353 3.592 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCSC[C@@H]1c1cccc2ccccc21 ZINC001246058377 1037170509 /nfs/dbraw/zinc/17/05/09/1037170509.db2.gz KQZDBELKFGYJPA-RBZQAINGSA-N 1 3 392.568 3.861 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCSC[C@@H]1c1cccc2ccccc21 ZINC001246058377 1037170523 /nfs/dbraw/zinc/17/05/23/1037170523.db2.gz KQZDBELKFGYJPA-RBZQAINGSA-N 1 3 392.568 3.861 20 0 GHADHO Fc1ccccc1C1(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)CCOCC1 ZINC001246178811 1037224895 /nfs/dbraw/zinc/22/48/95/1037224895.db2.gz OHMQYZPLKBENRN-SFTDATJTSA-N 1 3 382.523 3.827 20 0 GHADHO CCCC[C@H]1C[C@H](NC[C@H]2C[C@]2(C(=O)N(CC)CC)c2ccccc2)CC[NH2+]1 ZINC001246283209 1037276276 /nfs/dbraw/zinc/27/62/76/1037276276.db2.gz AITZOWSJGOQUDZ-GBAAUQCPSA-N 1 3 385.596 3.713 20 0 GHADHO Fc1cccc(CN2CCC([NH2+][C@H]3CCN[C@H](Cc4ccccc4)C3)CC2)c1F ZINC001246352220 1037310086 /nfs/dbraw/zinc/31/00/86/1037310086.db2.gz BEKHYECVXFMFOY-FCHUYYIVSA-N 1 3 399.529 3.882 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246362172 1037322585 /nfs/dbraw/zinc/32/25/85/1037322585.db2.gz NXLLDXZMOBLSOG-XJUOHMSHSA-N 1 3 385.502 3.930 20 0 GHADHO COc1cccc(CC2(N[C@H]3C[C@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246374642 1037332404 /nfs/dbraw/zinc/33/24/04/1037332404.db2.gz GGNUFRHUOXZRNP-REWPJTCUSA-N 1 3 393.575 3.613 20 0 GHADHO CCOC(=O)C1(C)CCC([NH2+]C2(Cc3ccccc3F)CCNCC2)CC1 ZINC001246382430 1037342743 /nfs/dbraw/zinc/34/27/43/1037342743.db2.gz XVFPFEFLMAVDTP-UHFFFAOYSA-N 1 3 376.516 3.592 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H](NC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246392871 1037351475 /nfs/dbraw/zinc/35/14/75/1037351475.db2.gz PFOCXTSAKPIVFQ-HKUYNNGSSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246392871 1037351493 /nfs/dbraw/zinc/35/14/93/1037351493.db2.gz PFOCXTSAKPIVFQ-HKUYNNGSSA-N 1 3 378.944 3.716 20 0 GHADHO C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1 ZINC001246397802 1037356612 /nfs/dbraw/zinc/35/66/12/1037356612.db2.gz UNYCRIYXKFBECD-GCJKJVERSA-N 1 3 386.561 3.569 20 0 GHADHO CCn1c2ccccc2nc1N1CCC[C@H](N[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246403909 1037361700 /nfs/dbraw/zinc/36/17/00/1037361700.db2.gz FNTCKVRQNRYDJR-BBTUJRGHSA-N 1 3 383.584 3.781 20 0 GHADHO FC(F)(F)c1ccccc1C1([NH2+][C@@H]2CCN[C@H](C(F)(F)F)C2)CCNCC1 ZINC001246453512 1037413967 /nfs/dbraw/zinc/41/39/67/1037413967.db2.gz WMYOZDPOWOOPRG-DOMZBBRYSA-N 1 3 395.391 3.557 20 0 GHADHO CC(C)(C)OC(=O)COc1ccc(CCN[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246484827 1037430903 /nfs/dbraw/zinc/43/09/03/1037430903.db2.gz RPWVPNCACVFKRM-ICSRJNTNSA-N 1 3 390.568 3.706 20 0 GHADHO FC(F)(F)c1cccnc1N1CCN(C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246528549 1037463278 /nfs/dbraw/zinc/46/32/78/1037463278.db2.gz IEVJZGBRILBMHP-UHFFFAOYSA-N 1 3 382.474 3.535 20 0 GHADHO N[C@H]1CN([C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@H]1F ZINC001246532228 1037464452 /nfs/dbraw/zinc/46/44/52/1037464452.db2.gz WGFWZEGMQHJWMT-NHTNDUFYSA-N 1 3 393.550 3.732 20 0 GHADHO N[C@H]1CN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@H]1F ZINC001246532228 1037464472 /nfs/dbraw/zinc/46/44/72/1037464472.db2.gz WGFWZEGMQHJWMT-NHTNDUFYSA-N 1 3 393.550 3.732 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@H](CN)[C@@H]2C)CC1 ZINC001246566497 1037483126 /nfs/dbraw/zinc/48/31/26/1037483126.db2.gz RRWTXNOVSHOKGT-ZIMDUQAISA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@H](CN)[C@@H]2C)CC1 ZINC001246566497 1037483149 /nfs/dbraw/zinc/48/31/49/1037483149.db2.gz RRWTXNOVSHOKGT-ZIMDUQAISA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2C[C@@H](CN)CC[C@@H]2C)CC1 ZINC001246595528 1037495449 /nfs/dbraw/zinc/49/54/49/1037495449.db2.gz ZYMIPFOBPBPWKZ-ZIMDUQAISA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@@H](CN)CC[C@@H]2C)CC1 ZINC001246595528 1037495457 /nfs/dbraw/zinc/49/54/57/1037495457.db2.gz ZYMIPFOBPBPWKZ-ZIMDUQAISA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246605656 1037502373 /nfs/dbraw/zinc/50/23/73/1037502373.db2.gz CCJWLKLEKOIRMP-IRQNMHNUSA-N 1 3 390.955 3.911 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246605656 1037502390 /nfs/dbraw/zinc/50/23/90/1037502390.db2.gz CCJWLKLEKOIRMP-IRQNMHNUSA-N 1 3 390.955 3.911 20 0 GHADHO Clc1ccccc1N1CCC(N2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)CC1 ZINC001246629364 1037515713 /nfs/dbraw/zinc/51/57/13/1037515713.db2.gz YYWVGNUFYNNXPV-HXUWFJFHSA-N 1 3 381.951 3.998 20 0 GHADHO Clc1ccccc1N1CCC([N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)CC1 ZINC001246629364 1037515724 /nfs/dbraw/zinc/51/57/24/1037515724.db2.gz YYWVGNUFYNNXPV-HXUWFJFHSA-N 1 3 381.951 3.998 20 0 GHADHO Clc1ccccc1N1CCC([N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)CC1 ZINC001246629364 1037515731 /nfs/dbraw/zinc/51/57/31/1037515731.db2.gz YYWVGNUFYNNXPV-HXUWFJFHSA-N 1 3 381.951 3.998 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001246631435 1037517659 /nfs/dbraw/zinc/51/76/59/1037517659.db2.gz OZWSNOLXWMNJSA-IBGZPJMESA-N 1 3 398.497 3.968 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001246631435 1037517667 /nfs/dbraw/zinc/51/76/67/1037517667.db2.gz OZWSNOLXWMNJSA-IBGZPJMESA-N 1 3 398.497 3.968 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246710703 1037561847 /nfs/dbraw/zinc/56/18/47/1037561847.db2.gz SRNPHADTNVPKJT-WOIUINJBSA-N 1 3 389.609 3.987 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CC[NH2+]1 ZINC001246727147 1037577393 /nfs/dbraw/zinc/57/73/93/1037577393.db2.gz USEGMPSFMHIKSI-JFYQVNSESA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CCN1 ZINC001246727147 1037577412 /nfs/dbraw/zinc/57/74/12/1037577412.db2.gz USEGMPSFMHIKSI-JFYQVNSESA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CCN1 ZINC001246727147 1037577423 /nfs/dbraw/zinc/57/74/23/1037577423.db2.gz USEGMPSFMHIKSI-JFYQVNSESA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CC[NH2+]1 ZINC001246727144 1037577719 /nfs/dbraw/zinc/57/77/19/1037577719.db2.gz USEGMPSFMHIKSI-FBPBVXOASA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CCN1 ZINC001246727144 1037577726 /nfs/dbraw/zinc/57/77/26/1037577726.db2.gz USEGMPSFMHIKSI-FBPBVXOASA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CCN1 ZINC001246727144 1037577735 /nfs/dbraw/zinc/57/77/35/1037577735.db2.gz USEGMPSFMHIKSI-FBPBVXOASA-N 1 3 375.601 3.943 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246761660 1037604567 /nfs/dbraw/zinc/60/45/67/1037604567.db2.gz ULEYXXBWRHSNSO-CLRGLAINSA-N 1 3 387.543 3.889 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246761660 1037604591 /nfs/dbraw/zinc/60/45/91/1037604591.db2.gz ULEYXXBWRHSNSO-CLRGLAINSA-N 1 3 387.543 3.889 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CCC3(C[C@H](CC(=O)NC)c4ccccc43)CC2)CC[NH2+]1 ZINC001246768303 1037609392 /nfs/dbraw/zinc/60/93/92/1037609392.db2.gz UBFIYLMQRKIODS-PWRODBHTSA-N 1 3 397.607 3.954 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH+]2CCC3(C[C@H](CC(=O)NC)c4ccccc43)CC2)CCN1 ZINC001246768303 1037609400 /nfs/dbraw/zinc/60/94/00/1037609400.db2.gz UBFIYLMQRKIODS-PWRODBHTSA-N 1 3 397.607 3.954 20 0 GHADHO CCOCC[N@H+]([C@H](C)CCc1ccc(Br)cc1)C1CCNCC1 ZINC001246949351 1037753830 /nfs/dbraw/zinc/75/38/30/1037753830.db2.gz JOXLNWFQYRQBOU-MRXNPFEDSA-N 1 3 383.374 3.861 20 0 GHADHO CCOCC[N@@H+]([C@H](C)CCc1ccc(Br)cc1)C1CCNCC1 ZINC001246949351 1037753843 /nfs/dbraw/zinc/75/38/43/1037753843.db2.gz JOXLNWFQYRQBOU-MRXNPFEDSA-N 1 3 383.374 3.861 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952453 1037755105 /nfs/dbraw/zinc/75/51/05/1037755105.db2.gz SSNHPJCFGUJTQU-NQIIRXRSSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952453 1037755124 /nfs/dbraw/zinc/75/51/24/1037755124.db2.gz SSNHPJCFGUJTQU-NQIIRXRSSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246956764 1037769625 /nfs/dbraw/zinc/76/96/25/1037769625.db2.gz UUYKQUSTSLFYHG-UTKZUKDTSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246956764 1037769655 /nfs/dbraw/zinc/76/96/55/1037769655.db2.gz UUYKQUSTSLFYHG-UTKZUKDTSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)[C@H]2CCc3ccc(C)cc3C2)c1 ZINC001246959741 1037776079 /nfs/dbraw/zinc/77/60/79/1037776079.db2.gz SGSSKBJFLYWEJX-DEOSSOPVSA-N 1 3 392.543 3.893 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)[C@H]2CCc3ccc(C)cc3C2)c1 ZINC001246959741 1037776097 /nfs/dbraw/zinc/77/60/97/1037776097.db2.gz SGSSKBJFLYWEJX-DEOSSOPVSA-N 1 3 392.543 3.893 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+](C[C@H]3CCCNC3)C3CC3)CC[C@H]2C1 ZINC001246976993 1037803412 /nfs/dbraw/zinc/80/34/12/1037803412.db2.gz XIWBGTASYWJOEM-CHLMOITFSA-N 1 3 395.591 3.781 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+](C[C@H]3CCCNC3)C3CC3)CC[C@H]2C1 ZINC001246976993 1037803431 /nfs/dbraw/zinc/80/34/31/1037803431.db2.gz XIWBGTASYWJOEM-CHLMOITFSA-N 1 3 395.591 3.781 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccc(N)nc4C)CC3)CC2)c1 ZINC001232338784 1038117041 /nfs/dbraw/zinc/11/70/41/1038117041.db2.gz FPSBTFAGMLWZOE-UHFFFAOYSA-N 1 3 394.563 3.859 20 0 GHADHO COc1cc(O)cc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001232802018 1038564279 /nfs/dbraw/zinc/56/42/79/1038564279.db2.gz OZQBQVIJPAQIHF-UHFFFAOYSA-N 1 3 381.520 3.672 20 0 GHADHO COc1cc(O)cc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001232802018 1038564287 /nfs/dbraw/zinc/56/42/87/1038564287.db2.gz OZQBQVIJPAQIHF-UHFFFAOYSA-N 1 3 381.520 3.672 20 0 GHADHO Cc1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cnc1C ZINC001233160208 1038935095 /nfs/dbraw/zinc/93/50/95/1038935095.db2.gz RUDXKDNKBLIPRD-QHCPKHFHSA-N 1 3 379.548 3.954 20 0 GHADHO Cc1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnc1C ZINC001233160208 1038935098 /nfs/dbraw/zinc/93/50/98/1038935098.db2.gz RUDXKDNKBLIPRD-QHCPKHFHSA-N 1 3 379.548 3.954 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001252383846 1038968690 /nfs/dbraw/zinc/96/86/90/1038968690.db2.gz XXDBIQWAFXAEJN-FDFHNCONSA-N 1 3 382.548 3.918 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001252383846 1038968695 /nfs/dbraw/zinc/96/86/95/1038968695.db2.gz XXDBIQWAFXAEJN-FDFHNCONSA-N 1 3 382.548 3.918 20 0 GHADHO COC(=O)/C=C/c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001233299422 1039092104 /nfs/dbraw/zinc/09/21/04/1039092104.db2.gz YPSQUVMALIANCL-ZEWVGQQJSA-N 1 3 390.527 3.971 20 0 GHADHO COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001233299422 1039092123 /nfs/dbraw/zinc/09/21/23/1039092123.db2.gz YPSQUVMALIANCL-ZEWVGQQJSA-N 1 3 390.527 3.971 20 0 GHADHO O[C@]1(CN[C@@H](c2cccc(F)c2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252947703 1039291980 /nfs/dbraw/zinc/29/19/80/1039291980.db2.gz CXYLLFJGPZRTFM-RPWUZVMVSA-N 1 3 398.522 3.520 20 0 GHADHO O[C@]1(CN[C@@H](c2cccc(F)c2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947703 1039291992 /nfs/dbraw/zinc/29/19/92/1039291992.db2.gz CXYLLFJGPZRTFM-RPWUZVMVSA-N 1 3 398.522 3.520 20 0 GHADHO O[C@H](CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253360459 1039571948 /nfs/dbraw/zinc/57/19/48/1039571948.db2.gz GDGPERISXTVDPH-TXTKFYIRSA-N 1 3 386.486 3.842 20 0 GHADHO O[C@H](CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253360459 1039571963 /nfs/dbraw/zinc/57/19/63/1039571963.db2.gz GDGPERISXTVDPH-TXTKFYIRSA-N 1 3 386.486 3.842 20 0 GHADHO COc1ncc(C[NH2+][C@@]23CC[C@@](NCc4scnc4C)(C2)CCC3)s1 ZINC001278720363 1039620661 /nfs/dbraw/zinc/62/06/61/1039620661.db2.gz HNJFTBYOSNLCNE-ZWKOTPCHSA-N 1 3 378.567 3.641 20 0 GHADHO CN(c1ccc(F)cc1)c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC001234289441 1039954168 /nfs/dbraw/zinc/95/41/68/1039954168.db2.gz BISXPSSVCLKPNO-UHFFFAOYSA-N 1 3 396.554 3.805 20 0 GHADHO OC1(CN[C@H](c2cccnc2Cl)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254055697 1039978610 /nfs/dbraw/zinc/97/86/10/1039978610.db2.gz ZEPOSQASVIHZOL-FQEVSTJZSA-N 1 3 385.939 3.803 20 0 GHADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001254493600 1040279700 /nfs/dbraw/zinc/27/97/00/1040279700.db2.gz LYXGVOXDODLIQR-QHCPKHFHSA-N 1 3 395.591 3.612 20 0 GHADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001254493600 1040279705 /nfs/dbraw/zinc/27/97/05/1040279705.db2.gz LYXGVOXDODLIQR-QHCPKHFHSA-N 1 3 395.591 3.612 20 0 GHADHO FC(F)(F)c1cccc(-n2cc(CN3CCC4(CC[NH2+]CC4)CC3)cn2)c1 ZINC001235132596 1040625992 /nfs/dbraw/zinc/62/59/92/1040625992.db2.gz ITVOLUODDHCRCF-UHFFFAOYSA-N 1 3 378.442 3.857 20 0 GHADHO Cc1cc(C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)cc(C)c1OCCO ZINC001235362256 1040845474 /nfs/dbraw/zinc/84/54/74/1040845474.db2.gz IKTDOHCUFKWFBF-UHFFFAOYSA-N 1 3 398.547 3.756 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235364093 1040853616 /nfs/dbraw/zinc/85/36/16/1040853616.db2.gz KYLZIRRJZRROEI-RKONGDRVSA-N 1 3 384.564 3.609 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235364093 1040853630 /nfs/dbraw/zinc/85/36/30/1040853630.db2.gz KYLZIRRJZRROEI-RKONGDRVSA-N 1 3 384.564 3.609 20 0 GHADHO O=C(C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1)N1CCCCC1 ZINC001255145949 1040859461 /nfs/dbraw/zinc/85/94/61/1040859461.db2.gz XYAVIUDBKFDJAF-BKFWDETESA-N 1 3 395.591 3.907 20 0 GHADHO O=C(C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)N1CCCCC1 ZINC001255145949 1040859478 /nfs/dbraw/zinc/85/94/78/1040859478.db2.gz XYAVIUDBKFDJAF-BKFWDETESA-N 1 3 395.591 3.907 20 0 GHADHO Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255151031 1040870499 /nfs/dbraw/zinc/87/04/99/1040870499.db2.gz QXJUBBGMBJUZPB-WZYRSQIMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1nccnc1O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255151031 1040870516 /nfs/dbraw/zinc/87/05/16/1040870516.db2.gz QXJUBBGMBJUZPB-WZYRSQIMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255151030 1040872148 /nfs/dbraw/zinc/87/21/48/1040872148.db2.gz QXJUBBGMBJUZPB-KAOXLYBCSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1nccnc1O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255151030 1040872154 /nfs/dbraw/zinc/87/21/54/1040872154.db2.gz QXJUBBGMBJUZPB-KAOXLYBCSA-N 1 3 392.547 3.824 20 0 GHADHO c1ccc([C@@]23CC[NH2+]C[C@H]2CN(Cc2ccc(-c4cncnc4)cc2)CC3)cc1 ZINC001235375170 1040887730 /nfs/dbraw/zinc/88/77/30/1040887730.db2.gz ZARDHNKHDIHLCY-DQEYMECFSA-N 1 3 384.527 3.897 20 0 GHADHO Ic1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235427854 1040928603 /nfs/dbraw/zinc/92/86/03/1040928603.db2.gz UDNKSDDUJMSEIF-CVEARBPZSA-N 1 3 384.305 3.503 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H](N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)C1 ZINC001255358409 1040960279 /nfs/dbraw/zinc/96/02/79/1040960279.db2.gz VALMNIUOHSJLJN-RTBURBONSA-N 1 3 381.520 3.787 20 0 GHADHO O=C1N(Cc2cccc(F)c2)CC[C@]12CCN(CCC[NH2+]C1CCCCC1)C2 ZINC001235491478 1040960523 /nfs/dbraw/zinc/96/05/23/1040960523.db2.gz RKTBAUOCSQRCMK-QHCPKHFHSA-N 1 3 387.543 3.563 20 0 GHADHO c1ccc(CN2CCC[C@H]([N@@H+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399501 1040985814 /nfs/dbraw/zinc/98/58/14/1040985814.db2.gz SXPODVWCBIBQFZ-DEOSSOPVSA-N 1 3 378.564 3.644 20 0 GHADHO c1ccc(CN2CCC[C@H]([N@H+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399501 1040985817 /nfs/dbraw/zinc/98/58/17/1040985817.db2.gz SXPODVWCBIBQFZ-DEOSSOPVSA-N 1 3 378.564 3.644 20 0 GHADHO CC1(C)[NH2+][C@@H](CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)CO1 ZINC001235673413 1041132274 /nfs/dbraw/zinc/13/22/74/1041132274.db2.gz GDWVCQBSNYPBBX-QFIPXVFZSA-N 1 3 379.548 3.508 20 0 GHADHO Brc1cccc([C@H]2CN(CCC[NH2+]C3CCCCC3)CCN2)c1 ZINC001235796160 1041296936 /nfs/dbraw/zinc/29/69/36/1041296936.db2.gz QIQIXCVDTIQMHH-LJQANCHMSA-N 1 3 380.374 3.708 20 0 GHADHO CN(CCc1ccccc1Cl)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235839031 1041366170 /nfs/dbraw/zinc/36/61/70/1041366170.db2.gz HJWGNLIWSNXQMD-UHFFFAOYSA-N 1 3 383.927 3.524 20 0 GHADHO [NH3+]C12CC(CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)(C1)C2 ZINC001235868147 1041402127 /nfs/dbraw/zinc/40/21/27/1041402127.db2.gz VAJQDEAOWSAWRE-DDRJZQQSSA-N 1 3 381.951 3.928 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)NC[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255945929 1041430666 /nfs/dbraw/zinc/43/06/66/1041430666.db2.gz PQWIAXQNMRHGDN-HZPDHXFCSA-N 1 3 377.520 3.589 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](N2Cc3c(cccc3F)C2=O)CC1 ZINC001255952260 1041434082 /nfs/dbraw/zinc/43/40/82/1041434082.db2.gz DULMVYAZDLSZED-BZSNNMDCSA-N 1 3 375.532 3.803 20 0 GHADHO CCOC(=O)N1CC[C@@H](N2CCC3(CCC[N@H+](Cc4ccc(C)cc4)C3)CC2)C1 ZINC001256033300 1041486056 /nfs/dbraw/zinc/48/60/56/1041486056.db2.gz WTDHVKMRANCCLE-JOCHJYFZSA-N 1 3 399.579 3.904 20 0 GHADHO CCOC(=O)N1CC[C@@H](N2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)C1 ZINC001256033300 1041486062 /nfs/dbraw/zinc/48/60/62/1041486062.db2.gz WTDHVKMRANCCLE-JOCHJYFZSA-N 1 3 399.579 3.904 20 0 GHADHO Clc1ccc(CN2CCC(C[NH2+]C3CCN(c4ncccn4)CC3)CC2)cc1 ZINC001256051666 1041496097 /nfs/dbraw/zinc/49/60/97/1041496097.db2.gz LCDBQIAITIRDHU-UHFFFAOYSA-N 1 3 399.970 3.601 20 0 GHADHO COCCCOc1cc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc1OC ZINC001236376582 1041687072 /nfs/dbraw/zinc/68/70/72/1041687072.db2.gz UBSYMVKXOAYFOU-FQEVSTJZSA-N 1 3 390.568 3.855 20 0 GHADHO Fc1ccc(CN(Cc2ccc(Br)cn2)CC2CC[NH2+]CC2)cc1 ZINC001236383575 1041691400 /nfs/dbraw/zinc/69/14/00/1041691400.db2.gz ULJLCQZYNIROBN-UHFFFAOYSA-N 1 3 392.316 3.985 20 0 GHADHO Fc1ccc(CN(Cc2cc(Br)c[nH]2)CC2CC[NH2+]CC2)cc1 ZINC001236384038 1041692458 /nfs/dbraw/zinc/69/24/58/1041692458.db2.gz YEAMOYYAYYRXIB-UHFFFAOYSA-N 1 3 380.305 3.918 20 0 GHADHO CC(C)(C)c1cc(CN2CCC(N3CC[C@@H]([NH3+])C3)CC2)cc(C(C)(C)C)c1O ZINC001236615166 1041782631 /nfs/dbraw/zinc/78/26/31/1041782631.db2.gz GGTQWXJXCCGNSZ-GOSISDBHSA-N 1 3 387.612 3.985 20 0 GHADHO COc1ccccc1CN(Cc1scc2c1OCCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709525 1041847548 /nfs/dbraw/zinc/84/75/48/1041847548.db2.gz ICLBDVRMARUXMT-QAQDUYKDSA-N 1 3 388.533 3.800 20 0 GHADHO CCOC(=O)c1ccnc(CN(Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726897 1041859721 /nfs/dbraw/zinc/85/97/21/1041859721.db2.gz PTHJLSKPQPUYON-AQYVVDRMSA-N 1 3 381.520 3.839 20 0 GHADHO COC[C@@H]1COCCC12CC[NH+](Cc1ccc3c(c1)C(C(C)C)=NCC3)CC2 ZINC001237876360 1042404845 /nfs/dbraw/zinc/40/48/45/1042404845.db2.gz GDLQWZAXHNDQHO-OAQYLSRUSA-N 1 3 384.564 3.953 20 0 GHADHO COc1c(C)cnc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176039 1042509879 /nfs/dbraw/zinc/50/98/79/1042509879.db2.gz KLMSAVIXWJYBRB-IEIRFRATSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176039 1042509882 /nfs/dbraw/zinc/50/98/82/1042509882.db2.gz KLMSAVIXWJYBRB-IEIRFRATSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176039 1042509886 /nfs/dbraw/zinc/50/98/86/1042509886.db2.gz KLMSAVIXWJYBRB-IEIRFRATSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176039 1042509891 /nfs/dbraw/zinc/50/98/91/1042509891.db2.gz KLMSAVIXWJYBRB-IEIRFRATSA-N 1 3 394.563 3.835 20 0 GHADHO FC(F)(F)Oc1ccc(CNC[C@@H]2C[NH+]3CCC2CC3)cc1Br ZINC001462632043 1070430044 /nfs/dbraw/zinc/43/00/44/1070430044.db2.gz APZBXCUBFGIMON-CYBMUJFWSA-N 1 3 393.247 3.779 20 0 GHADHO Cc1cnc(-c2ccccc2)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001238622774 1042662629 /nfs/dbraw/zinc/66/26/29/1042662629.db2.gz XRDGVMUQVWYNSV-UHFFFAOYSA-N 1 3 378.564 3.516 20 0 GHADHO O=C1Nc2ccc(-c3ccc(CN4CCCC4)c(F)c3)cc2C12CC[NH2+]CC2 ZINC001240816469 1042956109 /nfs/dbraw/zinc/95/61/09/1042956109.db2.gz DXNJGEBVDFLYMM-UHFFFAOYSA-N 1 3 379.479 3.662 20 0 GHADHO CC(C)(C)N1CCC([NH2+]CC2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC001256566599 1043539761 /nfs/dbraw/zinc/53/97/61/1043539761.db2.gz WSBDFDOOTGAWFJ-UHFFFAOYSA-N 1 3 375.532 3.530 20 0 GHADHO COCCN(C)[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001256568901 1043542503 /nfs/dbraw/zinc/54/25/03/1043542503.db2.gz KBUWYCSOZZFNRW-FQEVSTJZSA-N 1 3 381.992 3.812 20 0 GHADHO CC[C@H]1N(C2CC[NH+](C(C)(C)C)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001256572964 1043546081 /nfs/dbraw/zinc/54/60/81/1043546081.db2.gz IYEMVZGIHOJAOT-OFNKIYASSA-N 1 3 375.601 3.895 20 0 GHADHO CC(C)(C)N1CCC([NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)CC1 ZINC001256577675 1043549703 /nfs/dbraw/zinc/54/97/03/1043549703.db2.gz PSWWZNFWCPQPCH-UHFFFAOYSA-N 1 3 391.987 3.931 20 0 GHADHO CCC[NH2+][C@H]1CCc2c(sc(=N)n2C2CCN(Cc3ccccc3)CC2)C1 ZINC001256610287 1043573570 /nfs/dbraw/zinc/57/35/70/1043573570.db2.gz BEVRPZDUEWIVFK-SFHVURJKSA-N 1 3 384.593 3.723 20 0 GHADHO CC(C)(C)OC(=O)Nc1ccccc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678495 1043616948 /nfs/dbraw/zinc/61/69/48/1043616948.db2.gz NBBNOOURIFVEHN-UHFFFAOYSA-N 1 3 389.540 3.767 20 0 GHADHO Clc1ccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)cc1 ZINC001256685332 1043621262 /nfs/dbraw/zinc/62/12/62/1043621262.db2.gz DFNGMXGOYMEQRE-UHFFFAOYSA-N 1 3 378.944 3.579 20 0 GHADHO C1=C2CCCN(C3CCC(N4CCOCC4)CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001256695513 1043627011 /nfs/dbraw/zinc/62/70/11/1043627011.db2.gz CJEXLCSSCAYOAT-GXTWIAECSA-N 1 3 399.623 3.525 20 0 GHADHO C1=C2CCCN(C3CCC(N4CCOCC4)CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001256695513 1043627023 /nfs/dbraw/zinc/62/70/23/1043627023.db2.gz CJEXLCSSCAYOAT-GXTWIAECSA-N 1 3 399.623 3.525 20 0 GHADHO c1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C2CCC(N4CCOCC4)CC2)C3)cc1 ZINC001256696911 1043629257 /nfs/dbraw/zinc/62/92/57/1043629257.db2.gz QAIVVAOKELEBHR-DDJHWDJXSA-N 1 3 397.607 3.618 20 0 GHADHO c1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C2CCC(N4CCOCC4)CC2)C3)cc1 ZINC001256696911 1043629263 /nfs/dbraw/zinc/62/92/63/1043629263.db2.gz QAIVVAOKELEBHR-DDJHWDJXSA-N 1 3 397.607 3.618 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]2C1 ZINC001257813766 1044194967 /nfs/dbraw/zinc/19/49/67/1044194967.db2.gz BZUANRFXCQCUBN-AWWSKVOZSA-N 1 3 391.600 3.830 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]2C1 ZINC001257813766 1044194971 /nfs/dbraw/zinc/19/49/71/1044194971.db2.gz BZUANRFXCQCUBN-AWWSKVOZSA-N 1 3 391.600 3.830 20 0 GHADHO COc1cc(C[C@H](C)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC001258855770 1044795982 /nfs/dbraw/zinc/79/59/82/1044795982.db2.gz QZBDKPLLORASEA-BZSNNMDCSA-N 1 3 378.557 3.601 20 0 GHADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cc(Br)cs3)(C1)CCC2 ZINC001279166868 1047735088 /nfs/dbraw/zinc/73/50/88/1047735088.db2.gz ZKIYFRGWXZXMNT-DLBZAZTESA-N 1 3 386.403 3.597 20 0 GHADHO COc1cccc(Cl)c1CN1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279309593 1047762508 /nfs/dbraw/zinc/76/25/08/1047762508.db2.gz ZZSSXDDJCDZHIW-OAQYLSRUSA-N 1 3 379.976 3.588 20 0 GHADHO CSc1ccc(Cl)cc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001280156147 1048108156 /nfs/dbraw/zinc/10/81/56/1048108156.db2.gz GAUCEDQXUUEXRP-UHFFFAOYSA-N 1 3 382.017 3.911 20 0 GHADHO CSc1ccc(Cl)cc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001280156147 1048108162 /nfs/dbraw/zinc/10/81/62/1048108162.db2.gz GAUCEDQXUUEXRP-UHFFFAOYSA-N 1 3 382.017 3.911 20 0 GHADHO CC(=O)c1nc(CCN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)[nH]c1C ZINC001307884773 1049665702 /nfs/dbraw/zinc/66/57/02/1049665702.db2.gz CRPWQODOLKEDKR-UHFFFAOYSA-N 1 3 394.563 3.841 20 0 GHADHO O=C(Nc1ccccn1)[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001308036834 1049787350 /nfs/dbraw/zinc/78/73/50/1049787350.db2.gz UXNLINNPXXLJAY-JOCHJYFZSA-N 1 3 392.547 3.918 20 0 GHADHO Cc1ccccc1C(=O)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC001308294915 1049940666 /nfs/dbraw/zinc/94/06/66/1049940666.db2.gz GLDLDSNEQARYEC-UHFFFAOYSA-N 1 3 383.580 3.986 20 0 GHADHO Cc1cccc(C(=O)N2CCC([NH2+][C@@H](C)[C@@H]3CCCN(C4CCC4)C3)CC2)c1 ZINC001308681420 1050057668 /nfs/dbraw/zinc/05/76/68/1050057668.db2.gz QZBFFVHDORCWGO-PZJWPPBQSA-N 1 3 383.580 3.842 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CN1Cc1ccccc1 ZINC001311436181 1052145706 /nfs/dbraw/zinc/14/57/06/1052145706.db2.gz KWIDUPFJMNEXPR-CTNGQTDRSA-N 1 3 386.584 3.603 20 0 GHADHO CC1CCC([NH+]2CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC2)CC1 ZINC001311564807 1052248903 /nfs/dbraw/zinc/24/89/03/1052248903.db2.gz SYBRDDOZDQLRDT-GTMAMOSYSA-N 1 3 398.595 3.557 20 0 GHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001312659626 1052828922 /nfs/dbraw/zinc/82/89/22/1052828922.db2.gz KOWPNNVXEYUHEB-FPOVZHCZSA-N 1 3 388.600 3.750 20 0 GHADHO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC001313316418 1053016170 /nfs/dbraw/zinc/01/61/70/1053016170.db2.gz RGUJRKDQNOJRJA-PXNSSMCTSA-N 1 3 394.991 3.676 20 0 GHADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001318505783 1054686228 /nfs/dbraw/zinc/68/62/28/1054686228.db2.gz ZQGCAGNXQSJHJD-QHCPKHFHSA-N 1 3 385.596 3.928 20 0 GHADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001318505783 1054686233 /nfs/dbraw/zinc/68/62/33/1054686233.db2.gz ZQGCAGNXQSJHJD-QHCPKHFHSA-N 1 3 385.596 3.928 20 0 GHADHO COc1ccc([C@@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)C(C)C)cc1 ZINC001319793708 1055471665 /nfs/dbraw/zinc/47/16/65/1055471665.db2.gz IIXIURLNPXRZDB-DEOSSOPVSA-N 1 3 381.564 3.930 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)c2)CC1 ZINC001321370067 1056237608 /nfs/dbraw/zinc/23/76/08/1056237608.db2.gz JRVKMVWIQOIRFZ-UPVQGACJSA-N 1 3 378.564 3.645 20 0 GHADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC001323193955 1056937416 /nfs/dbraw/zinc/93/74/16/1056937416.db2.gz UMOIUQYJTZVWQY-FUHWJXTLSA-N 1 3 390.572 3.797 20 0 GHADHO CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC001326298649 1057451451 /nfs/dbraw/zinc/45/14/51/1057451451.db2.gz KAKUNMSRUYISPE-WVUPVLJSSA-N 1 3 398.595 3.698 20 0 GHADHO CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC001326298649 1057451457 /nfs/dbraw/zinc/45/14/57/1057451457.db2.gz KAKUNMSRUYISPE-WVUPVLJSSA-N 1 3 398.595 3.698 20 0 GHADHO CC(C)CCNC(=[NH2+])NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000849057928 1057568158 /nfs/dbraw/zinc/56/81/58/1057568158.db2.gz CNUACVJTGBAPHB-UHFFFAOYSA-N 1 3 393.579 3.669 20 0 GHADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000849063757 1057573917 /nfs/dbraw/zinc/57/39/17/1057573917.db2.gz NWQYZUALMPQFAK-MRXNPFEDSA-N 1 3 391.972 3.870 20 0 GHADHO CN(CCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000849065161 1057576070 /nfs/dbraw/zinc/57/60/70/1057576070.db2.gz YJKAZLAZWYLBSU-UHFFFAOYSA-N 1 3 393.579 3.682 20 0 GHADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000849092594 1057591661 /nfs/dbraw/zinc/59/16/61/1057591661.db2.gz RZTCFYLETKWYNJ-OAHLLOKOSA-N 1 3 383.521 3.655 20 0 GHADHO C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC001440633711 1058551425 /nfs/dbraw/zinc/55/14/25/1058551425.db2.gz BJKGJBHORSLABL-SFTDATJTSA-N 1 3 385.596 3.710 20 0 GHADHO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC001440633711 1058551445 /nfs/dbraw/zinc/55/14/45/1058551445.db2.gz BJKGJBHORSLABL-SFTDATJTSA-N 1 3 385.596 3.710 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905718 1064265397 /nfs/dbraw/zinc/26/53/97/1064265397.db2.gz LPYAZWMUPSFIRC-ISKFKSNPSA-N 1 3 379.548 3.503 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905718 1064265404 /nfs/dbraw/zinc/26/54/04/1064265404.db2.gz LPYAZWMUPSFIRC-ISKFKSNPSA-N 1 3 379.548 3.503 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)CN(C)C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC001464503582 1065049826 /nfs/dbraw/zinc/04/98/26/1065049826.db2.gz ZZRDXWKYRWKWAP-GOSISDBHSA-N 1 3 385.474 3.689 20 0 GHADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001464637679 1065127921 /nfs/dbraw/zinc/12/79/21/1065127921.db2.gz REGFUNACMCLMAT-HNNXBMFYSA-N 1 3 387.490 3.762 20 0 GHADHO CN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001465743993 1065824608 /nfs/dbraw/zinc/82/46/08/1065824608.db2.gz AMJNEUJJNZARAY-DHIUTWEWSA-N 1 3 379.548 3.802 20 0 GHADHO CCC(CC)[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[NH+]1CCCC1 ZINC001467943979 1067540444 /nfs/dbraw/zinc/54/04/44/1067540444.db2.gz ULQVCZIXLPFEDK-OAQYLSRUSA-N 1 3 378.605 3.547 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001468173022 1067620159 /nfs/dbraw/zinc/62/01/59/1067620159.db2.gz APZAVLHBARMIPP-SQVLJLFZSA-N 1 3 386.584 3.632 20 0 GHADHO O=C(NCCCCCCC[NH+]1CCCC1)N1CCN(CC2CCCCC2)CC1 ZINC001469136906 1067991785 /nfs/dbraw/zinc/99/17/85/1067991785.db2.gz YXYWQARFFRXRIU-UHFFFAOYSA-N 1 3 392.632 3.940 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001477927052 1078631543 /nfs/dbraw/zinc/63/15/43/1078631543.db2.gz KJUPDIVNFPAKOO-YADHBBJMSA-N 1 3 386.584 3.777 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001477927052 1078631546 /nfs/dbraw/zinc/63/15/46/1078631546.db2.gz KJUPDIVNFPAKOO-YADHBBJMSA-N 1 3 386.584 3.777 20 0 GHADHO CCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC001478701442 1078960691 /nfs/dbraw/zinc/96/06/91/1078960691.db2.gz VRFPTUJFILUGLQ-IBGZPJMESA-N 1 3 392.613 3.527 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC001478744855 1078973961 /nfs/dbraw/zinc/97/39/61/1078973961.db2.gz RORVBBHWOOHDCZ-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H]1[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001478766704 1078979850 /nfs/dbraw/zinc/97/98/50/1078979850.db2.gz RTNADOGNROBZOC-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001478766704 1078979855 /nfs/dbraw/zinc/97/98/55/1078979855.db2.gz RTNADOGNROBZOC-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)cc1 ZINC001471315245 1073014863 /nfs/dbraw/zinc/01/48/63/1073014863.db2.gz PCDQUIRNBZTWRE-QHCPKHFHSA-N 1 3 377.532 3.595 20 0 GHADHO CC1(C)CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC(C)(C)[NH2+]1 ZINC001472410021 1073473046 /nfs/dbraw/zinc/47/30/46/1073473046.db2.gz WXFMACLWMVIPLD-GOSISDBHSA-N 1 3 393.522 3.523 20 0 GHADHO CN(C)C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001472607768 1073572992 /nfs/dbraw/zinc/57/29/92/1073572992.db2.gz BTMBODNLCGGYIC-IBGZPJMESA-N 1 3 393.453 3.800 20 0 GHADHO Cc1cc(Br)cn2c(CNCc3cccc(C[NH+](C)C)c3)cnc12 ZINC001473928534 1074207064 /nfs/dbraw/zinc/20/70/64/1074207064.db2.gz RNHWDQWFHUHFRL-UHFFFAOYSA-N 1 3 387.325 3.757 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H](C4CCOCC4)C3)cc2)CC1 ZINC001473935668 1074210522 /nfs/dbraw/zinc/21/05/22/1074210522.db2.gz BULDUVXFXZECCG-DQEYMECFSA-N 1 3 399.623 3.899 20 0 GHADHO CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(OCC[NH+](C)C)cc3)ccc2NC1=O ZINC001474030969 1074242138 /nfs/dbraw/zinc/24/21/38/1074242138.db2.gz CXXWEYJMLKFMEJ-KKSFZXQISA-N 1 3 397.519 3.587 20 0 GHADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3nccn3C3CC3)cc2)C[C@@H]1C ZINC001474093179 1074260978 /nfs/dbraw/zinc/26/09/78/1074260978.db2.gz ZMOAIOAVVUXFSZ-OALUTQOASA-N 1 3 382.552 3.517 20 0 GHADHO CN1CCCC[C@H](C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474211575 1074294899 /nfs/dbraw/zinc/29/48/99/1074294899.db2.gz UFCGFLNLPNWJBG-LJQANCHMSA-N 1 3 387.568 3.801 20 0 GHADHO C[C@@H](CC[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1)N1CCCCC1 ZINC001474436826 1074406304 /nfs/dbraw/zinc/40/63/04/1074406304.db2.gz PHEQSOSOFDPRCX-FQEVSTJZSA-N 1 3 387.568 3.889 20 0 GHADHO CCN1CCN(c2cccc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC001474461766 1074416818 /nfs/dbraw/zinc/41/68/18/1074416818.db2.gz USOOWFWLFQLXAF-QHCPKHFHSA-N 1 3 378.564 3.905 20 0 GHADHO CCN1CCN(c2cccc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC001474461766 1074416821 /nfs/dbraw/zinc/41/68/21/1074416821.db2.gz USOOWFWLFQLXAF-QHCPKHFHSA-N 1 3 378.564 3.905 20 0 GHADHO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)[NH+](C)C ZINC001496633601 1079476628 /nfs/dbraw/zinc/47/66/28/1079476628.db2.gz YLNSKIBRZSPUFP-HBFSDRIKSA-N 1 3 392.636 3.687 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2coc3ccccc23)cc1 ZINC000121487260 837696051 /nfs/dbraw/zinc/69/60/51/837696051.db2.gz SOMZIFZJQMEKRT-UHFFFAOYSA-N 1 3 377.488 3.548 20 0 GHADHO CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772405 834677554 /nfs/dbraw/zinc/67/75/54/834677554.db2.gz MVOAUIGFECUSTK-JOCHJYFZSA-N 1 3 391.559 3.780 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723402 834702933 /nfs/dbraw/zinc/70/29/33/834702933.db2.gz NJPUDDDYPVSZJX-CEWLAPEOSA-N 1 3 388.943 3.695 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000728594378 834907396 /nfs/dbraw/zinc/90/73/96/834907396.db2.gz QDCMHTJLVMBXNO-RTWAWAEBSA-N 1 3 387.568 3.540 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000728594378 834907400 /nfs/dbraw/zinc/90/74/00/834907400.db2.gz QDCMHTJLVMBXNO-RTWAWAEBSA-N 1 3 387.568 3.540 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000728594378 834907407 /nfs/dbraw/zinc/90/74/07/834907407.db2.gz QDCMHTJLVMBXNO-RTWAWAEBSA-N 1 3 387.568 3.540 20 0 GHADHO CN(C)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757668 837830364 /nfs/dbraw/zinc/83/03/64/837830364.db2.gz WROIUNCNNKYPPR-WOJBJXKFSA-N 1 3 399.501 3.541 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(C(F)F)nc1 ZINC000658034078 835386830 /nfs/dbraw/zinc/38/68/30/835386830.db2.gz GFDSHQTYRVLRJJ-MRXNPFEDSA-N 1 3 375.463 3.697 20 0 GHADHO COc1ccc([C@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137096 835461373 /nfs/dbraw/zinc/46/13/73/835461373.db2.gz JZRBJOLZWKQXQH-WMZHIEFXSA-N 1 3 386.511 3.888 20 0 GHADHO COc1ccc([C@H](NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137096 835461375 /nfs/dbraw/zinc/46/13/75/835461375.db2.gz JZRBJOLZWKQXQH-WMZHIEFXSA-N 1 3 386.511 3.888 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139946 835464769 /nfs/dbraw/zinc/46/47/69/835464769.db2.gz OWVYWJXEHSXPNA-NQIIRXRSSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139946 835464774 /nfs/dbraw/zinc/46/47/74/835464774.db2.gz OWVYWJXEHSXPNA-NQIIRXRSSA-N 1 3 386.923 3.910 20 0 GHADHO COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166852 835481540 /nfs/dbraw/zinc/48/15/40/835481540.db2.gz QDJLYOCXPWPDCM-HSZRJFAPSA-N 1 3 385.527 3.670 20 0 GHADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168794 835482980 /nfs/dbraw/zinc/48/29/80/835482980.db2.gz YVGJFICTNXFUBK-LJQANCHMSA-N 1 3 394.563 3.863 20 0 GHADHO C[C@H](c1cccc(F)c1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179448714 835561400 /nfs/dbraw/zinc/56/14/00/835561400.db2.gz QZSPMBIPMLWBRU-GOSISDBHSA-N 1 3 375.532 3.591 20 0 GHADHO CCOCc1cc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000179653998 835725423 /nfs/dbraw/zinc/72/54/23/835725423.db2.gz FBZDXLHEEBBQDD-OALUTQOASA-N 1 3 390.568 3.553 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657836829 835808784 /nfs/dbraw/zinc/80/87/84/835808784.db2.gz PCAPWDPMWCUQLL-UONOGXRCSA-N 1 3 388.781 3.779 20 0 GHADHO Cn1c(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc2cc(F)ccc21 ZINC000180175952 836094969 /nfs/dbraw/zinc/09/49/69/836094969.db2.gz CNSXMHAZDJDBFW-SESVDKBCSA-N 1 3 392.522 3.755 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3ccc4c(c3)oc(=O)n4C)cc2)C1 ZINC000509895388 844146967 /nfs/dbraw/zinc/14/69/67/844146967.db2.gz ACINACHJLPOATR-KRWDZBQOSA-N 1 3 379.504 3.653 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc4c(c3)oc(=O)n4C)cc2)C1 ZINC000509895388 844146969 /nfs/dbraw/zinc/14/69/69/844146969.db2.gz ACINACHJLPOATR-KRWDZBQOSA-N 1 3 379.504 3.653 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413897408 836685025 /nfs/dbraw/zinc/68/50/25/836685025.db2.gz DQVHHNSSHDDBIV-UHFFFAOYSA-N 1 3 399.466 3.826 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000892584315 836771868 /nfs/dbraw/zinc/77/18/68/836771868.db2.gz IZUAAICEEOPHCF-MRXNPFEDSA-N 1 3 379.549 3.511 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000892584315 836771873 /nfs/dbraw/zinc/77/18/73/836771873.db2.gz IZUAAICEEOPHCF-MRXNPFEDSA-N 1 3 379.549 3.511 20 0 GHADHO OC1(C[NH2+][C@H]2CSCCc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000414306426 837005904 /nfs/dbraw/zinc/00/59/04/837005904.db2.gz OETVKLHRPGGJAZ-QFIPXVFZSA-N 1 3 382.573 3.634 20 0 GHADHO OC1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCN(Cc2ccccc2)CC1 ZINC000414306702 837007763 /nfs/dbraw/zinc/00/77/63/837007763.db2.gz OQCVLLPAAHLDNS-NRFANRHFSA-N 1 3 384.495 3.656 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423037460 837079221 /nfs/dbraw/zinc/07/92/21/837079221.db2.gz VZJYXGHXFPLGBC-LBPRGKRZSA-N 1 3 387.325 3.986 20 0 GHADHO COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCc1ccncc1 ZINC000892616152 837139391 /nfs/dbraw/zinc/13/93/91/837139391.db2.gz XWDKEQLHVRHGBL-BRIRTLKKSA-N 1 3 381.520 3.945 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377764311 837939687 /nfs/dbraw/zinc/93/96/87/837939687.db2.gz QWIRTNSPGYGRJY-FCHUYYIVSA-N 1 3 392.547 3.734 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377764311 837939692 /nfs/dbraw/zinc/93/96/92/837939692.db2.gz QWIRTNSPGYGRJY-FCHUYYIVSA-N 1 3 392.547 3.734 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579953558 838014824 /nfs/dbraw/zinc/01/48/24/838014824.db2.gz SAJRRKRYEWEKSL-RWMBFGLXSA-N 1 3 389.849 3.617 20 0 GHADHO CN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000275621072 838049964 /nfs/dbraw/zinc/04/99/64/838049964.db2.gz JKRQHGSNRGNEEO-OAQYLSRUSA-N 1 3 380.536 3.529 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000415909887 838266538 /nfs/dbraw/zinc/26/65/38/838266538.db2.gz UOKQXYRKWXUMBX-QFIPXVFZSA-N 1 3 380.536 3.924 20 0 GHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccnc(OCC[NH+](C)C)c1 ZINC000580004476 838307652 /nfs/dbraw/zinc/30/76/52/838307652.db2.gz RQBCFJPSBFKXSV-NRFANRHFSA-N 1 3 378.520 3.979 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccsc1 ZINC000659433836 838381816 /nfs/dbraw/zinc/38/18/16/838381816.db2.gz GPGYOYWWTFICGX-QUCCMNQESA-N 1 3 392.613 3.552 20 0 GHADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(-c2ccncc2)cc1 ZINC000537957412 838729309 /nfs/dbraw/zinc/72/93/09/838729309.db2.gz FIIQSQDXOFDTLE-SFHVURJKSA-N 1 3 376.504 3.935 20 0 GHADHO CN1CCCC[C@H]1CC[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000472684369 839125682 /nfs/dbraw/zinc/12/56/82/839125682.db2.gz IQOXTUNULASJNK-PXNSSMCTSA-N 1 3 375.944 3.962 20 0 GHADHO CC(=O)N1CC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccccc2C1 ZINC000378492159 839215175 /nfs/dbraw/zinc/21/51/75/839215175.db2.gz GGYXHWPSTGNSHF-XMMPIXPASA-N 1 3 377.532 3.866 20 0 GHADHO C[C@H](CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1cccc(Br)c1 ZINC000415114129 839224464 /nfs/dbraw/zinc/22/44/64/839224464.db2.gz VIENNTVWWWQFAZ-NIKGAXFTSA-N 1 3 381.358 3.771 20 0 GHADHO CCCCOc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415128922 839254961 /nfs/dbraw/zinc/25/49/61/839254961.db2.gz SSQXJLUURNEWQE-PZJWPPBQSA-N 1 3 376.541 3.592 20 0 GHADHO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000378563594 839338713 /nfs/dbraw/zinc/33/87/13/839338713.db2.gz SLRQXWLXHLQUHO-HKUYNNGSSA-N 1 3 385.939 3.570 20 0 GHADHO FC(F)(F)CN1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000312855517 839573979 /nfs/dbraw/zinc/57/39/79/839573979.db2.gz GXILCWZXTLZRNT-LJQANCHMSA-N 1 3 383.502 3.905 20 0 GHADHO C[N@H+](CCOc1cccc(CNCc2ccc3[nH]ccc3c2)c1)C1CCOCC1 ZINC000565217557 839923713 /nfs/dbraw/zinc/92/37/13/839923713.db2.gz MGDXRWDIYFVYPY-UHFFFAOYSA-N 1 3 393.531 3.947 20 0 GHADHO C[N@@H+](CCOc1cccc(CNCc2ccc3[nH]ccc3c2)c1)C1CCOCC1 ZINC000565217557 839923729 /nfs/dbraw/zinc/92/37/29/839923729.db2.gz MGDXRWDIYFVYPY-UHFFFAOYSA-N 1 3 393.531 3.947 20 0 GHADHO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000108929796 840301224 /nfs/dbraw/zinc/30/12/24/840301224.db2.gz UMANHUDNEXLIMI-IBGZPJMESA-N 1 3 398.595 3.555 20 0 GHADHO CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513127482 844533450 /nfs/dbraw/zinc/53/34/50/844533450.db2.gz IWLWDELZTZCFCN-XNMUZJSGSA-N 1 3 377.532 3.712 20 0 GHADHO CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513127482 844533456 /nfs/dbraw/zinc/53/34/56/844533456.db2.gz IWLWDELZTZCFCN-XNMUZJSGSA-N 1 3 377.532 3.712 20 0 GHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001167442909 840604694 /nfs/dbraw/zinc/60/46/94/840604694.db2.gz JLDKBRZNJSQTAL-YADHBBJMSA-N 1 3 379.633 3.852 20 0 GHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001167442909 840604698 /nfs/dbraw/zinc/60/46/98/840604698.db2.gz JLDKBRZNJSQTAL-YADHBBJMSA-N 1 3 379.633 3.852 20 0 GHADHO Cc1cccc(N2CC[NH+](CCCCNCc3nc4ccccc4n3C)CC2)c1 ZINC000066971317 842051585 /nfs/dbraw/zinc/05/15/85/842051585.db2.gz VHUUJFQYQNKNGY-UHFFFAOYSA-N 1 3 391.563 3.574 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3nc4ccccc4n3C)CC2)c1 ZINC000066971317 842051596 /nfs/dbraw/zinc/05/15/96/842051596.db2.gz VHUUJFQYQNKNGY-UHFFFAOYSA-N 1 3 391.563 3.574 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001167827037 842064584 /nfs/dbraw/zinc/06/45/84/842064584.db2.gz RRIVQMKRKWEIJC-VNYTWHDVSA-N 1 3 395.613 3.650 20 0 GHADHO Cc1cccc(CC2(O)CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)c1 ZINC000684423404 842218107 /nfs/dbraw/zinc/21/81/07/842218107.db2.gz HUXKRPYIAGIPSP-UHFFFAOYSA-N 1 3 382.548 3.505 20 0 GHADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(C)(C)CN(C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044691 842299873 /nfs/dbraw/zinc/29/98/73/842299873.db2.gz HANNKSMHTATDKQ-FUPPJEDESA-N 1 3 387.612 3.718 20 0 GHADHO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CC(C)(C)CN(C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044691 842299884 /nfs/dbraw/zinc/29/98/84/842299884.db2.gz HANNKSMHTATDKQ-FUPPJEDESA-N 1 3 387.612 3.718 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3sc(C)nc3CC(C)C)CC2)CC1 ZINC000580723779 861338018 /nfs/dbraw/zinc/33/80/18/861338018.db2.gz KESPAMJRMLNYFC-UHFFFAOYSA-N 1 3 392.613 3.785 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000178253606 861344928 /nfs/dbraw/zinc/34/49/28/861344928.db2.gz SVDYTAHHQDPEOD-AWEZNQCLSA-N 1 3 394.357 3.630 20 0 GHADHO [NH3+]CC[C@H]1CCCN(Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662272790 843042811 /nfs/dbraw/zinc/04/28/11/843042811.db2.gz QFWPPUDCTRAWHP-GFCCVEGCSA-N 1 3 395.263 3.951 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC001167492973 843059658 /nfs/dbraw/zinc/05/96/58/843059658.db2.gz VFKDREWPWLQVGI-RBZQAINGSA-N 1 3 393.575 3.982 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC001167492973 843059664 /nfs/dbraw/zinc/05/96/64/843059664.db2.gz VFKDREWPWLQVGI-RBZQAINGSA-N 1 3 393.575 3.982 20 0 GHADHO CC(C)C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[NH2+][C@@H](C)c1ccccc1 ZINC000662455560 843285503 /nfs/dbraw/zinc/28/55/03/843285503.db2.gz ZLTZFMRKAMPZBK-LPHOPBHVSA-N 1 3 385.577 3.889 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000673681847 861401997 /nfs/dbraw/zinc/40/19/97/861401997.db2.gz OMKQMKQCACUBGP-QHCPKHFHSA-N 1 3 386.499 3.594 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000673681847 861402004 /nfs/dbraw/zinc/40/20/04/861402004.db2.gz OMKQMKQCACUBGP-QHCPKHFHSA-N 1 3 386.499 3.594 20 0 GHADHO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431026067 843445076 /nfs/dbraw/zinc/44/50/76/843445076.db2.gz DCSBTZXFDVQXOW-NRFANRHFSA-N 1 3 383.580 3.723 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418684953 843532217 /nfs/dbraw/zinc/53/22/17/843532217.db2.gz YSOPKXFVLMBLKO-REWPJTCUSA-N 1 3 394.563 3.773 20 0 GHADHO CCCN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418770408 843618491 /nfs/dbraw/zinc/61/84/91/843618491.db2.gz OICNXBPCVNCBBK-FGZHOGPDSA-N 1 3 386.584 3.605 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001167821170 843693911 /nfs/dbraw/zinc/69/39/11/843693911.db2.gz CEVIWZBMZUNBOG-RLBLXZPPSA-N 1 3 391.600 3.701 20 0 GHADHO CCOc1c(Br)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000092253430 843728882 /nfs/dbraw/zinc/72/88/82/843728882.db2.gz OUOYLJCMZKGGJN-AWEZNQCLSA-N 1 3 385.346 3.630 20 0 GHADHO CCOc1c(Br)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000092253430 843728892 /nfs/dbraw/zinc/72/88/92/843728892.db2.gz OUOYLJCMZKGGJN-AWEZNQCLSA-N 1 3 385.346 3.630 20 0 GHADHO CCOc1c(Br)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000092253429 843728969 /nfs/dbraw/zinc/72/89/69/843728969.db2.gz OUOYLJCMZKGGJN-CQSZACIVSA-N 1 3 385.346 3.630 20 0 GHADHO CCOc1c(Br)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000092253429 843728984 /nfs/dbraw/zinc/72/89/84/843728984.db2.gz OUOYLJCMZKGGJN-CQSZACIVSA-N 1 3 385.346 3.630 20 0 GHADHO COc1cc(CN2CC[C@H](OC)C[C@@H]2C)cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000433193102 843805818 /nfs/dbraw/zinc/80/58/18/843805818.db2.gz ORCYWKUZOZCBLS-GPHNJDIKSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@H](OC)C[C@@H]2C)cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000433193102 843805830 /nfs/dbraw/zinc/80/58/30/843805830.db2.gz ORCYWKUZOZCBLS-GPHNJDIKSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@@H](OC)C[C@H]2C)cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000433193104 843806429 /nfs/dbraw/zinc/80/64/29/843806429.db2.gz ORCYWKUZOZCBLS-VVIORFSUSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@@H](OC)C[C@H]2C)cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000433193104 843806440 /nfs/dbraw/zinc/80/64/40/843806440.db2.gz ORCYWKUZOZCBLS-VVIORFSUSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@H](OC)C[C@@H]2C)cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c1 ZINC000433193104 843806454 /nfs/dbraw/zinc/80/64/54/843806454.db2.gz ORCYWKUZOZCBLS-VVIORFSUSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@H](OC)C[C@@H]2C)cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c1 ZINC000433193104 843806467 /nfs/dbraw/zinc/80/64/67/843806467.db2.gz ORCYWKUZOZCBLS-VVIORFSUSA-N 1 3 390.568 3.694 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000500719478 843882033 /nfs/dbraw/zinc/88/20/33/843882033.db2.gz ZYZTYQKEWIZYED-DENIHFKCSA-N 1 3 386.584 3.585 20 0 GHADHO CN1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[C@@H]1c1ccccc1 ZINC000536233661 843915161 /nfs/dbraw/zinc/91/51/61/843915161.db2.gz QLIDVWAGQDCTEA-PMVMPFDFSA-N 1 3 398.595 3.729 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000512646860 844875642 /nfs/dbraw/zinc/87/56/42/844875642.db2.gz DQMNMHZBIPTTAV-XNBWIAOKSA-N 1 3 383.580 3.524 20 0 GHADHO C[C@H](CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236651343 845158526 /nfs/dbraw/zinc/15/85/26/845158526.db2.gz FGIMXQKOTBQXPX-MJGOQNOKSA-N 1 3 377.598 3.663 20 0 GHADHO C[C@@H](NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000179395505 861562363 /nfs/dbraw/zinc/56/23/63/861562363.db2.gz DEDCOCHDPRRNFS-QGZVFWFLSA-N 1 3 386.565 3.559 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000411454342 845478987 /nfs/dbraw/zinc/47/89/87/845478987.db2.gz RVNXETWVZVFUSH-HXUWFJFHSA-N 1 3 377.548 3.882 20 0 GHADHO CCn1nc(CNCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000472048570 845587385 /nfs/dbraw/zinc/58/73/85/845587385.db2.gz RFOICFVLTCMJIT-KDURUIRLSA-N 1 3 392.547 3.955 20 0 GHADHO CCn1nc(CNCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000472048570 845587397 /nfs/dbraw/zinc/58/73/97/845587397.db2.gz RFOICFVLTCMJIT-KDURUIRLSA-N 1 3 392.547 3.955 20 0 GHADHO C[NH+]1CCC(NCCOc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000179524210 861617226 /nfs/dbraw/zinc/61/72/26/861617226.db2.gz SOKZXXOSOIKLPU-UHFFFAOYSA-N 1 3 381.236 3.531 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccsc1 ZINC000119824448 845977980 /nfs/dbraw/zinc/97/79/80/845977980.db2.gz HLVMIANFOQZBSW-FQEVSTJZSA-N 1 3 388.581 3.692 20 0 GHADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC1CC[NH+](C2CCCCC2)CC1 ZINC000157511342 845983006 /nfs/dbraw/zinc/98/30/06/845983006.db2.gz LBKHZCOCFVYHTG-OAHLLOKOSA-N 1 3 378.948 3.839 20 0 GHADHO C[C@@H](C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)CN1CCCCC1 ZINC000472150355 846209981 /nfs/dbraw/zinc/20/99/81/846209981.db2.gz BOJNRVQIFFMBAA-OALUTQOASA-N 1 3 385.552 3.553 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000502821977 846515661 /nfs/dbraw/zinc/51/56/61/846515661.db2.gz AOYIJGVEWPJNMK-RBBKRZOGSA-N 1 3 386.584 3.635 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000502821977 846515666 /nfs/dbraw/zinc/51/56/66/846515666.db2.gz AOYIJGVEWPJNMK-RBBKRZOGSA-N 1 3 386.584 3.635 20 0 GHADHO COc1cc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)ccc1OC(C)C ZINC000501027142 846562407 /nfs/dbraw/zinc/56/24/07/846562407.db2.gz DIJPPHHLIPVLKJ-LJQANCHMSA-N 1 3 377.573 3.549 20 0 GHADHO CN(Cc1nc2cc(Cl)ccc2n1C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501039789 846563654 /nfs/dbraw/zinc/56/36/54/846563654.db2.gz NSIHUKPXOIVINQ-UHFFFAOYSA-N 1 3 383.927 3.970 20 0 GHADHO Cc1ccc([C@H](C)NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501049381 846577057 /nfs/dbraw/zinc/57/70/57/846577057.db2.gz YQOKNYUIQWXZDK-FQEVSTJZSA-N 1 3 394.563 3.724 20 0 GHADHO CSc1ccc(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501067658 846599136 /nfs/dbraw/zinc/59/91/36/846599136.db2.gz IKTOCQRXCWBIHA-KRWDZBQOSA-N 1 3 398.576 3.979 20 0 GHADHO OC1(C[NH2+]Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccc2)CC1 ZINC000414556305 846621582 /nfs/dbraw/zinc/62/15/82/846621582.db2.gz YEZDTGKHCHHDSR-UHFFFAOYSA-N 1 3 387.527 3.865 20 0 GHADHO CC[C@H](C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000502998884 846698303 /nfs/dbraw/zinc/69/83/03/846698303.db2.gz UACDQBHCAXQWCE-OAQYLSRUSA-N 1 3 379.548 3.796 20 0 GHADHO Cc1cc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000582299877 846819364 /nfs/dbraw/zinc/81/93/64/846819364.db2.gz MDJRFCMANIKFIH-HSZRJFAPSA-N 1 3 394.563 3.944 20 0 GHADHO CN1C[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](c2ccccc2)C1 ZINC000647249399 846956606 /nfs/dbraw/zinc/95/66/06/846956606.db2.gz XOEWZLBPSWATJW-GGAORHGYSA-N 1 3 378.495 3.506 20 0 GHADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@H](c1cccs1)c1ccccc1 ZINC000420378702 847147671 /nfs/dbraw/zinc/14/76/71/847147671.db2.gz BKXTXUJPXUOMTA-VIZSFHNOSA-N 1 3 397.588 3.808 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000657429739 847244073 /nfs/dbraw/zinc/24/40/73/847244073.db2.gz KAFPPSVIBVRJCC-APTRMMRNSA-N 1 3 380.532 3.855 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000502158448 847562227 /nfs/dbraw/zinc/56/22/27/847562227.db2.gz POESXWSECYAZPU-FMWKFLBASA-N 1 3 398.551 3.529 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000502158448 847562231 /nfs/dbraw/zinc/56/22/31/847562231.db2.gz POESXWSECYAZPU-FMWKFLBASA-N 1 3 398.551 3.529 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000420982001 847587602 /nfs/dbraw/zinc/58/76/02/847587602.db2.gz NZJNRSLIAHLYIN-UHFFFAOYSA-N 1 3 384.593 3.802 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000420982001 847587608 /nfs/dbraw/zinc/58/76/08/847587608.db2.gz NZJNRSLIAHLYIN-UHFFFAOYSA-N 1 3 384.593 3.802 20 0 GHADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000611626146 847664729 /nfs/dbraw/zinc/66/47/29/847664729.db2.gz ZMVZFHTUQLPVAV-HSZRJFAPSA-N 1 3 394.563 3.515 20 0 GHADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000611626146 847664731 /nfs/dbraw/zinc/66/47/31/847664731.db2.gz ZMVZFHTUQLPVAV-HSZRJFAPSA-N 1 3 394.563 3.515 20 0 GHADHO Brc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422703663 847775158 /nfs/dbraw/zinc/77/51/58/847775158.db2.gz IHOCCLLIZTYLFN-BURFUSLBSA-N 1 3 378.358 3.538 20 0 GHADHO C[C@@H](CCC[NH3+])N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422797294 847827924 /nfs/dbraw/zinc/82/79/24/847827924.db2.gz LWADSKQVCPJFLN-IFXJQAMLSA-N 1 3 380.941 3.550 20 0 GHADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000422811811 847835445 /nfs/dbraw/zinc/83/54/45/847835445.db2.gz PNRODOPTPAJDBA-JZOVEWSMSA-N 1 3 385.596 3.696 20 0 GHADHO COc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OCC(F)(F)F ZINC000422833856 847845215 /nfs/dbraw/zinc/84/52/15/847845215.db2.gz WSFRICALFJIVPI-LBPRGKRZSA-N 1 3 383.414 3.649 20 0 GHADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccc(CN)nc2C)CC1)c1ccccc1 ZINC000422839891 847849582 /nfs/dbraw/zinc/84/95/82/847849582.db2.gz ANRHUEPJPRIFNQ-HTAPYJJXSA-N 1 3 394.563 3.684 20 0 GHADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1C(F)(F)F ZINC000422919413 847902869 /nfs/dbraw/zinc/90/28/69/847902869.db2.gz JUTUQSTZSWWPIW-CYGHRXIMSA-N 1 3 386.458 3.610 20 0 GHADHO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612649 848338905 /nfs/dbraw/zinc/33/89/05/848338905.db2.gz CDIYPJFBZJIRIP-UHFFFAOYSA-N 1 3 389.547 3.886 20 0 GHADHO C[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000604170998 861923578 /nfs/dbraw/zinc/92/35/78/861923578.db2.gz HVKIGDZJZLEGCJ-SJBKTWHCSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000604170998 861923592 /nfs/dbraw/zinc/92/35/92/861923592.db2.gz HVKIGDZJZLEGCJ-SJBKTWHCSA-N 1 3 386.584 3.776 20 0 GHADHO N[C@@H](CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000237883838 848769968 /nfs/dbraw/zinc/76/99/68/848769968.db2.gz VTSALQSVLCGYFF-DEOSSOPVSA-N 1 3 393.575 3.928 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000604205737 861945690 /nfs/dbraw/zinc/94/56/90/861945690.db2.gz KOHMFANPRKNWPQ-QHCPKHFHSA-N 1 3 398.595 3.731 20 0 GHADHO CN(C)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000156368323 849887289 /nfs/dbraw/zinc/88/72/89/849887289.db2.gz UHMCZIOYJAQVJL-NOTZXAQLSA-N 1 3 377.532 3.674 20 0 GHADHO CN(C)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000156368323 849887300 /nfs/dbraw/zinc/88/73/00/849887300.db2.gz UHMCZIOYJAQVJL-NOTZXAQLSA-N 1 3 377.532 3.674 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000486912462 850229051 /nfs/dbraw/zinc/22/90/51/850229051.db2.gz UPJBIGJQIITCFL-TZIWHRDSSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000486912462 850229057 /nfs/dbraw/zinc/22/90/57/850229057.db2.gz UPJBIGJQIITCFL-TZIWHRDSSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000424301523 850343070 /nfs/dbraw/zinc/34/30/70/850343070.db2.gz XMWKLPNMJSUUOF-ZIAGYGMSSA-N 1 3 384.351 3.635 20 0 GHADHO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000514831579 850363854 /nfs/dbraw/zinc/36/38/54/850363854.db2.gz DHHCQUHWGJDTKJ-HFRUMSELSA-N 1 3 393.522 3.649 20 0 GHADHO C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000514831579 850363867 /nfs/dbraw/zinc/36/38/67/850363867.db2.gz DHHCQUHWGJDTKJ-HFRUMSELSA-N 1 3 393.522 3.649 20 0 GHADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC(OCCC[NH3+])CC1 ZINC000435376175 850425060 /nfs/dbraw/zinc/42/50/60/850425060.db2.gz YOYIHTHUDNOBMN-UHFFFAOYSA-N 1 3 390.959 3.531 20 0 GHADHO COCCOc1cccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435433279 850491432 /nfs/dbraw/zinc/49/14/32/850491432.db2.gz QVKZWOIGFSCBFR-NRFANRHFSA-N 1 3 386.561 3.918 20 0 GHADHO O=C(c1ccccc1Cl)N1CCC([NH2+]CCNC2CCCCCC2)CC1 ZINC000414815521 850706512 /nfs/dbraw/zinc/70/65/12/850706512.db2.gz UMHOFHUHZBLNEM-UHFFFAOYSA-N 1 3 377.960 3.847 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000440086481 850776298 /nfs/dbraw/zinc/77/62/98/850776298.db2.gz HAIYCXMIOOKRCQ-UHFFFAOYSA-N 1 3 388.600 3.933 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000440086481 850776302 /nfs/dbraw/zinc/77/63/02/850776302.db2.gz HAIYCXMIOOKRCQ-UHFFFAOYSA-N 1 3 388.600 3.933 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCc4ccccc4C3)nc2)[C@@H]2CCC[C@@H]21 ZINC000514103270 851240355 /nfs/dbraw/zinc/24/03/55/851240355.db2.gz AZLQOQIWLRPZHP-VABKMULXSA-N 1 3 376.548 3.607 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(N3CCc4ccccc4C3)nc2)[C@@H]2CCC[C@@H]21 ZINC000514103270 851240362 /nfs/dbraw/zinc/24/03/62/851240362.db2.gz AZLQOQIWLRPZHP-VABKMULXSA-N 1 3 376.548 3.607 20 0 GHADHO CC(C)C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167969488 851378711 /nfs/dbraw/zinc/37/87/11/851378711.db2.gz CZLLLRDYSMGYQG-YGFFAISXSA-N 1 3 379.589 3.921 20 0 GHADHO CC(C)C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167969488 851378719 /nfs/dbraw/zinc/37/87/19/851378719.db2.gz CZLLLRDYSMGYQG-YGFFAISXSA-N 1 3 379.589 3.921 20 0 GHADHO c1ccc2c(c1)ncnc2N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167977218 851914354 /nfs/dbraw/zinc/91/43/54/851914354.db2.gz AOAGVZHMTMKQQG-UDEWTMQYSA-N 1 3 391.563 3.594 20 0 GHADHO c1ccc2c(c1)ncnc2N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167977218 851914367 /nfs/dbraw/zinc/91/43/67/851914367.db2.gz AOAGVZHMTMKQQG-UDEWTMQYSA-N 1 3 391.563 3.594 20 0 GHADHO CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167982021 852023144 /nfs/dbraw/zinc/02/31/44/852023144.db2.gz TWLBZRCIQUIPOQ-OTYNDTSQSA-N 1 3 391.600 3.873 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](CCCOCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000426810444 852421502 /nfs/dbraw/zinc/42/15/02/852421502.db2.gz ZORKBODBJFGZEZ-SZPZYZBQSA-N 1 3 388.596 3.847 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000506311253 852686024 /nfs/dbraw/zinc/68/60/24/852686024.db2.gz VQXIVTFUJNNMMC-GHTZIAJQSA-N 1 3 396.535 3.584 20 0 GHADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)([NH+](C)C)C1 ZINC000516560915 852724807 /nfs/dbraw/zinc/72/48/07/852724807.db2.gz LYDQQRKSTSKMDE-LQWHRVPQSA-N 1 3 392.613 3.695 20 0 GHADHO COc1cccc(C(=O)C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)c1 ZINC001167985029 852733808 /nfs/dbraw/zinc/73/38/08/852733808.db2.gz SJVGFQJIVWBNHH-CBQGHPETSA-N 1 3 382.548 3.995 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000516579425 852747937 /nfs/dbraw/zinc/74/79/37/852747937.db2.gz WTEPHPLWEFAVIC-KNQAVFIVSA-N 1 3 386.584 3.585 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414947215 852803903 /nfs/dbraw/zinc/80/39/03/852803903.db2.gz VRGFHZQQIRXZSG-UEKVPHQBSA-N 1 3 377.838 3.664 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414947215 852803916 /nfs/dbraw/zinc/80/39/16/852803916.db2.gz VRGFHZQQIRXZSG-UEKVPHQBSA-N 1 3 377.838 3.664 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccc(F)cc3)C(C)C)CC2)CC1 ZINC000519647091 853354918 /nfs/dbraw/zinc/35/49/18/853354918.db2.gz MGUQKRVNZHWECM-UHFFFAOYSA-N 1 3 389.559 3.759 20 0 GHADHO COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414991798 853479678 /nfs/dbraw/zinc/47/96/78/853479678.db2.gz BEBVOAUSQMVYLL-WWPVKYPJSA-N 1 3 388.502 3.895 20 0 GHADHO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](C4CCN(CC5CC5)CC4)C[C@H]3O2)n1 ZINC001168378004 853718009 /nfs/dbraw/zinc/71/80/09/853718009.db2.gz JJIUUOQZQMZAFD-YUXAGFNASA-N 1 3 384.568 3.626 20 0 GHADHO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](C4CCN(CC5CC5)CC4)C[C@H]3O2)n1 ZINC001168378004 853718016 /nfs/dbraw/zinc/71/80/16/853718016.db2.gz JJIUUOQZQMZAFD-YUXAGFNASA-N 1 3 384.568 3.626 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccccc3OC)cc2)CC1 ZINC000520203040 853952143 /nfs/dbraw/zinc/95/21/43/853952143.db2.gz BGJMWSFNTKHLKX-SOFGYWHQSA-N 1 3 379.548 3.636 20 0 GHADHO CC(C)OC(=O)c1ccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000441148408 853960817 /nfs/dbraw/zinc/96/08/17/853960817.db2.gz TXABJVRHZWMHIP-KDURUIRLSA-N 1 3 388.552 3.573 20 0 GHADHO CC(C)OC(=O)c1ccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000441148408 853960822 /nfs/dbraw/zinc/96/08/22/853960822.db2.gz TXABJVRHZWMHIP-KDURUIRLSA-N 1 3 388.552 3.573 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)N2CCCC2)cc1 ZINC000520298849 854059128 /nfs/dbraw/zinc/05/91/28/854059128.db2.gz QRWPDZJRGUZJCQ-QHCPKHFHSA-N 1 3 398.595 3.792 20 0 GHADHO CC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994277 854436642 /nfs/dbraw/zinc/43/66/42/854436642.db2.gz BCLDKJJSHNWABN-BMHONFFRSA-N 1 3 377.573 3.723 20 0 GHADHO CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994277 854436647 /nfs/dbraw/zinc/43/66/47/854436647.db2.gz BCLDKJJSHNWABN-BMHONFFRSA-N 1 3 377.573 3.723 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000589476899 854899646 /nfs/dbraw/zinc/89/96/46/854899646.db2.gz GXWKTOHFVWXCHI-UHFFFAOYSA-N 1 3 399.623 3.982 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccc(F)cc2s1 ZINC000624650396 854990800 /nfs/dbraw/zinc/99/08/00/854990800.db2.gz ZHURGNMMVLGBTL-KRWDZBQOSA-N 1 3 377.529 3.529 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000482016038 862631500 /nfs/dbraw/zinc/63/15/00/862631500.db2.gz MRFUOGZOYOFXRZ-LPHOPBHVSA-N 1 3 395.975 3.704 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000482016038 862631511 /nfs/dbraw/zinc/63/15/11/862631511.db2.gz MRFUOGZOYOFXRZ-LPHOPBHVSA-N 1 3 395.975 3.704 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)Cc3ccc(C)cc3)CC2)CC1 ZINC000655150013 855113939 /nfs/dbraw/zinc/11/39/39/855113939.db2.gz MJBAEFGFVAUHRZ-UHFFFAOYSA-N 1 3 385.596 3.629 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4ccccc4Cl)CC3)CC2)CC1 ZINC000655156501 855127848 /nfs/dbraw/zinc/12/78/48/855127848.db2.gz GHNKKUNHWLBJSL-UHFFFAOYSA-N 1 3 389.971 3.642 20 0 GHADHO CSc1ccc(OCC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000441475504 855176943 /nfs/dbraw/zinc/17/69/43/855176943.db2.gz QBRJCUBDUXPGTQ-QZTJIDSGSA-N 1 3 378.582 3.609 20 0 GHADHO C[C@@H](CN1CCCCC1)NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591430747 855975067 /nfs/dbraw/zinc/97/50/67/855975067.db2.gz RTYUDWJVGNGTRM-VQTJNVASSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H](CN1CCCCC1)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591430747 855975076 /nfs/dbraw/zinc/97/50/76/855975076.db2.gz RTYUDWJVGNGTRM-VQTJNVASSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000303018458 856002080 /nfs/dbraw/zinc/00/20/80/856002080.db2.gz YWHQOGSCLYKVSC-PMACEKPBSA-N 1 3 380.621 3.508 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000303018457 856002529 /nfs/dbraw/zinc/00/25/29/856002529.db2.gz YWHQOGSCLYKVSC-BGYRXZFFSA-N 1 3 380.621 3.508 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000303018457 856002535 /nfs/dbraw/zinc/00/25/35/856002535.db2.gz YWHQOGSCLYKVSC-BGYRXZFFSA-N 1 3 380.621 3.508 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000499507510 857051250 /nfs/dbraw/zinc/05/12/50/857051250.db2.gz JMXNVOPMMIXSDP-KRWDZBQOSA-N 1 3 387.499 3.574 20 0 GHADHO C[N@@H+]1CCCC[C@H]1CN1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000508258851 857112869 /nfs/dbraw/zinc/11/28/69/857112869.db2.gz VYELKEMYLXBSCN-DEOSSOPVSA-N 1 3 377.576 3.920 20 0 GHADHO C[N@H+]1CCCC[C@H]1CN1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000508258851 857112880 /nfs/dbraw/zinc/11/28/80/857112880.db2.gz VYELKEMYLXBSCN-DEOSSOPVSA-N 1 3 377.576 3.920 20 0 GHADHO COc1cc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1SC(F)F ZINC000282192041 857210769 /nfs/dbraw/zinc/21/07/69/857210769.db2.gz GHYJHVILMNLWHH-CQSZACIVSA-N 1 3 387.540 3.687 20 0 GHADHO CN(C)CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000058296890 857280335 /nfs/dbraw/zinc/28/03/35/857280335.db2.gz PXQVWTHGDFSBNX-HXUWFJFHSA-N 1 3 383.511 3.633 20 0 GHADHO CN(C)CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000058296890 857280359 /nfs/dbraw/zinc/28/03/59/857280359.db2.gz PXQVWTHGDFSBNX-HXUWFJFHSA-N 1 3 383.511 3.633 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520950599 857428904 /nfs/dbraw/zinc/42/89/04/857428904.db2.gz HZKVGXMRAZRYCE-UHFFFAOYSA-N 1 3 381.520 3.608 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000486233000 857574626 /nfs/dbraw/zinc/57/46/26/857574626.db2.gz UWJLKMFAUYIVHN-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000486233000 857574633 /nfs/dbraw/zinc/57/46/33/857574633.db2.gz UWJLKMFAUYIVHN-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)N2CCCC2)cc1 ZINC000064237711 857688754 /nfs/dbraw/zinc/68/87/54/857688754.db2.gz DIXSWKJMXKLMNH-HXUWFJFHSA-N 1 3 386.584 3.740 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000367043248 858511973 /nfs/dbraw/zinc/51/19/73/858511973.db2.gz OMAZHHMUHQEIGB-GOSISDBHSA-N 1 3 388.531 3.562 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000367043248 858511978 /nfs/dbraw/zinc/51/19/78/858511978.db2.gz OMAZHHMUHQEIGB-GOSISDBHSA-N 1 3 388.531 3.562 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000482643390 858718059 /nfs/dbraw/zinc/71/80/59/858718059.db2.gz RVUAQCJZBCDNND-GGAORHGYSA-N 1 3 395.547 3.633 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000482643390 858718065 /nfs/dbraw/zinc/71/80/65/858718065.db2.gz RVUAQCJZBCDNND-GGAORHGYSA-N 1 3 395.547 3.633 20 0 GHADHO CCN(Cc1ccc2c(c1)CCC(=O)N2C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187073170 858983201 /nfs/dbraw/zinc/98/32/01/858983201.db2.gz CGDNDBVDBCFKPA-QFIPXVFZSA-N 1 3 391.559 3.940 20 0 GHADHO CCN(Cc1ccc2c(c1)CCC(=O)N2C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187073170 858983207 /nfs/dbraw/zinc/98/32/07/858983207.db2.gz CGDNDBVDBCFKPA-QFIPXVFZSA-N 1 3 391.559 3.940 20 0 GHADHO Fc1ccc2c(c1)[C@H](N1CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942657 858998263 /nfs/dbraw/zinc/99/82/63/858998263.db2.gz FCUOQCUGYCDFPA-WMZHIEFXSA-N 1 3 394.538 3.742 20 0 GHADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443604635 859033419 /nfs/dbraw/zinc/03/34/19/859033419.db2.gz LOLGFUCFPANRBO-LJQANCHMSA-N 1 3 389.559 3.761 20 0 GHADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000185038947 859034084 /nfs/dbraw/zinc/03/40/84/859034084.db2.gz YYQODHZLLBCCIF-HSALFYBXSA-N 1 3 380.598 3.505 20 0 GHADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000185038947 859034089 /nfs/dbraw/zinc/03/40/89/859034089.db2.gz YYQODHZLLBCCIF-HSALFYBXSA-N 1 3 380.598 3.505 20 0 GHADHO C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000483058776 859100827 /nfs/dbraw/zinc/10/08/27/859100827.db2.gz QTXULXUIWRBNSY-NRFANRHFSA-N 1 3 393.575 3.925 20 0 GHADHO CC[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000483712135 859568687 /nfs/dbraw/zinc/56/86/87/859568687.db2.gz LYWGLDQBQMIVCI-QFIPXVFZSA-N 1 3 398.595 3.530 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccsc1 ZINC000483728050 859582985 /nfs/dbraw/zinc/58/29/85/859582985.db2.gz OQYVSBXAJGSYCM-YTQUADARSA-N 1 3 380.602 3.645 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccsc1 ZINC000483728050 859582992 /nfs/dbraw/zinc/58/29/92/859582992.db2.gz OQYVSBXAJGSYCM-YTQUADARSA-N 1 3 380.602 3.645 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)C2)ccn1 ZINC000856559552 881438784 /nfs/dbraw/zinc/43/87/84/881438784.db2.gz PSOVVCAEGQXEQB-HXUWFJFHSA-N 1 3 395.507 3.558 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)C2)ccn1 ZINC000856559552 881438792 /nfs/dbraw/zinc/43/87/92/881438792.db2.gz PSOVVCAEGQXEQB-HXUWFJFHSA-N 1 3 395.507 3.558 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(CC3=Cc4ccccc4OC3)C2)ccn1 ZINC000856561319 881442556 /nfs/dbraw/zinc/44/25/56/881442556.db2.gz SXMGIJKRGKROLU-QHCPKHFHSA-N 1 3 393.531 3.851 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(CC3=Cc4ccccc4OC3)C2)ccn1 ZINC000856561319 881442557 /nfs/dbraw/zinc/44/25/57/881442557.db2.gz SXMGIJKRGKROLU-QHCPKHFHSA-N 1 3 393.531 3.851 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(OCC[NH+](C)C)c1 ZINC000765033030 859741054 /nfs/dbraw/zinc/74/10/54/859741054.db2.gz GBKHUCUQUREZRW-SJORKVTESA-N 1 3 381.520 3.924 20 0 GHADHO COCC[NH+]1CCC(N[C@@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657849196 860036680 /nfs/dbraw/zinc/03/66/80/860036680.db2.gz GNSLAXYUULPXPR-LBPRGKRZSA-N 1 3 375.738 3.864 20 0 GHADHO C[C@H]1CC(N[C@H]2CCN(Cc3cccnc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036145 860230659 /nfs/dbraw/zinc/23/06/59/860230659.db2.gz UEBNTLQHGWEBAH-JTAQYXEDSA-N 1 3 378.564 3.687 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000484717684 860285430 /nfs/dbraw/zinc/28/54/30/860285430.db2.gz YSANPOWYNJXFEK-WTNAPCKOSA-N 1 3 398.526 3.563 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000484717684 860285433 /nfs/dbraw/zinc/28/54/33/860285433.db2.gz YSANPOWYNJXFEK-WTNAPCKOSA-N 1 3 398.526 3.563 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000904515090 860486052 /nfs/dbraw/zinc/48/60/52/860486052.db2.gz IDXSSDSSHAXWAW-UNWVZKJWSA-N 1 3 390.531 3.712 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000904515090 860486055 /nfs/dbraw/zinc/48/60/55/860486055.db2.gz IDXSSDSSHAXWAW-UNWVZKJWSA-N 1 3 390.531 3.712 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1(C)C ZINC000623387540 860979433 /nfs/dbraw/zinc/97/94/33/860979433.db2.gz HWEVCQYTRBCALE-OALUTQOASA-N 1 3 399.501 3.541 20 0 GHADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623418599 861036361 /nfs/dbraw/zinc/03/63/61/861036361.db2.gz WXWWMYDKWVJTGL-HNNXBMFYSA-N 1 3 382.346 3.549 20 0 GHADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623418599 861036388 /nfs/dbraw/zinc/03/63/88/861036388.db2.gz WXWWMYDKWVJTGL-HNNXBMFYSA-N 1 3 382.346 3.549 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000182269080 863170495 /nfs/dbraw/zinc/17/04/95/863170495.db2.gz MRPJVZHCUBNISW-GHTZIAJQSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000182269080 863170502 /nfs/dbraw/zinc/17/05/02/863170502.db2.gz MRPJVZHCUBNISW-GHTZIAJQSA-N 1 3 386.923 3.910 20 0 GHADHO C[N@H+](Cc1ccccc1CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O)C1CCCCC1 ZINC000182534440 863267627 /nfs/dbraw/zinc/26/76/27/863267627.db2.gz JODKQSKDGSSKKM-YADHBBJMSA-N 1 3 392.609 3.897 20 0 GHADHO C[N@@H+](Cc1ccccc1CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O)C1CCCCC1 ZINC000182534440 863267639 /nfs/dbraw/zinc/26/76/39/863267639.db2.gz JODKQSKDGSSKKM-YADHBBJMSA-N 1 3 392.609 3.897 20 0 GHADHO C[C@H]1CN(c2ccccc2CNCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000557059137 881677382 /nfs/dbraw/zinc/67/73/82/881677382.db2.gz BHDLZNUQHNJJEH-FQEVSTJZSA-N 1 3 379.548 3.797 20 0 GHADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000158581508 863880553 /nfs/dbraw/zinc/88/05/53/863880553.db2.gz XFANGCDJWXMKIY-BBWFWOEESA-N 1 3 384.561 3.638 20 0 GHADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000158581508 863880567 /nfs/dbraw/zinc/88/05/67/863880567.db2.gz XFANGCDJWXMKIY-BBWFWOEESA-N 1 3 384.561 3.638 20 0 GHADHO CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475091455 864138885 /nfs/dbraw/zinc/13/88/85/864138885.db2.gz BMUQHKXZEWEGQK-QFIPXVFZSA-N 1 3 386.584 3.559 20 0 GHADHO CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159215810 864423166 /nfs/dbraw/zinc/42/31/66/864423166.db2.gz VWPAWTZZDFGFHK-HSZRJFAPSA-N 1 3 394.563 3.554 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000523203072 866853994 /nfs/dbraw/zinc/85/39/94/866853994.db2.gz JMLJDXHEUQHCPU-SFHLNBCPSA-N 1 3 386.584 3.632 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000523203072 866854005 /nfs/dbraw/zinc/85/40/05/866854005.db2.gz JMLJDXHEUQHCPU-SFHLNBCPSA-N 1 3 386.584 3.632 20 0 GHADHO CN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000857153240 882060953 /nfs/dbraw/zinc/06/09/53/882060953.db2.gz UTNCMRWHDHQOTN-RPWUZVMVSA-N 1 3 391.559 3.842 20 0 GHADHO CN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000857153240 882060971 /nfs/dbraw/zinc/06/09/71/882060971.db2.gz UTNCMRWHDHQOTN-RPWUZVMVSA-N 1 3 391.559 3.842 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000154222229 867307662 /nfs/dbraw/zinc/30/76/62/867307662.db2.gz GCLJBVRYVBSOCJ-QGZVFWFLSA-N 1 3 389.975 3.512 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000479465753 867811334 /nfs/dbraw/zinc/81/13/34/867811334.db2.gz PLQSTKSFEBJEOD-UMXIMWEHSA-N 1 3 393.575 3.560 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000479465753 867811355 /nfs/dbraw/zinc/81/13/55/867811355.db2.gz PLQSTKSFEBJEOD-UMXIMWEHSA-N 1 3 393.575 3.560 20 0 GHADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479513903 867935860 /nfs/dbraw/zinc/93/58/60/867935860.db2.gz NVXWWLSZMKRYHS-LZQXYRQZSA-N 1 3 389.543 3.703 20 0 GHADHO Cc1cc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)s1 ZINC000156894403 868494712 /nfs/dbraw/zinc/49/47/12/868494712.db2.gz USQFYCWXDWXNEA-JXFKEZNVSA-N 1 3 385.577 3.913 20 0 GHADHO Cc1cc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)s1 ZINC000156894403 868494725 /nfs/dbraw/zinc/49/47/25/868494725.db2.gz USQFYCWXDWXNEA-JXFKEZNVSA-N 1 3 385.577 3.913 20 0 GHADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043231 870291171 /nfs/dbraw/zinc/29/11/71/870291171.db2.gz SBRWQNRADNEVIJ-KNKQGSTJSA-N 1 3 386.584 3.703 20 0 GHADHO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000122082927 882394110 /nfs/dbraw/zinc/39/41/10/882394110.db2.gz QFIITOFRCMNMEL-JOCHJYFZSA-N 1 3 394.563 3.960 20 0 GHADHO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)o1 ZINC000538723923 870519625 /nfs/dbraw/zinc/51/96/25/870519625.db2.gz GWJJZERGUBFVDD-XMSQKQJNSA-N 1 3 385.527 3.852 20 0 GHADHO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)o1 ZINC000538723923 870519636 /nfs/dbraw/zinc/51/96/36/870519636.db2.gz GWJJZERGUBFVDD-XMSQKQJNSA-N 1 3 385.527 3.852 20 0 GHADHO Cc1nn(-c2ccccc2)cc1CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538762412 870601534 /nfs/dbraw/zinc/60/15/34/870601534.db2.gz OJWYRRIJULILEQ-WOJBJXKFSA-N 1 3 396.579 3.892 20 0 GHADHO Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538762412 870601548 /nfs/dbraw/zinc/60/15/48/870601548.db2.gz OJWYRRIJULILEQ-WOJBJXKFSA-N 1 3 396.579 3.892 20 0 GHADHO Cc1ncc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1-c1ccccc1 ZINC000538763377 870604937 /nfs/dbraw/zinc/60/49/37/870604937.db2.gz ADAAAYDUTIFPNR-WOJBJXKFSA-N 1 3 396.579 3.892 20 0 GHADHO C[C@@H](NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000538943549 870948582 /nfs/dbraw/zinc/94/85/82/870948582.db2.gz HSIIVLGQKCHFBX-GOSISDBHSA-N 1 3 398.526 3.636 20 0 GHADHO C[C@H](C(=O)NCC1CCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944364 870949893 /nfs/dbraw/zinc/94/98/93/870949893.db2.gz PBVOSVGYHNZTON-LJQANCHMSA-N 1 3 386.584 3.705 20 0 GHADHO CN(CCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000463138466 870988197 /nfs/dbraw/zinc/98/81/97/870988197.db2.gz XQAARHSTHCPUJX-UHFFFAOYSA-N 1 3 383.555 3.944 20 0 GHADHO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000090028666 871090025 /nfs/dbraw/zinc/09/00/25/871090025.db2.gz GFMLGBMZSXBXIZ-IBGZPJMESA-N 1 3 379.548 3.925 20 0 GHADHO COc1cccc(C[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc2)c1 ZINC000539060277 871201076 /nfs/dbraw/zinc/20/10/76/871201076.db2.gz TYMVAVWOUUWNJF-GVAUOCQISA-N 1 3 394.559 3.946 20 0 GHADHO Brc1cccc([C@@H]([NH2+]CCCN2CCCC2)C2CCOCC2)c1 ZINC000191489386 882488658 /nfs/dbraw/zinc/48/86/58/882488658.db2.gz FOGVGYZHNCIKLQ-IBGZPJMESA-N 1 3 381.358 3.992 20 0 GHADHO Brc1cccc([C@@H](NCCC[NH+]2CCCC2)C2CCOCC2)c1 ZINC000191489386 882488672 /nfs/dbraw/zinc/48/86/72/882488672.db2.gz FOGVGYZHNCIKLQ-IBGZPJMESA-N 1 3 381.358 3.992 20 0 GHADHO COC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000539073516 871261456 /nfs/dbraw/zinc/26/14/56/871261456.db2.gz MGQARQFHMSNTFG-JTDSTZFVSA-N 1 3 388.474 3.872 20 0 GHADHO CC(C)[C@@H]1C[C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000447537538 871803261 /nfs/dbraw/zinc/80/32/61/871803261.db2.gz WQJQUENWNNBBBP-GOTSBHOMSA-N 1 3 379.548 3.952 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001169743612 871814864 /nfs/dbraw/zinc/81/48/64/871814864.db2.gz CRJCQAARIFMZIP-QHCPKHFHSA-N 1 3 383.580 3.926 20 0 GHADHO C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000182624609 872618622 /nfs/dbraw/zinc/61/86/22/872618622.db2.gz WPVHVUCLIQSCSA-IBGZPJMESA-N 1 3 382.552 3.552 20 0 GHADHO CN(C)CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(C)(C)C ZINC000463900142 872820426 /nfs/dbraw/zinc/82/04/26/872820426.db2.gz ZWZMEWKUGIKOCN-MSOLQXFVSA-N 1 3 397.510 3.739 20 0 GHADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000541239843 873203040 /nfs/dbraw/zinc/20/30/40/873203040.db2.gz PIGQEKXVCDDYBF-IEXUWNMDSA-N 1 3 391.559 3.794 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)ccc1OC ZINC000768287662 873211105 /nfs/dbraw/zinc/21/11/05/873211105.db2.gz VJLYXWNOLZMCRX-MRXNPFEDSA-N 1 3 388.581 3.733 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858011547 882715738 /nfs/dbraw/zinc/71/57/38/882715738.db2.gz WBXIKMSFBCCKAZ-HSZRJFAPSA-N 1 3 395.547 3.943 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000527933539 873808741 /nfs/dbraw/zinc/80/87/41/873808741.db2.gz OWQSAOWZSZETQA-QFBILLFUSA-N 1 3 380.458 3.672 20 0 GHADHO FC(F)(F)c1cccnc1OCCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000122905883 882764564 /nfs/dbraw/zinc/76/45/64/882764564.db2.gz BZMTXFPPJLFIAK-UHFFFAOYSA-N 1 3 379.426 3.733 20 0 GHADHO CC[C@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541768459 874261590 /nfs/dbraw/zinc/26/15/90/874261590.db2.gz PWHCVRVKZZMHJA-KNKQGSTJSA-N 1 3 384.568 3.670 20 0 GHADHO Cn1nccc1[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449596156 875099901 /nfs/dbraw/zinc/09/99/01/875099901.db2.gz WYMOMJOOJNZZEB-QUCCMNQESA-N 1 3 376.589 3.909 20 0 GHADHO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000460490538 882935221 /nfs/dbraw/zinc/93/52/21/882935221.db2.gz MSTHOTADJSJGMU-FUMNGEBKSA-N 1 3 399.579 3.573 20 0 GHADHO CC(C)=CCC[C@@H](C)CCN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001201972811 875959781 /nfs/dbraw/zinc/95/97/81/875959781.db2.gz JIBLAJROJPIMPG-HXUWFJFHSA-N 1 3 376.589 3.940 20 0 GHADHO Brc1ccc2ncc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)n2c1 ZINC000192921840 883046404 /nfs/dbraw/zinc/04/64/04/883046404.db2.gz ODRHUHDLGUGXOG-QGZVFWFLSA-N 1 3 399.336 3.709 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](O)c2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000850421282 876903304 /nfs/dbraw/zinc/90/33/04/876903304.db2.gz SOUKQJOMQOHCJD-ZTQAJYAQSA-N 1 3 378.438 3.780 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](O)c2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000850421282 876903310 /nfs/dbraw/zinc/90/33/10/876903310.db2.gz SOUKQJOMQOHCJD-ZTQAJYAQSA-N 1 3 378.438 3.780 20 0 GHADHO CC1CCN(CCC[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850422075 876904297 /nfs/dbraw/zinc/90/42/97/876904297.db2.gz DRLLNGFHXCUXIU-IBGZPJMESA-N 1 3 397.485 3.734 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)CCCO2 ZINC000850425432 876907602 /nfs/dbraw/zinc/90/76/02/876907602.db2.gz MGOKCQGCYCSIOD-IBGZPJMESA-N 1 3 379.548 3.610 20 0 GHADHO CCS[C@H]1CC[C@@H](N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000174341712 876974576 /nfs/dbraw/zinc/97/45/76/876974576.db2.gz UGXAYHFYWVEJAR-RTWAWAEBSA-N 1 3 389.609 3.505 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)ccc1OC ZINC000850561934 877027896 /nfs/dbraw/zinc/02/78/96/877027896.db2.gz LROXQAHJWIIAAJ-JPYJTQIMSA-N 1 3 392.584 3.755 20 0 GHADHO CCCN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000245393721 877793476 /nfs/dbraw/zinc/79/34/76/877793476.db2.gz WJZFLGWTFBLVSN-FYYLOGMGSA-N 1 3 398.595 3.557 20 0 GHADHO CCCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000245393721 877793497 /nfs/dbraw/zinc/79/34/97/877793497.db2.gz WJZFLGWTFBLVSN-FYYLOGMGSA-N 1 3 398.595 3.557 20 0 GHADHO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000245786251 878591918 /nfs/dbraw/zinc/59/19/18/878591918.db2.gz VHXGBLGVAFMQRY-SIKLNZKXSA-N 1 3 396.531 3.581 20 0 GHADHO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000245786251 878591930 /nfs/dbraw/zinc/59/19/30/878591930.db2.gz VHXGBLGVAFMQRY-SIKLNZKXSA-N 1 3 396.531 3.581 20 0 GHADHO O=C(CCCC[NH+]1CCCC1)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000772729711 878606902 /nfs/dbraw/zinc/60/69/02/878606902.db2.gz OBFMZVVPBADDOC-NRFANRHFSA-N 1 3 395.551 3.535 20 0 GHADHO CC1(C)CN(C[C@@H](O)c2ccccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000853063692 878782821 /nfs/dbraw/zinc/78/28/21/878782821.db2.gz FDIBHTYBEKVFNG-DHIUTWEWSA-N 1 3 379.548 3.738 20 0 GHADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000177842690 878883001 /nfs/dbraw/zinc/88/30/01/878883001.db2.gz DEJRPBXOHATQJW-MOPGFXCFSA-N 1 3 392.613 3.504 20 0 GHADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000177842690 878883010 /nfs/dbraw/zinc/88/30/10/878883010.db2.gz DEJRPBXOHATQJW-MOPGFXCFSA-N 1 3 392.613 3.504 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000246050815 878903614 /nfs/dbraw/zinc/90/36/14/878903614.db2.gz PNYWRXPDLJOCDW-QMMLZNLJSA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000246050815 878903620 /nfs/dbraw/zinc/90/36/20/878903620.db2.gz PNYWRXPDLJOCDW-QMMLZNLJSA-N 1 3 378.582 3.506 20 0 GHADHO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000853239941 878923106 /nfs/dbraw/zinc/92/31/06/878923106.db2.gz KLSZKHYQLDUQBY-SFTDATJTSA-N 1 3 385.552 3.752 20 0 GHADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000178523020 879139617 /nfs/dbraw/zinc/13/96/17/879139617.db2.gz FALYFNLZOMDDLK-GOSISDBHSA-N 1 3 386.511 3.902 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000246198920 879185345 /nfs/dbraw/zinc/18/53/45/879185345.db2.gz MWFAIHLEAPSLJL-RBBKRZOGSA-N 1 3 386.584 3.505 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000246198920 879185354 /nfs/dbraw/zinc/18/53/54/879185354.db2.gz MWFAIHLEAPSLJL-RBBKRZOGSA-N 1 3 386.584 3.505 20 0 GHADHO Cc1nccn1-c1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246591782 879707656 /nfs/dbraw/zinc/70/76/56/879707656.db2.gz ZKSOOGGARFKFBE-JJEOQYAHSA-N 1 3 382.552 3.599 20 0 GHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246591782 879707664 /nfs/dbraw/zinc/70/76/64/879707664.db2.gz ZKSOOGGARFKFBE-JJEOQYAHSA-N 1 3 382.552 3.599 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@@H](C)C1 ZINC000538588044 879799325 /nfs/dbraw/zinc/79/93/25/879799325.db2.gz LMNXWLAEXRQNTK-UGKGYDQZSA-N 1 3 391.625 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@@H](C)C1 ZINC000538588044 879799335 /nfs/dbraw/zinc/79/93/35/879799335.db2.gz LMNXWLAEXRQNTK-UGKGYDQZSA-N 1 3 391.625 3.784 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@H](C)C1 ZINC000538588040 879799558 /nfs/dbraw/zinc/79/95/58/879799558.db2.gz LMNXWLAEXRQNTK-KNQAVFIVSA-N 1 3 391.625 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@H](C)C1 ZINC000538588040 879799578 /nfs/dbraw/zinc/79/95/78/879799578.db2.gz LMNXWLAEXRQNTK-KNQAVFIVSA-N 1 3 391.625 3.784 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000247195932 879940350 /nfs/dbraw/zinc/94/03/50/879940350.db2.gz WAAXSZADPYYURI-RBUKOAKNSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000247195932 879940360 /nfs/dbraw/zinc/94/03/60/879940360.db2.gz WAAXSZADPYYURI-RBUKOAKNSA-N 1 3 390.535 3.745 20 0 GHADHO CC[C@H](CN[C@H](C)CC(=O)Nc1ccc(Br)cc1)[NH+]1CCCC1 ZINC000531686576 880317557 /nfs/dbraw/zinc/31/75/57/880317557.db2.gz PMNYIAYHIXHSLF-RHSMWYFYSA-N 1 3 382.346 3.630 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453295286 880743140 /nfs/dbraw/zinc/74/31/40/880743140.db2.gz YEGMFYWLATZUER-PZJWPPBQSA-N 1 3 385.596 3.696 20 0 GHADHO O=C(NC1CC1)[C@@H](NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000057932886 881201363 /nfs/dbraw/zinc/20/13/63/881201363.db2.gz IJJVBCSQHUSKNX-NRFANRHFSA-N 1 3 383.561 3.570 20 0 GHADHO C[C@H](CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC000556983952 881291106 /nfs/dbraw/zinc/29/11/06/881291106.db2.gz QXTJDZWKLUXKDL-UYAOXDASSA-N 1 3 393.522 3.525 20 0 GHADHO c1ncn(-c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCCN4Cc4ccccc4)C3)cc2)n1 ZINC000537694592 883206828 /nfs/dbraw/zinc/20/68/28/883206828.db2.gz OCESKACOIWVAEY-VWNXMTODSA-N 1 3 387.531 3.754 20 0 GHADHO c1ncn(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CCCN4Cc4ccccc4)C3)cc2)n1 ZINC000537694592 883206844 /nfs/dbraw/zinc/20/68/44/883206844.db2.gz OCESKACOIWVAEY-VWNXMTODSA-N 1 3 387.531 3.754 20 0 GHADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCN1C ZINC000666172371 883782712 /nfs/dbraw/zinc/78/27/12/883782712.db2.gz NWUFPSFSMCOIBR-ZQAWKMMESA-N 1 3 381.539 3.866 20 0 GHADHO C[NH+](C)CCOC1CCN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000494983953 884316180 /nfs/dbraw/zinc/31/61/80/884316180.db2.gz ZHMHLDJLMYFGJX-UHFFFAOYSA-N 1 3 396.457 3.638 20 0 GHADHO C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495072094 884483126 /nfs/dbraw/zinc/48/31/26/884483126.db2.gz ZXAJDTOHXRUZMT-UPVQGACJSA-N 1 3 399.623 3.769 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000460346399 884925655 /nfs/dbraw/zinc/92/56/55/884925655.db2.gz GOZXHMWNZODRTE-QZTJIDSGSA-N 1 3 399.966 3.702 20 0 GHADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000302980913 885409584 /nfs/dbraw/zinc/40/95/84/885409584.db2.gz JOYGFFMJTVTPQZ-RDGPPVDQSA-N 1 3 392.613 3.551 20 0 GHADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000302980913 885409593 /nfs/dbraw/zinc/40/95/93/885409593.db2.gz JOYGFFMJTVTPQZ-RDGPPVDQSA-N 1 3 392.613 3.551 20 0 GHADHO Cc1cc(F)cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1F ZINC001211916706 885441610 /nfs/dbraw/zinc/44/16/10/885441610.db2.gz SPRXPAYDJJJHGH-GOSISDBHSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(F)cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1F ZINC001211916706 885441617 /nfs/dbraw/zinc/44/16/17/885441617.db2.gz SPRXPAYDJJJHGH-GOSISDBHSA-N 1 3 396.441 3.512 20 0 GHADHO CCc1cnc(Cl)nc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170526348 885493044 /nfs/dbraw/zinc/49/30/44/885493044.db2.gz YBOFPPSFXGNYEF-UHFFFAOYSA-N 1 3 383.927 3.602 20 0 GHADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(CN2CCCC2)c1 ZINC000108710659 885886670 /nfs/dbraw/zinc/88/66/70/885886670.db2.gz UJXLLSCTPLFVKQ-UHFFFAOYSA-N 1 3 377.532 3.808 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000054719074 888034754 /nfs/dbraw/zinc/03/47/54/888034754.db2.gz YWKMMBBFZKWMOG-RZUBCFFCSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000054719074 888034759 /nfs/dbraw/zinc/03/47/59/888034759.db2.gz YWKMMBBFZKWMOG-RZUBCFFCSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H](c1ccc(Cl)cc1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130650048 889025126 /nfs/dbraw/zinc/02/51/26/889025126.db2.gz FGFOJRWAJDUAQC-INIZCTEOSA-N 1 3 379.976 3.817 20 0 GHADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000644530793 913344150 /nfs/dbraw/zinc/34/41/50/913344150.db2.gz OXHGRCLBZOHIIY-PKTZIBPZSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644530793 913344163 /nfs/dbraw/zinc/34/41/63/913344163.db2.gz OXHGRCLBZOHIIY-PKTZIBPZSA-N 1 3 382.548 3.545 20 0 GHADHO C[N@H+](CCCn1c2ccccc2[nH]c1=O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000532989315 889473711 /nfs/dbraw/zinc/47/37/11/889473711.db2.gz KVJKLWJZZBNUGF-FQEVSTJZSA-N 1 3 378.520 3.586 20 0 GHADHO C[N@@H+](CCCn1c2ccccc2[nH]c1=O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000532989315 889473723 /nfs/dbraw/zinc/47/37/23/889473723.db2.gz KVJKLWJZZBNUGF-FQEVSTJZSA-N 1 3 378.520 3.586 20 0 GHADHO CC(C)C[C@H](CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467421 889627727 /nfs/dbraw/zinc/62/77/27/889627727.db2.gz MFHWISDDQHBTFL-NSHGMRRFSA-N 1 3 379.589 3.875 20 0 GHADHO CC(C)C[C@H](CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467421 889627733 /nfs/dbraw/zinc/62/77/33/889627733.db2.gz MFHWISDDQHBTFL-NSHGMRRFSA-N 1 3 379.589 3.875 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872034316 891127214 /nfs/dbraw/zinc/12/72/14/891127214.db2.gz GOLMDZIKQRSUEQ-GOSISDBHSA-N 1 3 375.582 3.534 20 0 GHADHO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000067452876 891314089 /nfs/dbraw/zinc/31/40/89/891314089.db2.gz VXEKRIJBDYWERX-KDURUIRLSA-N 1 3 384.568 3.527 20 0 GHADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000497416225 891535096 /nfs/dbraw/zinc/53/50/96/891535096.db2.gz JQJYZIKZXGJVGA-XZOQPEGZSA-N 1 3 377.532 3.500 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000078269744 891751830 /nfs/dbraw/zinc/75/18/30/891751830.db2.gz YMQLGRPACQGOKB-UHFFFAOYSA-N 1 3 380.536 3.577 20 0 GHADHO O=C(NC[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261794674 892119385 /nfs/dbraw/zinc/11/93/85/892119385.db2.gz IMTIIVKJPXZFIW-OFNKIYASSA-N 1 3 393.531 3.559 20 0 GHADHO C[NH+](C)CC1CCC(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000533740362 892710317 /nfs/dbraw/zinc/71/03/17/892710317.db2.gz HFCYEHJXOXACFF-UHFFFAOYSA-N 1 3 382.339 3.784 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936168 892777144 /nfs/dbraw/zinc/77/71/44/892777144.db2.gz RFPHSRGPWFBWSB-KBAYOESNSA-N 1 3 399.501 3.532 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936168 892777150 /nfs/dbraw/zinc/77/71/50/892777150.db2.gz RFPHSRGPWFBWSB-KBAYOESNSA-N 1 3 399.501 3.532 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(C4CC4)cc3)c2)C1 ZINC000459422616 893502905 /nfs/dbraw/zinc/50/29/05/893502905.db2.gz FYKLCSAUHAODBX-QHCPKHFHSA-N 1 3 377.532 3.551 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(C4CC4)cc3)c2)C1 ZINC000459422616 893502919 /nfs/dbraw/zinc/50/29/19/893502919.db2.gz FYKLCSAUHAODBX-QHCPKHFHSA-N 1 3 377.532 3.551 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(CN3CCCC3=O)cc2)C[C@H]1c1ccccc1 ZINC000556058435 893579068 /nfs/dbraw/zinc/57/90/68/893579068.db2.gz IQEVPMJFWIFECA-GOTSBHOMSA-N 1 3 377.532 3.734 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(CN3CCCC3=O)cc2)C[C@H]1c1ccccc1 ZINC000556058435 893579072 /nfs/dbraw/zinc/57/90/72/893579072.db2.gz IQEVPMJFWIFECA-GOTSBHOMSA-N 1 3 377.532 3.734 20 0 GHADHO CC1(C)OCC[C@@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000556060396 893603165 /nfs/dbraw/zinc/60/31/65/893603165.db2.gz GNIDQQVSSXHUON-QHCPKHFHSA-N 1 3 379.548 3.666 20 0 GHADHO COc1ccc(-c2nn(Cc3ccccc3)cc2CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000563626080 893987777 /nfs/dbraw/zinc/98/77/77/893987777.db2.gz WICVEZRKVPYFJC-QZTJIDSGSA-N 1 3 378.520 3.822 20 0 GHADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000537014410 894221059 /nfs/dbraw/zinc/22/10/59/894221059.db2.gz MTGYJNQZNTZDOK-GOSISDBHSA-N 1 3 399.966 3.886 20 0 GHADHO CCCN(C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000564676225 895172320 /nfs/dbraw/zinc/17/23/20/895172320.db2.gz MOUKYHSUKCBGEO-HXUWFJFHSA-N 1 3 379.976 3.960 20 0 GHADHO CCC(F)(F)c1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000880775422 895862964 /nfs/dbraw/zinc/86/29/64/895862964.db2.gz QCFHBGWHCQIGIP-UHFFFAOYSA-N 1 3 394.510 3.869 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(OCc2ccccc2)c1 ZINC000817902619 895954277 /nfs/dbraw/zinc/95/42/77/895954277.db2.gz VLUKAHNRQHUQIM-OLKYXYMISA-N 1 3 380.532 3.809 20 0 GHADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444228 896317676 /nfs/dbraw/zinc/31/76/76/896317676.db2.gz LCVCYYMWNGDLLF-MDYRTPRTSA-N 1 3 397.485 3.546 20 0 GHADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444228 896317688 /nfs/dbraw/zinc/31/76/88/896317688.db2.gz LCVCYYMWNGDLLF-MDYRTPRTSA-N 1 3 397.485 3.546 20 0 GHADHO Cc1ccc(OC[C@@H](O)CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282844 896527715 /nfs/dbraw/zinc/52/77/15/896527715.db2.gz CDLPLJCUJVPBIA-UPVQGACJSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(OC[C@@H](O)CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282844 896527729 /nfs/dbraw/zinc/52/77/29/896527729.db2.gz CDLPLJCUJVPBIA-UPVQGACJSA-N 1 3 382.548 3.545 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)CC2)CC1 ZINC000567517014 897216550 /nfs/dbraw/zinc/21/65/50/897216550.db2.gz PNNZSSLLPDNDBR-UHFFFAOYSA-N 1 3 396.579 3.597 20 0 GHADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883207168 897371286 /nfs/dbraw/zinc/37/12/86/897371286.db2.gz HKLBWHLWVMMOLT-DNVJHFABSA-N 1 3 390.543 3.651 20 0 GHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001136508039 898104857 /nfs/dbraw/zinc/10/48/57/898104857.db2.gz KVRCEDYTIOVSAY-UHFFFAOYSA-N 1 3 381.511 3.510 20 0 GHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001136508039 898104863 /nfs/dbraw/zinc/10/48/63/898104863.db2.gz KVRCEDYTIOVSAY-UHFFFAOYSA-N 1 3 381.511 3.510 20 0 GHADHO CC1(C)Cc2occc2[C@H](NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000569088524 898335272 /nfs/dbraw/zinc/33/52/72/898335272.db2.gz QNYRXHNJNOJQJJ-OAQYLSRUSA-N 1 3 395.547 3.780 20 0 GHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823448037 899031147 /nfs/dbraw/zinc/03/11/47/899031147.db2.gz RQHLEGSRKIPRMA-YZUZCNPQSA-N 1 3 399.579 3.697 20 0 GHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823448037 899031160 /nfs/dbraw/zinc/03/11/60/899031160.db2.gz RQHLEGSRKIPRMA-YZUZCNPQSA-N 1 3 399.579 3.697 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000570738184 899548438 /nfs/dbraw/zinc/54/84/38/899548438.db2.gz YOWRGTYKQQLYRZ-UHFFFAOYSA-N 1 3 395.950 3.634 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)CC1 ZINC000570981378 899697878 /nfs/dbraw/zinc/69/78/78/899697878.db2.gz LLZNZSXQYNKVND-UHFFFAOYSA-N 1 3 398.576 3.945 20 0 GHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000134804124 900124300 /nfs/dbraw/zinc/12/43/00/900124300.db2.gz BPZPNQIQGWZNSS-WCIQWLHISA-N 1 3 379.589 3.876 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000886709647 901239141 /nfs/dbraw/zinc/23/91/41/901239141.db2.gz VMXSWYGGNJELRV-HJNYFJLDSA-N 1 3 378.601 3.985 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000886709644 901239420 /nfs/dbraw/zinc/23/94/20/901239420.db2.gz VMXSWYGGNJELRV-BAGYTPMASA-N 1 3 378.601 3.985 20 0 GHADHO C[N@@H+]1CCC[C@H](CCNCc2cc(OC(F)F)ccc2Br)C1 ZINC001202748504 901921325 /nfs/dbraw/zinc/92/13/25/901921325.db2.gz BIERAZUIKNVHHV-GFCCVEGCSA-N 1 3 377.273 3.872 20 0 GHADHO C[N@H+]1CCC[C@H](CCNCc2cc(OC(F)F)ccc2Br)C1 ZINC001202748504 901921348 /nfs/dbraw/zinc/92/13/48/901921348.db2.gz BIERAZUIKNVHHV-GFCCVEGCSA-N 1 3 377.273 3.872 20 0 GHADHO C[NH+](C)CCCCC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000578067961 903492620 /nfs/dbraw/zinc/49/26/20/903492620.db2.gz UOLKDTNOFCZNFX-HXUWFJFHSA-N 1 3 381.511 3.728 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000578178644 903590250 /nfs/dbraw/zinc/59/02/50/903590250.db2.gz CHMHRENEOYLQIC-QFIPXVFZSA-N 1 3 388.600 3.660 20 0 GHADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)Cc1ccccc1 ZINC001146747951 903600351 /nfs/dbraw/zinc/60/03/51/903600351.db2.gz FSPXNLGRKAZNQR-URXFXBBRSA-N 1 3 393.575 3.578 20 0 GHADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)Cc1ccccc1 ZINC001146747951 903600363 /nfs/dbraw/zinc/60/03/63/903600363.db2.gz FSPXNLGRKAZNQR-URXFXBBRSA-N 1 3 393.575 3.578 20 0 GHADHO Cc1cc2ncn(C[C@@H](O)CNC3CC[NH+](CC4CCCCC4)CC3)c2cc1C ZINC000773006244 904362005 /nfs/dbraw/zinc/36/20/05/904362005.db2.gz CUVIQRIVMNBKOD-QFIPXVFZSA-N 1 3 398.595 3.648 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N2CCC([NH+]3CCC3)CC2)C[C@@H]1C(C)(C)C ZINC001171614404 904878611 /nfs/dbraw/zinc/87/86/11/904878611.db2.gz BBQVZONMVAIUSZ-RTBURBONSA-N 1 3 379.589 3.971 20 0 GHADHO C[C@@H]1CN(Cc2ccc(CN(C)CC[N@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001171637012 904925442 /nfs/dbraw/zinc/92/54/42/904925442.db2.gz SLXQZBIGRXJSNY-SZPZYZBQSA-N 1 3 395.591 3.860 20 0 GHADHO C[C@@H]1CN(Cc2ccc(CN(C)CC[N@@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001171637012 904925452 /nfs/dbraw/zinc/92/54/52/904925452.db2.gz SLXQZBIGRXJSNY-SZPZYZBQSA-N 1 3 395.591 3.860 20 0 GHADHO COc1ccccc1C(=O)NC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171641667 904930602 /nfs/dbraw/zinc/93/06/02/904930602.db2.gz SLVSFQHKEPHSLP-UHFFFAOYSA-N 1 3 387.568 3.541 20 0 GHADHO COc1ccccc1C(=O)NC1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641667 904930613 /nfs/dbraw/zinc/93/06/13/904930613.db2.gz SLVSFQHKEPHSLP-UHFFFAOYSA-N 1 3 387.568 3.541 20 0 GHADHO C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762688 904999119 /nfs/dbraw/zinc/99/91/19/904999119.db2.gz LHXHGGXOHQUSHQ-OCFYOKIWSA-N 1 3 375.560 3.713 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccccc1 ZINC001172073135 905277345 /nfs/dbraw/zinc/27/73/45/905277345.db2.gz OHYHREWJUBERBJ-NUNAXRQHSA-N 1 3 392.547 3.983 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccc1 ZINC001172073135 905277359 /nfs/dbraw/zinc/27/73/59/905277359.db2.gz OHYHREWJUBERBJ-NUNAXRQHSA-N 1 3 392.547 3.983 20 0 GHADHO OC[C@H](Cc1cccc(F)c1)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076301 905286113 /nfs/dbraw/zinc/28/61/13/905286113.db2.gz HRWDQJJEPNLEDJ-XQUALCHDSA-N 1 3 382.523 3.904 20 0 GHADHO OC[C@H](Cc1cccc(F)c1)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076301 905286133 /nfs/dbraw/zinc/28/61/33/905286133.db2.gz HRWDQJJEPNLEDJ-XQUALCHDSA-N 1 3 382.523 3.904 20 0 GHADHO COc1ccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001172063291 905326748 /nfs/dbraw/zinc/32/67/48/905326748.db2.gz BRYJIXAJOWXEEF-JTOYRKQZSA-N 1 3 380.532 3.904 20 0 GHADHO COc1cc(C)[nH]c(=O)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172067026 905334121 /nfs/dbraw/zinc/33/41/21/905334121.db2.gz DPJBBONAAWQDSB-OWZKRDHZSA-N 1 3 381.520 3.780 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001172113295 905364068 /nfs/dbraw/zinc/36/40/68/905364068.db2.gz IEQYRSBLINDIGV-ACDBMABISA-N 1 3 381.486 3.838 20 0 GHADHO Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@H]2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001172116439 905365615 /nfs/dbraw/zinc/36/56/15/905365615.db2.gz FEPIWIYCHUTSSA-SCDRESIJSA-N 1 3 383.580 3.682 20 0 GHADHO Cc1cccc(N2CCC[C@]3(C2)C[N@@H+]([C@H]2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001172116439 905365635 /nfs/dbraw/zinc/36/56/35/905365635.db2.gz FEPIWIYCHUTSSA-SCDRESIJSA-N 1 3 383.580 3.682 20 0 GHADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001172574259 905634610 /nfs/dbraw/zinc/63/46/10/905634610.db2.gz OGQMLCBIQAPPME-PNHOKKKMSA-N 1 3 385.930 3.650 20 0 GHADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001172574259 905634614 /nfs/dbraw/zinc/63/46/14/905634614.db2.gz OGQMLCBIQAPPME-PNHOKKKMSA-N 1 3 385.930 3.650 20 0 GHADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001172574367 905636418 /nfs/dbraw/zinc/63/64/18/905636418.db2.gz PEQURQQRRQAOIV-HNNXBMFYSA-N 1 3 385.930 3.651 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172542122 905645433 /nfs/dbraw/zinc/64/54/33/905645433.db2.gz SUWXRXPXRZISEL-DHIUTWEWSA-N 1 3 393.575 3.537 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172542122 905645441 /nfs/dbraw/zinc/64/54/41/905645441.db2.gz SUWXRXPXRZISEL-DHIUTWEWSA-N 1 3 393.575 3.537 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C[C@H](C)CN)CCN1C(=O)OC(C)(C)C ZINC001172603016 905662298 /nfs/dbraw/zinc/66/22/98/905662298.db2.gz IRAKWLZIQJPAAD-BJZITVGISA-N 1 3 379.520 3.759 20 0 GHADHO C[C@H](CCc1c(F)cc(Cl)cc1F)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172578391 905677734 /nfs/dbraw/zinc/67/77/34/905677734.db2.gz OWWLQXHGWOOTGE-MRXNPFEDSA-N 1 3 399.957 3.899 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CCC([NH3+])(CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001172629718 905691645 /nfs/dbraw/zinc/69/16/45/905691645.db2.gz BLEHOPIDSMZWAU-RTBURBONSA-N 1 3 397.604 3.775 20 0 GHADHO CCCC[C@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172640163 905701959 /nfs/dbraw/zinc/70/19/59/905701959.db2.gz GUXNAFBBKBXQHZ-WCIQWLHISA-N 1 3 379.589 3.828 20 0 GHADHO CCCC[C@H]1C[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172640163 905701972 /nfs/dbraw/zinc/70/19/72/905701972.db2.gz GUXNAFBBKBXQHZ-WCIQWLHISA-N 1 3 379.589 3.828 20 0 GHADHO COc1ccc(C2(N)CC[NH+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001172957523 906063363 /nfs/dbraw/zinc/06/33/63/906063363.db2.gz UFOHJGVSTPSLKW-QGZVFWFLSA-N 1 3 391.556 3.591 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001172958690 906065890 /nfs/dbraw/zinc/06/58/90/906065890.db2.gz KJOWURWLXLYPKV-GOSISDBHSA-N 1 3 390.572 3.529 20 0 GHADHO C[C@H]1CC[C@H](NCc2ccccc2OCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173052791 906125399 /nfs/dbraw/zinc/12/53/99/906125399.db2.gz HSUVZDSLYXLSTI-HKUYNNGSSA-N 1 3 391.556 3.505 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000177752526 906210291 /nfs/dbraw/zinc/21/02/91/906210291.db2.gz DNVGKAIPSUVOCJ-ZWKOTPCHSA-N 1 3 397.519 3.995 20 0 GHADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(C(=O)c4ccccc4)CC3)CC2)C1 ZINC000177855231 906229535 /nfs/dbraw/zinc/22/95/35/906229535.db2.gz AJHQKVFXUONQAV-WMZHIEFXSA-N 1 3 383.580 3.924 20 0 GHADHO CCC[N@H+](CCCN)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173387548 906415733 /nfs/dbraw/zinc/41/57/33/906415733.db2.gz XXLISETUWHDQOH-FGTMMUONSA-N 1 3 398.588 3.516 20 0 GHADHO CCC[N@@H+](CCCN)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173387548 906415741 /nfs/dbraw/zinc/41/57/41/906415741.db2.gz XXLISETUWHDQOH-FGTMMUONSA-N 1 3 398.588 3.516 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H](N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662262 906600382 /nfs/dbraw/zinc/60/03/82/906600382.db2.gz WQHVPQJXIZAXAM-RXVVDRJESA-N 1 3 376.516 3.844 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H](N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662262 906600395 /nfs/dbraw/zinc/60/03/95/906600395.db2.gz WQHVPQJXIZAXAM-RXVVDRJESA-N 1 3 376.516 3.844 20 0 GHADHO C[C@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180417023 906763064 /nfs/dbraw/zinc/76/30/64/906763064.db2.gz SNCMDJUTXQGJLW-SFHVURJKSA-N 1 3 378.520 3.878 20 0 GHADHO CCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OCC ZINC000182264907 907173376 /nfs/dbraw/zinc/17/33/76/907173376.db2.gz GRACMTHQUPMOAL-AVRDEDQJSA-N 1 3 398.547 3.901 20 0 GHADHO CCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OCC ZINC000182264907 907173386 /nfs/dbraw/zinc/17/33/86/907173386.db2.gz GRACMTHQUPMOAL-AVRDEDQJSA-N 1 3 398.547 3.901 20 0 GHADHO CCN1CCN(c2ccc(Nc3ccc(F)cc3OCC[NH+](C)C)cc2)CC1 ZINC001175781636 907742224 /nfs/dbraw/zinc/74/22/24/907742224.db2.gz KDRULQPGFVCCJE-UHFFFAOYSA-N 1 3 386.515 3.652 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C4CCC4)CC3)CC2)CC1 ZINC000634524158 908747320 /nfs/dbraw/zinc/74/73/20/908747320.db2.gz UREVRQVJWMXRGY-FQEVSTJZSA-N 1 3 375.601 3.612 20 0 GHADHO CCN(CC)C(=O)c1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000268766297 910005438 /nfs/dbraw/zinc/00/54/38/910005438.db2.gz QJBALUCSEWDXIW-LJQANCHMSA-N 1 3 397.563 3.960 20 0 GHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(Br)ncc1F ZINC000273850610 911056470 /nfs/dbraw/zinc/05/64/70/911056470.db2.gz JUHWIYTTYKVJAW-MCIONIFRSA-N 1 3 388.325 3.523 20 0 GHADHO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc3c2CN(C)C[C@H]3c2ccccc2)C1 ZINC001181983725 911109232 /nfs/dbraw/zinc/10/92/32/911109232.db2.gz LXOBYWWSFMUCRH-FPOVZHCZSA-N 1 3 377.532 3.933 20 0 GHADHO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc3c2CN(C)C[C@H]3c2ccccc2)C1 ZINC001181983725 911109240 /nfs/dbraw/zinc/10/92/40/911109240.db2.gz LXOBYWWSFMUCRH-FPOVZHCZSA-N 1 3 377.532 3.933 20 0 GHADHO CCCCN(CC)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)c1ccccc1 ZINC001182236584 911299073 /nfs/dbraw/zinc/29/90/73/911299073.db2.gz XWBUTRCYPSNIQE-QFIPXVFZSA-N 1 3 383.580 3.794 20 0 GHADHO CCCCN(CC)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)c1ccccc1 ZINC001182236584 911299080 /nfs/dbraw/zinc/29/90/80/911299080.db2.gz XWBUTRCYPSNIQE-QFIPXVFZSA-N 1 3 383.580 3.794 20 0 GHADHO Cn1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c(-c2ccccc2)n1 ZINC000283948051 911699751 /nfs/dbraw/zinc/69/97/51/911699751.db2.gz JZFHIDVDUBXHSZ-UHFFFAOYSA-N 1 3 390.531 3.850 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774457699 911764332 /nfs/dbraw/zinc/76/43/32/911764332.db2.gz KAUADXUAVXKQNV-JBBXEZCESA-N 1 3 386.367 3.994 20 0 GHADHO CC(C)(C)[C@]1(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)CCN(Cc2ccccc2)C1 ZINC001182533286 911858404 /nfs/dbraw/zinc/85/84/04/911858404.db2.gz MTNYXCUIMMXAHK-ZEQRLZLVSA-N 1 3 388.596 3.692 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000647343962 915165516 /nfs/dbraw/zinc/16/55/16/915165516.db2.gz GQOPYOCIPBGCAM-LLBVYWAGSA-N 1 3 392.547 3.967 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000647343962 915165526 /nfs/dbraw/zinc/16/55/26/915165526.db2.gz GQOPYOCIPBGCAM-LLBVYWAGSA-N 1 3 392.547 3.967 20 0 GHADHO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543779 915320571 /nfs/dbraw/zinc/32/05/71/915320571.db2.gz RVAAHJYFPRUHDL-IRXDYDNUSA-N 1 3 385.533 3.750 20 0 GHADHO CCCOc1c(Cl)cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650705549 917242405 /nfs/dbraw/zinc/24/24/05/917242405.db2.gz LCSILVHJHRYOMM-YQVWRLOYSA-N 1 3 396.959 3.856 20 0 GHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362702422 917375340 /nfs/dbraw/zinc/37/53/40/917375340.db2.gz MTLRCKSTYIYRJG-GPMSIDNRSA-N 1 3 385.474 3.604 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1CN1CCCCC1 ZINC000775392973 917378504 /nfs/dbraw/zinc/37/85/04/917378504.db2.gz JBATYVVILKZXFC-WMZHIEFXSA-N 1 3 382.548 3.935 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)ccc1OC ZINC000775395174 917384094 /nfs/dbraw/zinc/38/40/94/917384094.db2.gz SFRKVGQCMMODLC-SFHVURJKSA-N 1 3 382.548 3.718 20 0 GHADHO COC[C@H]1CCCN(Cc2cc(C[N@@H+]3CCC[C@H](COC)C3)ccc2F)C1 ZINC000297409719 919302851 /nfs/dbraw/zinc/30/28/51/919302851.db2.gz GHBLMTCWZOFFOI-PMACEKPBSA-N 1 3 378.532 3.543 20 0 GHADHO COC[C@H]1CCCN(Cc2cc(C[N@H+]3CCC[C@H](COC)C3)ccc2F)C1 ZINC000297409719 919302870 /nfs/dbraw/zinc/30/28/70/919302870.db2.gz GHBLMTCWZOFFOI-PMACEKPBSA-N 1 3 378.532 3.543 20 0 GHADHO COCc1cc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000902504627 922244256 /nfs/dbraw/zinc/24/42/56/922244256.db2.gz PDOSVAKWLXPOOT-LERMDLETSA-N 1 3 382.504 3.748 20 0 GHADHO C[S@@](=O)Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000367713271 922277403 /nfs/dbraw/zinc/27/74/03/922277403.db2.gz RIJBVRBHDAXNJX-QSGNWFJVSA-N 1 3 382.573 3.850 20 0 GHADHO c1ccc([C@@H](CCc2cccnc2)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000902808176 922508561 /nfs/dbraw/zinc/50/85/61/922508561.db2.gz DRXODJRQHSBSJQ-XUZZJYLKSA-N 1 3 379.548 3.846 20 0 GHADHO COc1cccc([C@H]2[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146210 922806938 /nfs/dbraw/zinc/80/69/38/922806938.db2.gz DUEDAAFUINEHIX-DKCCDPRCSA-N 1 3 381.564 3.720 20 0 GHADHO COc1cccc([C@H]2[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146210 922806952 /nfs/dbraw/zinc/80/69/52/922806952.db2.gz DUEDAAFUINEHIX-DKCCDPRCSA-N 1 3 381.564 3.720 20 0 GHADHO FC(F)(F)c1csc([C@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755542 923258330 /nfs/dbraw/zinc/25/83/30/923258330.db2.gz IVUUDMUKVBLDKF-UONOGXRCSA-N 1 3 389.487 3.500 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000369941099 923757328 /nfs/dbraw/zinc/75/73/28/923757328.db2.gz AAIVNNYHBXJEMX-HXUWFJFHSA-N 1 3 398.576 3.621 20 0 GHADHO CC1CCN(CCC[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000676870953 924119514 /nfs/dbraw/zinc/11/95/14/924119514.db2.gz DELDBILONWFJKO-PMACEKPBSA-N 1 3 397.563 3.696 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000678125447 924619046 /nfs/dbraw/zinc/61/90/46/924619046.db2.gz VMLMEIUXKWBYLT-OAQYLSRUSA-N 1 3 382.504 3.735 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335522 925099417 /nfs/dbraw/zinc/09/94/17/925099417.db2.gz BCQUEKWOCUHNKB-RDGATRHJSA-N 1 3 391.559 3.982 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335522 925099427 /nfs/dbraw/zinc/09/94/27/925099427.db2.gz BCQUEKWOCUHNKB-RDGATRHJSA-N 1 3 391.559 3.982 20 0 GHADHO O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400097 925124278 /nfs/dbraw/zinc/12/42/78/925124278.db2.gz KWMKVYKADOJKKT-SNJCGAMXSA-N 1 3 381.564 3.705 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1CN1CCCCC1 ZINC000374991817 927786445 /nfs/dbraw/zinc/78/64/45/927786445.db2.gz SUNPREOXZCEOPJ-AVCGJXAMSA-N 1 3 388.552 3.670 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751082423 928019793 /nfs/dbraw/zinc/01/97/93/928019793.db2.gz QRUXIWYPEGMHTQ-DNJQPREOSA-N 1 3 398.595 3.918 20 0 GHADHO C[C@H](CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000544330553 929059084 /nfs/dbraw/zinc/05/90/84/929059084.db2.gz KOCPLNZIOOAYPA-NHCUHLMSSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000469166107 929646390 /nfs/dbraw/zinc/64/63/90/929646390.db2.gz SRJVQAHUHMBXDM-IAGOWNOFSA-N 1 3 377.960 3.541 20 0 GHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000469429271 929879347 /nfs/dbraw/zinc/87/93/47/929879347.db2.gz BHUJWXFDMXURRI-LZBANZJXSA-N 1 3 388.600 3.563 20 0 GHADHO CN(C)CCN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCC1 ZINC000758725105 930149763 /nfs/dbraw/zinc/14/97/63/930149763.db2.gz KWPWYNIUFZMXKW-UHFFFAOYSA-N 1 3 378.605 3.547 20 0 GHADHO CN1CC[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000759517882 930391769 /nfs/dbraw/zinc/39/17/69/930391769.db2.gz GIUHOKKLUJUYTQ-FGZHOGPDSA-N 1 3 386.584 3.777 20 0 GHADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c(C)c1OC ZINC000557392551 931397392 /nfs/dbraw/zinc/39/73/92/931397392.db2.gz FUNLIPRWRIAGQG-IBGZPJMESA-N 1 3 397.563 3.610 20 0 GHADHO CCN(CC)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000558974298 932348135 /nfs/dbraw/zinc/34/81/35/932348135.db2.gz YSUDRKBMXSYOKR-ZJVRTDGDSA-N 1 3 377.960 3.712 20 0 GHADHO CCN(CC)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000558974298 932348144 /nfs/dbraw/zinc/34/81/44/932348144.db2.gz YSUDRKBMXSYOKR-ZJVRTDGDSA-N 1 3 377.960 3.712 20 0 GHADHO C[NH+]1CCC2(CCCN(CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)C2)CC1 ZINC000799178721 932899097 /nfs/dbraw/zinc/89/90/97/932899097.db2.gz GEQJASFKIFJIHY-UHFFFAOYSA-N 1 3 389.559 3.761 20 0 GHADHO CC1CC[NH+](CCCNC[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000560823729 933588310 /nfs/dbraw/zinc/58/83/10/933588310.db2.gz RRMKBICMZSABIJ-FQEVSTJZSA-N 1 3 379.548 3.867 20 0 GHADHO CC1CCN(CCC[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000560823729 933588318 /nfs/dbraw/zinc/58/83/18/933588318.db2.gz RRMKBICMZSABIJ-FQEVSTJZSA-N 1 3 379.548 3.867 20 0 GHADHO CC[NH+]1CCC(CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000561485098 934205920 /nfs/dbraw/zinc/20/59/20/934205920.db2.gz AXPQWMUMSCTMLM-IBGZPJMESA-N 1 3 392.613 3.552 20 0 GHADHO O=c1c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cccn1C(F)F ZINC001119244636 934318252 /nfs/dbraw/zinc/31/82/52/934318252.db2.gz HTYPDCXTUIKVGG-IHWFROFDSA-N 1 3 387.474 3.919 20 0 GHADHO CCCCN(CC)[C@H](C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)c1ccccc1 ZINC001220788951 1032122864 /nfs/dbraw/zinc/12/28/64/1032122864.db2.gz HMHAYEQNCIKESA-ZRBLBEILSA-N 1 3 394.563 3.712 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc([C@H]2CCCN2)n1 ZINC001221012822 1032236795 /nfs/dbraw/zinc/23/67/95/1032236795.db2.gz CEKVIUWQOZPREK-IEBWSBKVSA-N 1 3 398.576 3.598 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc([C@H]2CCCN2)n1 ZINC001221012822 1032236805 /nfs/dbraw/zinc/23/68/05/1032236805.db2.gz CEKVIUWQOZPREK-IEBWSBKVSA-N 1 3 398.576 3.598 20 0 GHADHO C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@]1(C)CCCN(C)C1 ZINC001221241081 1032345714 /nfs/dbraw/zinc/34/57/14/1032345714.db2.gz NHUWEZSHGIRTEG-QXWFJRNPSA-N 1 3 393.575 3.850 20 0 GHADHO CCOc1cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1OC ZINC001204187898 1032643071 /nfs/dbraw/zinc/64/30/71/1032643071.db2.gz UGIIWOBWPUJUSG-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO CCOc1cc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1OC ZINC001204187898 1032643078 /nfs/dbraw/zinc/64/30/78/1032643078.db2.gz UGIIWOBWPUJUSG-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO CC(C)[C@@H](CNC(=O)c1ccccc1CN(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000558909386 1017313896 /nfs/dbraw/zinc/31/38/96/1017313896.db2.gz WZDPKELWDKRJSB-HSZRJFAPSA-N 1 3 379.548 3.561 20 0 GHADHO CC(C)[C@@H](CNC(=O)c1ccccc1CN(C)C)[N@H+]1CCc2ccccc2C1 ZINC000558909386 1017313910 /nfs/dbraw/zinc/31/39/10/1017313910.db2.gz WZDPKELWDKRJSB-HSZRJFAPSA-N 1 3 379.548 3.561 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)cc3OC(C)C)CC2)CC1 ZINC000563389906 1018909312 /nfs/dbraw/zinc/90/93/12/1018909312.db2.gz KCFUFEUWGQKEEC-UHFFFAOYSA-N 1 3 391.531 3.748 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3Cc3ccc(C)cc3)CC2)CC1 ZINC000567364653 1019285791 /nfs/dbraw/zinc/28/57/91/1019285791.db2.gz QOYZTTJCOHMENN-XMMPIXPASA-N 1 3 397.607 3.725 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000574439457 1019876666 /nfs/dbraw/zinc/87/66/66/1019876666.db2.gz UJJJWRPBAFMMFW-UHFFFAOYSA-N 1 3 398.595 3.845 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000578319562 1020343649 /nfs/dbraw/zinc/34/36/49/1020343649.db2.gz QIKMSSFRNGXDCY-MBSDFSHPSA-N 1 3 377.532 3.564 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000578319562 1020343667 /nfs/dbraw/zinc/34/36/67/1020343667.db2.gz QIKMSSFRNGXDCY-MBSDFSHPSA-N 1 3 377.532 3.564 20 0 GHADHO O[C@@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439870 1020791788 /nfs/dbraw/zinc/79/17/88/1020791788.db2.gz YVVNJWSKWYBOAE-AGDMDRQQSA-N 1 3 376.544 3.996 20 0 GHADHO O[C@@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439870 1020791795 /nfs/dbraw/zinc/79/17/95/1020791795.db2.gz YVVNJWSKWYBOAE-AGDMDRQQSA-N 1 3 376.544 3.996 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000638271737 1021038561 /nfs/dbraw/zinc/03/85/61/1021038561.db2.gz SMAHUSVLVAGLEK-UPVQGACJSA-N 1 3 387.531 3.784 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000638271737 1021038569 /nfs/dbraw/zinc/03/85/69/1021038569.db2.gz SMAHUSVLVAGLEK-UPVQGACJSA-N 1 3 387.531 3.784 20 0 GHADHO C[C@@H]1C[C@@H]1c1noc(CC2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC000651954756 1021212770 /nfs/dbraw/zinc/21/27/70/1021212770.db2.gz TXNAKWQMKGOIIS-UTKZUKDTSA-N 1 3 398.551 3.588 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000834578348 1021279366 /nfs/dbraw/zinc/27/93/66/1021279366.db2.gz MBWJIQOTIAAGIK-OLKYXYMISA-N 1 3 380.532 3.761 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000834578348 1021279377 /nfs/dbraw/zinc/27/93/77/1021279377.db2.gz MBWJIQOTIAAGIK-OLKYXYMISA-N 1 3 380.532 3.761 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cn(C)nc4C)CC3)CC2)c1 ZINC001204581122 1032983515 /nfs/dbraw/zinc/98/35/15/1032983515.db2.gz TYLWKWMBSSZWRM-UHFFFAOYSA-N 1 3 382.552 3.615 20 0 GHADHO CN1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)[C@H]1c1ccccc1 ZINC000677583216 1021852809 /nfs/dbraw/zinc/85/28/09/1021852809.db2.gz ANKFMCCQMSZARV-DHIUTWEWSA-N 1 3 398.595 3.729 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccc(O)c(C)c1)CC2 ZINC001140577980 1021997401 /nfs/dbraw/zinc/99/74/01/1021997401.db2.gz TXRJUVCUQMIRNI-QFIPXVFZSA-N 1 3 395.547 3.599 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)Nc1ccccc1 ZINC000679722141 1022044338 /nfs/dbraw/zinc/04/43/38/1022044338.db2.gz WCOGHRQELRLZSV-MDNUFGMLSA-N 1 3 377.532 3.906 20 0 GHADHO CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001140619196 1022086182 /nfs/dbraw/zinc/08/61/82/1022086182.db2.gz OYQRXOVHDMCTQV-RUZDIDTESA-N 1 3 391.559 3.923 20 0 GHADHO CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001140619196 1022086202 /nfs/dbraw/zinc/08/62/02/1022086202.db2.gz OYQRXOVHDMCTQV-RUZDIDTESA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H](CN1CC[C@@H](Cc2ccncc2)C1)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680888966 1022241934 /nfs/dbraw/zinc/24/19/34/1022241934.db2.gz MMZSOLWFGVGETN-LQLSTCSOSA-N 1 3 378.564 3.542 20 0 GHADHO C[C@H](CN1CC[C@@H](Cc2ccncc2)C1)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680888966 1022241953 /nfs/dbraw/zinc/24/19/53/1022241953.db2.gz MMZSOLWFGVGETN-LQLSTCSOSA-N 1 3 378.564 3.542 20 0 GHADHO C[C@@H](CN1CC[C@H](Cc2ccncc2)C1)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680888966 1022241956 /nfs/dbraw/zinc/24/19/56/1022241956.db2.gz MMZSOLWFGVGETN-LQLSTCSOSA-N 1 3 378.564 3.542 20 0 GHADHO C[C@@H](CN1CC[C@H](Cc2ccncc2)C1)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680888966 1022241966 /nfs/dbraw/zinc/24/19/66/1022241966.db2.gz MMZSOLWFGVGETN-LQLSTCSOSA-N 1 3 378.564 3.542 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1c[nH]nc1C(F)(F)F)CC2 ZINC001141014397 1023211380 /nfs/dbraw/zinc/21/13/80/1023211380.db2.gz KZQUJOYSLUAOOO-INIZCTEOSA-N 1 3 382.430 3.898 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1c[nH]nc1C(F)(F)F)CC2 ZINC001141014397 1023211387 /nfs/dbraw/zinc/21/13/87/1023211387.db2.gz KZQUJOYSLUAOOO-INIZCTEOSA-N 1 3 382.430 3.898 20 0 GHADHO COc1cc2cccnc2c(N(c2ncc(C)cc2CN)[C@@H](C)CCC[NH3+])c1 ZINC001156758033 1033225840 /nfs/dbraw/zinc/22/58/40/1033225840.db2.gz ZOLXVRPRSRQOFM-INIZCTEOSA-N 1 3 379.508 3.671 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578905 1025057992 /nfs/dbraw/zinc/05/79/92/1025057992.db2.gz FHDMUYHZUDHTOG-JRGCBEDISA-N 1 3 381.568 3.835 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578905 1025058003 /nfs/dbraw/zinc/05/80/03/1025058003.db2.gz FHDMUYHZUDHTOG-JRGCBEDISA-N 1 3 381.568 3.835 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738809 1025276852 /nfs/dbraw/zinc/27/68/52/1025276852.db2.gz DCRRPIVLBUKWGP-CEMLEFRQSA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738809 1025276863 /nfs/dbraw/zinc/27/68/63/1025276863.db2.gz DCRRPIVLBUKWGP-CEMLEFRQSA-N 1 3 375.520 3.690 20 0 GHADHO COc1ccccc1OC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138773163 1025344019 /nfs/dbraw/zinc/34/40/19/1025344019.db2.gz TXBQHPBHXCKLRE-UHFFFAOYSA-N 1 3 384.520 3.679 20 0 GHADHO CC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139512663 1026365947 /nfs/dbraw/zinc/36/59/47/1026365947.db2.gz DUMIZNIYBRNVKO-HSZRJFAPSA-N 1 3 391.559 3.810 20 0 GHADHO CC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139512663 1026365950 /nfs/dbraw/zinc/36/59/50/1026365950.db2.gz DUMIZNIYBRNVKO-HSZRJFAPSA-N 1 3 391.559 3.810 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccncc1Cl)CC2 ZINC001139848245 1026666953 /nfs/dbraw/zinc/66/69/53/1026666953.db2.gz DXZWULSMUCADQK-HXUWFJFHSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccncc1Cl)CC2 ZINC001139848245 1026666960 /nfs/dbraw/zinc/66/69/60/1026666960.db2.gz DXZWULSMUCADQK-HXUWFJFHSA-N 1 3 385.939 3.991 20 0 GHADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCCc3ccccc3C2)c1 ZINC001461138520 1069409156 /nfs/dbraw/zinc/40/91/56/1069409156.db2.gz BSTUMUAAVIMGDC-QHCPKHFHSA-N 1 3 382.548 3.681 20 0 GHADHO COc1ccc2[nH]nc(CN3CCC4(C[NH+](Cc5ccccc5)C4)CC3)c2c1 ZINC001140069047 1026848815 /nfs/dbraw/zinc/84/88/15/1026848815.db2.gz HOPYYHCKNANYRU-UHFFFAOYSA-N 1 3 376.504 3.670 20 0 GHADHO COc1ccc2n[nH]c(CN3CCC4(C[NH+](Cc5ccccc5)C4)CC3)c2c1 ZINC001140069047 1026848818 /nfs/dbraw/zinc/84/88/18/1026848818.db2.gz HOPYYHCKNANYRU-UHFFFAOYSA-N 1 3 376.504 3.670 20 0 GHADHO COc1ccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1OC ZINC001203838147 1027647420 /nfs/dbraw/zinc/64/74/20/1027647420.db2.gz MXMIKCFTYRPJSS-UHFFFAOYSA-N 1 3 381.520 3.587 20 0 GHADHO COc1ccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1OC ZINC001203838147 1027647423 /nfs/dbraw/zinc/64/74/23/1027647423.db2.gz MXMIKCFTYRPJSS-UHFFFAOYSA-N 1 3 381.520 3.587 20 0 GHADHO COc1cc(Br)c(CNC2CCC(C)([NH+]3CCC3)CC2)cc1OC ZINC001203918500 1027706875 /nfs/dbraw/zinc/70/68/75/1027706875.db2.gz WXKIIMYUIQZVPD-UHFFFAOYSA-N 1 3 397.357 3.963 20 0 GHADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001203983748 1027781319 /nfs/dbraw/zinc/78/13/19/1027781319.db2.gz IRCHEMUSLGNXIA-GPXNEJASSA-N 1 3 389.547 3.805 20 0 GHADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001203983748 1027781341 /nfs/dbraw/zinc/78/13/41/1027781341.db2.gz IRCHEMUSLGNXIA-GPXNEJASSA-N 1 3 389.547 3.805 20 0 GHADHO COc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1O ZINC001204126683 1027898213 /nfs/dbraw/zinc/89/82/13/1027898213.db2.gz LMHJCGDUVBPTAA-NHCUHLMSSA-N 1 3 396.531 3.753 20 0 GHADHO COc1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1O ZINC001204126683 1027898230 /nfs/dbraw/zinc/89/82/30/1027898230.db2.gz LMHJCGDUVBPTAA-NHCUHLMSSA-N 1 3 396.531 3.753 20 0 GHADHO CCOC(=O)c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001142587684 1029112328 /nfs/dbraw/zinc/11/23/28/1029112328.db2.gz YZRWJWRANRICJQ-ZRZAMGCNSA-N 1 3 378.516 3.736 20 0 GHADHO CCOC(=O)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001142587684 1029112339 /nfs/dbraw/zinc/11/23/39/1029112339.db2.gz YZRWJWRANRICJQ-ZRZAMGCNSA-N 1 3 378.516 3.736 20 0 GHADHO COc1ccc([C@@H](CN)C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000842471810 1029313274 /nfs/dbraw/zinc/31/32/74/1029313274.db2.gz BBVIVVPRRADXQC-UGKGYDQZSA-N 1 3 388.939 3.837 20 0 GHADHO C[C@](O)(CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679366 1029484659 /nfs/dbraw/zinc/48/46/59/1029484659.db2.gz LYRJAVXREZZHOI-KNQAVFIVSA-N 1 3 386.486 3.959 20 0 GHADHO C[C@](O)(CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679366 1029484668 /nfs/dbraw/zinc/48/46/68/1029484668.db2.gz LYRJAVXREZZHOI-KNQAVFIVSA-N 1 3 386.486 3.959 20 0 GHADHO CCOC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3c(C)cc(OC)cc3C)CC2)C1 ZINC001142933669 1029713891 /nfs/dbraw/zinc/71/38/91/1029713891.db2.gz ZEPAAMZVMLZOIJ-LJQANCHMSA-N 1 3 388.552 3.552 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccn3ccnc13)CC2 ZINC001142952087 1029727776 /nfs/dbraw/zinc/72/77/76/1029727776.db2.gz FSNUPTMSQDDRKU-JOCHJYFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccn3ccnc13)CC2 ZINC001142952087 1029727783 /nfs/dbraw/zinc/72/77/83/1029727783.db2.gz FSNUPTMSQDDRKU-JOCHJYFZSA-N 1 3 390.531 3.590 20 0 GHADHO CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3CNCc4ccccc43)n2)cc1 ZINC000843200002 1029845522 /nfs/dbraw/zinc/84/55/22/1029845522.db2.gz GIQCRFUVWKAQLC-NRFANRHFSA-N 1 3 392.503 3.692 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000843312719 1029907804 /nfs/dbraw/zinc/90/78/04/1029907804.db2.gz INZWYISTCQSVIR-RBBKRZOGSA-N 1 3 378.520 3.896 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(CN2CCCC3(CCCC[NH2+]C3)CCC2)c1C ZINC001222113586 1029968818 /nfs/dbraw/zinc/96/88/18/1029968818.db2.gz LVGUKRCBSHEMPP-UHFFFAOYSA-N 1 3 375.557 3.944 20 0 GHADHO CCCCN(CC)[C@H](C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1)c1ccccc1 ZINC001219787566 1031619423 /nfs/dbraw/zinc/61/94/23/1031619423.db2.gz GWLCSFKXKDGWBT-OFNKIYASSA-N 1 3 396.579 3.577 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001219999249 1031738490 /nfs/dbraw/zinc/73/84/90/1031738490.db2.gz OCUDOCLIPNYGSY-DEOSSOPVSA-N 1 3 391.559 3.796 20 0 GHADHO O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001220162122 1031809318 /nfs/dbraw/zinc/80/93/18/1031809318.db2.gz HRNGPYPHBYTGKK-SYYKKAFVSA-N 1 3 389.971 3.591 20 0 GHADHO C[NH+]1C(C)(C)CC(NC(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)CC1(C)C ZINC001220510760 1031970899 /nfs/dbraw/zinc/97/08/99/1031970899.db2.gz KURHAZBGSLXNHX-IBGZPJMESA-N 1 3 389.584 3.501 20 0 GHADHO FC(F)(F)Oc1ccccc1OC1CCN(CC2(F)CC[NH2+]CC2)CC1 ZINC001205339919 1033368912 /nfs/dbraw/zinc/36/89/12/1033368912.db2.gz NVVNNMRPWLAISJ-UHFFFAOYSA-N 1 3 376.394 3.520 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001229587767 1033574606 /nfs/dbraw/zinc/57/46/06/1033574606.db2.gz CKFPRVWLRBBQIX-PTUXOGIPSA-N 1 3 398.595 3.746 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001229587767 1033574611 /nfs/dbraw/zinc/57/46/11/1033574611.db2.gz CKFPRVWLRBBQIX-PTUXOGIPSA-N 1 3 398.595 3.746 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206013143 1033685545 /nfs/dbraw/zinc/68/55/45/1033685545.db2.gz PQVJBMKNWUEVEX-KBPBESRZSA-N 1 3 377.916 3.805 20 0 GHADHO N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@@H]1F ZINC001206197809 1033761853 /nfs/dbraw/zinc/76/18/53/1033761853.db2.gz JKXDDDUKRFPZNJ-JKSUJKDBSA-N 1 3 383.389 3.908 20 0 GHADHO N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@@H]1F ZINC001206197809 1033761870 /nfs/dbraw/zinc/76/18/70/1033761870.db2.gz JKXDDDUKRFPZNJ-JKSUJKDBSA-N 1 3 383.389 3.908 20 0 GHADHO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(C)c1 ZINC001206776451 1033978570 /nfs/dbraw/zinc/97/85/70/1033978570.db2.gz BICULTDWIZFANI-QHCPKHFHSA-N 1 3 383.536 3.892 20 0 GHADHO COc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(C)c1 ZINC001206776451 1033978578 /nfs/dbraw/zinc/97/85/78/1033978578.db2.gz BICULTDWIZFANI-QHCPKHFHSA-N 1 3 383.536 3.892 20 0 GHADHO C[NH+]1CCC(N(Cc2ccc(F)cc2)c2cc(Cl)nc3c2CCNC3)CC1 ZINC001158448989 1034083607 /nfs/dbraw/zinc/08/36/07/1034083607.db2.gz LLLSUBYZXXCQJF-UHFFFAOYSA-N 1 3 388.918 3.621 20 0 GHADHO CN1CCC(N(c2ncnc3cc(C(C)(C)C)sc32)C2CC[NH2+]CC2)CC1 ZINC001158575919 1034161861 /nfs/dbraw/zinc/16/18/61/1034161861.db2.gz ZAKSAGBRXLHIES-UHFFFAOYSA-N 1 3 387.597 3.641 20 0 GHADHO Cc1ccc(C[N@H+]2C[C@H]3CN(C[C@@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211102 1034178553 /nfs/dbraw/zinc/17/85/53/1034178553.db2.gz ZSGQMNVSAWFVPB-FDFHNCONSA-N 1 3 399.579 3.616 20 0 GHADHO Cc1ccc(C[N@@H+]2C[C@H]3CN(C[C@@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211102 1034178558 /nfs/dbraw/zinc/17/85/58/1034178558.db2.gz ZSGQMNVSAWFVPB-FDFHNCONSA-N 1 3 399.579 3.616 20 0 GHADHO Fc1ccc(N2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1F ZINC001207287225 1034239456 /nfs/dbraw/zinc/23/94/56/1034239456.db2.gz QQKWFMNSHMVHLX-UHFFFAOYSA-N 1 3 385.502 3.999 20 0 GHADHO COc1cccc(CC[NH+]2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC001207427863 1034364209 /nfs/dbraw/zinc/36/42/09/1034364209.db2.gz IFPBAFJKYJUBMH-HSZRJFAPSA-N 1 3 394.559 3.993 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1ccc(F)cc1)CC2 ZINC001207512471 1034417821 /nfs/dbraw/zinc/41/78/21/1034417821.db2.gz RAIVUVDETFXNJZ-HSZRJFAPSA-N 1 3 397.538 3.766 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770288 1034567088 /nfs/dbraw/zinc/56/70/88/1034567088.db2.gz SZBGTKNLIQWLCG-FCHUYYIVSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CC[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770288 1034567101 /nfs/dbraw/zinc/56/71/01/1034567101.db2.gz SZBGTKNLIQWLCG-FCHUYYIVSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CCN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770288 1034567108 /nfs/dbraw/zinc/56/71/08/1034567108.db2.gz SZBGTKNLIQWLCG-FCHUYYIVSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CCN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770288 1034567115 /nfs/dbraw/zinc/56/71/15/1034567115.db2.gz SZBGTKNLIQWLCG-FCHUYYIVSA-N 1 3 399.579 3.697 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nccc4c5c([nH]c43)CCC5)c3ccccc23)CC1 ZINC001159467021 1034610056 /nfs/dbraw/zinc/61/00/56/1034610056.db2.gz KXLNRESBNOJEOV-UHFFFAOYSA-N 1 3 399.542 3.961 20 0 GHADHO CN(C)CC1(C[NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)CCCC1 ZINC001208187461 1034785486 /nfs/dbraw/zinc/78/54/86/1034785486.db2.gz LKAYORYYYHCMED-UHFFFAOYSA-N 1 3 376.928 3.924 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1cccc(F)c1)CC2 ZINC001208198208 1034792446 /nfs/dbraw/zinc/79/24/46/1034792446.db2.gz YAUZSMLLPFWEKO-QHCPKHFHSA-N 1 3 397.538 3.766 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3cc[nH]c3cn1)CC2 ZINC001231666340 1034821112 /nfs/dbraw/zinc/82/11/12/1034821112.db2.gz UBRBOXMZTNVTML-IBGZPJMESA-N 1 3 396.560 3.880 20 0 GHADHO O=C([C@@H]1CCCC[NH2+]C1)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160680215 1035033747 /nfs/dbraw/zinc/03/37/47/1035033747.db2.gz RONNZEKQLVXPOU-DNQXCXABSA-N 1 3 391.559 3.679 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208941604 1035112233 /nfs/dbraw/zinc/11/22/33/1035112233.db2.gz MRBBLHAVFGLFFP-YPAWHYETSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208941604 1035112247 /nfs/dbraw/zinc/11/22/47/1035112247.db2.gz MRBBLHAVFGLFFP-YPAWHYETSA-N 1 3 399.579 3.840 20 0 GHADHO C[C@@H]1CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948398 1035118400 /nfs/dbraw/zinc/11/84/00/1035118400.db2.gz PSYWAXLSMNJOBX-HMXCVIKNSA-N 1 3 387.568 3.744 20 0 GHADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948398 1035118401 /nfs/dbraw/zinc/11/84/01/1035118401.db2.gz PSYWAXLSMNJOBX-HMXCVIKNSA-N 1 3 387.568 3.744 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CC1 ZINC001209011221 1035149583 /nfs/dbraw/zinc/14/95/83/1035149583.db2.gz NMVXIURWBFAXFC-HZCBDIJESA-N 1 3 384.564 3.954 20 0 GHADHO CN(C)CCN(C(=O)c1ccc2c(c1)C(C)(C)c1ccccc1-2)[C@H]1CCC[NH2+]C1 ZINC001161450295 1035233594 /nfs/dbraw/zinc/23/35/94/1035233594.db2.gz DCIOVNUCLJVCAH-IBGZPJMESA-N 1 3 391.559 3.749 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCOc1ccccc1)CC2 ZINC001209296930 1035233990 /nfs/dbraw/zinc/23/39/90/1035233990.db2.gz MAYODAVCASJQQF-LJQANCHMSA-N 1 3 386.561 3.882 20 0 GHADHO C[C@@H]1CC(C[N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C[C@@H](C)O1 ZINC001209383594 1035264578 /nfs/dbraw/zinc/26/45/78/1035264578.db2.gz XHHJYEGBIBGEHZ-VSQYNUGQSA-N 1 3 390.612 3.651 20 0 GHADHO C[C@@H]1CC(C[N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C[C@@H](C)O1 ZINC001209383594 1035264583 /nfs/dbraw/zinc/26/45/83/1035264583.db2.gz XHHJYEGBIBGEHZ-VSQYNUGQSA-N 1 3 390.612 3.651 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001246060565 1037173973 /nfs/dbraw/zinc/17/39/73/1037173973.db2.gz GKHVIWCPCVZVIU-SLFFLAALSA-N 1 3 394.437 3.653 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001246060565 1037173982 /nfs/dbraw/zinc/17/39/82/1037173982.db2.gz GKHVIWCPCVZVIU-SLFFLAALSA-N 1 3 394.437 3.653 20 0 GHADHO Fc1cc(Br)c(F)c(CN[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c1F ZINC001246080201 1037188115 /nfs/dbraw/zinc/18/81/15/1037188115.db2.gz FVCQMDDLOKNOEF-HWPZZCPQSA-N 1 3 377.248 3.878 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2ccc(OC)cc2)CCNCC1 ZINC001246378483 1037337682 /nfs/dbraw/zinc/33/76/82/1037337682.db2.gz RAQBIGXUYKSLRQ-FQEVSTJZSA-N 1 3 396.531 3.700 20 0 GHADHO C[C@@H]1C[C@H](NC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246392207 1037352402 /nfs/dbraw/zinc/35/24/02/1037352402.db2.gz RALCQIZAUGFJKT-XXBNENTESA-N 1 3 381.539 3.743 20 0 GHADHO Fc1ccc(CC2([NH2+]C3CCN(c4cccc(F)c4)CC3)CCNCC2)cc1 ZINC001246394404 1037354642 /nfs/dbraw/zinc/35/46/42/1037354642.db2.gz YKKSUCIGRDQKNQ-UHFFFAOYSA-N 1 3 385.502 3.888 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246427410 1037384036 /nfs/dbraw/zinc/38/40/36/1037384036.db2.gz GAVUQLXINUNFOE-WMZOPIPTSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246427410 1037384057 /nfs/dbraw/zinc/38/40/57/1037384057.db2.gz GAVUQLXINUNFOE-WMZOPIPTSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@H]1CCC[C@H](NC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246428707 1037386968 /nfs/dbraw/zinc/38/69/68/1037386968.db2.gz BUPRWPQIKVBVFE-WMZOPIPTSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCNCC2)C1 ZINC001246428707 1037386995 /nfs/dbraw/zinc/38/69/95/1037386995.db2.gz BUPRWPQIKVBVFE-WMZOPIPTSA-N 1 3 398.469 3.692 20 0 GHADHO FC(F)(F)c1ccccc1C1([NH2+][C@@H]2CCN[C@@H](C(F)(F)F)C2)CCNCC1 ZINC001246453513 1037413275 /nfs/dbraw/zinc/41/32/75/1037413275.db2.gz WMYOZDPOWOOPRG-IUODEOHRSA-N 1 3 395.391 3.557 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H](NC2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CC1 ZINC001246453546 1037413853 /nfs/dbraw/zinc/41/38/53/1037413853.db2.gz XBCJMCZWHIEVOC-JKSUJKDBSA-N 1 3 398.469 3.996 20 0 GHADHO CC(C)(C)OC(=O)COc1ccc(CCN[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246484824 1037430442 /nfs/dbraw/zinc/43/04/42/1037430442.db2.gz RPWVPNCACVFKRM-AZUAARDMSA-N 1 3 390.568 3.706 20 0 GHADHO CCOC(=O)CC[C@H](C)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617824 1037507926 /nfs/dbraw/zinc/50/79/26/1037507926.db2.gz GWUWRWKVRWLAOV-FPOVZHCZSA-N 1 3 388.552 3.522 20 0 GHADHO CCOC(=O)CC[C@H](C)[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617824 1037507951 /nfs/dbraw/zinc/50/79/51/1037507951.db2.gz GWUWRWKVRWLAOV-FPOVZHCZSA-N 1 3 388.552 3.522 20 0 GHADHO CCOC(=O)CC[C@H](C)[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617824 1037507975 /nfs/dbraw/zinc/50/79/75/1037507975.db2.gz GWUWRWKVRWLAOV-FPOVZHCZSA-N 1 3 388.552 3.522 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001462192906 1070070895 /nfs/dbraw/zinc/07/08/95/1070070895.db2.gz QSDUYCLUEZDZCW-QGZVFWFLSA-N 1 3 385.499 3.729 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246686609 1037548007 /nfs/dbraw/zinc/54/80/07/1037548007.db2.gz RZQVBNMWWUMXFW-NIDLKEISSA-N 1 3 392.543 3.873 20 0 GHADHO C[C@@H]1C[C@H]([NH+]2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)CCN1 ZINC001246753131 1037592271 /nfs/dbraw/zinc/59/22/71/1037592271.db2.gz GMIRWUYDRKSKPG-SFHLNBCPSA-N 1 3 395.591 3.707 20 0 GHADHO C[C@@H]1C[C@H](N2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)CC[NH2+]1 ZINC001246753131 1037592287 /nfs/dbraw/zinc/59/22/87/1037592287.db2.gz GMIRWUYDRKSKPG-SFHLNBCPSA-N 1 3 395.591 3.707 20 0 GHADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN([C@@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C1)C2 ZINC001246882144 1037696301 /nfs/dbraw/zinc/69/63/01/1037696301.db2.gz WVRSKXGGFMXIKY-XQWURTRYSA-N 1 3 384.564 3.891 20 0 GHADHO O=C(c1ccc(Cl)cc1Cl)N1CCN([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246892034 1037709328 /nfs/dbraw/zinc/70/93/28/1037709328.db2.gz OTZJQSQODSPDMK-OXQOHEQNSA-N 1 3 396.362 3.674 20 0 GHADHO CC[C@H]1CN(Cc2ccccc2)CCN1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246913041 1037720563 /nfs/dbraw/zinc/72/05/63/1037720563.db2.gz JLXXTMBTQDLKPL-SDHOMARFSA-N 1 3 377.576 3.946 20 0 GHADHO COc1cc(C[C@H](C)[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc(OC)c1OC ZINC001246937824 1037743879 /nfs/dbraw/zinc/74/38/79/1037743879.db2.gz MVXWKFWDOAXAMK-ROUUACIJSA-N 1 3 390.568 3.888 20 0 GHADHO COc1cc(C[C@H](C)[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc(OC)c1OC ZINC001246937824 1037743900 /nfs/dbraw/zinc/74/39/00/1037743900.db2.gz MVXWKFWDOAXAMK-ROUUACIJSA-N 1 3 390.568 3.888 20 0 GHADHO CN1CCC([N@H+](C2CCNCC2)C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001246996265 1037822108 /nfs/dbraw/zinc/82/21/08/1037822108.db2.gz XDGLZHXGZBRVEM-UHFFFAOYSA-N 1 3 381.608 3.961 20 0 GHADHO CN1CCC([N@@H+](C2CCNCC2)C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001246996265 1037822131 /nfs/dbraw/zinc/82/21/31/1037822131.db2.gz XDGLZHXGZBRVEM-UHFFFAOYSA-N 1 3 381.608 3.961 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[C@H](N3CCCCC3)[C@@H](F)C2)CC[NH2+]1 ZINC001247014458 1037837017 /nfs/dbraw/zinc/83/70/17/1037837017.db2.gz DBBJABWDPIUVOA-GBAJDQEWSA-N 1 3 377.523 3.826 20 0 GHADHO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001462219525 1070094268 /nfs/dbraw/zinc/09/42/68/1070094268.db2.gz KKTYTNGTEZQYKK-NMVJMZGASA-N 1 3 399.623 3.720 20 0 GHADHO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001462219525 1070094255 /nfs/dbraw/zinc/09/42/55/1070094255.db2.gz KKTYTNGTEZQYKK-NMVJMZGASA-N 1 3 399.623 3.720 20 0 GHADHO CCCCc1ccc(-c2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cc2)cc1 ZINC001247849940 1038424416 /nfs/dbraw/zinc/42/44/16/1038424416.db2.gz FEKDNAMVVUAIAS-UHFFFAOYSA-N 1 3 388.515 3.807 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cncc4cnccc43)C[C@H]21 ZINC001232651807 1038443260 /nfs/dbraw/zinc/44/32/60/1038443260.db2.gz WKYQUMVPKKYRKG-DQMJNTIXSA-N 1 3 387.531 3.757 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cncc4cnccc43)C[C@H]21 ZINC001232651807 1038443262 /nfs/dbraw/zinc/44/32/62/1038443262.db2.gz WKYQUMVPKKYRKG-DQMJNTIXSA-N 1 3 387.531 3.757 20 0 GHADHO COC(=O)c1cc(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)ccn1 ZINC001232773410 1038547122 /nfs/dbraw/zinc/54/71/22/1038547122.db2.gz VIJOMGZLJGQIHE-UHFFFAOYSA-N 1 3 393.531 3.746 20 0 GHADHO Cc1cc(O)cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001232879912 1038653517 /nfs/dbraw/zinc/65/35/17/1038653517.db2.gz FKIXINYHYIAPSU-JOCHJYFZSA-N 1 3 380.532 3.956 20 0 GHADHO Cc1cc(O)cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001232879912 1038653593 /nfs/dbraw/zinc/65/35/93/1038653593.db2.gz FKIXINYHYIAPSU-JOCHJYFZSA-N 1 3 380.532 3.956 20 0 GHADHO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252289613 1038926671 /nfs/dbraw/zinc/92/66/71/1038926671.db2.gz ZNCIEXRGNJMZGP-LOSJGSFVSA-N 1 3 394.559 3.552 20 0 GHADHO O[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252289613 1038926673 /nfs/dbraw/zinc/92/66/73/1038926673.db2.gz ZNCIEXRGNJMZGP-LOSJGSFVSA-N 1 3 394.559 3.552 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccc3nccn31)CC2 ZINC001233362236 1039188943 /nfs/dbraw/zinc/18/89/43/1039188943.db2.gz UEGAHXBDSWHIHU-QFIPXVFZSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccc3nccn31)CC2 ZINC001233362236 1039188947 /nfs/dbraw/zinc/18/89/47/1039188947.db2.gz UEGAHXBDSWHIHU-QFIPXVFZSA-N 1 3 390.531 3.590 20 0 GHADHO Cc1ccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c(OCc2ccccc2)c1 ZINC001233641159 1039503370 /nfs/dbraw/zinc/50/33/70/1039503370.db2.gz YXCMIJYKSQCLAK-UHFFFAOYSA-N 1 3 393.575 3.786 20 0 GHADHO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001253830821 1039839038 /nfs/dbraw/zinc/83/90/38/1039839038.db2.gz RGAKBWKMWWCZES-UKILVPOCSA-N 1 3 394.559 3.723 20 0 GHADHO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001253830821 1039839058 /nfs/dbraw/zinc/83/90/58/1039839058.db2.gz RGAKBWKMWWCZES-UKILVPOCSA-N 1 3 394.559 3.723 20 0 GHADHO OC1(C[NH+]2CCC(Cc3ccccc3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254029714 1039963487 /nfs/dbraw/zinc/96/34/87/1039963487.db2.gz LUBWWZOLBHRLGY-UHFFFAOYSA-N 1 3 378.560 3.968 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+](Cc1cccc3c1ccn3C)CC2 ZINC001235020336 1040510596 /nfs/dbraw/zinc/51/05/96/1040510596.db2.gz SFDWVTWQNDXWBR-UHFFFAOYSA-N 1 3 375.516 3.824 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+](Cc1cccc3c1ccn3C)CC2 ZINC001235020336 1040510601 /nfs/dbraw/zinc/51/06/01/1040510601.db2.gz SFDWVTWQNDXWBR-UHFFFAOYSA-N 1 3 375.516 3.824 20 0 GHADHO CN1CC2(C1)CC[NH+]([C@H]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)CC2 ZINC001254752085 1040512693 /nfs/dbraw/zinc/51/26/93/1040512693.db2.gz CWVJFNMNIBIUCH-SFHVURJKSA-N 1 3 377.573 3.584 20 0 GHADHO COC(=O)c1ccc2c(CN3CCC4(CC3)C[NH2+]Cc3ccccc34)c[nH]c2c1 ZINC001235086937 1040575431 /nfs/dbraw/zinc/57/54/31/1040575431.db2.gz RTODFEYEMVZUQT-UHFFFAOYSA-N 1 3 389.499 3.592 20 0 GHADHO Cc1ccc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)cc1I ZINC001235153972 1040645189 /nfs/dbraw/zinc/64/51/89/1040645189.db2.gz GTSGNMJFIBECFE-GOSISDBHSA-N 1 3 398.332 3.954 20 0 GHADHO CC(C)Oc1cc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)cn1 ZINC001235156147 1040647792 /nfs/dbraw/zinc/64/77/92/1040647792.db2.gz NBWAQRRXUBKNJO-GOSISDBHSA-N 1 3 396.373 3.985 20 0 GHADHO CCOc1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1OCCCOC ZINC001235243133 1040724565 /nfs/dbraw/zinc/72/45/65/1040724565.db2.gz VZJNQXGZEOQOSU-OAQYLSRUSA-N 1 3 390.568 3.855 20 0 GHADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(Cc1cccc(Cl)c1F)C2 ZINC001235325073 1040794510 /nfs/dbraw/zinc/79/45/10/1040794510.db2.gz OVIHOCUFYXAKNU-LAUBAEHRSA-N 1 3 394.918 3.624 20 0 GHADHO c1ccc(CN2CC[C@H](N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001255112011 1040796331 /nfs/dbraw/zinc/79/63/31/1040796331.db2.gz HRMPUECUJXVCRT-DSITVLBTSA-N 1 3 375.560 3.857 20 0 GHADHO c1ccc(CN2CC[C@H](N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001255112011 1040796342 /nfs/dbraw/zinc/79/63/42/1040796342.db2.gz HRMPUECUJXVCRT-DSITVLBTSA-N 1 3 375.560 3.857 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cccc(OC4COC4)c2)C3)cc1 ZINC001255127501 1040820994 /nfs/dbraw/zinc/82/09/94/1040820994.db2.gz XSTHAVGGTHLZLH-KOUNCHBCSA-N 1 3 378.516 3.749 20 0 GHADHO COCC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC001255135271 1040835777 /nfs/dbraw/zinc/83/57/77/1040835777.db2.gz IFEFAQIMDJDYME-BKFWDETESA-N 1 3 376.544 3.956 20 0 GHADHO COCC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC001255135271 1040835790 /nfs/dbraw/zinc/83/57/90/1040835790.db2.gz IFEFAQIMDJDYME-BKFWDETESA-N 1 3 376.544 3.956 20 0 GHADHO COC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCCN(Cc3ccccc3)CC1)CC2 ZINC001255398931 1040985112 /nfs/dbraw/zinc/98/51/12/1040985112.db2.gz NBFLABURSUNRIX-JOCHJYFZSA-N 1 3 399.579 3.986 20 0 GHADHO O=C(NC1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1)N1CCCCC1 ZINC001255410247 1040999126 /nfs/dbraw/zinc/99/91/26/1040999126.db2.gz SESUZPXINFADSR-QHCPKHFHSA-N 1 3 398.595 3.701 20 0 GHADHO O=C(NC1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1)N1CCCCC1 ZINC001255410247 1040999128 /nfs/dbraw/zinc/99/91/28/1040999128.db2.gz SESUZPXINFADSR-QHCPKHFHSA-N 1 3 398.595 3.701 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCN(C2CCC(C)CC2)CC1 ZINC001235669313 1041126402 /nfs/dbraw/zinc/12/64/02/1041126402.db2.gz CHNZZYFAFVJKBF-UHFFFAOYSA-N 1 3 376.614 3.615 20 0 GHADHO CCCN(C(=O)NCC[N@@H+]1CCC[C@@H]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001256034211 1041485052 /nfs/dbraw/zinc/48/50/52/1041485052.db2.gz WSGFWYNBTMSPKT-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO CCCN(C(=O)NCC[N@H+]1CCC[C@@H]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001256034211 1041485062 /nfs/dbraw/zinc/48/50/62/1041485062.db2.gz WSGFWYNBTMSPKT-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001236097482 1041531770 /nfs/dbraw/zinc/53/17/70/1041531770.db2.gz KLKXQGMSKTYDIV-PZJWPPBQSA-N 1 3 384.545 3.705 20 0 GHADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001236097482 1041531787 /nfs/dbraw/zinc/53/17/87/1041531787.db2.gz KLKXQGMSKTYDIV-PZJWPPBQSA-N 1 3 384.545 3.705 20 0 GHADHO CC[NH+](CC)CCN1CCN([C@H](C)CCc2ccc(Br)cc2)CC1 ZINC001256221441 1041658193 /nfs/dbraw/zinc/65/81/93/1041658193.db2.gz BNIKVPXQLJANAO-GOSISDBHSA-N 1 3 396.417 3.730 20 0 GHADHO [NH3+]Cc1ccc(CN2CCC3(Cc4cc(Br)ccc4O3)CC2)cc1 ZINC001236302819 1041666255 /nfs/dbraw/zinc/66/62/55/1041666255.db2.gz HQCBKULOMUJEHZ-UHFFFAOYSA-N 1 3 387.321 3.878 20 0 GHADHO CC1(c2ccccc2)CCN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC1 ZINC001236434774 1041709430 /nfs/dbraw/zinc/70/94/30/1041709430.db2.gz VQOMLXJSWGHRCY-UHFFFAOYSA-N 1 3 389.547 3.750 20 0 GHADHO CC(C)(C)C[N@H+](Cc1cccc(I)c1)C1CCNCC1 ZINC001236458897 1041721332 /nfs/dbraw/zinc/72/13/32/1041721332.db2.gz ZWPDAYMVQQSVDK-UHFFFAOYSA-N 1 3 386.321 3.891 20 0 GHADHO CC(C)(C)C[N@@H+](Cc1cccc(I)c1)C1CCNCC1 ZINC001236458897 1041721339 /nfs/dbraw/zinc/72/13/39/1041721339.db2.gz ZWPDAYMVQQSVDK-UHFFFAOYSA-N 1 3 386.321 3.891 20 0 GHADHO CC(C)(C)CN(Cc1cccc(I)c1)C1CC[NH2+]CC1 ZINC001236458897 1041721343 /nfs/dbraw/zinc/72/13/43/1041721343.db2.gz ZWPDAYMVQQSVDK-UHFFFAOYSA-N 1 3 386.321 3.891 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462563798 1070369943 /nfs/dbraw/zinc/36/99/43/1070369943.db2.gz IYRICBWXXINVAS-HMXCVIKNSA-N 1 3 385.552 3.954 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462563798 1070369963 /nfs/dbraw/zinc/36/99/63/1070369963.db2.gz IYRICBWXXINVAS-HMXCVIKNSA-N 1 3 385.552 3.954 20 0 GHADHO [NH3+][C@@H]1CCN(C2CCN(Cc3ccc4ccccc4c3Br)CC2)C1 ZINC001236620939 1041787583 /nfs/dbraw/zinc/78/75/83/1041787583.db2.gz HIPIFODITDNQHH-QGZVFWFLSA-N 1 3 388.353 3.600 20 0 GHADHO CCCN(Cc1cc(C)c(I)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843601 1041925406 /nfs/dbraw/zinc/92/54/06/1041925406.db2.gz KWBFEWGXHARXPH-OAHLLOKOSA-N 1 3 386.321 3.730 20 0 GHADHO Cc1cccc(-c2ccc(CN3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)cn2)c1C ZINC001236980836 1041977116 /nfs/dbraw/zinc/97/71/16/1041977116.db2.gz BZNZNZTYABDJQH-BJKOFHAPSA-N 1 3 378.564 3.576 20 0 GHADHO Cc1cccc(-c2ccc(CN3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)cn2)c1C ZINC001236980836 1041977120 /nfs/dbraw/zinc/97/71/20/1041977120.db2.gz BZNZNZTYABDJQH-BJKOFHAPSA-N 1 3 378.564 3.576 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(-c2ccccc2Cl)nc1 ZINC001237021011 1041993798 /nfs/dbraw/zinc/99/37/98/1041993798.db2.gz MDAKKMNTPADTDA-FCHUYYIVSA-N 1 3 384.955 3.612 20 0 GHADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(-c2ccccc2Cl)nc1 ZINC001237021011 1041993801 /nfs/dbraw/zinc/99/38/01/1041993801.db2.gz MDAKKMNTPADTDA-FCHUYYIVSA-N 1 3 384.955 3.612 20 0 GHADHO OCCOc1ccccc1CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001237203079 1042089768 /nfs/dbraw/zinc/08/97/68/1042089768.db2.gz QTEGZFUOBJANQZ-UHFFFAOYSA-N 1 3 394.559 3.936 20 0 GHADHO CCc1cccc(C)c1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C(C)C)C1 ZINC001237326198 1042148626 /nfs/dbraw/zinc/14/86/26/1042148626.db2.gz HDOGWNKSWINIGZ-GIWBLDEGSA-N 1 3 381.568 3.522 20 0 GHADHO CCc1cccc(C)c1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C(C)C)C1 ZINC001237326198 1042148634 /nfs/dbraw/zinc/14/86/34/1042148634.db2.gz HDOGWNKSWINIGZ-GIWBLDEGSA-N 1 3 381.568 3.522 20 0 GHADHO CCOC(=O)[C@H]1CN(Cc2ccc(-c3ccc(Cl)cc3)o2)CCC12C[NH2+]C2 ZINC001237431402 1042205091 /nfs/dbraw/zinc/20/50/91/1042205091.db2.gz RXDCVXUNPLCNKR-GOSISDBHSA-N 1 3 388.895 3.575 20 0 GHADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001462597265 1070402554 /nfs/dbraw/zinc/40/25/54/1070402554.db2.gz YYFGFNJHIZKVDQ-RLLQIKCJSA-N 1 3 390.572 3.700 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256529955 1043462026 /nfs/dbraw/zinc/46/20/26/1043462026.db2.gz ZGYHDVBQWGJCJC-KIFXHHALSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256529955 1043462041 /nfs/dbraw/zinc/46/20/41/1043462041.db2.gz ZGYHDVBQWGJCJC-KIFXHHALSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@@H]1C[C@@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542627 1043496151 /nfs/dbraw/zinc/49/61/51/1043496151.db2.gz PNHBUOWCGIDFHS-PSWRPDDJSA-N 1 3 399.579 3.981 20 0 GHADHO C[C@@H]1C[C@@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542627 1043496155 /nfs/dbraw/zinc/49/61/55/1043496155.db2.gz PNHBUOWCGIDFHS-PSWRPDDJSA-N 1 3 399.579 3.981 20 0 GHADHO COc1cccc(CC2([NH3+])CCN([C@H]3CCc4c(cccc4OC)C3)CC2)c1 ZINC001256643066 1043589568 /nfs/dbraw/zinc/58/95/68/1043589568.db2.gz VIRXRJFGQWXYFF-FQEVSTJZSA-N 1 3 380.532 3.597 20 0 GHADHO FC(F)(F)c1cccnc1[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256685382 1043620658 /nfs/dbraw/zinc/62/06/58/1043620658.db2.gz DSACMOGPRBTUSD-LEOMRAHMSA-N 1 3 383.458 3.785 20 0 GHADHO N[C@@H](c1ccccc1)[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256685165 1043620744 /nfs/dbraw/zinc/62/07/44/1043620744.db2.gz YXMKIZGMAIHKRC-STTLMXHVSA-N 1 3 379.548 3.661 20 0 GHADHO FC(F)(F)c1cncc([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)c1 ZINC001256687593 1043623593 /nfs/dbraw/zinc/62/35/93/1043623593.db2.gz ZBELWQAPUUMBKO-CTWPCTMYSA-N 1 3 383.458 3.785 20 0 GHADHO c1ccc(Oc2ccc(CC[NH2+]C3CCC(N4CCOCC4)CC3)cn2)cc1 ZINC001256688005 1043624129 /nfs/dbraw/zinc/62/41/29/1043624129.db2.gz MMLKRCAJDCXNBQ-UHFFFAOYSA-N 1 3 381.520 3.649 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC001256788875 1043652422 /nfs/dbraw/zinc/65/24/22/1043652422.db2.gz BTPKNOMYYZNWOW-DQEYMECFSA-N 1 3 393.575 3.834 20 0 GHADHO NCc1cnnn1C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256926251 1043754937 /nfs/dbraw/zinc/75/49/37/1043754937.db2.gz VHQVFLWDZNNIHT-UHFFFAOYSA-N 1 3 375.520 3.923 20 0 GHADHO CC(C)[NH+]1CCC(N2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)CC1 ZINC001257219143 1043939660 /nfs/dbraw/zinc/93/96/60/1043939660.db2.gz ZIJVDSQNYHJVSG-HXUWFJFHSA-N 1 3 391.625 3.676 20 0 GHADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001293372023 1044140544 /nfs/dbraw/zinc/14/05/44/1044140544.db2.gz NTXHYEIWNAQECZ-HXUWFJFHSA-N 1 3 393.641 3.651 20 0 GHADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001293372023 1044140545 /nfs/dbraw/zinc/14/05/45/1044140545.db2.gz NTXHYEIWNAQECZ-HXUWFJFHSA-N 1 3 393.641 3.651 20 0 GHADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCCCN1C1CCCC1 ZINC001293372023 1044140547 /nfs/dbraw/zinc/14/05/47/1044140547.db2.gz NTXHYEIWNAQECZ-HXUWFJFHSA-N 1 3 393.641 3.651 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC1 ZINC001258012147 1044339873 /nfs/dbraw/zinc/33/98/73/1044339873.db2.gz PWGMLMNBMIAOLC-UHFFFAOYSA-N 1 3 382.527 3.804 20 0 GHADHO CC(C)CN1CCC([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC1 ZINC001258012147 1044339892 /nfs/dbraw/zinc/33/98/92/1044339892.db2.gz PWGMLMNBMIAOLC-UHFFFAOYSA-N 1 3 382.527 3.804 20 0 GHADHO COC(=O)[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001258149285 1044439367 /nfs/dbraw/zinc/43/93/67/1044439367.db2.gz HYPRODJVDQXKEP-BJKOFHAPSA-N 1 3 392.543 3.582 20 0 GHADHO O=C1CC[C@@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CCN1Cc1ccccc1 ZINC001258579025 1044654352 /nfs/dbraw/zinc/65/43/52/1044654352.db2.gz GRSYJHRDCXMETB-JTHBVZDNSA-N 1 3 395.591 3.978 20 0 GHADHO O=C1CC[C@H](N2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001258582199 1044657238 /nfs/dbraw/zinc/65/72/38/1044657238.db2.gz AITNRVWQXWPNTL-QHCPKHFHSA-N 1 3 395.591 3.908 20 0 GHADHO O=C1CC[C@H](N2CCC3(CCC[N@H+]3CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001258582199 1044657242 /nfs/dbraw/zinc/65/72/42/1044657242.db2.gz AITNRVWQXWPNTL-QHCPKHFHSA-N 1 3 395.591 3.908 20 0 GHADHO CCC[NH+]1CCC(N2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001258773911 1044759194 /nfs/dbraw/zinc/75/91/94/1044759194.db2.gz SAORABXYAKTRLL-NRFANRHFSA-N 1 3 375.582 3.551 20 0 GHADHO COc1cc(C[C@@H](C)N[C@H](CC[NH+](C)C)c2ccccc2)cc(OC)c1OC ZINC001258864168 1044804493 /nfs/dbraw/zinc/80/44/93/1044804493.db2.gz ZARYQTKCRVULQS-YLJYHZDGSA-N 1 3 386.536 3.926 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[C@H]1C ZINC000483778458 1045328986 /nfs/dbraw/zinc/32/89/86/1045328986.db2.gz WDJJKAQKJZNEOS-HJNYFJLDSA-N 1 3 386.584 3.555 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[C@H]1C ZINC000483778458 1045328995 /nfs/dbraw/zinc/32/89/95/1045328995.db2.gz WDJJKAQKJZNEOS-HJNYFJLDSA-N 1 3 386.584 3.555 20 0 GHADHO CC(C)CC[NH+]1CCC(CNCc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 ZINC001262363304 1046248415 /nfs/dbraw/zinc/24/84/15/1046248415.db2.gz OKWHEMLFVVWIOJ-UHFFFAOYSA-N 1 3 393.576 3.615 20 0 GHADHO Cc1ncsc1CN1CCC[C@@]2(CCC[N@@H+](CC(C)(C)CN(C)C)C2)C1 ZINC001279590464 1047858063 /nfs/dbraw/zinc/85/80/63/1047858063.db2.gz BWYWGOLPJCKTRH-OAQYLSRUSA-N 1 3 378.630 3.717 20 0 GHADHO Cc1ncsc1CN1CCC[C@@]2(CCC[N@H+](CC(C)(C)CN(C)C)C2)C1 ZINC001279590464 1047858071 /nfs/dbraw/zinc/85/80/71/1047858071.db2.gz BWYWGOLPJCKTRH-OAQYLSRUSA-N 1 3 378.630 3.717 20 0 GHADHO C[C@H](C(=O)OC(C)(C)C)N1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280216739 1048129235 /nfs/dbraw/zinc/12/92/35/1048129235.db2.gz GTOWMPNYBGDYRF-OAGGEKHMSA-N 1 3 378.479 3.703 20 0 GHADHO C[C@H](C(=O)OC(C)(C)C)N1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280216739 1048129247 /nfs/dbraw/zinc/12/92/47/1048129247.db2.gz GTOWMPNYBGDYRF-OAGGEKHMSA-N 1 3 378.479 3.703 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC001306181553 1048498906 /nfs/dbraw/zinc/49/89/06/1048498906.db2.gz GQVAXZIFARCIRB-QHCPKHFHSA-N 1 3 395.547 3.647 20 0 GHADHO CCCC(=O)NC[C@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001307445749 1049282282 /nfs/dbraw/zinc/28/22/82/1049282282.db2.gz IDVNGWUQLMGFNU-XMMPIXPASA-N 1 3 399.623 3.960 20 0 GHADHO CCCC(=O)NC[C@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001307445749 1049282298 /nfs/dbraw/zinc/28/22/98/1049282298.db2.gz IDVNGWUQLMGFNU-XMMPIXPASA-N 1 3 399.623 3.960 20 0 GHADHO C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1(c2ccccc2)CCCC1 ZINC001307693789 1049512445 /nfs/dbraw/zinc/51/24/45/1049512445.db2.gz XNZOKFWNLWHUOH-OFNKIYASSA-N 1 3 393.575 3.896 20 0 GHADHO CC1CC[NH+](CCCNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001308184614 1049904485 /nfs/dbraw/zinc/90/44/85/1049904485.db2.gz NRLYEYZKJXXSHD-HNNXBMFYSA-N 1 3 381.483 3.544 20 0 GHADHO CC1CCN(CCC[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001308184614 1049904488 /nfs/dbraw/zinc/90/44/88/1049904488.db2.gz NRLYEYZKJXXSHD-HNNXBMFYSA-N 1 3 381.483 3.544 20 0 GHADHO Cn1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c(-c2ccccc2)n1 ZINC001308267717 1049931896 /nfs/dbraw/zinc/93/18/96/1049931896.db2.gz UZXIFMCXKWLCQB-UHFFFAOYSA-N 1 3 390.531 3.852 20 0 GHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568456 1050012946 /nfs/dbraw/zinc/01/29/46/1050012946.db2.gz DYAODOJMYZTPGH-HIFRSBDPSA-N 1 3 383.330 3.540 20 0 GHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568456 1050012953 /nfs/dbraw/zinc/01/29/53/1050012953.db2.gz DYAODOJMYZTPGH-HIFRSBDPSA-N 1 3 383.330 3.540 20 0 GHADHO Cc1cccc(C(=O)N2CCC([NH2+][C@@H](C)[C@H]3CCCN(C4CCC4)C3)CC2)c1 ZINC001308681419 1050057873 /nfs/dbraw/zinc/05/78/73/1050057873.db2.gz QZBFFVHDORCWGO-FPOVZHCZSA-N 1 3 383.580 3.842 20 0 GHADHO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@@]1(C(C)(C)C)CCN(Cc3ccccc3)C1)C2 ZINC001308903901 1050152545 /nfs/dbraw/zinc/15/25/45/1050152545.db2.gz FXTBQSPMZWQPRB-SHBJFUFKSA-N 1 3 384.564 3.856 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3nc4cc(Br)ccc4o3)C[C@@H]2C1 ZINC001334356591 1051933520 /nfs/dbraw/zinc/93/35/20/1051933520.db2.gz NYUJWPQWANIBLV-KCQAQPDRSA-N 1 3 378.314 3.752 20 0 GHADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001312011931 1052527844 /nfs/dbraw/zinc/52/78/44/1052527844.db2.gz LNWVNAVYKZTDFQ-LEWJYISDSA-N 1 3 386.584 3.633 20 0 GHADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001312011931 1052527847 /nfs/dbraw/zinc/52/78/47/1052527847.db2.gz LNWVNAVYKZTDFQ-LEWJYISDSA-N 1 3 386.584 3.633 20 0 GHADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC001319500887 1055292450 /nfs/dbraw/zinc/29/24/50/1055292450.db2.gz ZUXZBYABZQSMSI-DHIUTWEWSA-N 1 3 383.580 3.540 20 0 GHADHO CN(C(=O)CN1CCCC2(CC[NH2+]CC2)C1)C(c1ccccc1)c1ccccc1 ZINC001326583696 1057516243 /nfs/dbraw/zinc/51/62/43/1057516243.db2.gz MFRUDYIUPHGNDG-UHFFFAOYSA-N 1 3 391.559 3.700 20 0 GHADHO CCN(CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1cccc(C)c1 ZINC000849054155 1057565813 /nfs/dbraw/zinc/56/58/13/1057565813.db2.gz KYFFYFYTZSUIRP-UHFFFAOYSA-N 1 3 393.579 3.600 20 0 GHADHO CCCOc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849060320 1057571309 /nfs/dbraw/zinc/57/13/09/1057571309.db2.gz RBYJTDFZKNKFBI-UHFFFAOYSA-N 1 3 380.536 3.754 20 0 GHADHO C[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)COCc1ccccc1 ZINC000849068621 1057579507 /nfs/dbraw/zinc/57/95/07/1057579507.db2.gz YLXRGWHFXBMTCD-FQEVSTJZSA-N 1 3 394.563 3.618 20 0 GHADHO [NH2+]=C(NCCc1ccc2ccccc2n1)NC1CCN(Cc2ccccc2)CC1 ZINC000849073983 1057582091 /nfs/dbraw/zinc/58/20/91/1057582091.db2.gz VBQZVCDMOJLFJI-UHFFFAOYSA-N 1 3 387.531 3.556 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccc(Cl)cc3)cc2)C1 ZINC001346845545 1061934831 /nfs/dbraw/zinc/93/48/31/1061934831.db2.gz AAMVZIBKISBZLN-NRFANRHFSA-N 1 3 396.922 3.587 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccc(Cl)cc3)cc2)C1 ZINC001346845545 1061934834 /nfs/dbraw/zinc/93/48/34/1061934834.db2.gz AAMVZIBKISBZLN-NRFANRHFSA-N 1 3 396.922 3.587 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001463763026 1064595391 /nfs/dbraw/zinc/59/53/91/1064595391.db2.gz NYSYISBFHIKDJX-DNQXCXABSA-N 1 3 393.575 3.880 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001463763026 1064595399 /nfs/dbraw/zinc/59/53/99/1064595399.db2.gz NYSYISBFHIKDJX-DNQXCXABSA-N 1 3 393.575 3.880 20 0 GHADHO Cn1ncc(NC(=O)OC(C)(C)C)c1CNC1CCC([NH+]2CCCCC2)CC1 ZINC001351998853 1064755709 /nfs/dbraw/zinc/75/57/09/1064755709.db2.gz CBVZMJHXXYBVSN-UHFFFAOYSA-N 1 3 391.560 3.654 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001464640177 1065128776 /nfs/dbraw/zinc/12/87/76/1065128776.db2.gz MBELOOJHCLNNFA-UHFFFAOYSA-N 1 3 387.955 3.648 20 0 GHADHO CN1CCC(N(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2)CC1 ZINC001357398962 1067083141 /nfs/dbraw/zinc/08/31/41/1067083141.db2.gz LQMHFXQEBXBMMJ-NRFANRHFSA-N 1 3 377.532 3.636 20 0 GHADHO CN1CCC(N(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)CC1 ZINC001357398962 1067083154 /nfs/dbraw/zinc/08/31/54/1067083154.db2.gz LQMHFXQEBXBMMJ-NRFANRHFSA-N 1 3 377.532 3.636 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC001357403477 1067084788 /nfs/dbraw/zinc/08/47/88/1067084788.db2.gz DIQLOYQMKKAXPE-APWZRJJASA-N 1 3 383.561 3.519 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CNCC3)CC[N@H+]1Cc1ccccc1 ZINC001357403477 1067084800 /nfs/dbraw/zinc/08/48/00/1067084800.db2.gz DIQLOYQMKKAXPE-APWZRJJASA-N 1 3 383.561 3.519 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001477596544 1078483395 /nfs/dbraw/zinc/48/33/95/1078483395.db2.gz WIZSHWNCMBNNOU-PHZLKFDYSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001477596544 1078483397 /nfs/dbraw/zinc/48/33/97/1078483397.db2.gz WIZSHWNCMBNNOU-PHZLKFDYSA-N 1 3 392.632 3.649 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)N(C)C)cc1 ZINC001477650684 1078507769 /nfs/dbraw/zinc/50/77/69/1078507769.db2.gz OUEKNWYCPLHYBT-WTIAFYNJSA-N 1 3 396.579 3.897 20 0 GHADHO CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC001467717325 1067435757 /nfs/dbraw/zinc/43/57/57/1067435757.db2.gz YKYOHWUXDZIDDJ-NRFANRHFSA-N 1 3 386.584 3.729 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001467946908 1067541417 /nfs/dbraw/zinc/54/14/17/1067541417.db2.gz KFVMDNOFXFSMGA-QHCPKHFHSA-N 1 3 385.596 3.666 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001467946908 1067541424 /nfs/dbraw/zinc/54/14/24/1067541424.db2.gz KFVMDNOFXFSMGA-QHCPKHFHSA-N 1 3 385.596 3.666 20 0 GHADHO CCC1([NH+]2CCCCC2)CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001468238094 1067644630 /nfs/dbraw/zinc/64/46/30/1067644630.db2.gz YULTUQAOEYUDBZ-UHFFFAOYSA-N 1 3 386.584 3.559 20 0 GHADHO CCO[C@H]1C[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C12CCCC2 ZINC000849098701 1067725689 /nfs/dbraw/zinc/72/56/89/1067725689.db2.gz NRBHDCAKXLRABA-SFTDATJTSA-N 1 3 384.568 3.503 20 0 GHADHO COc1cccc([C@H]2C[C@H](NC(=[NH2+])NC3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000849117062 1067736453 /nfs/dbraw/zinc/73/64/53/1067736453.db2.gz RYXBUIDCKQQUPR-AQYVVDRMSA-N 1 3 392.547 3.720 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001469155502 1067998643 /nfs/dbraw/zinc/99/86/43/1067998643.db2.gz MLFHDUHMWLKWOL-UHFFFAOYSA-N 1 3 380.621 3.652 20 0 GHADHO CC(C)N(C)C(=O)[C@@H](C)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460549449 1068993228 /nfs/dbraw/zinc/99/32/28/1068993228.db2.gz WBWHRYIYKQXFIO-DENIHFKCSA-N 1 3 385.596 3.864 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001471503035 1073107536 /nfs/dbraw/zinc/10/75/36/1073107536.db2.gz HBNJSDFZROJMNX-UHFFFAOYSA-N 1 3 378.605 3.547 20 0 GHADHO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001478956664 1079038601 /nfs/dbraw/zinc/03/86/01/1079038601.db2.gz DUARQNJPNUGXLH-NNWRFLSQSA-N 1 3 388.600 3.626 20 0 GHADHO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001478956664 1079038605 /nfs/dbraw/zinc/03/86/05/1079038605.db2.gz DUARQNJPNUGXLH-NNWRFLSQSA-N 1 3 388.600 3.626 20 0 GHADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)N1CCc2ccccc2C1 ZINC001472487744 1073507555 /nfs/dbraw/zinc/50/75/55/1073507555.db2.gz VLWYPIGEKMQRIM-SGNDLWITSA-N 1 3 391.559 3.633 20 0 GHADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)N1CCc2ccccc2C1 ZINC001472487744 1073507568 /nfs/dbraw/zinc/50/75/68/1073507568.db2.gz VLWYPIGEKMQRIM-SGNDLWITSA-N 1 3 391.559 3.633 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC001472488511 1073508134 /nfs/dbraw/zinc/50/81/34/1073508134.db2.gz NANPQGOLWZIPRH-QHCPKHFHSA-N 1 3 397.563 3.891 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC001472488511 1073508151 /nfs/dbraw/zinc/50/81/51/1073508151.db2.gz NANPQGOLWZIPRH-QHCPKHFHSA-N 1 3 397.563 3.891 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669916 1074076086 /nfs/dbraw/zinc/07/60/86/1074076086.db2.gz DRIHMWGZSBVGKD-RTWAWAEBSA-N 1 3 375.557 3.723 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669916 1074076093 /nfs/dbraw/zinc/07/60/93/1074076093.db2.gz DRIHMWGZSBVGKD-RTWAWAEBSA-N 1 3 375.557 3.723 20 0 GHADHO Cn1cc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019046 1074237499 /nfs/dbraw/zinc/23/74/99/1074237499.db2.gz LOXXCIFXOVDOSN-DYESRHJHSA-N 1 3 381.549 3.716 20 0 GHADHO Cn1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019046 1074237504 /nfs/dbraw/zinc/23/75/04/1074237504.db2.gz LOXXCIFXOVDOSN-DYESRHJHSA-N 1 3 381.549 3.716 20 0 GHADHO CC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000359893561 209199798 /nfs/dbraw/zinc/19/97/98/209199798.db2.gz DUIRGLOARRIGBX-HARLFGEKSA-N 1 3 377.532 3.985 20 0 GHADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164725722 720472817 /nfs/dbraw/zinc/47/28/17/720472817.db2.gz JXNVAOXEQFIIKF-DNVJHFABSA-N 1 3 391.563 3.877 20 0 GHADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164725722 720472824 /nfs/dbraw/zinc/47/28/24/720472824.db2.gz JXNVAOXEQFIIKF-DNVJHFABSA-N 1 3 391.563 3.877 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000471406519 837604810 /nfs/dbraw/zinc/60/48/10/837604810.db2.gz UIOAZJKVTWJWQM-NRFANRHFSA-N 1 3 385.577 3.696 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000471406519 837604817 /nfs/dbraw/zinc/60/48/17/837604817.db2.gz UIOAZJKVTWJWQM-NRFANRHFSA-N 1 3 385.577 3.696 20 0 GHADHO CCCOc1ccc([C@@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000655691399 837672138 /nfs/dbraw/zinc/67/21/38/837672138.db2.gz AEWACGIOIIOCFJ-XLIONFOSSA-N 1 3 376.541 3.778 20 0 GHADHO Cc1cc2c(c(C)c1)[C@H](NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000655710780 837704053 /nfs/dbraw/zinc/70/40/53/837704053.db2.gz FFJDTOZFUPNQEV-DHIUTWEWSA-N 1 3 391.559 3.778 20 0 GHADHO Cc1cc2c(c(C)c1)[C@H](NCc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000655710780 837704062 /nfs/dbraw/zinc/70/40/62/837704062.db2.gz FFJDTOZFUPNQEV-DHIUTWEWSA-N 1 3 391.559 3.778 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)[C@@H](C)C1 ZINC000655734764 837764613 /nfs/dbraw/zinc/76/46/13/837764613.db2.gz AVIMIFMJKRXJNF-WMZHIEFXSA-N 1 3 384.568 3.716 20 0 GHADHO C[C@H]1C[C@H](NCCc2nnc(-c3ccccc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000090659941 834618756 /nfs/dbraw/zinc/61/87/56/834618756.db2.gz VIAHQUPOVJDPNI-GHTZIAJQSA-N 1 3 376.504 3.922 20 0 GHADHO C[C@H]1C[C@H](NCCc2nnc(-c3ccccc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000090659941 834618762 /nfs/dbraw/zinc/61/87/62/834618762.db2.gz VIAHQUPOVJDPNI-GHTZIAJQSA-N 1 3 376.504 3.922 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812125 835073203 /nfs/dbraw/zinc/07/32/03/835073203.db2.gz RLZZTGNZWRBFPI-FUPPJEDESA-N 1 3 385.596 3.663 20 0 GHADHO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1OCC ZINC000133160480 835491009 /nfs/dbraw/zinc/49/10/09/835491009.db2.gz GVBMHSFRGZJRRU-QZTJIDSGSA-N 1 3 376.541 3.636 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCc4cccnc4CC3)CC2)cc1 ZINC000421822146 835591220 /nfs/dbraw/zinc/59/12/20/835591220.db2.gz VYQPEHZVBZVBLE-XMMPIXPASA-N 1 3 392.591 3.517 20 0 GHADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000584158974 835716871 /nfs/dbraw/zinc/71/68/71/835716871.db2.gz SWJWYAAUAKBBLK-ICSRJNTNSA-N 1 3 383.511 3.963 20 0 GHADHO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548481424 844131409 /nfs/dbraw/zinc/13/14/09/844131409.db2.gz FATUSADZLLHWGV-IHPCNDPISA-N 1 3 397.950 3.946 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000548932090 836271874 /nfs/dbraw/zinc/27/18/74/836271874.db2.gz PQMSTTYFRYBNJG-HXUWFJFHSA-N 1 3 387.474 3.794 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483549 844156958 /nfs/dbraw/zinc/15/69/58/844156958.db2.gz HNEODEJGNDCHTA-NZQKXSOJSA-N 1 3 379.548 3.523 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000247080434 836752280 /nfs/dbraw/zinc/75/22/80/836752280.db2.gz NIEYJGXDFPGSQW-IFMALSPDSA-N 1 3 383.511 3.764 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000247080434 836752286 /nfs/dbraw/zinc/75/22/86/836752286.db2.gz NIEYJGXDFPGSQW-IFMALSPDSA-N 1 3 383.511 3.764 20 0 GHADHO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000376389496 836915734 /nfs/dbraw/zinc/91/57/34/836915734.db2.gz WVRHHZWNXMHVFL-ZWKOTPCHSA-N 1 3 375.582 3.608 20 0 GHADHO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000376389495 836915793 /nfs/dbraw/zinc/91/57/93/836915793.db2.gz WVRHHZWNXMHVFL-ROUUACIJSA-N 1 3 375.582 3.608 20 0 GHADHO OC1(CN[C@@H](c2ncc[nH]2)C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414307930 837021134 /nfs/dbraw/zinc/02/11/34/837021134.db2.gz PPZYMAPDSIWYOO-OAQYLSRUSA-N 1 3 382.552 3.648 20 0 GHADHO C[NH+]1CCN(c2ccc(CN[C@@H]3CCc4cc(Cl)cc(Cl)c43)cn2)CC1 ZINC000134306963 837232692 /nfs/dbraw/zinc/23/26/92/837232692.db2.gz RDYHODDNGKTDFF-GOSISDBHSA-N 1 3 391.346 3.917 20 0 GHADHO CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(Cl)cc(Cl)c43)cn2)CC1 ZINC000134306963 837232703 /nfs/dbraw/zinc/23/27/03/837232703.db2.gz RDYHODDNGKTDFF-GOSISDBHSA-N 1 3 391.346 3.917 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000659270001 838042189 /nfs/dbraw/zinc/04/21/89/838042189.db2.gz SAHWITJNEVIPCS-JZWVFAODSA-N 1 3 377.532 3.733 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000659270001 838042194 /nfs/dbraw/zinc/04/21/94/838042194.db2.gz SAHWITJNEVIPCS-JZWVFAODSA-N 1 3 377.532 3.733 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C(C)(C)C)C[C@@H]3C)CC2)CC1 ZINC000579976663 838240258 /nfs/dbraw/zinc/24/02/58/838240258.db2.gz NPLBCAAJPOPPEQ-ICSRJNTNSA-N 1 3 377.617 3.856 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000415907887 838253769 /nfs/dbraw/zinc/25/37/69/838253769.db2.gz OGWPBWTYLQVYML-LJQANCHMSA-N 1 3 380.536 3.924 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312589861 838273945 /nfs/dbraw/zinc/27/39/45/838273945.db2.gz DMDJEWPEIDHFSD-ICSRJNTNSA-N 1 3 386.561 3.653 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000659364982 838327167 /nfs/dbraw/zinc/32/71/67/838327167.db2.gz CNLSCAIGELPSDK-JOCHJYFZSA-N 1 3 381.520 3.832 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000659364982 838327173 /nfs/dbraw/zinc/32/71/73/838327173.db2.gz CNLSCAIGELPSDK-JOCHJYFZSA-N 1 3 381.520 3.832 20 0 GHADHO CC(C)[N@H+](C)CC1CCN([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405469 838691984 /nfs/dbraw/zinc/69/19/84/838691984.db2.gz SPHZRSZJQYKFCX-DYESRHJHSA-N 1 3 375.532 3.540 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405469 838691990 /nfs/dbraw/zinc/69/19/90/838691990.db2.gz SPHZRSZJQYKFCX-DYESRHJHSA-N 1 3 375.532 3.540 20 0 GHADHO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000471548195 839136558 /nfs/dbraw/zinc/13/65/58/839136558.db2.gz QIPZTBLJVFEGMH-VJBMBRPKSA-N 1 3 379.548 3.706 20 0 GHADHO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000471548195 839136567 /nfs/dbraw/zinc/13/65/67/839136567.db2.gz QIPZTBLJVFEGMH-VJBMBRPKSA-N 1 3 379.548 3.706 20 0 GHADHO CCCOc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OCC ZINC000415120566 839229463 /nfs/dbraw/zinc/22/94/63/839229463.db2.gz GKLHQWNWSCLMBW-SIKLNZKXSA-N 1 3 376.541 3.592 20 0 GHADHO COc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OCCC(C)C ZINC000415134341 839250044 /nfs/dbraw/zinc/25/00/44/839250044.db2.gz WAJHDPOEKPWJBS-REWPJTCUSA-N 1 3 390.568 3.838 20 0 GHADHO O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000644554424 839808113 /nfs/dbraw/zinc/80/81/13/839808113.db2.gz PMOVOQDREBYVEO-LCWAXJCOSA-N 1 3 382.470 3.723 20 0 GHADHO CCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000580656625 839970362 /nfs/dbraw/zinc/97/03/62/839970362.db2.gz CZLHYVWBRCHVPQ-UHFFFAOYSA-N 1 3 391.987 3.885 20 0 GHADHO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000580705293 840029428 /nfs/dbraw/zinc/02/94/28/840029428.db2.gz SPQAEGHUUKLJTP-NFBKMPQASA-N 1 3 394.559 3.842 20 0 GHADHO COCCOCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000580797018 840190700 /nfs/dbraw/zinc/19/07/00/840190700.db2.gz NPOQVFUKDIUMBP-GBXCKJPGSA-N 1 3 382.548 3.850 20 0 GHADHO COCCOCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000580797018 840190706 /nfs/dbraw/zinc/19/07/06/840190706.db2.gz NPOQVFUKDIUMBP-GBXCKJPGSA-N 1 3 382.548 3.850 20 0 GHADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000416839125 840216832 /nfs/dbraw/zinc/21/68/32/840216832.db2.gz JJYAUQVFPDUCPX-LJQANCHMSA-N 1 3 392.613 3.552 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000416839151 840218272 /nfs/dbraw/zinc/21/82/72/840218272.db2.gz JKPOWJKGMKVXIY-RTBURBONSA-N 1 3 386.565 3.520 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000416839147 840218370 /nfs/dbraw/zinc/21/83/70/840218370.db2.gz JKPOWJKGMKVXIY-RBUKOAKNSA-N 1 3 386.565 3.520 20 0 GHADHO CCN(C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418482372 840301464 /nfs/dbraw/zinc/30/14/64/840301464.db2.gz FAUSMHDWYZAISS-XMSQKQJNSA-N 1 3 380.536 3.512 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)c2ccccc2)CC1 ZINC000417234083 840622553 /nfs/dbraw/zinc/62/25/53/840622553.db2.gz IFOCEAAIZAKLGG-JOCHJYFZSA-N 1 3 398.595 3.635 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C)cc3SC)CC2)CC1 ZINC000584729700 840692008 /nfs/dbraw/zinc/69/20/08/840692008.db2.gz JQMNPQJLPYZYJV-UHFFFAOYSA-N 1 3 389.609 3.529 20 0 GHADHO O=C(CC[NH+]1CCC(NCc2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000660680415 841085416 /nfs/dbraw/zinc/08/54/16/841085416.db2.gz YEOOIJFMBPJXRY-XMMPIXPASA-N 1 3 391.559 3.825 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(COC(C)C)c3)CC2)CC1 ZINC000581497084 841546735 /nfs/dbraw/zinc/54/67/35/841546735.db2.gz KJVNEEQTJDPRLY-UHFFFAOYSA-N 1 3 387.568 3.746 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)c1ccco1 ZINC000418168027 841606072 /nfs/dbraw/zinc/60/60/72/841606072.db2.gz NLRPFACTDHGLTB-ORYQWCPZSA-N 1 3 394.519 3.861 20 0 GHADHO CSc1ccc2c(c1)[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000581548835 841647292 /nfs/dbraw/zinc/64/72/92/841647292.db2.gz XQBPKJZTINBTPW-JOCHJYFZSA-N 1 3 397.588 3.867 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(CO)CCc3ccccc32)CC1 ZINC000651883623 841789377 /nfs/dbraw/zinc/78/93/77/841789377.db2.gz LBOBBSRSBRAYES-NLFFAJNJSA-N 1 3 378.560 3.548 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000656787640 841926905 /nfs/dbraw/zinc/92/69/05/841926905.db2.gz PYSYXQUJPOTWPL-UFYCRDLUSA-N 1 3 395.547 3.675 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cncc(OCc3ccccc3)c2)C1 ZINC000652364029 842372395 /nfs/dbraw/zinc/37/23/95/842372395.db2.gz VRIBOKNZALZGRI-PUHATCMVSA-N 1 3 381.520 3.521 20 0 GHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(OCC(F)F)cc3)CC2)C[C@H](C)O1 ZINC000512181437 842801826 /nfs/dbraw/zinc/80/18/26/842801826.db2.gz BWZGQDMEIBXCQS-CALCHBBNSA-N 1 3 382.495 3.652 20 0 GHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(OCC(F)F)cc3)CC2)C[C@H](C)O1 ZINC000512181437 842801832 /nfs/dbraw/zinc/80/18/32/842801832.db2.gz BWZGQDMEIBXCQS-CALCHBBNSA-N 1 3 382.495 3.652 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)C[C@H](C)O1 ZINC000512181437 842801839 /nfs/dbraw/zinc/80/18/39/842801839.db2.gz BWZGQDMEIBXCQS-CALCHBBNSA-N 1 3 382.495 3.652 20 0 GHADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000430867657 843110411 /nfs/dbraw/zinc/11/04/11/843110411.db2.gz LNOPHULPFAGFLL-PMACEKPBSA-N 1 3 375.582 3.514 20 0 GHADHO CN(C)C[C@H](NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccc(Cl)cc1 ZINC000662533111 843396285 /nfs/dbraw/zinc/39/62/85/843396285.db2.gz ZNUPYLNJCOFXTR-NQIIRXRSSA-N 1 3 385.939 3.751 20 0 GHADHO CCCN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000662689614 843520577 /nfs/dbraw/zinc/52/05/77/843520577.db2.gz XCXQYQLDZZQMJJ-OAQYLSRUSA-N 1 3 377.532 3.807 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000236801678 843675017 /nfs/dbraw/zinc/67/50/17/843675017.db2.gz NGQOOOOBIRIAOG-QFIPXVFZSA-N 1 3 387.955 3.695 20 0 GHADHO C[C@H]1C[C@@H](CCNC(=O)N2CCN(C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512412756 843725241 /nfs/dbraw/zinc/72/52/41/843725241.db2.gz RBRSHHFERZIOBZ-RBBKRZOGSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1C[C@@H](CCNC(=O)N2CCN(C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412756 843725252 /nfs/dbraw/zinc/72/52/52/843725252.db2.gz RBRSHHFERZIOBZ-RBBKRZOGSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)C1 ZINC000510991872 844756692 /nfs/dbraw/zinc/75/66/92/844756692.db2.gz BESUDPZMTFYOTO-AGILITTLSA-N 1 3 397.607 3.853 20 0 GHADHO Brc1cccc(OCCSCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247149031 845040733 /nfs/dbraw/zinc/04/07/33/845040733.db2.gz XHXMBVKECTZCRK-SJORKVTESA-N 1 3 399.398 3.778 20 0 GHADHO Brc1cccc(OCCSCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000247149031 845040740 /nfs/dbraw/zinc/04/07/40/845040740.db2.gz XHXMBVKECTZCRK-SJORKVTESA-N 1 3 399.398 3.778 20 0 GHADHO C[C@@H](CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236651581 845158924 /nfs/dbraw/zinc/15/89/24/845158924.db2.gz FGIMXQKOTBQXPX-HKUYNNGSSA-N 1 3 377.598 3.663 20 0 GHADHO CC1CCN([C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccs2)CC1 ZINC000236730267 845188406 /nfs/dbraw/zinc/18/84/06/845188406.db2.gz INQJJFGZTGRGBC-XVLXNVKGSA-N 1 3 375.582 3.558 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576704282 845205200 /nfs/dbraw/zinc/20/52/00/845205200.db2.gz IRNKMYBEKJGZEI-GBESFXJTSA-N 1 3 379.504 3.737 20 0 GHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433964316 845675228 /nfs/dbraw/zinc/67/52/28/845675228.db2.gz IOMRIVNLYSHJHE-FYYLOGMGSA-N 1 3 398.595 3.557 20 0 GHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433964316 845675233 /nfs/dbraw/zinc/67/52/33/845675233.db2.gz IOMRIVNLYSHJHE-FYYLOGMGSA-N 1 3 398.595 3.557 20 0 GHADHO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513656380 846197979 /nfs/dbraw/zinc/19/79/79/846197979.db2.gz RZTRNQGRXYOOAJ-YFNKSVMNSA-N 1 3 380.580 3.860 20 0 GHADHO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513656379 846198206 /nfs/dbraw/zinc/19/82/06/846198206.db2.gz RZTRNQGRXYOOAJ-QPTUXGOLSA-N 1 3 380.580 3.860 20 0 GHADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000472150356 846210133 /nfs/dbraw/zinc/21/01/33/846210133.db2.gz BOJNRVQIFFMBAA-RBUKOAKNSA-N 1 3 385.552 3.553 20 0 GHADHO CNC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513678423 846225371 /nfs/dbraw/zinc/22/53/71/846225371.db2.gz MYSXPXBGJGRTKT-TZRRMPRUSA-N 1 3 391.559 3.827 20 0 GHADHO CNC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513678423 846225378 /nfs/dbraw/zinc/22/53/78/846225378.db2.gz MYSXPXBGJGRTKT-TZRRMPRUSA-N 1 3 391.559 3.827 20 0 GHADHO COc1cccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c1OC(C)C ZINC000414545966 846499553 /nfs/dbraw/zinc/49/95/53/846499553.db2.gz GDGMNFBCOGSTNY-UHFFFAOYSA-N 1 3 398.547 3.599 20 0 GHADHO C(=C/C[N@@H+]1CC[C@H](Cc2nccs2)C1)\CN1CC[C@H](Cc2nccs2)C1 ZINC000934329980 846529335 /nfs/dbraw/zinc/52/93/35/846529335.db2.gz DDOQMKZZCKZPGW-ZHEVZCJESA-N 1 3 388.606 3.585 20 0 GHADHO C(=C/C[N@H+]1CC[C@H](Cc2nccs2)C1)\CN1CC[C@H](Cc2nccs2)C1 ZINC000934329980 846529340 /nfs/dbraw/zinc/52/93/40/846529340.db2.gz DDOQMKZZCKZPGW-ZHEVZCJESA-N 1 3 388.606 3.585 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501160964 846691355 /nfs/dbraw/zinc/69/13/55/846691355.db2.gz DBJJERWJRDQKSU-JENIJYKNSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501160964 846691362 /nfs/dbraw/zinc/69/13/62/846691362.db2.gz DBJJERWJRDQKSU-JENIJYKNSA-N 1 3 380.602 3.551 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657386698 846801340 /nfs/dbraw/zinc/80/13/40/846801340.db2.gz JJZJJQZTGQMRIK-FOVJLYNBSA-N 1 3 380.532 3.855 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657386698 846801342 /nfs/dbraw/zinc/80/13/42/846801342.db2.gz JJZJJQZTGQMRIK-FOVJLYNBSA-N 1 3 380.532 3.855 20 0 GHADHO C[NH+](C)[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000501384166 846894367 /nfs/dbraw/zinc/89/43/67/846894367.db2.gz BXFLPMZDGMXMET-RTBURBONSA-N 1 3 392.613 3.695 20 0 GHADHO [NH3+]C[C@@H](NCCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCCCC1 ZINC000420356954 847136890 /nfs/dbraw/zinc/13/68/90/847136890.db2.gz CZWZJNCPYLWDOH-KNQAVFIVSA-N 1 3 385.577 3.841 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000272905236 847204763 /nfs/dbraw/zinc/20/47/63/847204763.db2.gz QIWAFSHOTNHKMP-FXAWDEMLSA-N 1 3 393.597 3.687 20 0 GHADHO CC1CC[NH+](CCCCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000501829093 847223122 /nfs/dbraw/zinc/22/31/22/847223122.db2.gz QXUMHOCFPTUHTD-JOCHJYFZSA-N 1 3 386.584 3.635 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501857140 847282473 /nfs/dbraw/zinc/28/24/73/847282473.db2.gz UHPPLEOLJRFRRP-PMACEKPBSA-N 1 3 378.605 3.547 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857140 847282482 /nfs/dbraw/zinc/28/24/82/847282482.db2.gz UHPPLEOLJRFRRP-PMACEKPBSA-N 1 3 378.605 3.547 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC2CCC([NH+](C)C)CC2)c2cccs2)CC1 ZINC000420776672 847423915 /nfs/dbraw/zinc/42/39/15/847423915.db2.gz WLUZJPNQTSQIHH-ACBHZAAOSA-N 1 3 392.613 3.693 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422722884 847796696 /nfs/dbraw/zinc/79/66/96/847796696.db2.gz PXRLCZZNQSPRQT-ZDUSSCGKSA-N 1 3 389.425 3.904 20 0 GHADHO COc1ccc([C@H](NC2CCN([C@@H](C)c3ccncc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422963934 847905173 /nfs/dbraw/zinc/90/51/73/847905173.db2.gz HJHSVBIUWFPTNY-GLYQVZKVSA-N 1 3 394.563 3.699 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423087678 847973466 /nfs/dbraw/zinc/97/34/66/847973466.db2.gz OPKURLUUQYACSB-WMLDXEAASA-N 1 3 389.341 3.541 20 0 GHADHO C[NH+](C)CC1CCC(NCc2ccc(F)cc2I)CC1 ZINC000417954025 861939748 /nfs/dbraw/zinc/93/97/48/861939748.db2.gz PZLVPDULQYVEGL-UHFFFAOYSA-N 1 3 390.284 3.640 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414853128 849756629 /nfs/dbraw/zinc/75/66/29/849756629.db2.gz RWLAUCLWYKYTIA-GUYCJALGSA-N 1 3 382.346 3.663 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423407113 849911431 /nfs/dbraw/zinc/91/14/31/849911431.db2.gz VJFHENQWTUMJII-GYSYKLTISA-N 1 3 377.838 3.664 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCNC[C@H]1C ZINC000423407113 849911439 /nfs/dbraw/zinc/91/14/39/849911439.db2.gz VJFHENQWTUMJII-GYSYKLTISA-N 1 3 377.838 3.664 20 0 GHADHO N[C@H](CC1CCCCC1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423856603 850085556 /nfs/dbraw/zinc/08/55/56/850085556.db2.gz XDAKQZOSVPUZCT-JOCHJYFZSA-N 1 3 383.580 3.799 20 0 GHADHO N[C@H](CC1CCCCC1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423856603 850085564 /nfs/dbraw/zinc/08/55/64/850085564.db2.gz XDAKQZOSVPUZCT-JOCHJYFZSA-N 1 3 383.580 3.799 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)c(OC)cc3Cl)CC2)CC1 ZINC000514799387 850304712 /nfs/dbraw/zinc/30/47/12/850304712.db2.gz UGVLXUYUNNUDBJ-UHFFFAOYSA-N 1 3 393.959 3.792 20 0 GHADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000415004484 850374596 /nfs/dbraw/zinc/37/45/96/850374596.db2.gz OEWUZJZEJLBKKQ-NBHGPNQESA-N 1 3 386.511 3.757 20 0 GHADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000519077509 850575436 /nfs/dbraw/zinc/57/54/36/850575436.db2.gz ITTZNKGUTMIPSU-ZWKOTPCHSA-N 1 3 380.602 3.551 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000514040010 851145188 /nfs/dbraw/zinc/14/51/88/851145188.db2.gz SFKLRTDJLHKJMX-VJBWXMMDSA-N 1 3 398.595 3.699 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000514040010 851145193 /nfs/dbraw/zinc/14/51/93/851145193.db2.gz SFKLRTDJLHKJMX-VJBWXMMDSA-N 1 3 398.595 3.699 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCc4ccccc4C3)nc2)[C@H]2CCC[C@@H]21 ZINC000514103271 851240678 /nfs/dbraw/zinc/24/06/78/851240678.db2.gz AZLQOQIWLRPZHP-VJBWXMMDSA-N 1 3 376.548 3.607 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(N3CCc4ccccc4C3)nc2)[C@H]2CCC[C@@H]21 ZINC000514103271 851240691 /nfs/dbraw/zinc/24/06/91/851240691.db2.gz AZLQOQIWLRPZHP-VJBWXMMDSA-N 1 3 376.548 3.607 20 0 GHADHO CC(C)(C)OC(=O)N1CCCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167960739 851549964 /nfs/dbraw/zinc/54/99/64/851549964.db2.gz AXZHNQZYSGZGDL-UMQXSMKFSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)N1CCCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167960739 851549973 /nfs/dbraw/zinc/54/99/73/851549973.db2.gz AXZHNQZYSGZGDL-UMQXSMKFSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000111836561 851940546 /nfs/dbraw/zinc/94/05/46/851940546.db2.gz UNAKRLAHSZIPLX-QFIPXVFZSA-N 1 3 386.584 3.632 20 0 GHADHO C[NH+](C)CC1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCCC1 ZINC000426105646 852690158 /nfs/dbraw/zinc/69/01/58/852690158.db2.gz WCKFAZANQZDKOW-UHFFFAOYSA-N 1 3 389.609 3.729 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000489993355 852693703 /nfs/dbraw/zinc/69/37/03/852693703.db2.gz OBHNFWZWZVAVIE-UHFFFAOYSA-N 1 3 386.584 3.557 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000490110757 852759449 /nfs/dbraw/zinc/75/94/49/852759449.db2.gz DQMQPJUEOCWSJH-HSZRJFAPSA-N 1 3 385.527 3.541 20 0 GHADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000507362438 852841236 /nfs/dbraw/zinc/84/12/36/852841236.db2.gz RABJRLLEHQXLFY-NRFANRHFSA-N 1 3 376.585 3.837 20 0 GHADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000507362438 852841248 /nfs/dbraw/zinc/84/12/48/852841248.db2.gz RABJRLLEHQXLFY-NRFANRHFSA-N 1 3 376.585 3.837 20 0 GHADHO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]13)CC2 ZINC000507521843 853004996 /nfs/dbraw/zinc/00/49/96/853004996.db2.gz BBKGONHOIKOKMP-XBYSBRQOSA-N 1 3 378.564 3.822 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccc4c(c3)CCCC4)c2)C1 ZINC000490843159 853306292 /nfs/dbraw/zinc/30/62/92/853306292.db2.gz AGSIEBVVHATIFF-DEOSSOPVSA-N 1 3 391.559 3.553 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc4c(c3)CCCC4)c2)C1 ZINC000490843159 853306303 /nfs/dbraw/zinc/30/63/03/853306303.db2.gz AGSIEBVVHATIFF-DEOSSOPVSA-N 1 3 391.559 3.553 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623862374 862464914 /nfs/dbraw/zinc/46/49/14/862464914.db2.gz SDBNIURUVJAMIJ-LEWJYISDSA-N 1 3 379.589 3.846 20 0 GHADHO C[C@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000518543607 853480249 /nfs/dbraw/zinc/48/02/49/853480249.db2.gz OGIOCOCIJDDOPU-XZDHIHRUSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000518543607 853480252 /nfs/dbraw/zinc/48/02/52/853480252.db2.gz OGIOCOCIJDDOPU-XZDHIHRUSA-N 1 3 398.595 3.603 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]2C1 ZINC001167995187 854430868 /nfs/dbraw/zinc/43/08/68/854430868.db2.gz YJHXKRGKMLWYSF-JFROBXPVSA-N 1 3 389.584 3.581 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]2C1 ZINC001167995187 854430870 /nfs/dbraw/zinc/43/08/70/854430870.db2.gz YJHXKRGKMLWYSF-JFROBXPVSA-N 1 3 389.584 3.581 20 0 GHADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000589205240 854749589 /nfs/dbraw/zinc/74/95/89/854749589.db2.gz YWVOHBHTNSATPR-QZTJIDSGSA-N 1 3 380.602 3.551 20 0 GHADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000589205240 854749595 /nfs/dbraw/zinc/74/95/95/854749595.db2.gz YWVOHBHTNSATPR-QZTJIDSGSA-N 1 3 380.602 3.551 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNC[C@H](O)COCc3cccs3)c2)CC1 ZINC000572714632 854947513 /nfs/dbraw/zinc/94/75/13/854947513.db2.gz SCCKXBIXJANKFE-NRFANRHFSA-N 1 3 388.577 3.647 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189144505 855020910 /nfs/dbraw/zinc/02/09/10/855020910.db2.gz OLDNTRUQQLVVJA-CQSZACIVSA-N 1 3 377.882 3.722 20 0 GHADHO CSc1ccc(OCC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000441475505 855177045 /nfs/dbraw/zinc/17/70/45/855177045.db2.gz QBRJCUBDUXPGTQ-ROUUACIJSA-N 1 3 378.582 3.609 20 0 GHADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465719491 855684769 /nfs/dbraw/zinc/68/47/69/855684769.db2.gz NLZWJANCSMPUNM-FGZHOGPDSA-N 1 3 386.584 3.585 20 0 GHADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465719495 855684844 /nfs/dbraw/zinc/68/48/44/855684844.db2.gz NLZWJANCSMPUNM-YADHBBJMSA-N 1 3 386.584 3.585 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C[C@@H]1C ZINC000674031773 862750057 /nfs/dbraw/zinc/75/00/57/862750057.db2.gz ZLNLBKYUYRMRHZ-ILWGZMRPSA-N 1 3 386.584 3.728 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C[C@@H]1C ZINC000674031773 862750067 /nfs/dbraw/zinc/75/00/67/862750067.db2.gz ZLNLBKYUYRMRHZ-ILWGZMRPSA-N 1 3 386.584 3.728 20 0 GHADHO C[C@@H](CNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001168007890 856156805 /nfs/dbraw/zinc/15/68/05/856156805.db2.gz VHSZXXUNFXHFFI-BZSNNMDCSA-N 1 3 375.557 3.931 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1c1cccs1 ZINC000905133598 856181207 /nfs/dbraw/zinc/18/12/07/856181207.db2.gz QMOGHMAFLHJBSW-MRVWCRGKSA-N 1 3 386.430 3.669 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1c1cccs1 ZINC000905133598 856181212 /nfs/dbraw/zinc/18/12/12/856181212.db2.gz QMOGHMAFLHJBSW-MRVWCRGKSA-N 1 3 386.430 3.669 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)C[C@@H](C)O1 ZINC000067452720 856266346 /nfs/dbraw/zinc/26/63/46/856266346.db2.gz WTKKHCWOAKAFQI-WOJBJXKFSA-N 1 3 383.536 3.640 20 0 GHADHO Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1Cl ZINC000195442416 856420032 /nfs/dbraw/zinc/42/00/32/856420032.db2.gz KRLFQIIZJWZPDJ-HXUWFJFHSA-N 1 3 385.939 3.636 20 0 GHADHO Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1Cl ZINC000195442416 856420040 /nfs/dbraw/zinc/42/00/40/856420040.db2.gz KRLFQIIZJWZPDJ-HXUWFJFHSA-N 1 3 385.939 3.636 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000105273511 856631483 /nfs/dbraw/zinc/63/14/83/856631483.db2.gz PVNVNLZKXQXVNM-LJQANCHMSA-N 1 3 394.991 3.534 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000105273511 856631489 /nfs/dbraw/zinc/63/14/89/856631489.db2.gz PVNVNLZKXQXVNM-LJQANCHMSA-N 1 3 394.991 3.534 20 0 GHADHO CCOc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc(Cl)c1[O-] ZINC000668511431 856734710 /nfs/dbraw/zinc/73/47/10/856734710.db2.gz FVTALZJAMZEGGQ-UHFFFAOYSA-N 1 3 389.927 3.841 20 0 GHADHO C[C@@H](CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)NC(=O)OC(C)(C)C ZINC000785477641 857204169 /nfs/dbraw/zinc/20/41/69/857204169.db2.gz JHFBLUADYWFULC-IBGZPJMESA-N 1 3 387.568 3.888 20 0 GHADHO C[C@@H](CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)NC(=O)OC(C)(C)C ZINC000785477641 857204174 /nfs/dbraw/zinc/20/41/74/857204174.db2.gz JHFBLUADYWFULC-IBGZPJMESA-N 1 3 387.568 3.888 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675490715 857458349 /nfs/dbraw/zinc/45/83/49/857458349.db2.gz UIUQXRCEFDYUCW-NRFANRHFSA-N 1 3 395.547 3.888 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675490715 857458352 /nfs/dbraw/zinc/45/83/52/857458352.db2.gz UIUQXRCEFDYUCW-NRFANRHFSA-N 1 3 395.547 3.888 20 0 GHADHO CN1CC[C@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000574261345 857477648 /nfs/dbraw/zinc/47/76/48/857477648.db2.gz VHUQNSXBFXDLPO-YTFSRNRJSA-N 1 3 388.515 3.584 20 0 GHADHO CN1CC[C@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000574261344 857477830 /nfs/dbraw/zinc/47/78/30/857477830.db2.gz VHUQNSXBFXDLPO-VABKMULXSA-N 1 3 388.515 3.584 20 0 GHADHO CC(C)(C)OC(=O)N1CCCC12CC[NH+](C1CCN(CC3CC3)CC1)CC2 ZINC001168371034 857818997 /nfs/dbraw/zinc/81/89/97/857818997.db2.gz BZHBTIZCUBVXJF-UHFFFAOYSA-N 1 3 377.573 3.726 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)cc3NC3CC3)CC2)CC1 ZINC000521365588 857921053 /nfs/dbraw/zinc/92/10/53/857921053.db2.gz AMBYPANELBMLCS-UHFFFAOYSA-N 1 3 388.531 3.535 20 0 GHADHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000521379471 857933118 /nfs/dbraw/zinc/93/31/18/857933118.db2.gz XKPFJIBSUMQEGN-UHFFFAOYSA-N 1 3 380.492 3.743 20 0 GHADHO C[NH+](C)CC1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000428254987 857979501 /nfs/dbraw/zinc/97/95/01/857979501.db2.gz WQMNHTFCTKFPLW-UHFFFAOYSA-N 1 3 380.458 3.724 20 0 GHADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000443064456 858332530 /nfs/dbraw/zinc/33/25/30/858332530.db2.gz YGHPRUCLHAKOEX-VGSWGCGISA-N 1 3 385.939 3.606 20 0 GHADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000521955745 858483188 /nfs/dbraw/zinc/48/31/88/858483188.db2.gz WBEPGAXSDVMZPX-NZQKXSOJSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000521955745 858483192 /nfs/dbraw/zinc/48/31/92/858483192.db2.gz WBEPGAXSDVMZPX-NZQKXSOJSA-N 1 3 379.548 3.535 20 0 GHADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)COCc1ccc(Cl)cc1 ZINC000574983086 858483704 /nfs/dbraw/zinc/48/37/04/858483704.db2.gz XKKXSUCWRRKQCG-JOCHJYFZSA-N 1 3 388.939 3.603 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCC(F)(F)CC1 ZINC000474061839 858753731 /nfs/dbraw/zinc/75/37/31/858753731.db2.gz DWDXWFVFAHAKRM-QGZVFWFLSA-N 1 3 393.522 3.816 20 0 GHADHO C[C@H]1CC(NCCC(=O)N2CCc3ccccc32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168019246 858766825 /nfs/dbraw/zinc/76/68/25/858766825.db2.gz HZDAROACMMQUQJ-PMACEKPBSA-N 1 3 391.559 3.997 20 0 GHADHO COCCC[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686290 858930791 /nfs/dbraw/zinc/93/07/91/858930791.db2.gz YBXBTRJTPZXUHI-RBUKOAKNSA-N 1 3 381.358 3.991 20 0 GHADHO COCCC[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686290 858930796 /nfs/dbraw/zinc/93/07/96/858930796.db2.gz YBXBTRJTPZXUHI-RBUKOAKNSA-N 1 3 381.358 3.991 20 0 GHADHO Fc1ccc2c(c1)[C@@H](N1CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942656 858997766 /nfs/dbraw/zinc/99/77/66/858997766.db2.gz FCUOQCUGYCDFPA-CVDCTZTESA-N 1 3 394.538 3.742 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3c(Cl)oc4ccccc43)CC2)CC1 ZINC000543618807 859042782 /nfs/dbraw/zinc/04/27/82/859042782.db2.gz WWMYSBVTDWVYLH-UHFFFAOYSA-N 1 3 375.944 3.936 20 0 GHADHO C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185676349 859116070 /nfs/dbraw/zinc/11/60/70/859116070.db2.gz FPRJZPBGGTWPEI-HARLFGEKSA-N 1 3 382.548 3.822 20 0 GHADHO C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185676349 859116073 /nfs/dbraw/zinc/11/60/73/859116073.db2.gz FPRJZPBGGTWPEI-HARLFGEKSA-N 1 3 382.548 3.822 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509348145 859131382 /nfs/dbraw/zinc/13/13/82/859131382.db2.gz KTTWRUHDULMXLL-AOHZBQACSA-N 1 3 384.612 3.536 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509348145 859131388 /nfs/dbraw/zinc/13/13/88/859131388.db2.gz KTTWRUHDULMXLL-AOHZBQACSA-N 1 3 384.612 3.536 20 0 GHADHO OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@H]1c1ccc(F)cc1 ZINC000429418332 859318526 /nfs/dbraw/zinc/31/85/26/859318526.db2.gz NHIYJRJUFONSRK-PRDVQWLOSA-N 1 3 394.534 3.792 20 0 GHADHO OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@@H]1c1ccc(F)cc1 ZINC000429418329 859318949 /nfs/dbraw/zinc/31/89/49/859318949.db2.gz NHIYJRJUFONSRK-AZCRNNOYSA-N 1 3 394.534 3.792 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC[C@H]3c3ccccc3)CC2)CC1 ZINC000195343779 859375831 /nfs/dbraw/zinc/37/58/31/859375831.db2.gz PQHKEAGFNMIAEJ-QHCPKHFHSA-N 1 3 398.595 3.872 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000483766939 859607277 /nfs/dbraw/zinc/60/72/77/859607277.db2.gz UYWVCQVRQJWMAL-NQIIRXRSSA-N 1 3 384.568 3.528 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000765266880 859883803 /nfs/dbraw/zinc/88/38/03/859883803.db2.gz JKRWIURBBQFFKF-XMSQKQJNSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000765266880 859883806 /nfs/dbraw/zinc/88/38/06/859883806.db2.gz JKRWIURBBQFFKF-XMSQKQJNSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccccn3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168033589 859967438 /nfs/dbraw/zinc/96/74/38/859967438.db2.gz MJYUYSADRYSKSU-WNXIRNOKSA-N 1 3 378.564 3.687 20 0 GHADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccccn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033589 859967448 /nfs/dbraw/zinc/96/74/48/859967448.db2.gz MJYUYSADRYSKSU-WNXIRNOKSA-N 1 3 378.564 3.687 20 0 GHADHO C[C@@H]1C[C@@H](N[C@H]2CCN(Cc3cccnc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168036150 860230426 /nfs/dbraw/zinc/23/04/26/860230426.db2.gz UEBNTLQHGWEBAH-KZTDQWPFSA-N 1 3 378.564 3.687 20 0 GHADHO C[C@@H]1C[C@@H](N[C@H]2CCN(Cc3cccnc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036150 860230431 /nfs/dbraw/zinc/23/04/31/860230431.db2.gz UEBNTLQHGWEBAH-KZTDQWPFSA-N 1 3 378.564 3.687 20 0 GHADHO C[C@@H]1CC([NH2+]Cc2cnn(CC(F)(F)F)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168037157 860378140 /nfs/dbraw/zinc/37/81/40/860378140.db2.gz WUOGTKDTVKQCSM-HZPDHXFCSA-N 1 3 380.458 3.977 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCN(C)c3ccccc3)C2)ccn1 ZINC000856600307 881575238 /nfs/dbraw/zinc/57/52/38/881575238.db2.gz SSOIATCAGUYNAX-QHCPKHFHSA-N 1 3 382.552 3.511 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCN(C)c3ccccc3)C2)ccn1 ZINC000856600307 881575247 /nfs/dbraw/zinc/57/52/47/881575247.db2.gz SSOIATCAGUYNAX-QHCPKHFHSA-N 1 3 382.552 3.511 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C3CC(OC(C)(C)C)C3)C2)ccn1 ZINC000856604579 881583237 /nfs/dbraw/zinc/58/32/37/881583237.db2.gz PCODBWIDPZNMPK-VEDCXYSMSA-N 1 3 375.557 3.721 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C3CC(OC(C)(C)C)C3)C2)ccn1 ZINC000856604579 881583260 /nfs/dbraw/zinc/58/32/60/881583260.db2.gz PCODBWIDPZNMPK-VEDCXYSMSA-N 1 3 375.557 3.721 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCOCc3ccccc3)C2)ccn1 ZINC000856607073 881584756 /nfs/dbraw/zinc/58/47/56/881584756.db2.gz VAKOUYRIQMJQPG-HSZRJFAPSA-N 1 3 383.536 3.592 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCOCc3ccccc3)C2)ccn1 ZINC000856607073 881584762 /nfs/dbraw/zinc/58/47/62/881584762.db2.gz VAKOUYRIQMJQPG-HSZRJFAPSA-N 1 3 383.536 3.592 20 0 GHADHO C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529472 861162611 /nfs/dbraw/zinc/16/26/11/861162611.db2.gz JULLFKZPQMQRQN-ZBFHGGJFSA-N 1 3 399.373 3.734 20 0 GHADHO C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445693 863132083 /nfs/dbraw/zinc/13/20/83/863132083.db2.gz BHDUFGPLMIEHSW-GGAORHGYSA-N 1 3 393.575 3.738 20 0 GHADHO C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445693 863132090 /nfs/dbraw/zinc/13/20/90/863132090.db2.gz BHDUFGPLMIEHSW-GGAORHGYSA-N 1 3 393.575 3.738 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445693 863132098 /nfs/dbraw/zinc/13/20/98/863132098.db2.gz BHDUFGPLMIEHSW-GGAORHGYSA-N 1 3 393.575 3.738 20 0 GHADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000182682065 863327775 /nfs/dbraw/zinc/32/77/75/863327775.db2.gz GQVAWOZUOQEMPS-LEWJYISDSA-N 1 3 378.582 3.508 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475119984 864223881 /nfs/dbraw/zinc/22/38/81/864223881.db2.gz DYEVEUTVJHUXST-QHCPKHFHSA-N 1 3 398.595 3.747 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475133770 864269376 /nfs/dbraw/zinc/26/93/76/864269376.db2.gz AWMDOFFNBXOGLA-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475133770 864269392 /nfs/dbraw/zinc/26/93/92/864269392.db2.gz AWMDOFFNBXOGLA-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475135596 864272687 /nfs/dbraw/zinc/27/26/87/864272687.db2.gz GFPJPYLHQMXXQJ-QFIPXVFZSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475135596 864272695 /nfs/dbraw/zinc/27/26/95/864272695.db2.gz GFPJPYLHQMXXQJ-QFIPXVFZSA-N 1 3 386.584 3.557 20 0 GHADHO CC1CC[NH+]([C@H](CNC(=O)c2cccc(CN(C)C)c2)c2ccccc2)CC1 ZINC000607384686 864328393 /nfs/dbraw/zinc/32/83/93/864328393.db2.gz SUARZOZNHQWSCG-HSZRJFAPSA-N 1 3 379.548 3.951 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H](C)C1 ZINC000480277632 864407704 /nfs/dbraw/zinc/40/77/04/864407704.db2.gz KZEPRWQHUOOKKM-PGRDOPGGSA-N 1 3 387.568 3.652 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414926210 864541717 /nfs/dbraw/zinc/54/17/17/864541717.db2.gz MYTRSLWPNSPMPV-WOPDTQHZSA-N 1 3 377.838 3.935 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CCCOc3ccc(C)cc32)c1 ZINC000163636594 864545198 /nfs/dbraw/zinc/54/51/98/864545198.db2.gz ZAGUEVQQJJEXAE-QHCPKHFHSA-N 1 3 398.547 3.956 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CCCOc3ccc(C)cc32)c1 ZINC000163636594 864545203 /nfs/dbraw/zinc/54/52/03/864545203.db2.gz ZAGUEVQQJJEXAE-QHCPKHFHSA-N 1 3 398.547 3.956 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000480442383 864645608 /nfs/dbraw/zinc/64/56/08/864645608.db2.gz IBWXLODKCRPYKV-KRWDZBQOSA-N 1 3 389.565 3.751 20 0 GHADHO COc1cc([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc(OC)c1OC ZINC000165305859 864662006 /nfs/dbraw/zinc/66/20/06/864662006.db2.gz CCEDLMBVIZCGOB-AZUAARDMSA-N 1 3 398.547 3.928 20 0 GHADHO COc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1OC(F)F ZINC000192920175 865074135 /nfs/dbraw/zinc/07/41/35/865074135.db2.gz KWCYNFDRBDVYMM-GOSISDBHSA-N 1 3 376.447 3.908 20 0 GHADHO COc1cc(NC(=O)CCNCC2([NH+](C)C)CCCCC2)c(OC)cc1Cl ZINC000608341138 865272535 /nfs/dbraw/zinc/27/25/35/865272535.db2.gz JNJYLRQQMLKCSY-UHFFFAOYSA-N 1 3 397.947 3.540 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000121110610 881926798 /nfs/dbraw/zinc/92/67/98/881926798.db2.gz JOGOVQSNZLYWLT-JKSUJKDBSA-N 1 3 381.948 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000121110610 881926807 /nfs/dbraw/zinc/92/68/07/881926807.db2.gz JOGOVQSNZLYWLT-JKSUJKDBSA-N 1 3 381.948 3.777 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(CN4CCCC4)c3)C2)CC1 ZINC000623093638 866012105 /nfs/dbraw/zinc/01/21/05/866012105.db2.gz AVLFJXLUQGKGGS-QFIPXVFZSA-N 1 3 383.580 3.867 20 0 GHADHO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000600014409 866037476 /nfs/dbraw/zinc/03/74/76/866037476.db2.gz VAPFSSKGFPXAJY-FGZHOGPDSA-N 1 3 399.623 3.958 20 0 GHADHO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000600014409 866037488 /nfs/dbraw/zinc/03/74/88/866037488.db2.gz VAPFSSKGFPXAJY-FGZHOGPDSA-N 1 3 399.623 3.958 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CC2(OC)CCOCC2)cc1CN1CCCCC1 ZINC000183368242 866667431 /nfs/dbraw/zinc/66/74/31/866667431.db2.gz KWMLGQXDELINNL-SFHVURJKSA-N 1 3 376.541 3.527 20 0 GHADHO C[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153635378 866996636 /nfs/dbraw/zinc/99/66/36/866996636.db2.gz HGEJKUAPGAVOHB-KRWDZBQOSA-N 1 3 382.483 3.803 20 0 GHADHO CC(C)C[C@H]1CCCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154330704 867356896 /nfs/dbraw/zinc/35/68/96/867356896.db2.gz HBQWJQZDJHNIAX-OAQYLSRUSA-N 1 3 378.605 3.545 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]C[C@@H]3CCCOC3)CC2)c1 ZINC000539448939 869156812 /nfs/dbraw/zinc/15/68/12/869156812.db2.gz RTEHJLHZVJIQHO-SFHVURJKSA-N 1 3 399.501 3.624 20 0 GHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000539851623 869900228 /nfs/dbraw/zinc/90/02/28/869900228.db2.gz WPKTXYSIGXYJRL-OAQYLSRUSA-N 1 3 388.531 3.561 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)cc1 ZINC000462800102 870115883 /nfs/dbraw/zinc/11/58/83/870115883.db2.gz CFLIBGBEEJQUAO-DSNGMDLFSA-N 1 3 399.623 3.769 20 0 GHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000248007754 870259983 /nfs/dbraw/zinc/25/99/83/870259983.db2.gz KXURVIULCHTDFN-AUSIDOKSSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000248007754 870259999 /nfs/dbraw/zinc/25/99/99/870259999.db2.gz KXURVIULCHTDFN-AUSIDOKSSA-N 1 3 379.548 3.852 20 0 GHADHO C[C@H](NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000248393076 870364576 /nfs/dbraw/zinc/36/45/76/870364576.db2.gz GEODHGKCLBBAIM-CMCWBKRRSA-N 1 3 379.548 3.610 20 0 GHADHO COc1cc(C)c([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000248457934 870435435 /nfs/dbraw/zinc/43/54/35/870435435.db2.gz UIBOZFDHIFRWMY-NQIIRXRSSA-N 1 3 398.547 3.820 20 0 GHADHO COc1cc(C)c([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000248457934 870435447 /nfs/dbraw/zinc/43/54/47/870435447.db2.gz UIBOZFDHIFRWMY-NQIIRXRSSA-N 1 3 398.547 3.820 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC1CC[NH+](C(C)(C)C)CC1 ZINC000089512905 870990310 /nfs/dbraw/zinc/99/03/10/870990310.db2.gz BXTIAVDMCTZMFZ-MRXNPFEDSA-N 1 3 379.976 3.930 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463191725 871098390 /nfs/dbraw/zinc/09/83/90/871098390.db2.gz NSXRIZYAAVSWEA-ICSRJNTNSA-N 1 3 384.520 3.725 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463191725 871098404 /nfs/dbraw/zinc/09/84/04/871098404.db2.gz NSXRIZYAAVSWEA-ICSRJNTNSA-N 1 3 384.520 3.725 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134012 871222930 /nfs/dbraw/zinc/22/29/30/871222930.db2.gz PHISCOOOPPYQGP-BQJUDKOJSA-N 1 3 375.507 3.849 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134012 871222946 /nfs/dbraw/zinc/22/29/46/871222946.db2.gz PHISCOOOPPYQGP-BQJUDKOJSA-N 1 3 375.507 3.849 20 0 GHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091311169 871273164 /nfs/dbraw/zinc/27/31/64/871273164.db2.gz CSMQUXHHQMTVGL-OAGGEKHMSA-N 1 3 378.948 3.767 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716732281 871283066 /nfs/dbraw/zinc/28/30/66/871283066.db2.gz JXESGVCMARACBK-WOZUAGRISA-N 1 3 385.552 3.639 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716732281 871283079 /nfs/dbraw/zinc/28/30/79/871283079.db2.gz JXESGVCMARACBK-WOZUAGRISA-N 1 3 385.552 3.639 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716732281 871283137 /nfs/dbraw/zinc/28/31/37/871283137.db2.gz JXESGVCMARACBK-WOZUAGRISA-N 1 3 385.552 3.639 20 0 GHADHO CN(C)/C=C/c1ccncc1-n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001169611469 871705834 /nfs/dbraw/zinc/70/58/34/871705834.db2.gz BDQDFMQVRZTZPF-JXMROGBWSA-N 1 3 390.409 3.958 20 0 GHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@H](C)O1 ZINC000092587508 871771164 /nfs/dbraw/zinc/77/11/64/871771164.db2.gz GLBSCMWQYJDTIZ-KDURUIRLSA-N 1 3 396.535 3.590 20 0 GHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@H](C)O1 ZINC000092587508 871771174 /nfs/dbraw/zinc/77/11/74/871771174.db2.gz GLBSCMWQYJDTIZ-KDURUIRLSA-N 1 3 396.535 3.590 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@H](C)O1 ZINC000092587508 871771185 /nfs/dbraw/zinc/77/11/85/871771185.db2.gz GLBSCMWQYJDTIZ-KDURUIRLSA-N 1 3 396.535 3.590 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000462186432 871790967 /nfs/dbraw/zinc/79/09/67/871790967.db2.gz GBTUMOQIHGQKTR-CVDCTZTESA-N 1 3 377.532 3.533 20 0 GHADHO CCOC(=O)N1CCC[C@H](N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001169710148 871793912 /nfs/dbraw/zinc/79/39/12/871793912.db2.gz MIFLIRHMURSHHJ-NRFANRHFSA-N 1 3 391.531 3.733 20 0 GHADHO CCOC(=O)N1CCC[C@H](N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001169710148 871793916 /nfs/dbraw/zinc/79/39/16/871793916.db2.gz MIFLIRHMURSHHJ-NRFANRHFSA-N 1 3 391.531 3.733 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C1CC1)C1CCCC1 ZINC000092821690 871848906 /nfs/dbraw/zinc/84/89/06/871848906.db2.gz LALRKISANXJJAH-UHFFFAOYSA-N 1 3 384.568 3.554 20 0 GHADHO COc1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc2c1OCO2 ZINC000552273228 872367072 /nfs/dbraw/zinc/36/70/72/872367072.db2.gz ZCKHRIGCFTTYRU-UHFFFAOYSA-N 1 3 394.515 3.912 20 0 GHADHO CC(C)N1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1 ZINC000541090450 872901418 /nfs/dbraw/zinc/90/14/18/872901418.db2.gz JECDRRCMUANXRY-OAQYLSRUSA-N 1 3 394.003 3.954 20 0 GHADHO CN1CC[N@H+](CCCNCc2csc(C(C)(C)C)n2)[C@H](c2ccccc2)C1 ZINC000619761485 872974164 /nfs/dbraw/zinc/97/41/64/872974164.db2.gz PITDDCKRCITCRO-FQEVSTJZSA-N 1 3 386.609 3.909 20 0 GHADHO CN1CC[N@@H+](CCCNCc2csc(C(C)(C)C)n2)[C@H](c2ccccc2)C1 ZINC000619761485 872974170 /nfs/dbraw/zinc/97/41/70/872974170.db2.gz PITDDCKRCITCRO-FQEVSTJZSA-N 1 3 386.609 3.909 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)ccc1OC ZINC000183026167 873129110 /nfs/dbraw/zinc/12/91/10/873129110.db2.gz XFXQJFDCASZHNF-RXVVDRJESA-N 1 3 399.583 3.590 20 0 GHADHO C[C@H](Cc1ccsc1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000541226161 873189884 /nfs/dbraw/zinc/18/98/84/873189884.db2.gz XVEIAWWQGOXMRK-LJQANCHMSA-N 1 3 399.604 3.639 20 0 GHADHO Cc1cc(Br)ccc1NC(=O)CCNC1CC[NH+](C(C)C)CC1 ZINC000541763089 874232739 /nfs/dbraw/zinc/23/27/39/874232739.db2.gz BCMURCXEMFKSFJ-UHFFFAOYSA-N 1 3 382.346 3.549 20 0 GHADHO CC(C)[C@@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913746 874513541 /nfs/dbraw/zinc/51/35/41/874513541.db2.gz WNWFTYNXYOFKIW-RTBURBONSA-N 1 3 383.939 3.709 20 0 GHADHO CC(C)[C@@H](NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913746 874513551 /nfs/dbraw/zinc/51/35/51/874513551.db2.gz WNWFTYNXYOFKIW-RTBURBONSA-N 1 3 383.939 3.709 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000449187262 874579644 /nfs/dbraw/zinc/57/96/44/874579644.db2.gz QELOPAPPNDIFGP-HYBUGGRVSA-N 1 3 397.607 3.853 20 0 GHADHO C[C@H](CNC(C)(C)CC[NH+]1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449255398 874635205 /nfs/dbraw/zinc/63/52/05/874635205.db2.gz DBDZVCURCCWXMN-GOSISDBHSA-N 1 3 380.598 3.828 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCOCC(F)(F)C(F)F)CC1 ZINC000449280512 874665617 /nfs/dbraw/zinc/66/56/17/874665617.db2.gz ATZPPAFZBUBJHM-HNNXBMFYSA-N 1 3 376.438 3.589 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC000449320799 874726928 /nfs/dbraw/zinc/72/69/28/874726928.db2.gz PUHVYMBIMUDCDA-PPHZAIPVSA-N 1 3 384.589 3.750 20 0 GHADHO Cc1ccc(C(F)(F)F)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120230873 875744113 /nfs/dbraw/zinc/74/41/13/875744113.db2.gz ISDPZMZHLBPHHA-UHFFFAOYSA-N 1 3 398.473 3.694 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)(N2CCCCC2)CC1 ZINC000172749848 875897911 /nfs/dbraw/zinc/89/79/11/875897911.db2.gz VKQVZKUIANUNKE-PMACEKPBSA-N 1 3 389.971 3.510 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)(N2CCCCC2)CC1 ZINC000172749841 875898296 /nfs/dbraw/zinc/89/82/96/875898296.db2.gz VKQVZKUIANUNKE-UXHICEINSA-N 1 3 389.971 3.510 20 0 GHADHO C[C@@H](c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450642303 876698844 /nfs/dbraw/zinc/69/88/44/876698844.db2.gz IMSACKVMKQXRSF-FUHIMQAGSA-N 1 3 383.502 3.810 20 0 GHADHO O[C@H](COc1cccc2ccccc21)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134862486 883076281 /nfs/dbraw/zinc/07/62/81/883076281.db2.gz NUZSFZAKEHMJLG-UNWVZKJWSA-N 1 3 380.532 3.528 20 0 GHADHO O[C@H](COc1cccc2ccccc21)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134862486 883076299 /nfs/dbraw/zinc/07/62/99/883076299.db2.gz NUZSFZAKEHMJLG-UNWVZKJWSA-N 1 3 380.532 3.528 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433840 876917794 /nfs/dbraw/zinc/91/77/94/876917794.db2.gz RQGCQBUYRCSAMF-VQIMIIECSA-N 1 3 397.485 3.732 20 0 GHADHO C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850580462 877053039 /nfs/dbraw/zinc/05/30/39/877053039.db2.gz NENAKVHIGJAPMW-DKICVRJWSA-N 1 3 378.438 3.638 20 0 GHADHO Cc1cc([C@@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000451167026 877503737 /nfs/dbraw/zinc/50/37/37/877503737.db2.gz YPCLXSKWVRDRBM-MOPGFXCFSA-N 1 3 397.538 3.954 20 0 GHADHO CC(C)C[NH+]1CCC(NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 ZINC000717092066 877869654 /nfs/dbraw/zinc/86/96/54/877869654.db2.gz DYCVQPILPNIMHH-INIZCTEOSA-N 1 3 389.531 3.589 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 ZINC000717092066 877869668 /nfs/dbraw/zinc/86/96/68/877869668.db2.gz DYCVQPILPNIMHH-INIZCTEOSA-N 1 3 389.531 3.589 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3csc4ccccc34)c2)C1 ZINC000237922973 878304244 /nfs/dbraw/zinc/30/42/44/878304244.db2.gz PWAKQNWVWJWMQO-LJQANCHMSA-N 1 3 393.556 3.888 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3csc4ccccc34)c2)C1 ZINC000237922973 878304263 /nfs/dbraw/zinc/30/42/63/878304263.db2.gz PWAKQNWVWJWMQO-LJQANCHMSA-N 1 3 393.556 3.888 20 0 GHADHO Cc1cc(C)c(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000237909274 878314243 /nfs/dbraw/zinc/31/42/43/878314243.db2.gz QOJWVHIVRIYNNH-JOCHJYFZSA-N 1 3 379.548 3.599 20 0 GHADHO Cc1cc(C)c(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000237909274 878314259 /nfs/dbraw/zinc/31/42/59/878314259.db2.gz QOJWVHIVRIYNNH-JOCHJYFZSA-N 1 3 379.548 3.599 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)C2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC000530732281 878365477 /nfs/dbraw/zinc/36/54/77/878365477.db2.gz VQRWHNZCSRQBRP-UHFFFAOYSA-N 1 3 394.563 3.505 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852753455 878578684 /nfs/dbraw/zinc/57/86/84/878578684.db2.gz BHCAWGNKZROXBA-PZJWPPBQSA-N 1 3 398.595 3.716 20 0 GHADHO O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000852864381 878637323 /nfs/dbraw/zinc/63/73/23/878637323.db2.gz UKWOHCVTXRXDBO-UHFFFAOYSA-N 1 3 398.551 3.504 20 0 GHADHO O[C@@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(F)cc1F ZINC000853120016 878827173 /nfs/dbraw/zinc/82/71/73/878827173.db2.gz DSRSQSRQZAFLLS-AVRDEDQJSA-N 1 3 386.486 3.890 20 0 GHADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853241082 878924536 /nfs/dbraw/zinc/92/45/36/878924536.db2.gz UHMKZMZXXMZORA-UYAOXDASSA-N 1 3 397.563 3.553 20 0 GHADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853241657 878926660 /nfs/dbraw/zinc/92/66/60/878926660.db2.gz WTOFIUOEWDWBPK-HOJAQTOUSA-N 1 3 379.589 3.734 20 0 GHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000667054182 878954807 /nfs/dbraw/zinc/95/48/07/878954807.db2.gz UCRRZDAAIARPNB-RBBKRZOGSA-N 1 3 396.579 3.888 20 0 GHADHO CC(C)c1ccc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C(C)C)c1 ZINC000643085344 912453969 /nfs/dbraw/zinc/45/39/69/912453969.db2.gz MZKDIIQNLJPXPH-PKTZIBPZSA-N 1 3 398.595 3.654 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C[C@@H](C)O1 ZINC000790529579 879796003 /nfs/dbraw/zinc/79/60/03/879796003.db2.gz LVBDXFFSBOYYGU-QZTJIDSGSA-N 1 3 390.959 3.564 20 0 GHADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H](C)C1 ZINC000246959734 879864586 /nfs/dbraw/zinc/86/45/86/879864586.db2.gz HTYWFVFNTJUXCY-BJJXKVORSA-N 1 3 390.881 3.652 20 0 GHADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H](C)C1 ZINC000246959734 879864602 /nfs/dbraw/zinc/86/46/02/879864602.db2.gz HTYWFVFNTJUXCY-BJJXKVORSA-N 1 3 390.881 3.652 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247338042 879974846 /nfs/dbraw/zinc/97/48/46/879974846.db2.gz NLQVBAKXYMIGKV-JVICHNFNSA-N 1 3 396.575 3.876 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247338042 879974860 /nfs/dbraw/zinc/97/48/60/879974860.db2.gz NLQVBAKXYMIGKV-JVICHNFNSA-N 1 3 396.575 3.876 20 0 GHADHO CCOC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000790749336 879980065 /nfs/dbraw/zinc/98/00/65/879980065.db2.gz ZAHFLPLFLXPKCM-DSKNIHGZSA-N 1 3 399.579 3.934 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531705595 880333651 /nfs/dbraw/zinc/33/36/51/880333651.db2.gz PGGYYVUATCEGOJ-UYAOXDASSA-N 1 3 377.532 3.787 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000184753967 880374864 /nfs/dbraw/zinc/37/48/64/880374864.db2.gz XVGNJKVJUIOZBR-ROUUACIJSA-N 1 3 375.516 3.774 20 0 GHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cc(-c2ccccc2)nn1C ZINC000453070396 880391682 /nfs/dbraw/zinc/39/16/82/880391682.db2.gz VDYSWUCFEZYTDK-SFHVURJKSA-N 1 3 378.520 3.878 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453107265 880474374 /nfs/dbraw/zinc/47/43/74/880474374.db2.gz ICRZAMGIIDPWBL-RBZQAINGSA-N 1 3 399.623 3.909 20 0 GHADHO OCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000453147925 880513454 /nfs/dbraw/zinc/51/34/54/880513454.db2.gz ZIAPFQKEHVAGRS-VXNXHJTFSA-N 1 3 380.532 3.591 20 0 GHADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000429533469 881273955 /nfs/dbraw/zinc/27/39/55/881273955.db2.gz WTAGOTFAMUVDIE-SIKLNZKXSA-N 1 3 385.577 3.760 20 0 GHADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000429533469 881273973 /nfs/dbraw/zinc/27/39/73/881273973.db2.gz WTAGOTFAMUVDIE-SIKLNZKXSA-N 1 3 385.577 3.760 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490914 883141860 /nfs/dbraw/zinc/14/18/60/883141860.db2.gz SIIJKKXSYZKJJU-AEFFLSMTSA-N 1 3 390.572 3.797 20 0 GHADHO CCCO[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](OCCC)CC3)COC2)CC1 ZINC000182158981 883209218 /nfs/dbraw/zinc/20/92/18/883209218.db2.gz LDCLXIBWZUUFEU-SZPZYZBQSA-N 1 3 396.616 3.565 20 0 GHADHO CCCO[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@H](OCCC)CC3)COC2)CC1 ZINC000182158981 883209239 /nfs/dbraw/zinc/20/92/39/883209239.db2.gz LDCLXIBWZUUFEU-SZPZYZBQSA-N 1 3 396.616 3.565 20 0 GHADHO CCCO[C@@H]1CCC[N@@H+](CC2(CN3CCC[C@H](OCCC)CC3)COC2)CC1 ZINC000182158981 883209257 /nfs/dbraw/zinc/20/92/57/883209257.db2.gz LDCLXIBWZUUFEU-SZPZYZBQSA-N 1 3 396.616 3.565 20 0 GHADHO CCCO[C@@H]1CCC[N@H+](CC2(CN3CCC[C@H](OCCC)CC3)COC2)CC1 ZINC000182158981 883209278 /nfs/dbraw/zinc/20/92/78/883209278.db2.gz LDCLXIBWZUUFEU-SZPZYZBQSA-N 1 3 396.616 3.565 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000182805184 883219773 /nfs/dbraw/zinc/21/97/73/883219773.db2.gz FBKITWLACOWHBB-XXBNENTESA-N 1 3 396.604 3.953 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000182805184 883219786 /nfs/dbraw/zinc/21/97/86/883219786.db2.gz FBKITWLACOWHBB-XXBNENTESA-N 1 3 396.604 3.953 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455581 912710950 /nfs/dbraw/zinc/71/09/50/912710950.db2.gz YHWYDWZCFSQAOG-ZAAXVRCTSA-N 1 3 377.454 3.832 20 0 GHADHO Brc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000193985665 883618475 /nfs/dbraw/zinc/61/84/75/883618475.db2.gz MNGHUWYMTIQLBH-LIRRHRJNSA-N 1 3 379.342 3.527 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000194062450 883655396 /nfs/dbraw/zinc/65/53/96/883655396.db2.gz YBHJAJGIXVAOAN-AWEZNQCLSA-N 1 3 394.357 3.630 20 0 GHADHO Cc1ccc([C@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)N(C)C)cc1 ZINC000079308842 883782502 /nfs/dbraw/zinc/78/25/02/883782502.db2.gz KFLUKMCZADOEKI-FQEVSTJZSA-N 1 3 379.504 3.836 20 0 GHADHO CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170483726 883879998 /nfs/dbraw/zinc/87/99/98/883879998.db2.gz IOTPNKLHYQMVOF-UJMXGEILSA-N 1 3 379.589 3.827 20 0 GHADHO CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170483726 883880014 /nfs/dbraw/zinc/88/00/14/883880014.db2.gz IOTPNKLHYQMVOF-UJMXGEILSA-N 1 3 379.589 3.827 20 0 GHADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000760236789 884107031 /nfs/dbraw/zinc/10/70/31/884107031.db2.gz VGSZHYTWHZFTFD-HSZRJFAPSA-N 1 3 379.548 3.809 20 0 GHADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233123 884178125 /nfs/dbraw/zinc/17/81/25/884178125.db2.gz MRZUESYAXJMUGK-RYFAJOAYSA-N 1 3 386.580 3.564 20 0 GHADHO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234421 884187307 /nfs/dbraw/zinc/18/73/07/884187307.db2.gz XHSWYPSASNELNG-RDPSFJRHSA-N 1 3 394.559 3.758 20 0 GHADHO C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234421 884187313 /nfs/dbraw/zinc/18/73/13/884187313.db2.gz XHSWYPSASNELNG-RDPSFJRHSA-N 1 3 394.559 3.758 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234421 884187316 /nfs/dbraw/zinc/18/73/16/884187316.db2.gz XHSWYPSASNELNG-RDPSFJRHSA-N 1 3 394.559 3.758 20 0 GHADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000250049233 884535227 /nfs/dbraw/zinc/53/52/27/884535227.db2.gz VVIKVGCDGGXQDB-RBUKOAKNSA-N 1 3 392.613 3.552 20 0 GHADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000250049233 884535233 /nfs/dbraw/zinc/53/52/33/884535233.db2.gz VVIKVGCDGGXQDB-RBUKOAKNSA-N 1 3 392.613 3.552 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC000428548037 884606515 /nfs/dbraw/zinc/60/65/15/884606515.db2.gz DPBHOGBYXQURHD-HSZRJFAPSA-N 1 3 395.547 3.737 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC000428548037 884606527 /nfs/dbraw/zinc/60/65/27/884606527.db2.gz DPBHOGBYXQURHD-HSZRJFAPSA-N 1 3 395.547 3.737 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)N(C)C)cc1 ZINC000303075186 885448551 /nfs/dbraw/zinc/44/85/51/885448551.db2.gz QXUZAFZLJPOZCM-GOTSBHOMSA-N 1 3 394.563 3.734 20 0 GHADHO CC[C@@H](C)Oc1nccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170526213 885488088 /nfs/dbraw/zinc/48/80/88/885488088.db2.gz RFOBEHOWKLGSGB-QGZVFWFLSA-N 1 3 393.535 3.563 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN1CCC(C)CC1 ZINC000532454469 885520683 /nfs/dbraw/zinc/52/06/83/885520683.db2.gz YZVSVSRYFBJLIV-SFHVURJKSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[NH+]1CCC(C)CC1 ZINC000532454469 885520694 /nfs/dbraw/zinc/52/06/94/885520694.db2.gz YZVSVSRYFBJLIV-SFHVURJKSA-N 1 3 379.976 3.789 20 0 GHADHO CN(C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000762321998 886029611 /nfs/dbraw/zinc/02/96/11/886029611.db2.gz YOHAGAKSYQWYQP-VNXZQDSDSA-N 1 3 398.595 3.699 20 0 GHADHO CC(C)[C@@H](c1ccccc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112747089 886272340 /nfs/dbraw/zinc/27/23/40/886272340.db2.gz MBCWQGUCOLUPPH-QFIPXVFZSA-N 1 3 386.584 3.584 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(Br)n1 ZINC000794462362 886747276 /nfs/dbraw/zinc/74/72/76/886747276.db2.gz NDZYLUYGHYESGE-UHFFFAOYSA-N 1 3 389.341 3.978 20 0 GHADHO CC(C)(C)N1CCC([NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000809608163 887579330 /nfs/dbraw/zinc/57/93/30/887579330.db2.gz OCDRNNVOZPDPFR-UHFFFAOYSA-N 1 3 387.568 3.888 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccccc3)CC3CCC3)CC2)CC1 ZINC000051761695 887782261 /nfs/dbraw/zinc/78/22/61/887782261.db2.gz HETKTFHZSLOWRF-UHFFFAOYSA-N 1 3 398.595 3.557 20 0 GHADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404341 913189088 /nfs/dbraw/zinc/18/90/88/913189088.db2.gz GODPDJLVQPXRGY-LMNJBCLMSA-N 1 3 391.987 3.787 20 0 GHADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404341 913189092 /nfs/dbraw/zinc/18/90/92/913189092.db2.gz GODPDJLVQPXRGY-LMNJBCLMSA-N 1 3 391.987 3.787 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001131900839 887888228 /nfs/dbraw/zinc/88/82/28/887888228.db2.gz KYROLYAHOUKPJU-QHCPKHFHSA-N 1 3 389.559 3.617 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000054698689 888031918 /nfs/dbraw/zinc/03/19/18/888031918.db2.gz PDMGCSNKZCUFCX-SIKLNZKXSA-N 1 3 386.584 3.584 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000054698689 888031924 /nfs/dbraw/zinc/03/19/24/888031924.db2.gz PDMGCSNKZCUFCX-SIKLNZKXSA-N 1 3 386.584 3.584 20 0 GHADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184408861 913207242 /nfs/dbraw/zinc/20/72/42/913207242.db2.gz XTLNKZRBZJYVRU-HOJAQTOUSA-N 1 3 377.960 3.541 20 0 GHADHO COc1ccc2c(CN3CCC(CCC[NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000121603719 889052345 /nfs/dbraw/zinc/05/23/45/889052345.db2.gz PMLYNSWOQSIAIO-UHFFFAOYSA-N 1 3 384.520 3.890 20 0 GHADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)CO[C@@H]1CCCc2ccccc21 ZINC000644513820 913327063 /nfs/dbraw/zinc/32/70/63/913327063.db2.gz VJSUYJKSMBHHRV-UKILVPOCSA-N 1 3 394.559 3.827 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000454594026 889348163 /nfs/dbraw/zinc/34/81/63/889348163.db2.gz AGLIJAQCSLIHRS-FQEVSTJZSA-N 1 3 398.595 3.557 20 0 GHADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000644531068 913342093 /nfs/dbraw/zinc/34/20/93/913342093.db2.gz YQPSHGKFAUDYDW-PKTZIBPZSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644531068 913342127 /nfs/dbraw/zinc/34/21/27/913342127.db2.gz YQPSHGKFAUDYDW-PKTZIBPZSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000644530608 913345806 /nfs/dbraw/zinc/34/58/06/913345806.db2.gz KPMPLAFLOZMFKJ-DHIUTWEWSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644530608 913345815 /nfs/dbraw/zinc/34/58/15/913345815.db2.gz KPMPLAFLOZMFKJ-DHIUTWEWSA-N 1 3 382.548 3.545 20 0 GHADHO CCOc1ccc(OC[C@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000644569837 913372752 /nfs/dbraw/zinc/37/27/52/913372752.db2.gz FGOJYKQLEUSWHZ-SIKLNZKXSA-N 1 3 398.547 3.640 20 0 GHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126735794 890670403 /nfs/dbraw/zinc/67/04/03/890670403.db2.gz LJOCZIUIYMKGST-DEOSSOPVSA-N 1 3 379.548 3.610 20 0 GHADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCc4c3ccc(Cl)c4Cl)c2)nn1 ZINC000873247514 891548193 /nfs/dbraw/zinc/54/81/93/891548193.db2.gz OSQJSSSOYJNZAL-SFHVURJKSA-N 1 3 388.302 3.810 20 0 GHADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCSc4ccc(Cl)cc43)c2)nn1 ZINC000873247637 891548587 /nfs/dbraw/zinc/54/85/87/891548587.db2.gz QYPWWQNBWDGZAF-SFHVURJKSA-N 1 3 385.924 3.706 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000497430865 891564771 /nfs/dbraw/zinc/56/47/71/891564771.db2.gz BMBUESLAEIQHIF-SESVDKBCSA-N 1 3 398.551 3.673 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000497430865 891564779 /nfs/dbraw/zinc/56/47/79/891564779.db2.gz BMBUESLAEIQHIF-SESVDKBCSA-N 1 3 398.551 3.673 20 0 GHADHO CCOC1CCN(Cc2cc(C[NH+]3CCC(OCC)CC3)cc(OC)c2)CC1 ZINC000644990690 913588600 /nfs/dbraw/zinc/58/86/00/913588600.db2.gz VQFREPGQDSWWSM-UHFFFAOYSA-N 1 3 390.568 3.697 20 0 GHADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497566237 891904627 /nfs/dbraw/zinc/90/46/27/891904627.db2.gz OAKSSEWJUBXANZ-HSZRJFAPSA-N 1 3 398.595 3.605 20 0 GHADHO COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC(N(C)Cc4ccncc4)C3)CC1)C2 ZINC001168272348 891914539 /nfs/dbraw/zinc/91/45/39/891914539.db2.gz LKBJPLSDIRYSNZ-JOCHJYFZSA-N 1 3 391.559 3.934 20 0 GHADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287972133 913609012 /nfs/dbraw/zinc/60/90/12/913609012.db2.gz JODYWKNHSOUQOP-GCJKJVERSA-N 1 3 398.551 3.577 20 0 GHADHO Cc1cc([C@H](N)CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc(Cl)n1 ZINC000825720785 892069731 /nfs/dbraw/zinc/06/97/31/892069731.db2.gz DXHIQYZNRBWQRK-GOSISDBHSA-N 1 3 392.975 3.738 20 0 GHADHO O=C(NC[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261794671 892120087 /nfs/dbraw/zinc/12/00/87/892120087.db2.gz IMTIIVKJPXZFIW-NZQKXSOJSA-N 1 3 393.531 3.559 20 0 GHADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000069160489 893176203 /nfs/dbraw/zinc/17/62/03/893176203.db2.gz VAFMPMOLHPHKEY-IBGZPJMESA-N 1 3 387.524 3.701 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](C3CCC3)C3CCCCC3)CC2)CC1 ZINC000645205271 913753096 /nfs/dbraw/zinc/75/30/96/913753096.db2.gz NUNMYUDLQODJLZ-JOCHJYFZSA-N 1 3 390.616 3.593 20 0 GHADHO C[C@@H]1CN(c2ccccc2CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000459393147 893449052 /nfs/dbraw/zinc/44/90/52/893449052.db2.gz VKOYCIYRWVZIFV-WOJBJXKFSA-N 1 3 399.604 3.975 20 0 GHADHO C[C@@H]1CN(c2ccccc2CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1 ZINC000459393147 893449064 /nfs/dbraw/zinc/44/90/64/893449064.db2.gz VKOYCIYRWVZIFV-WOJBJXKFSA-N 1 3 399.604 3.975 20 0 GHADHO CCCN1CCN(c2ccccc2CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000536659779 893465368 /nfs/dbraw/zinc/46/53/68/893465368.db2.gz WYIIQRRMKZRTGZ-PKTZIBPZSA-N 1 3 384.612 3.666 20 0 GHADHO CCCN1CCN(c2ccccc2CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000536659779 893465375 /nfs/dbraw/zinc/46/53/75/893465375.db2.gz WYIIQRRMKZRTGZ-PKTZIBPZSA-N 1 3 384.612 3.666 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@@H](C)C1 ZINC000459411036 893472589 /nfs/dbraw/zinc/47/25/89/893472589.db2.gz IOKLWLUMBRYSBP-YJBOKZPZSA-N 1 3 390.597 3.808 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C4CC4)cc3F)CC2)CC1 ZINC000563403168 893693649 /nfs/dbraw/zinc/69/36/49/893693649.db2.gz WHTUAAVCPKGWBP-UHFFFAOYSA-N 1 3 387.543 3.516 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cn1C ZINC000564128711 894628307 /nfs/dbraw/zinc/62/83/07/894628307.db2.gz FGJZHNJXPMRTSA-ROUUACIJSA-N 1 3 383.536 3.579 20 0 GHADHO CC(C)CCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000564629353 895141000 /nfs/dbraw/zinc/14/10/00/895141000.db2.gz BIEDRBZIEWHGLZ-UHFFFAOYSA-N 1 3 386.584 3.955 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)CC1 ZINC000879593857 895156259 /nfs/dbraw/zinc/15/62/59/895156259.db2.gz POADVSJIRCHEFX-UHFFFAOYSA-N 1 3 397.538 3.617 20 0 GHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000817892919 895952749 /nfs/dbraw/zinc/95/27/49/895952749.db2.gz WWFNGYFZTBMAEP-LERMDLETSA-N 1 3 393.487 3.550 20 0 GHADHO [NH3+]CCc1ccc(CN[C@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000817947649 895974110 /nfs/dbraw/zinc/97/41/10/895974110.db2.gz DVUQQQWCVDZFCN-SFHVURJKSA-N 1 3 375.310 3.954 20 0 GHADHO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000289118156 914041740 /nfs/dbraw/zinc/04/17/40/914041740.db2.gz DGZDIUJCCQWUFU-WQJYWUQFSA-N 1 3 382.552 3.794 20 0 GHADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000818942821 896285146 /nfs/dbraw/zinc/28/51/46/896285146.db2.gz KTUQPRPYVWGSDZ-FQEVSTJZSA-N 1 3 389.337 3.868 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000566456702 896324112 /nfs/dbraw/zinc/32/41/12/896324112.db2.gz HPBLMAQARKRLOX-LEWJYISDSA-N 1 3 389.971 3.508 20 0 GHADHO O[C@@H](CNC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1Cl ZINC000819275892 896560900 /nfs/dbraw/zinc/56/09/00/896560900.db2.gz VWRLBRKEXNUENK-KVULBXGLSA-N 1 3 376.850 3.768 20 0 GHADHO Cc1ccc([C@H](O)CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333855 896577599 /nfs/dbraw/zinc/57/75/99/896577599.db2.gz RGUJTVJFPVVIPI-DNQXCXABSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccc([C@H](O)CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333855 896577611 /nfs/dbraw/zinc/57/76/11/896577611.db2.gz RGUJTVJFPVVIPI-DNQXCXABSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333855 896577617 /nfs/dbraw/zinc/57/76/17/896577617.db2.gz RGUJTVJFPVVIPI-DNQXCXABSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000567103533 896876828 /nfs/dbraw/zinc/87/68/28/896876828.db2.gz HSCLOFXYHOWQBN-QFZRFWILSA-N 1 3 394.559 3.536 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000567176552 896940120 /nfs/dbraw/zinc/94/01/20/896940120.db2.gz IHMBRZLMAUSPJT-INIZCTEOSA-N 1 3 393.522 3.681 20 0 GHADHO CNC(=O)c1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000820808510 897536943 /nfs/dbraw/zinc/53/69/43/897536943.db2.gz HTLKJZHTMVGYRR-NOTZXAQLSA-N 1 3 377.532 3.722 20 0 GHADHO CN(C)Cc1ccc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000132564156 897829876 /nfs/dbraw/zinc/82/98/76/897829876.db2.gz WBTVCAJEFOSYLM-UHFFFAOYSA-N 1 3 394.563 3.779 20 0 GHADHO CN(C)Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1 ZINC000102911148 898046825 /nfs/dbraw/zinc/04/68/25/898046825.db2.gz NIOQAOBYXRVVRR-UHFFFAOYSA-N 1 3 398.526 3.670 20 0 GHADHO Cc1cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc(N2CCCC2)n1 ZINC000289655260 914281532 /nfs/dbraw/zinc/28/15/32/914281532.db2.gz GLHPISHDDIFMSJ-IBGZPJMESA-N 1 3 382.552 3.781 20 0 GHADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000331689379 899084762 /nfs/dbraw/zinc/08/47/62/899084762.db2.gz AZWVRXNFGVOQME-PXAZEXFGSA-N 1 3 398.320 3.802 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCc3ccc(Cl)cc3)CC2)CC1 ZINC000572421487 900178531 /nfs/dbraw/zinc/17/85/31/900178531.db2.gz AHKMHYWGDAKBBP-UHFFFAOYSA-N 1 3 391.987 3.537 20 0 GHADHO CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 ZINC000886522369 901118452 /nfs/dbraw/zinc/11/84/52/901118452.db2.gz HUIUMLDIMMNAQY-QTJGBDASSA-N 1 3 377.532 3.830 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000575248961 901181122 /nfs/dbraw/zinc/18/11/22/901181122.db2.gz ZDAMOQNZZLZYNK-DYESRHJHSA-N 1 3 388.939 3.895 20 0 GHADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1)N1CCCCC1 ZINC000886605333 901185987 /nfs/dbraw/zinc/18/59/87/901185987.db2.gz OEBOUCFYHYGGAD-QOXFPCGXSA-N 1 3 395.591 3.810 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H](c3ccccc3)C3CC3)c2)C1 ZINC000091335387 901444862 /nfs/dbraw/zinc/44/48/62/901444862.db2.gz PUKYNQRLLQQTOC-GOTSBHOMSA-N 1 3 377.532 3.625 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H](c3ccccc3)C3CC3)c2)C1 ZINC000091335387 901444869 /nfs/dbraw/zinc/44/48/69/901444869.db2.gz PUKYNQRLLQQTOC-GOTSBHOMSA-N 1 3 377.532 3.625 20 0 GHADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1OCc1ccncc1 ZINC000092380979 901491139 /nfs/dbraw/zinc/49/11/39/901491139.db2.gz BTMGSRCJKJZHOE-UHFFFAOYSA-N 1 3 383.536 3.833 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3Cl)CC2)CC1 ZINC000576051282 901620239 /nfs/dbraw/zinc/62/02/39/901620239.db2.gz CFUCBIRMPXYACM-OAHLLOKOSA-N 1 3 395.950 3.853 20 0 GHADHO Cc1c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cccc1C(F)(F)F ZINC000122202188 901745746 /nfs/dbraw/zinc/74/57/46/901745746.db2.gz KACBZQRVVMGQOI-UHFFFAOYSA-N 1 3 398.473 3.694 20 0 GHADHO C[NH+]1CCC(CN2CCN([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)CC2)CC1 ZINC001171171391 901972395 /nfs/dbraw/zinc/97/23/95/901972395.db2.gz GHKLWAMIFCRSLW-LJQANCHMSA-N 1 3 396.406 3.810 20 0 GHADHO CC[N@H+](CCCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1)C1CCCCC1 ZINC000846687879 903137758 /nfs/dbraw/zinc/13/77/58/903137758.db2.gz JJSNSIKKVWQUTE-SFHVURJKSA-N 1 3 380.964 3.594 20 0 GHADHO CC[N@@H+](CCCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1)C1CCCCC1 ZINC000846687879 903137763 /nfs/dbraw/zinc/13/77/63/903137763.db2.gz JJSNSIKKVWQUTE-SFHVURJKSA-N 1 3 380.964 3.594 20 0 GHADHO COCc1cc([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1OC ZINC000132748140 903302534 /nfs/dbraw/zinc/30/25/34/903302534.db2.gz XJYHRRNWJCJUAP-SFHVURJKSA-N 1 3 398.547 3.649 20 0 GHADHO C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCC(Cc2ccccc2)CC1 ZINC001148164850 904000930 /nfs/dbraw/zinc/00/09/30/904000930.db2.gz HMTBHQGLPRZRHV-OFNKIYASSA-N 1 3 385.596 3.662 20 0 GHADHO C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCC(Cc2ccccc2)CC1 ZINC001148164850 904000945 /nfs/dbraw/zinc/00/09/45/904000945.db2.gz HMTBHQGLPRZRHV-OFNKIYASSA-N 1 3 385.596 3.662 20 0 GHADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001171673996 904916161 /nfs/dbraw/zinc/91/61/61/904916161.db2.gz IMFYGCYORJPOSY-NQHRYMMQSA-N 1 3 393.575 3.934 20 0 GHADHO Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001171673996 904916172 /nfs/dbraw/zinc/91/61/72/904916172.db2.gz IMFYGCYORJPOSY-NQHRYMMQSA-N 1 3 393.575 3.934 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1(C)C ZINC001171638637 904927503 /nfs/dbraw/zinc/92/75/03/904927503.db2.gz YDZGEUSESFLPNG-WMZHIEFXSA-N 1 3 387.568 3.735 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1(C)C ZINC001171638637 904927511 /nfs/dbraw/zinc/92/75/11/904927511.db2.gz YDZGEUSESFLPNG-WMZHIEFXSA-N 1 3 387.568 3.735 20 0 GHADHO C[C@@H]1C[C@H](N[C@@H](C[NH3+])c2ccc(Br)cc2)CN1Cc1ccccc1 ZINC001171731620 904958859 /nfs/dbraw/zinc/95/88/59/904958859.db2.gz CHJDBDYNDSCZBC-XPGWFJOJSA-N 1 3 388.353 3.702 20 0 GHADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967453 905175797 /nfs/dbraw/zinc/17/57/97/905175797.db2.gz ACOPMPFQJHVWAQ-MJGOQNOKSA-N 1 3 375.557 3.932 20 0 GHADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967453 905175805 /nfs/dbraw/zinc/17/58/05/905175805.db2.gz ACOPMPFQJHVWAQ-MJGOQNOKSA-N 1 3 375.557 3.932 20 0 GHADHO NCc1ccc2c(n1)N([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CCC2 ZINC001172073415 905275836 /nfs/dbraw/zinc/27/58/36/905275836.db2.gz QKMMWPWTQSOBRE-NUNAXRQHSA-N 1 3 376.548 3.879 20 0 GHADHO NCc1ccc2c(n1)N([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCC2 ZINC001172073415 905275853 /nfs/dbraw/zinc/27/58/53/905275853.db2.gz QKMMWPWTQSOBRE-NUNAXRQHSA-N 1 3 376.548 3.879 20 0 GHADHO O=C1CCCN1C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172084577 905298455 /nfs/dbraw/zinc/29/84/55/905298455.db2.gz YVHBJQUWBRCEJI-NUNAXRQHSA-N 1 3 381.564 3.659 20 0 GHADHO O=C1CCCN1C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172084577 905298471 /nfs/dbraw/zinc/29/84/71/905298471.db2.gz YVHBJQUWBRCEJI-NUNAXRQHSA-N 1 3 381.564 3.659 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172105626 905353877 /nfs/dbraw/zinc/35/38/77/905353877.db2.gz JCYFHKYEYYGBPZ-RZIOSVHNSA-N 1 3 377.573 3.581 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172105626 905353888 /nfs/dbraw/zinc/35/38/88/905353888.db2.gz JCYFHKYEYYGBPZ-RZIOSVHNSA-N 1 3 377.573 3.581 20 0 GHADHO COc1ccc(CN2CCCC[C@H]2C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172122459 905382553 /nfs/dbraw/zinc/38/25/53/905382553.db2.gz BJNWHMJIKVPSBE-BJESRGMDSA-N 1 3 385.596 3.997 20 0 GHADHO COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172122459 905382569 /nfs/dbraw/zinc/38/25/69/905382569.db2.gz BJNWHMJIKVPSBE-BJESRGMDSA-N 1 3 385.596 3.997 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172524327 905584642 /nfs/dbraw/zinc/58/46/42/905584642.db2.gz YBRDKGANHHDSHQ-IACLWVNRSA-N 1 3 383.580 3.780 20 0 GHADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001172574368 905635827 /nfs/dbraw/zinc/63/58/27/905635827.db2.gz PEQURQQRRQAOIV-OAHLLOKOSA-N 1 3 385.930 3.651 20 0 GHADHO CC(C)[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000176289469 905809529 /nfs/dbraw/zinc/80/95/29/905809529.db2.gz ROMQPVGDBGPLCG-OAQYLSRUSA-N 1 3 391.987 3.754 20 0 GHADHO C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001172850667 905904192 /nfs/dbraw/zinc/90/41/92/905904192.db2.gz LLGMDPYWIJPHNV-INIZCTEOSA-N 1 3 390.934 3.761 20 0 GHADHO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001172850667 905904198 /nfs/dbraw/zinc/90/41/98/905904198.db2.gz LLGMDPYWIJPHNV-INIZCTEOSA-N 1 3 390.934 3.761 20 0 GHADHO CC[NH+](CC)C1CCC(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)CC1 ZINC001173109528 906194536 /nfs/dbraw/zinc/19/45/36/906194536.db2.gz CHFQXJVCTSOUTQ-XEVCZEQESA-N 1 3 375.605 3.753 20 0 GHADHO CC[NH+](CC)C1CCC(N2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1 ZINC001173117463 906205291 /nfs/dbraw/zinc/20/52/91/906205291.db2.gz MNXWERWVINIHHH-UHFFFAOYSA-N 1 3 392.609 3.923 20 0 GHADHO COc1cccc2c1C[C@H]([NH+]1CCC3(CN(Cc4ccccc4)C3)CC1)CO2 ZINC001173165913 906223391 /nfs/dbraw/zinc/22/33/91/906223391.db2.gz PRDBHYLYUZFOTJ-FQEVSTJZSA-N 1 3 378.516 3.597 20 0 GHADHO COc1cccc2c1C[C@H](N1CCC3(C[NH+](Cc4ccccc4)C3)CC1)CO2 ZINC001173165913 906223402 /nfs/dbraw/zinc/22/34/02/906223402.db2.gz PRDBHYLYUZFOTJ-FQEVSTJZSA-N 1 3 378.516 3.597 20 0 GHADHO CN1CCN(Cc2ccccc2C[NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173197846 906282796 /nfs/dbraw/zinc/28/27/96/906282796.db2.gz KTIMZGKRIRTEQZ-UHFFFAOYSA-N 1 3 393.575 3.914 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H](N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662263 906600013 /nfs/dbraw/zinc/60/00/13/906600013.db2.gz WQHVPQJXIZAXAM-WIYYLYMNSA-N 1 3 376.516 3.844 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H](N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662263 906600017 /nfs/dbraw/zinc/60/00/17/906600017.db2.gz WQHVPQJXIZAXAM-WIYYLYMNSA-N 1 3 376.516 3.844 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 ZINC001173709622 906659496 /nfs/dbraw/zinc/65/94/96/906659496.db2.gz PDTGZTOKMXDJFK-LWZKNFMGSA-N 1 3 392.543 3.904 20 0 GHADHO COc1cc(C)c([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000182226091 907161469 /nfs/dbraw/zinc/16/14/69/907161469.db2.gz UIBOZFDHIFRWMY-WIYYLYMNSA-N 1 3 398.547 3.820 20 0 GHADHO COc1cc(C)c([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000182226091 907161476 /nfs/dbraw/zinc/16/14/76/907161476.db2.gz UIBOZFDHIFRWMY-WIYYLYMNSA-N 1 3 398.547 3.820 20 0 GHADHO COCc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1OC ZINC000182228935 907163503 /nfs/dbraw/zinc/16/35/03/907163503.db2.gz BZYFPMMBTUSUGI-WZONZLPQSA-N 1 3 398.547 3.649 20 0 GHADHO COCc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1OC ZINC000182228935 907163511 /nfs/dbraw/zinc/16/35/11/907163511.db2.gz BZYFPMMBTUSUGI-WZONZLPQSA-N 1 3 398.547 3.649 20 0 GHADHO CC(C)N1CCCC[C@H]1C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001175690418 907695475 /nfs/dbraw/zinc/69/54/75/907695475.db2.gz XYJDVPAYHUVKGN-YFNKSVMNSA-N 1 3 385.596 3.615 20 0 GHADHO CC(C)N1CCCC[C@H]1C[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001175690418 907695481 /nfs/dbraw/zinc/69/54/81/907695481.db2.gz XYJDVPAYHUVKGN-YFNKSVMNSA-N 1 3 385.596 3.615 20 0 GHADHO CC[NH+]1CCN(c2ccc(Nc3ccc(N4CCN(C)CC4)cc3C)cc2)CC1 ZINC001175781557 907741708 /nfs/dbraw/zinc/74/17/08/907741708.db2.gz WEQJASAHRNLCJU-UHFFFAOYSA-N 1 3 393.579 3.632 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCc2cccc3cccc1c32)c1ccccc1 ZINC001176336764 908039902 /nfs/dbraw/zinc/03/99/02/908039902.db2.gz UWQZICAHMDNNJR-XZOQPEGZSA-N 1 3 387.527 3.836 20 0 GHADHO C[C@@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC001177416774 908570070 /nfs/dbraw/zinc/57/00/70/908570070.db2.gz WKJYHYJSLSZZDC-GJZGRUSLSA-N 1 3 381.483 3.544 20 0 GHADHO C[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CN1CCCCC1 ZINC001177416774 908570082 /nfs/dbraw/zinc/57/00/82/908570082.db2.gz WKJYHYJSLSZZDC-GJZGRUSLSA-N 1 3 381.483 3.544 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Br)cs1 ZINC000194169305 908921744 /nfs/dbraw/zinc/92/17/44/908921744.db2.gz HAOLMBULBTVGAE-GUYCJALGSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Br)cs1 ZINC000194169305 908921757 /nfs/dbraw/zinc/92/17/57/908921757.db2.gz HAOLMBULBTVGAE-GUYCJALGSA-N 1 3 395.366 3.928 20 0 GHADHO CN1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccc(Br)cc1 ZINC000638377314 910135444 /nfs/dbraw/zinc/13/54/44/910135444.db2.gz PJKYKVAXDWRSCA-FYQPLNBISA-N 1 3 392.385 3.801 20 0 GHADHO CN1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccc(Br)cc1 ZINC000638377314 910135451 /nfs/dbraw/zinc/13/54/51/910135451.db2.gz PJKYKVAXDWRSCA-FYQPLNBISA-N 1 3 392.385 3.801 20 0 GHADHO CC(C)(O)CN1CCC([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000638449839 910155678 /nfs/dbraw/zinc/15/56/78/910155678.db2.gz WOAVKMHHOUBRCI-UHFFFAOYSA-N 1 3 387.568 3.530 20 0 GHADHO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCCCN3CCc4ccccc4C3)c2)C1 ZINC001182338349 911506529 /nfs/dbraw/zinc/50/65/29/911506529.db2.gz DTUVIOSSOGDLIX-QHCPKHFHSA-N 1 3 391.559 3.674 20 0 GHADHO C[N@H+]1CCC[C@H](c2cccc(C(=O)NCCCN3CCc4ccccc4C3)c2)C1 ZINC001182338349 911506540 /nfs/dbraw/zinc/50/65/40/911506540.db2.gz DTUVIOSSOGDLIX-QHCPKHFHSA-N 1 3 391.559 3.674 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000284076730 911744452 /nfs/dbraw/zinc/74/44/52/911744452.db2.gz UVUSERRIFJUYPE-UHFFFAOYSA-N 1 3 378.973 3.581 20 0 GHADHO CCOC[C@@H]1CC[N@@H+](Cc2ccc(F)c(CN3CC[C@H](COCC)C3)c2)C1 ZINC000294865699 917020353 /nfs/dbraw/zinc/02/03/53/917020353.db2.gz DIUIIJRXKMRQIH-UXHICEINSA-N 1 3 378.532 3.543 20 0 GHADHO CCOC[C@@H]1CC[N@H+](Cc2ccc(F)c(CN3CC[C@H](COCC)C3)c2)C1 ZINC000294865699 917020370 /nfs/dbraw/zinc/02/03/70/917020370.db2.gz DIUIIJRXKMRQIH-UXHICEINSA-N 1 3 378.532 3.543 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000650707272 917243564 /nfs/dbraw/zinc/24/35/64/917243564.db2.gz BZDHDRGOTVARBC-LZJOCLMNSA-N 1 3 377.960 3.659 20 0 GHADHO CCCOc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OCC ZINC000650722197 917248673 /nfs/dbraw/zinc/24/86/73/917248673.db2.gz MYLRHUISWUMFOQ-ZVDOUQERSA-N 1 3 376.541 3.735 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650724857 917249956 /nfs/dbraw/zinc/24/99/56/917249956.db2.gz NOXKPHLRHDJEJL-CEMLEFRQSA-N 1 3 380.536 3.710 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001190790639 917566871 /nfs/dbraw/zinc/56/68/71/917566871.db2.gz BHSIHMBCXRYDBC-HSZRJFAPSA-N 1 3 399.579 3.984 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001190790639 917566877 /nfs/dbraw/zinc/56/68/77/917566877.db2.gz BHSIHMBCXRYDBC-HSZRJFAPSA-N 1 3 399.579 3.984 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775493452 918344982 /nfs/dbraw/zinc/34/49/82/918344982.db2.gz SOIKXHOTDNTENW-WIYYLYMNSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363548159 918397920 /nfs/dbraw/zinc/39/79/20/918397920.db2.gz WTQWAZMZGRLUBO-BMFZPTHFSA-N 1 3 385.430 3.519 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363548159 918397942 /nfs/dbraw/zinc/39/79/42/918397942.db2.gz WTQWAZMZGRLUBO-BMFZPTHFSA-N 1 3 385.430 3.519 20 0 GHADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc(-n3ccnc3)nc2)ccc1OC ZINC000367660955 922256518 /nfs/dbraw/zinc/25/65/18/922256518.db2.gz OMSDUSCWUGRXBN-GOSISDBHSA-N 1 3 393.535 3.969 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903218754 922863925 /nfs/dbraw/zinc/86/39/25/922863925.db2.gz DBKOYFRNOPDFKW-UNPWZGGWSA-N 1 3 399.526 3.626 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903218754 922863926 /nfs/dbraw/zinc/86/39/26/922863926.db2.gz DBKOYFRNOPDFKW-UNPWZGGWSA-N 1 3 399.526 3.626 20 0 GHADHO Cc1c(C[C@H](CN)C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)cnn1C ZINC000903919259 923399468 /nfs/dbraw/zinc/39/94/68/923399468.db2.gz CDRHUPDXCJAQQQ-AZUAARDMSA-N 1 3 376.548 3.656 20 0 GHADHO COc1cc(C[NH2+]C[C@H]2CNCCC2(F)F)ccc1OCc1cccs1 ZINC000903957427 923436830 /nfs/dbraw/zinc/43/68/30/923436830.db2.gz QRLWBERBOCKUOR-OAHLLOKOSA-N 1 3 382.476 3.670 20 0 GHADHO C[C@H](C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1cccc(Br)c1 ZINC000370704507 924266682 /nfs/dbraw/zinc/26/66/82/924266682.db2.gz ZPFCCQSKQCPGLQ-UWVAXJGDSA-N 1 3 394.401 3.510 20 0 GHADHO C[C@H](C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1cccc(Br)c1 ZINC000370704507 924266685 /nfs/dbraw/zinc/26/66/85/924266685.db2.gz ZPFCCQSKQCPGLQ-UWVAXJGDSA-N 1 3 394.401 3.510 20 0 GHADHO C(CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678637775 924858102 /nfs/dbraw/zinc/85/81/02/924858102.db2.gz CEVDYTOFOOOJLP-ODAXIHTASA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678637775 924858109 /nfs/dbraw/zinc/85/81/09/924858109.db2.gz CEVDYTOFOOOJLP-ODAXIHTASA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@H](C[C@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637775 924858118 /nfs/dbraw/zinc/85/81/18/924858118.db2.gz CEVDYTOFOOOJLP-ODAXIHTASA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@H](C[C@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637775 924858147 /nfs/dbraw/zinc/85/81/47/924858147.db2.gz CEVDYTOFOOOJLP-ODAXIHTASA-N 1 3 378.601 3.654 20 0 GHADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC12CCCCC2 ZINC000372079487 925129923 /nfs/dbraw/zinc/12/99/23/925129923.db2.gz ZQMKUSZEBJYZRQ-LJQANCHMSA-N 1 3 390.616 3.547 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000410357097 925557939 /nfs/dbraw/zinc/55/79/39/925557939.db2.gz ZQGZUDOBEUPTTN-FQEVSTJZSA-N 1 3 398.595 3.688 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000410357097 925557946 /nfs/dbraw/zinc/55/79/46/925557946.db2.gz ZQGZUDOBEUPTTN-FQEVSTJZSA-N 1 3 398.595 3.688 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410373342 925585655 /nfs/dbraw/zinc/58/56/55/925585655.db2.gz XEAVGFDREMQZGW-FQEVSTJZSA-N 1 3 388.600 3.648 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410373342 925585650 /nfs/dbraw/zinc/58/56/50/925585650.db2.gz XEAVGFDREMQZGW-FQEVSTJZSA-N 1 3 388.600 3.648 20 0 GHADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000682658503 926201108 /nfs/dbraw/zinc/20/11/08/926201108.db2.gz GXIWUDSYKJIQPJ-QFIPXVFZSA-N 1 3 386.584 3.731 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000411788220 926773163 /nfs/dbraw/zinc/77/31/63/926773163.db2.gz GJCVSYSXXWCPSS-BZSNNMDCSA-N 1 3 375.582 3.744 20 0 GHADHO CC[C@@H](N[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000411894298 926887734 /nfs/dbraw/zinc/88/77/34/926887734.db2.gz QFFOZDBQGQRTEY-AUSIDOKSSA-N 1 3 379.548 3.897 20 0 GHADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(CN2CCCCC2)c1 ZINC000412298536 927309642 /nfs/dbraw/zinc/30/96/42/927309642.db2.gz GAHGOMQQXMFPMU-HSZRJFAPSA-N 1 3 391.559 3.924 20 0 GHADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CN2CCCCC2)c1 ZINC000412298536 927309653 /nfs/dbraw/zinc/30/96/53/927309653.db2.gz GAHGOMQQXMFPMU-HSZRJFAPSA-N 1 3 391.559 3.924 20 0 GHADHO CC(C)[NH+](CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(C)C ZINC000470464240 930637605 /nfs/dbraw/zinc/63/76/05/930637605.db2.gz GUCCRSMVKAMUAW-SFHVURJKSA-N 1 3 380.602 3.693 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)c(F)c1 ZINC000781419867 930836417 /nfs/dbraw/zinc/83/64/17/930836417.db2.gz FSDIOAOEQASPTH-BZRIBIQUSA-N 1 3 386.486 3.889 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)c(F)c1 ZINC000781419867 930836426 /nfs/dbraw/zinc/83/64/26/930836426.db2.gz FSDIOAOEQASPTH-BZRIBIQUSA-N 1 3 386.486 3.889 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000470719289 930852400 /nfs/dbraw/zinc/85/24/00/930852400.db2.gz DSXVCDCSMNDRFU-QFIPXVFZSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470896293 931007675 /nfs/dbraw/zinc/00/76/75/931007675.db2.gz FCPNWSDJHRGKBQ-PKTZIBPZSA-N 1 3 398.595 3.557 20 0 GHADHO CN(C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470896293 931007684 /nfs/dbraw/zinc/00/76/84/931007684.db2.gz FCPNWSDJHRGKBQ-PKTZIBPZSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CN(Cc2cccc(CN3C[C@@H](C4CC4)O[C@@H](C)C3)c2)C[C@H](C2CC2)O1 ZINC000470922781 931036031 /nfs/dbraw/zinc/03/60/31/931036031.db2.gz GSCMPNQJUJLJJF-LYWNTADJSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1CN(Cc2cccc(C[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)c2)C[C@H](C2CC2)O1 ZINC000470922781 931036034 /nfs/dbraw/zinc/03/60/34/931036034.db2.gz GSCMPNQJUJLJJF-LYWNTADJSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1CN(Cc2cccc(C[N@@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)c2)C[C@H](C2CC2)O1 ZINC000470922781 931036035 /nfs/dbraw/zinc/03/60/35/931036035.db2.gz GSCMPNQJUJLJJF-LYWNTADJSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2cccc(CN3C[C@@H](C4CC4)O[C@@H](C)C3)c2)C[C@H](C2CC2)O1 ZINC000470922781 931036041 /nfs/dbraw/zinc/03/60/41/931036041.db2.gz GSCMPNQJUJLJJF-LYWNTADJSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1C[N@H+](Cc2cccc(CN3C[C@@H](C4CC4)O[C@@H](C)C3)c2)C[C@H](C2CC2)O1 ZINC000470922781 931036047 /nfs/dbraw/zinc/03/60/47/931036047.db2.gz GSCMPNQJUJLJJF-LYWNTADJSA-N 1 3 384.564 3.685 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)CC2)CC1 ZINC000557475321 931458410 /nfs/dbraw/zinc/45/84/10/931458410.db2.gz FHDZDIDAMILOTN-QHCPKHFHSA-N 1 3 399.579 3.555 20 0 GHADHO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2C1 ZINC000783306783 931516543 /nfs/dbraw/zinc/51/65/43/931516543.db2.gz MEBOYLATGJHQFG-UHFFFAOYSA-N 1 3 385.552 3.901 20 0 GHADHO CC[C@H]1c2ccsc2CCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557596578 931564462 /nfs/dbraw/zinc/56/44/62/931564462.db2.gz SVKIRCPIJKNLEU-FQEVSTJZSA-N 1 3 389.609 3.780 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@H]2CCC[C@H]21 ZINC000796746587 932052277 /nfs/dbraw/zinc/05/22/77/932052277.db2.gz UBLMSTHUCXCGMG-QHAWAJNXSA-N 1 3 387.568 3.716 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@H]2CCC[C@H]21 ZINC000796746587 932052282 /nfs/dbraw/zinc/05/22/82/932052282.db2.gz UBLMSTHUCXCGMG-QHAWAJNXSA-N 1 3 387.568 3.716 20 0 GHADHO C[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934046 932821499 /nfs/dbraw/zinc/82/14/99/932821499.db2.gz BQJDRDNHZGEVTF-WMZHIEFXSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934046 932821502 /nfs/dbraw/zinc/82/15/02/932821502.db2.gz BQJDRDNHZGEVTF-WMZHIEFXSA-N 1 3 375.520 3.830 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)c2)CC1 ZINC001116373364 933516164 /nfs/dbraw/zinc/51/61/64/933516164.db2.gz CGKBWJHNDTWRIG-UKILVPOCSA-N 1 3 393.575 3.692 20 0 GHADHO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001118197726 934106063 /nfs/dbraw/zinc/10/60/63/934106063.db2.gz ONNJFALUXJTKQD-UHFFFAOYSA-N 1 3 397.950 3.628 20 0 GHADHO CC(=O)Nc1cc(Br)ccc1CN1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001119987989 934431300 /nfs/dbraw/zinc/43/13/00/934431300.db2.gz DFPUVZBXNHSTKR-LESCRADOSA-N 1 3 394.357 3.570 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(Cl)n1 ZINC000829597858 935832630 /nfs/dbraw/zinc/83/26/30/935832630.db2.gz BOYJLQVPKFERAI-JENIJYKNSA-N 1 3 392.975 3.546 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(Cl)n1 ZINC000829597858 935832633 /nfs/dbraw/zinc/83/26/33/935832633.db2.gz BOYJLQVPKFERAI-JENIJYKNSA-N 1 3 392.975 3.546 20 0 GHADHO CC(=O)Oc1cccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041467 935946126 /nfs/dbraw/zinc/94/61/26/935946126.db2.gz BRTODPTZJOUEPA-OYDLWJJNSA-N 1 3 393.531 3.739 20 0 GHADHO CC(=O)Oc1cccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041467 935946129 /nfs/dbraw/zinc/94/61/29/935946129.db2.gz BRTODPTZJOUEPA-OYDLWJJNSA-N 1 3 393.531 3.739 20 0 GHADHO O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220694976 1032067859 /nfs/dbraw/zinc/06/78/59/1032067859.db2.gz PZBPJPRSIIVODM-DNQXCXABSA-N 1 3 399.538 3.920 20 0 GHADHO O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220694976 1032067868 /nfs/dbraw/zinc/06/78/68/1032067868.db2.gz PZBPJPRSIIVODM-DNQXCXABSA-N 1 3 399.538 3.920 20 0 GHADHO CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468020494 1015153699 /nfs/dbraw/zinc/15/36/99/1015153699.db2.gz FVEKADAEHVHKMR-CZTZKLFOSA-N 1 3 386.584 3.630 20 0 GHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000468122943 1015299829 /nfs/dbraw/zinc/29/98/29/1015299829.db2.gz YQLUGIRGVNOQRB-MBSDFSHPSA-N 1 3 386.499 3.812 20 0 GHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000468122943 1015299832 /nfs/dbraw/zinc/29/98/32/1015299832.db2.gz YQLUGIRGVNOQRB-MBSDFSHPSA-N 1 3 386.499 3.812 20 0 GHADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000468432107 1015702471 /nfs/dbraw/zinc/70/24/71/1015702471.db2.gz FIXSCYOZGDNZRJ-SFHVURJKSA-N 1 3 380.602 3.504 20 0 GHADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@@]12CCCO2 ZINC000546163849 1016570515 /nfs/dbraw/zinc/57/05/15/1016570515.db2.gz SGHGBGIUQRHOQV-MIYXWFHDSA-N 1 3 384.564 3.603 20 0 GHADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@@]12CCCO2 ZINC000546163849 1016570529 /nfs/dbraw/zinc/57/05/29/1016570529.db2.gz SGHGBGIUQRHOQV-MIYXWFHDSA-N 1 3 384.564 3.603 20 0 GHADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@@]12CCCO2 ZINC000546163849 1016570541 /nfs/dbraw/zinc/57/05/41/1016570541.db2.gz SGHGBGIUQRHOQV-MIYXWFHDSA-N 1 3 384.564 3.603 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070706 1032265043 /nfs/dbraw/zinc/26/50/43/1032265043.db2.gz ALYYWGYXAPEITG-ZWKOTPCHSA-N 1 3 392.613 3.693 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070706 1032265054 /nfs/dbraw/zinc/26/50/54/1032265054.db2.gz ALYYWGYXAPEITG-ZWKOTPCHSA-N 1 3 392.613 3.693 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccc(C(C)(C)C)cc4)CC3)CC2)CC1 ZINC000050798844 1032292235 /nfs/dbraw/zinc/29/22/35/1032292235.db2.gz SKAHQMCWBQIHLD-UHFFFAOYSA-N 1 3 397.607 3.691 20 0 GHADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001227435624 1032419102 /nfs/dbraw/zinc/41/91/02/1032419102.db2.gz RUDRIAFHJVVPBQ-FCHUYYIVSA-N 1 3 388.600 3.661 20 0 GHADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001227435624 1032419118 /nfs/dbraw/zinc/41/91/18/1032419118.db2.gz RUDRIAFHJVVPBQ-FCHUYYIVSA-N 1 3 388.600 3.661 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cc(F)cc(F)c1)CC2 ZINC001204229203 1032675101 /nfs/dbraw/zinc/67/51/01/1032675101.db2.gz BIGBMWVHBOWRMC-LJQANCHMSA-N 1 3 376.447 3.813 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cc(F)cc(F)c1)CC2 ZINC001204229203 1032675108 /nfs/dbraw/zinc/67/51/08/1032675108.db2.gz BIGBMWVHBOWRMC-LJQANCHMSA-N 1 3 376.447 3.813 20 0 GHADHO CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CCOCC1 ZINC000925837580 1017158011 /nfs/dbraw/zinc/15/80/11/1017158011.db2.gz QYPHFTSGFAVKNA-RPWUZVMVSA-N 1 3 393.575 3.751 20 0 GHADHO C[C@H]1CN(Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@]1(O)C(F)(F)F ZINC001204263240 1032707437 /nfs/dbraw/zinc/70/74/37/1032707437.db2.gz IQSJCYUHNHDUFV-LPHOPBHVSA-N 1 3 388.474 3.542 20 0 GHADHO CC(C)OCCN(CCOC(C)C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204266867 1032709492 /nfs/dbraw/zinc/70/94/92/1032709492.db2.gz AIHSQHKRBQCBCQ-UHFFFAOYSA-N 1 3 380.573 3.669 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC001204269615 1032712996 /nfs/dbraw/zinc/71/29/96/1032712996.db2.gz HMTJQTYXHOWSEU-UHFFFAOYSA-N 1 3 399.554 3.864 20 0 GHADHO CC(C)c1noc([C@@H]2CCCN(Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204269645 1032713546 /nfs/dbraw/zinc/71/35/46/1032713546.db2.gz IWZSMIDCYJEXLM-LJQANCHMSA-N 1 3 386.540 3.903 20 0 GHADHO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000600932291 1020278720 /nfs/dbraw/zinc/27/87/20/1020278720.db2.gz ZJYMVUHUDYLTCI-HXUWFJFHSA-N 1 3 393.575 3.708 20 0 GHADHO c1cn(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@H]4CCC[C@@H]43)cn2)cn1 ZINC000834501694 1021227925 /nfs/dbraw/zinc/22/79/25/1021227925.db2.gz HPXLZQRCSMOFAF-VJBWXMMDSA-N 1 3 387.531 3.800 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000834502502 1021228856 /nfs/dbraw/zinc/22/88/56/1021228856.db2.gz QKULITDUXOQOJF-JLLPCOHGSA-N 1 3 380.532 3.761 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000834502502 1021228861 /nfs/dbraw/zinc/22/88/61/1021228861.db2.gz QKULITDUXOQOJF-JLLPCOHGSA-N 1 3 380.532 3.761 20 0 GHADHO CC(C)NC(=O)c1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001140617537 1022083483 /nfs/dbraw/zinc/08/34/83/1022083483.db2.gz NQVRHMIAYPYMDR-UHFFFAOYSA-N 1 3 391.559 3.923 20 0 GHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000681753423 1022324381 /nfs/dbraw/zinc/32/43/81/1022324381.db2.gz UUGWOSMZQWRGIT-XMMPIXPASA-N 1 3 377.532 3.740 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000681753423 1022324393 /nfs/dbraw/zinc/32/43/93/1022324393.db2.gz UUGWOSMZQWRGIT-XMMPIXPASA-N 1 3 377.532 3.740 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2COc3ccccc3C2)CC1 ZINC000756107115 1023524603 /nfs/dbraw/zinc/52/46/03/1023524603.db2.gz UWDGYZICGVSTHJ-FQEVSTJZSA-N 1 3 379.548 3.560 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1C ZINC001138139612 1024211273 /nfs/dbraw/zinc/21/12/73/1024211273.db2.gz HLPVDQQPNLJAOB-UHFFFAOYSA-N 1 3 395.547 3.906 20 0 GHADHO c1ccc(N2CCCCC2)c(CN2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138606139 1025093080 /nfs/dbraw/zinc/09/30/80/1025093080.db2.gz IGSYNBFNAITNSY-DHIUTWEWSA-N 1 3 376.548 3.636 20 0 GHADHO CCCn1ncc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138635765 1025141672 /nfs/dbraw/zinc/14/16/72/1025141672.db2.gz JYFZBJPQGNCGHJ-QHCPKHFHSA-N 1 3 396.579 3.857 20 0 GHADHO CCCn1ncc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138635765 1025141677 /nfs/dbraw/zinc/14/16/77/1025141677.db2.gz JYFZBJPQGNCGHJ-QHCPKHFHSA-N 1 3 396.579 3.857 20 0 GHADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]1Sc1ccccc1 ZINC000838950401 1025468365 /nfs/dbraw/zinc/46/83/65/1025468365.db2.gz NJQIYWCOIHNUTO-FVTFTPSCSA-N 1 3 390.593 3.558 20 0 GHADHO O=C(NCCNC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001161896848 1025480568 /nfs/dbraw/zinc/48/05/68/1025480568.db2.gz YDYQUYCHWMTPEJ-HSZRJFAPSA-N 1 3 391.559 3.889 20 0 GHADHO O=C(NCCNC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001161896848 1025480580 /nfs/dbraw/zinc/48/05/80/1025480580.db2.gz YDYQUYCHWMTPEJ-HSZRJFAPSA-N 1 3 391.559 3.889 20 0 GHADHO [NH3+]CCN(c1cccc2ccccc21)c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001162006420 1025533792 /nfs/dbraw/zinc/53/37/92/1025533792.db2.gz AWWDZZDOGAYPHQ-QHCPKHFHSA-N 1 3 386.499 3.850 20 0 GHADHO C[NH+](C)CCOc1ccc(NC2CCN(CCC(F)(F)F)CC2)cc1F ZINC000839191469 1025713379 /nfs/dbraw/zinc/71/33/79/1025713379.db2.gz YHEVMWJPLZEBRP-UHFFFAOYSA-N 1 3 377.426 3.595 20 0 GHADHO COc1ccc(OC)c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1N ZINC001139277238 1026125716 /nfs/dbraw/zinc/12/57/16/1026125716.db2.gz PMKWXAIGYUAJDS-WOJBJXKFSA-N 1 3 395.547 3.630 20 0 GHADHO COc1ccc(OC)c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1N ZINC001139277238 1026125727 /nfs/dbraw/zinc/12/57/27/1026125727.db2.gz PMKWXAIGYUAJDS-WOJBJXKFSA-N 1 3 395.547 3.630 20 0 GHADHO c1ncn(-c2ccc(C[N@H+]3CCC[C@@]4(CCN(Cc5ccccc5)C4)C3)cc2)n1 ZINC001139333012 1026193381 /nfs/dbraw/zinc/19/33/81/1026193381.db2.gz JQTWXJNEFXKAAG-XMMPIXPASA-N 1 3 387.531 3.755 20 0 GHADHO c1ncn(-c2ccc(C[N@@H+]3CCC[C@@]4(CCN(Cc5ccccc5)C4)C3)cc2)n1 ZINC001139333012 1026193391 /nfs/dbraw/zinc/19/33/91/1026193391.db2.gz JQTWXJNEFXKAAG-XMMPIXPASA-N 1 3 387.531 3.755 20 0 GHADHO CN(C)C1(CNc2ccc(OC(F)(F)C(F)(F)F)cc2)CC[NH+](C)CC1 ZINC001164212840 1026454412 /nfs/dbraw/zinc/45/44/12/1026454412.db2.gz GNJUXUAYMHSRQG-UHFFFAOYSA-N 1 3 381.389 3.658 20 0 GHADHO CN(Cc1ccc(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)nc1)C1CC1 ZINC001165108200 1026610867 /nfs/dbraw/zinc/61/08/67/1026610867.db2.gz FYYZATJCRUPAHF-UHFFFAOYSA-N 1 3 379.335 3.948 20 0 GHADHO CN(CCN1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1)C(=O)OC(C)(C)C ZINC001202990532 1026780416 /nfs/dbraw/zinc/78/04/16/1026780416.db2.gz DLNXTWHYKGKDRX-IBGZPJMESA-N 1 3 391.556 3.823 20 0 GHADHO CN(CCN1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1)C(=O)OC(C)(C)C ZINC001202990532 1026780429 /nfs/dbraw/zinc/78/04/29/1026780429.db2.gz DLNXTWHYKGKDRX-IBGZPJMESA-N 1 3 391.556 3.823 20 0 GHADHO CN(CC[NH+]1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1)C(=O)OC(C)(C)C ZINC001202990532 1026780439 /nfs/dbraw/zinc/78/04/39/1026780439.db2.gz DLNXTWHYKGKDRX-IBGZPJMESA-N 1 3 391.556 3.823 20 0 GHADHO Cc1nccn1-c1ccccc1CN1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140021664 1026805411 /nfs/dbraw/zinc/80/54/11/1026805411.db2.gz ORTKOUNSDKWKPU-PMACEKPBSA-N 1 3 378.545 3.806 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccccc1C)CC2 ZINC001203702357 1027542387 /nfs/dbraw/zinc/54/23/87/1027542387.db2.gz YMAOFRPWDZUQAL-QHCPKHFHSA-N 1 3 379.548 3.893 20 0 GHADHO CN1CCN(c2cc[nH+]cc2Nc2cccc(CN3CCCCC3)c2F)CC1 ZINC001215675712 1029341556 /nfs/dbraw/zinc/34/15/56/1029341556.db2.gz OXOUPHYMHBDSSE-UHFFFAOYSA-N 1 3 383.515 3.702 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671835 1029475847 /nfs/dbraw/zinc/47/58/47/1029475847.db2.gz ZHCOOWYAACHIRW-KNQAVFIVSA-N 1 3 396.531 3.524 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671835 1029475853 /nfs/dbraw/zinc/47/58/53/1029475853.db2.gz ZHCOOWYAACHIRW-KNQAVFIVSA-N 1 3 396.531 3.524 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000843128032 1029817947 /nfs/dbraw/zinc/81/79/47/1029817947.db2.gz VBACAZKTVCFZJS-UHFFFAOYSA-N 1 3 376.907 3.608 20 0 GHADHO CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3CNCc4ccccc43)n2)cc1 ZINC000843200004 1029845176 /nfs/dbraw/zinc/84/51/76/1029845176.db2.gz GIQCRFUVWKAQLC-OAQYLSRUSA-N 1 3 392.503 3.692 20 0 GHADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000843363681 1029940860 /nfs/dbraw/zinc/94/08/60/1029940860.db2.gz IYHYORZMEBZRRZ-QFIPXVFZSA-N 1 3 397.950 3.621 20 0 GHADHO CCOc1c(Br)cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC001461604612 1069636320 /nfs/dbraw/zinc/63/63/20/1069636320.db2.gz HFKRBUAFTFNCOY-SJORKVTESA-N 1 3 397.357 3.963 20 0 GHADHO CCOc1c(Br)cc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC001461604612 1069636322 /nfs/dbraw/zinc/63/63/22/1069636322.db2.gz HFKRBUAFTFNCOY-SJORKVTESA-N 1 3 397.357 3.963 20 0 GHADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC001149519403 1030204794 /nfs/dbraw/zinc/20/47/94/1030204794.db2.gz QFEMRXOJHXQHSU-FCHUYYIVSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC001149519403 1030204809 /nfs/dbraw/zinc/20/48/09/1030204809.db2.gz QFEMRXOJHXQHSU-FCHUYYIVSA-N 1 3 383.580 3.764 20 0 GHADHO c1[nH]c2cnccc2c1CN1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591622 1030219185 /nfs/dbraw/zinc/21/91/85/1030219185.db2.gz XKVWYWJMFAJJCJ-OAQYLSRUSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]c2cnccc2c1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222591622 1030219198 /nfs/dbraw/zinc/21/91/98/1030219198.db2.gz XKVWYWJMFAJJCJ-OAQYLSRUSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]c2cnccc2c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222591622 1030219214 /nfs/dbraw/zinc/21/92/14/1030219214.db2.gz XKVWYWJMFAJJCJ-OAQYLSRUSA-N 1 3 390.531 3.866 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCCCC2)N(C)C)cc1 ZINC001223279157 1030503457 /nfs/dbraw/zinc/50/34/57/1030503457.db2.gz MTELZMNCGHMZTH-JOCHJYFZSA-N 1 3 388.600 3.663 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC001223657163 1030689093 /nfs/dbraw/zinc/68/90/93/1030689093.db2.gz WZYWCXGOSYSYGU-GHTZIAJQSA-N 1 3 390.616 3.763 20 0 GHADHO Cc1sc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(C(=O)c2ccccc2)c1C ZINC001218589866 1030998081 /nfs/dbraw/zinc/99/80/81/1030998081.db2.gz QXADICBYSDPTPK-KRWDZBQOSA-N 1 3 387.549 3.594 20 0 GHADHO [NH3+]CCN(C(=O)[C@H]1CCC[C@H](c2ccccc2)N1)C12CC3CC(CC(C3)C1)C2 ZINC001220538294 1031982214 /nfs/dbraw/zinc/98/22/14/1031982214.db2.gz JFVUHXWVSSAECN-VLPYHJQYSA-N 1 3 381.564 3.626 20 0 GHADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001157413659 1033574479 /nfs/dbraw/zinc/57/44/79/1033574479.db2.gz KRYQFQWBLRCTGN-GOSISDBHSA-N 1 3 393.318 3.868 20 0 GHADHO CCN(C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C)[C@H]1CC[N@H+](CC)C1 ZINC001229619337 1033596580 /nfs/dbraw/zinc/59/65/80/1033596580.db2.gz FQJTUAYCQHOEDL-FCHUYYIVSA-N 1 3 388.600 3.614 20 0 GHADHO CCN(C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C)[C@H]1CC[N@@H+](CC)C1 ZINC001229619337 1033596585 /nfs/dbraw/zinc/59/65/85/1033596585.db2.gz FQJTUAYCQHOEDL-FCHUYYIVSA-N 1 3 388.600 3.614 20 0 GHADHO C[NH+]1CCN(C(=N)Nc2nc(-c3ccccc3F)nc3ccc(Cl)cc32)CC1 ZINC001157915433 1033822792 /nfs/dbraw/zinc/82/27/92/1033822792.db2.gz WSGLOHSXWKQHGW-UHFFFAOYSA-N 1 3 398.873 3.683 20 0 GHADHO c1ccc(C[NH+]2CCC(CN3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)CC2)cc1 ZINC001207290616 1034242378 /nfs/dbraw/zinc/24/23/78/1034242378.db2.gz FXPFRXJKOBRGLI-RBZQAINGSA-N 1 3 384.564 3.557 20 0 GHADHO c1ccc(CN2CC=C(Nc3ccc(OCC4CC[NH2+]CC4)nc3)CC2)cc1 ZINC001159343878 1034554298 /nfs/dbraw/zinc/55/42/98/1034554298.db2.gz OQPZSCKEGGUOGL-UHFFFAOYSA-N 1 3 378.520 3.662 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c[nH]c3cnccc13)CC2 ZINC001231516416 1034666798 /nfs/dbraw/zinc/66/67/98/1034666798.db2.gz IOHRNNORBUEORX-NRFANRHFSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c[nH]c3cnccc13)CC2 ZINC001231516416 1034666807 /nfs/dbraw/zinc/66/68/07/1034666807.db2.gz IOHRNNORBUEORX-NRFANRHFSA-N 1 3 390.531 3.818 20 0 GHADHO [NH3+]C1CCN(c2cccc(NCc3cc(-c4cccc(Cl)c4)no3)n2)CC1 ZINC001159885259 1034773463 /nfs/dbraw/zinc/77/34/63/1034773463.db2.gz QHMIBHVLVFKCDU-UHFFFAOYSA-N 1 3 383.883 3.930 20 0 GHADHO C[NH+](C)CC1(CN2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CCCC1 ZINC001208185222 1034780755 /nfs/dbraw/zinc/78/07/55/1034780755.db2.gz XOGBXLFDNFDJSY-QFIPXVFZSA-N 1 3 379.589 3.831 20 0 GHADHO N[C@@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC001160461495 1034981835 /nfs/dbraw/zinc/98/18/35/1034981835.db2.gz RJJIYMLRZTZTIT-ROUUACIJSA-N 1 3 383.458 3.572 20 0 GHADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001160609624 1035015772 /nfs/dbraw/zinc/01/57/72/1035015772.db2.gz UYLYOSMLRFGQQD-XZOQPEGZSA-N 1 3 393.575 3.869 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208934720 1035100545 /nfs/dbraw/zinc/10/05/45/1035100545.db2.gz FZPRKDSTWIFRCA-VXNXHJTFSA-N 1 3 384.564 3.559 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208934720 1035100554 /nfs/dbraw/zinc/10/05/54/1035100554.db2.gz FZPRKDSTWIFRCA-VXNXHJTFSA-N 1 3 384.564 3.559 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935285 1035101869 /nfs/dbraw/zinc/10/18/69/1035101869.db2.gz KCDUYTMLDAZSIU-NRFANRHFSA-N 1 3 387.568 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935285 1035101873 /nfs/dbraw/zinc/10/18/73/1035101873.db2.gz KCDUYTMLDAZSIU-NRFANRHFSA-N 1 3 387.568 3.841 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@H](CN3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208935673 1035102109 /nfs/dbraw/zinc/10/21/09/1035102109.db2.gz LDEIVBKTYZNXRK-CCDWMCETSA-N 1 3 398.591 3.949 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208935673 1035102113 /nfs/dbraw/zinc/10/21/13/1035102113.db2.gz LDEIVBKTYZNXRK-CCDWMCETSA-N 1 3 398.591 3.949 20 0 GHADHO C[C@H]([C@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160994676 1035115555 /nfs/dbraw/zinc/11/55/55/1035115555.db2.gz BQJQSZCJDDMIGF-OIBXWCBGSA-N 1 3 397.563 3.713 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001232146130 1035124630 /nfs/dbraw/zinc/12/46/30/1035124630.db2.gz JAPMCKAHMSOWDE-RBUKOAKNSA-N 1 3 391.531 3.576 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001232146130 1035124632 /nfs/dbraw/zinc/12/46/32/1035124632.db2.gz JAPMCKAHMSOWDE-RBUKOAKNSA-N 1 3 391.531 3.576 20 0 GHADHO COC(=O)C[C@@H](C)N(Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208958087 1035130332 /nfs/dbraw/zinc/13/03/32/1035130332.db2.gz OAMXWDTWEVOABE-OFNKIYASSA-N 1 3 380.532 3.962 20 0 GHADHO COC(=O)C[C@@H](C)N(Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208958087 1035130338 /nfs/dbraw/zinc/13/03/38/1035130338.db2.gz OAMXWDTWEVOABE-OFNKIYASSA-N 1 3 380.532 3.962 20 0 GHADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161430826 1035229586 /nfs/dbraw/zinc/22/95/86/1035229586.db2.gz LGLGRZJUXGYTBT-GOTSBHOMSA-N 1 3 377.532 3.651 20 0 GHADHO Cc1nc2ccccn2c1CN1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001209648903 1035342635 /nfs/dbraw/zinc/34/26/35/1035342635.db2.gz YYVLPAVOIDQJCV-UHFFFAOYSA-N 1 3 389.547 3.914 20 0 GHADHO Cc1nc2ccccn2c1CN1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001209648903 1035342638 /nfs/dbraw/zinc/34/26/38/1035342638.db2.gz YYVLPAVOIDQJCV-UHFFFAOYSA-N 1 3 389.547 3.914 20 0 GHADHO [NH3+]C1CCN(C(=O)c2ccccc2C2=CCN(Cc3ccccc3)CC2)CC1 ZINC001241506680 1035598125 /nfs/dbraw/zinc/59/81/25/1035598125.db2.gz JSTIPOOUNJDJAU-UHFFFAOYSA-N 1 3 375.516 3.539 20 0 GHADHO FC(F)(F)c1ccc(-c2ccnc(N3CC[NH2+]CC3)c2)c(CN2CCCC2)c1 ZINC001242398024 1035900158 /nfs/dbraw/zinc/90/01/58/1035900158.db2.gz LZRBJKCMHWLJNY-UHFFFAOYSA-N 1 3 390.453 3.773 20 0 GHADHO CN1CCN(c2cccc(-c3ccccc3CO[C@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC001243675737 1036249608 /nfs/dbraw/zinc/24/96/08/1036249608.db2.gz YWZPOIXBRYZBMO-ZEQRLZLVSA-N 1 3 379.548 3.892 20 0 GHADHO C[C@H]([NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)c1cccc(C(F)(F)F)c1 ZINC001245988924 1037112835 /nfs/dbraw/zinc/11/28/35/1037112835.db2.gz JRNJKFQTBLSLNO-FJNPEDAXSA-N 1 3 388.380 3.565 20 0 GHADHO COCCC1([NH2+]C[C@](O)(CCc2ccc(Cl)cc2)C(C)(C)C)CCNCC1 ZINC001245999899 1037121723 /nfs/dbraw/zinc/12/17/23/1037121723.db2.gz YAKVZECEVNOAJS-JOCHJYFZSA-N 1 3 397.003 3.798 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001246261427 1037261270 /nfs/dbraw/zinc/26/12/70/1037261270.db2.gz PRYGLMHQZHKAFP-KSEOMHKRSA-N 1 3 389.584 3.546 20 0 GHADHO COC(=O)C(CN[C@@H]1CC[NH2+]C(C)(C)C1)(Cc1ccccc1)Cc1ccccc1 ZINC001246329125 1037297175 /nfs/dbraw/zinc/29/71/75/1037297175.db2.gz NOUSQBCFWXOVOC-JOCHJYFZSA-N 1 3 394.559 3.751 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2CCNCC2(C)C)CC1 ZINC001246378220 1037334246 /nfs/dbraw/zinc/33/42/46/1037334246.db2.gz UJNNNTAUYQZRKH-IDYZSHNDSA-N 1 3 378.944 3.671 20 0 GHADHO C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1 ZINC001246397798 1037355827 /nfs/dbraw/zinc/35/58/27/1037355827.db2.gz UNYCRIYXKFBECD-AVRDEDQJSA-N 1 3 386.561 3.569 20 0 GHADHO COc1cccc(C2(N[C@@H]3C[C@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246414877 1037369521 /nfs/dbraw/zinc/36/95/21/1037369521.db2.gz JVRCQYVVTLLTSM-SIKLNZKXSA-N 1 3 379.548 3.527 20 0 GHADHO COC(=O)C1(C)CCC(NC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246430849 1037390958 /nfs/dbraw/zinc/39/09/58/1037390958.db2.gz PROOBSHIWHYXIE-UHFFFAOYSA-N 1 3 398.469 3.996 20 0 GHADHO COc1cccc2c1C[C@H](N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)CO2 ZINC001246445841 1037408214 /nfs/dbraw/zinc/40/82/14/1037408214.db2.gz AGKKQMBCAGCWKN-LAUBAEHRSA-N 1 3 384.495 3.858 20 0 GHADHO C[C@H]1C[C@H](NC2(Cc3cccc(F)c3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246457381 1037416342 /nfs/dbraw/zinc/41/63/42/1037416342.db2.gz KCGWKBYHZSFQEY-CVDCTZTESA-N 1 3 381.539 3.743 20 0 GHADHO CC[C@H]1CC[C@@H]([NH2+]CCCC[C@H](N)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)C1 ZINC001246493108 1037439592 /nfs/dbraw/zinc/43/95/92/1037439592.db2.gz HUFIQQICOBPULA-QKLQHJQFSA-N 1 3 399.535 3.706 20 0 GHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246494722 1037439859 /nfs/dbraw/zinc/43/98/59/1037439859.db2.gz KUYIUGMDDRQAEL-CQSZACIVSA-N 1 3 381.442 3.558 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCC[NH2+][C@H]3CCC(C)(C)C3)ccc12 ZINC001246497535 1037442043 /nfs/dbraw/zinc/44/20/43/1037442043.db2.gz SGIJUGSFXFLFOH-HKUYNNGSSA-N 1 3 399.535 3.706 20 0 GHADHO FC(F)(F)c1cccnc1N1CCN(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246522726 1037453903 /nfs/dbraw/zinc/45/39/03/1037453903.db2.gz BOUWRZLJKGURNB-UHFFFAOYSA-N 1 3 382.474 3.535 20 0 GHADHO COc1cc(C[C@@H](C)N2CCCC[C@]3(CCCC[NH2+]C3)C2)cc(OC)c1OC ZINC001246610160 1037503772 /nfs/dbraw/zinc/50/37/72/1037503772.db2.gz PUQJZWPMWUROSJ-JPYJTQIMSA-N 1 3 390.568 3.889 20 0 GHADHO CCC[C@H]1CC[C@H](C2CCC([N@@H+]3CC4(CNC4)[C@]4(CCNC4=O)C3)CC2)CC1 ZINC001246629884 1037517885 /nfs/dbraw/zinc/51/78/85/1037517885.db2.gz QLEPBZFPRDVDCD-UJCFLTRGSA-N 1 3 387.612 3.563 20 0 GHADHO CCC[C@H]1CC[C@H](C2CCC([N@H+]3CC4(CNC4)[C@]4(CCNC4=O)C3)CC2)CC1 ZINC001246629884 1037517893 /nfs/dbraw/zinc/51/78/93/1037517893.db2.gz QLEPBZFPRDVDCD-UJCFLTRGSA-N 1 3 387.612 3.563 20 0 GHADHO CC(C)CN1Cc2ccccc2CC2(CCN([C@@H]3CC[NH2+]C(C)(C)C3)CC2)C1=O ZINC001246754585 1037597026 /nfs/dbraw/zinc/59/70/26/1037597026.db2.gz UAWRKQDBQGEHFA-JOCHJYFZSA-N 1 3 397.607 3.840 20 0 GHADHO CC(C)CN1Cc2ccccc2CC2(CC[NH+]([C@@H]3CCNC(C)(C)C3)CC2)C1=O ZINC001246754585 1037597038 /nfs/dbraw/zinc/59/70/38/1037597038.db2.gz UAWRKQDBQGEHFA-JOCHJYFZSA-N 1 3 397.607 3.840 20 0 GHADHO CC[C@@H]1CC(N2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246755228 1037597121 /nfs/dbraw/zinc/59/71/21/1037597121.db2.gz HYVUSDMMGVETEJ-CBGDNZLLSA-N 1 3 375.582 3.795 20 0 GHADHO Brc1cccc([C@@H]2CN([C@@H]3CC[NH2+]C4(CCCCC4)C3)CCN2)c1 ZINC001246805516 1037640887 /nfs/dbraw/zinc/64/08/87/1037640887.db2.gz JRSKPNLZZLJWPC-MOPGFXCFSA-N 1 3 392.385 3.850 20 0 GHADHO c1ccc(C[C@H]2C[C@H]([N@@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CCN2)cc1 ZINC001246910272 1037718261 /nfs/dbraw/zinc/71/82/61/1037718261.db2.gz KLULTRZVEOXQBC-RCTAOEEJSA-N 1 3 375.560 3.556 20 0 GHADHO c1ccc(C[C@H]2C[C@H]([N@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CCN2)cc1 ZINC001246910272 1037718280 /nfs/dbraw/zinc/71/82/80/1037718280.db2.gz KLULTRZVEOXQBC-RCTAOEEJSA-N 1 3 375.560 3.556 20 0 GHADHO COc1cc(C[C@H](C)[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc(OC)c1OC ZINC001246937826 1037741569 /nfs/dbraw/zinc/74/15/69/1037741569.db2.gz MVXWKFWDOAXAMK-ZWKOTPCHSA-N 1 3 390.568 3.888 20 0 GHADHO COc1cc(C[C@H](C)[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc(OC)c1OC ZINC001246937826 1037741590 /nfs/dbraw/zinc/74/15/90/1037741590.db2.gz MVXWKFWDOAXAMK-ZWKOTPCHSA-N 1 3 390.568 3.888 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([N@H+](Cc1cccc(F)c1)C1CCNCC1)CC2 ZINC001246944969 1037751322 /nfs/dbraw/zinc/75/13/22/1037751322.db2.gz WNDQTKMEQRDEIH-SWCONJRYSA-N 1 3 388.527 3.892 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([N@@H+](Cc1cccc(F)c1)C1CCNCC1)CC2 ZINC001246944969 1037751336 /nfs/dbraw/zinc/75/13/36/1037751336.db2.gz WNDQTKMEQRDEIH-SWCONJRYSA-N 1 3 388.527 3.892 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246956762 1037768257 /nfs/dbraw/zinc/76/82/57/1037768257.db2.gz UUYKQUSTSLFYHG-DYESRHJHSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246956762 1037768279 /nfs/dbraw/zinc/76/82/79/1037768279.db2.gz UUYKQUSTSLFYHG-DYESRHJHSA-N 1 3 376.516 3.810 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)CCN2)cc1 ZINC001246957594 1037771946 /nfs/dbraw/zinc/77/19/46/1037771946.db2.gz BRZAPYGSNXIYJA-ZGFBMJKBSA-N 1 3 375.560 3.556 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)CCN2)cc1 ZINC001246957594 1037771966 /nfs/dbraw/zinc/77/19/66/1037771966.db2.gz BRZAPYGSNXIYJA-ZGFBMJKBSA-N 1 3 375.560 3.556 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)C2CC(C)(C)OC(C)(C)C2)c1 ZINC001246958513 1037775730 /nfs/dbraw/zinc/77/57/30/1037775730.db2.gz PSJGUIGPPJEVMH-UHFFFAOYSA-N 1 3 388.552 3.763 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)C2CC(C)(C)OC(C)(C)C2)c1 ZINC001246958513 1037775745 /nfs/dbraw/zinc/77/57/45/1037775745.db2.gz PSJGUIGPPJEVMH-UHFFFAOYSA-N 1 3 388.552 3.763 20 0 GHADHO COC(=O)c1cccc(CN(C2CC[NH2+]CC2)C2CC(C)(C)OC(C)(C)C2)c1 ZINC001246958513 1037775763 /nfs/dbraw/zinc/77/57/63/1037775763.db2.gz PSJGUIGPPJEVMH-UHFFFAOYSA-N 1 3 388.552 3.763 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)C1 ZINC001246959966 1037777062 /nfs/dbraw/zinc/77/70/62/1037777062.db2.gz KHUVXNTZGQSKBS-VQIMIIECSA-N 1 3 392.515 3.510 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)C1 ZINC001246959966 1037777069 /nfs/dbraw/zinc/77/70/69/1037777069.db2.gz KHUVXNTZGQSKBS-VQIMIIECSA-N 1 3 392.515 3.510 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H](N(Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246959966 1037777078 /nfs/dbraw/zinc/77/70/78/1037777078.db2.gz KHUVXNTZGQSKBS-VQIMIIECSA-N 1 3 392.515 3.510 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C[C@@H](O)c1ccccc1)CC2 ZINC001251985536 1038792422 /nfs/dbraw/zinc/79/24/22/1038792422.db2.gz JJIKBUGSILHSJL-PZJWPPBQSA-N 1 3 386.561 3.537 20 0 GHADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H](O)COCc1ccccc1)CC2 ZINC001252279976 1038921681 /nfs/dbraw/zinc/92/16/81/1038921681.db2.gz HEXPGVMEZBQETP-GMAHTHKFSA-N 1 3 398.547 3.534 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@@](C)(O)c1ccccc1)CC2 ZINC001253099131 1039421305 /nfs/dbraw/zinc/42/13/05/1039421305.db2.gz FJXIKVZKFBRFJP-DNQXCXABSA-N 1 3 394.559 3.650 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001254344484 1040178431 /nfs/dbraw/zinc/17/84/31/1040178431.db2.gz VYEUJQVJQTYBTG-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO COC(=O)C[C@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506573 1040287012 /nfs/dbraw/zinc/28/70/12/1040287012.db2.gz UKPJONDDYVXULL-GGAORHGYSA-N 1 3 396.531 3.944 20 0 GHADHO COc1ccccc1Sc1ccc(CN2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235041346 1040535621 /nfs/dbraw/zinc/53/56/21/1040535621.db2.gz PMKPIBXCMRWCTK-WIYYLYMNSA-N 1 3 384.545 3.657 20 0 GHADHO FC(F)(F)Oc1cccc(Br)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC001235107252 1040593799 /nfs/dbraw/zinc/59/37/99/1040593799.db2.gz ZHKXEYJQLYCQQK-UHFFFAOYSA-N 1 3 393.247 3.923 20 0 GHADHO COC(=O)c1cc(CN2CCCC[C@H]2C2CC[NH2+]CC2)ccc1Br ZINC001235157701 1040652017 /nfs/dbraw/zinc/65/20/17/1040652017.db2.gz RBYFLVGAGKXZJM-SFHVURJKSA-N 1 3 395.341 3.590 20 0 GHADHO COc1cccc([C@@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001255123853 1040816016 /nfs/dbraw/zinc/81/60/16/1040816016.db2.gz FEQWYLHZVFETEJ-JTOYRKQZSA-N 1 3 380.532 3.904 20 0 GHADHO c1ccc(CN2CC(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)cc1 ZINC001255124944 1040817640 /nfs/dbraw/zinc/81/76/40/1040817640.db2.gz QBJATPZKSADMAG-QEIWAGNOSA-N 1 3 375.560 3.904 20 0 GHADHO Cc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1I ZINC001235429633 1040930787 /nfs/dbraw/zinc/93/07/87/1040930787.db2.gz BSDZWQJXFSRDRG-IRXDYDNUSA-N 1 3 398.332 3.811 20 0 GHADHO COc1cc(C)c(Br)cc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429623 1040931014 /nfs/dbraw/zinc/93/10/14/1040931014.db2.gz BJQDOKGYKIZMLH-HOTGVXAUSA-N 1 3 381.358 3.978 20 0 GHADHO CN(Cc1ccc(Br)cc1Br)CC1CC[NH2+]CC1 ZINC001235433421 1040934697 /nfs/dbraw/zinc/93/46/97/1040934697.db2.gz HLXVKVIQOQBVRD-UHFFFAOYSA-N 1 3 376.136 3.643 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@@H](NCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC001255382030 1040973148 /nfs/dbraw/zinc/97/31/48/1040973148.db2.gz AXLUSRIGSISACD-OAQYLSRUSA-N 1 3 376.504 3.923 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@@H](NCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC001255382030 1040973154 /nfs/dbraw/zinc/97/31/54/1040973154.db2.gz AXLUSRIGSISACD-OAQYLSRUSA-N 1 3 376.504 3.923 20 0 GHADHO COC(=O)C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389664 1040977949 /nfs/dbraw/zinc/97/79/49/1040977949.db2.gz PDLGQKMDRVFPSF-IRLDBZIGSA-N 1 3 382.504 3.641 20 0 GHADHO CCOC(=O)[C@@H](CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391783 1040980177 /nfs/dbraw/zinc/98/01/77/1040980177.db2.gz TYNQCRVOCCFIRO-GOTSBHOMSA-N 1 3 380.532 3.978 20 0 GHADHO CCOC(=O)[C@@H](CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391783 1040980178 /nfs/dbraw/zinc/98/01/78/1040980178.db2.gz TYNQCRVOCCFIRO-GOTSBHOMSA-N 1 3 380.532 3.978 20 0 GHADHO CC(C)N(C)Cc1nn([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1CCNC2 ZINC001255400765 1040987229 /nfs/dbraw/zinc/98/72/29/1040987229.db2.gz NQOZKOBOWBHOMO-OAQYLSRUSA-N 1 3 395.595 3.596 20 0 GHADHO CC(C)N(C)Cc1nn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CCNC2 ZINC001255400765 1040987230 /nfs/dbraw/zinc/98/72/30/1040987230.db2.gz NQOZKOBOWBHOMO-OAQYLSRUSA-N 1 3 395.595 3.596 20 0 GHADHO CC(C)Oc1ncnc2c1CC[N@@H+]([C@H]1CCCN(Cc3ccccc3)CC1)CC2 ZINC001255402019 1040989286 /nfs/dbraw/zinc/98/92/86/1040989286.db2.gz ZRZMZCKSKMVPPY-NRFANRHFSA-N 1 3 394.563 3.719 20 0 GHADHO CC(C)Oc1ncnc2c1CC[N@H+]([C@H]1CCCN(Cc3ccccc3)CC1)CC2 ZINC001255402019 1040989287 /nfs/dbraw/zinc/98/92/87/1040989287.db2.gz ZRZMZCKSKMVPPY-NRFANRHFSA-N 1 3 394.563 3.719 20 0 GHADHO Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)n1 ZINC001255408814 1040996358 /nfs/dbraw/zinc/99/63/58/1040996358.db2.gz BZTLDXNXWGROPD-FCHUYYIVSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)n1 ZINC001255408814 1040996359 /nfs/dbraw/zinc/99/63/59/1040996359.db2.gz BZTLDXNXWGROPD-FCHUYYIVSA-N 1 3 380.536 3.683 20 0 GHADHO CCN1CC[C@@]2(CN(CCC[NH2+]C3CCCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001235582357 1040996840 /nfs/dbraw/zinc/99/68/40/1040996840.db2.gz HXTIHBZZIKIAEL-VWNXMTODSA-N 1 3 383.580 3.637 20 0 GHADHO c1c(C2CC[NH2+]CC2)nn2cc(CN3CCC[C@@H](Cc4ccccc4)C3)cnc12 ZINC001235673582 1041132732 /nfs/dbraw/zinc/13/27/32/1041132732.db2.gz OWSHGDINAYOSMT-FQEVSTJZSA-N 1 3 389.547 3.651 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001255606800 1041161522 /nfs/dbraw/zinc/16/15/22/1041161522.db2.gz FWUMGRADYLTYQT-REWPJTCUSA-N 1 3 385.552 3.594 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001255606800 1041161533 /nfs/dbraw/zinc/16/15/33/1041161533.db2.gz FWUMGRADYLTYQT-REWPJTCUSA-N 1 3 385.552 3.594 20 0 GHADHO C[C@@H](CSc1ccc(F)cc1)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001255727424 1041251855 /nfs/dbraw/zinc/25/18/55/1041251855.db2.gz DEDGNKPNPRLEKP-SFHVURJKSA-N 1 3 387.568 3.844 20 0 GHADHO COc1cccc(OC)c1CN1CCC([NH+]2C(C)(C)CC(N)CC2(C)C)CC1 ZINC001255922332 1041409908 /nfs/dbraw/zinc/40/99/08/1041409908.db2.gz BEFMNJQQDGUJBP-UHFFFAOYSA-N 1 3 389.584 3.649 20 0 GHADHO Brc1ccc(C[N@H+](CCC2CCOCC2)C2CCNCC2)cc1 ZINC001236377848 1041689590 /nfs/dbraw/zinc/68/95/90/1041689590.db2.gz OXHPGXLNMZZMOH-UHFFFAOYSA-N 1 3 381.358 3.820 20 0 GHADHO Brc1ccc(C[N@@H+](CCC2CCOCC2)C2CCNCC2)cc1 ZINC001236377848 1041689593 /nfs/dbraw/zinc/68/95/93/1041689593.db2.gz OXHPGXLNMZZMOH-UHFFFAOYSA-N 1 3 381.358 3.820 20 0 GHADHO Brc1ccc(CN(CCC2CCOCC2)C2CC[NH2+]CC2)cc1 ZINC001236377848 1041689596 /nfs/dbraw/zinc/68/95/96/1041689596.db2.gz OXHPGXLNMZZMOH-UHFFFAOYSA-N 1 3 381.358 3.820 20 0 GHADHO COc1ccc(CN(Cc2c(F)cc(O)cc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545311 1041758749 /nfs/dbraw/zinc/75/87/49/1041758749.db2.gz NPDATNLUHQMLHT-WKILWMFISA-N 1 3 376.447 3.951 20 0 GHADHO [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001236564556 1041764762 /nfs/dbraw/zinc/76/47/62/1041764762.db2.gz IEGZXBQIZKOWDP-QAQDUYKDSA-N 1 3 375.419 3.675 20 0 GHADHO Cc1cccc(CN2CC[C@H](N3CCC([NH3+])CC3)C2)c1OCc1ccccc1 ZINC001236620755 1041787521 /nfs/dbraw/zinc/78/75/21/1041787521.db2.gz DDRNBNYMRJNSAU-QHCPKHFHSA-N 1 3 379.548 3.571 20 0 GHADHO O=C(c1ccc(-c2ccccc2)cc1)C1CC[NH+](CC[C@@H]2CNCCO2)CC1 ZINC001237249424 1042106999 /nfs/dbraw/zinc/10/69/99/1042106999.db2.gz QAKCWTTXJXEKGI-HSZRJFAPSA-N 1 3 378.516 3.627 20 0 GHADHO COc1c(C)cccc1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001237510203 1042243036 /nfs/dbraw/zinc/24/30/36/1042243036.db2.gz FOLCIUGWNJFSQW-UHFFFAOYSA-N 1 3 395.547 3.513 20 0 GHADHO Clc1ncnc2ccc(CN3CCC(COCC[NH+]4CCCC4)CC3)cc12 ZINC001237590210 1042275781 /nfs/dbraw/zinc/27/57/81/1042275781.db2.gz IAFMNEIUEUQGFX-UHFFFAOYSA-N 1 3 388.943 3.608 20 0 GHADHO FC(F)Oc1cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001237615217 1042283125 /nfs/dbraw/zinc/28/31/25/1042283125.db2.gz PMCOPKCVESDCHF-UHFFFAOYSA-N 1 3 388.462 3.566 20 0 GHADHO FC(F)Oc1cc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001237615217 1042283130 /nfs/dbraw/zinc/28/31/30/1042283130.db2.gz PMCOPKCVESDCHF-UHFFFAOYSA-N 1 3 388.462 3.566 20 0 GHADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1ccc(Cl)cc1C(F)(F)F)CC2 ZINC001278291946 1042804478 /nfs/dbraw/zinc/80/44/78/1042804478.db2.gz XIXWNQBLGAJFLY-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO CCN(CC)Cc1ccc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)cc1F ZINC001240816530 1042956444 /nfs/dbraw/zinc/95/64/44/1042956444.db2.gz GRXIYJMFGRZGLK-UHFFFAOYSA-N 1 3 381.495 3.908 20 0 GHADHO Cc1ccc2nc(C3CCN(C4CC[NH+](Cc5ccccc5)CC4)CC3)nn2c1 ZINC001256607637 1043572189 /nfs/dbraw/zinc/57/21/89/1043572189.db2.gz QSWMHYYORPZKCV-UHFFFAOYSA-N 1 3 389.547 3.882 20 0 GHADHO COc1ccc(CC2([NH3+])CCN([C@H]3CCc4c(cccc4OC)C3)CC2)cc1 ZINC001256643008 1043589472 /nfs/dbraw/zinc/58/94/72/1043589472.db2.gz SXCNFNRSUNJSBR-FQEVSTJZSA-N 1 3 380.532 3.597 20 0 GHADHO O[C@@H](c1ccccc1)[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256681698 1043619546 /nfs/dbraw/zinc/61/95/46/1043619546.db2.gz ZWEJORSARMYKFR-MXXWWZHRSA-N 1 3 380.532 3.694 20 0 GHADHO Clc1ccccc1C1(C[NH2+]C2CCC(N3CCOCC3)CC2)CCOCC1 ZINC001256681169 1043619619 /nfs/dbraw/zinc/61/96/19/1043619619.db2.gz MQHJDMCLJUTUJM-UHFFFAOYSA-N 1 3 392.971 3.621 20 0 GHADHO Fc1ccc([C@@H](CC2CCOCC2)[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256685360 1043621062 /nfs/dbraw/zinc/62/10/62/1043621062.db2.gz DNSHFXWUMONPBV-XPPIMPSXSA-N 1 3 390.543 3.917 20 0 GHADHO FC(F)(F)c1cc([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)ccn1 ZINC001256687039 1043622465 /nfs/dbraw/zinc/62/24/65/1043622465.db2.gz KQCRRGXMQHQLRT-TVPLGVNVSA-N 1 3 383.458 3.785 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(C(=[NH2+])N[C@@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256901186 1043731189 /nfs/dbraw/zinc/73/11/89/1043731189.db2.gz DVNCZDGGRYOVIN-QGZVFWFLSA-N 1 3 378.561 3.607 20 0 GHADHO CC(C)[NH+]1CCC(N2CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257214498 1043938853 /nfs/dbraw/zinc/93/88/53/1043938853.db2.gz FYKJBFBHYZTHDG-QFIPXVFZSA-N 1 3 379.589 3.972 20 0 GHADHO C[C@H](CN)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257977532 1044301319 /nfs/dbraw/zinc/30/13/19/1044301319.db2.gz SXPWYZGBIJIHLB-HOJAQTOUSA-N 1 3 375.557 3.524 20 0 GHADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257977532 1044301334 /nfs/dbraw/zinc/30/13/34/1044301334.db2.gz SXPWYZGBIJIHLB-HOJAQTOUSA-N 1 3 375.557 3.524 20 0 GHADHO Cc1ccc(N2C[C@]3(CC[N@@H+](C4CCN(CC(C)C)CC4)C3)CC2=O)s1 ZINC001258014952 1044341522 /nfs/dbraw/zinc/34/15/22/1044341522.db2.gz OPOQAUHZVIEEMT-OAQYLSRUSA-N 1 3 375.582 3.606 20 0 GHADHO Cc1ccc(N2C[C@]3(CC[N@H+](C4CCN(CC(C)C)CC4)C3)CC2=O)s1 ZINC001258014952 1044341532 /nfs/dbraw/zinc/34/15/32/1044341532.db2.gz OPOQAUHZVIEEMT-OAQYLSRUSA-N 1 3 375.582 3.606 20 0 GHADHO COC(=O)CC[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001258358049 1044521514 /nfs/dbraw/zinc/52/15/14/1044521514.db2.gz MPVNEIRTGHEEQA-AJSBUHFISA-N 1 3 380.532 3.976 20 0 GHADHO COC(=O)CC[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001258358049 1044521524 /nfs/dbraw/zinc/52/15/24/1044521524.db2.gz MPVNEIRTGHEEQA-AJSBUHFISA-N 1 3 380.532 3.976 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401553 1044538990 /nfs/dbraw/zinc/53/89/90/1044538990.db2.gz NESAXUBNTQICRO-NGYIFUPDSA-N 1 3 386.580 3.697 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401553 1044539006 /nfs/dbraw/zinc/53/90/06/1044539006.db2.gz NESAXUBNTQICRO-NGYIFUPDSA-N 1 3 386.580 3.697 20 0 GHADHO CC1(C)COC2(CCC([NH2+]CC3CCN(Cc4cccnc4)CC3)CC2)OC1 ZINC001258521184 1044597470 /nfs/dbraw/zinc/59/74/70/1044597470.db2.gz CSRDVZHQBCILMQ-UHFFFAOYSA-N 1 3 387.568 3.595 20 0 GHADHO O=C1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC001258577614 1044653146 /nfs/dbraw/zinc/65/31/46/1044653146.db2.gz DTCFHXMFXGFFNY-OAQYLSRUSA-N 1 3 383.580 3.954 20 0 GHADHO CCC[NH+]1CCC(N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)CC1 ZINC001258774422 1044758584 /nfs/dbraw/zinc/75/85/84/1044758584.db2.gz NVTDRKJQOLKCJW-HSZRJFAPSA-N 1 3 395.591 3.937 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001262257833 1046222462 /nfs/dbraw/zinc/22/24/62/1046222462.db2.gz UDTLZNYBTQAYEV-YRXWBPOGSA-N 1 3 379.589 3.922 20 0 GHADHO Cc1csc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)c1Cl ZINC001279657477 1047899521 /nfs/dbraw/zinc/89/95/21/1047899521.db2.gz GSOPSYQAHLMEHY-UHFFFAOYSA-N 1 3 378.973 3.895 20 0 GHADHO Cc1csc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c1Cl ZINC001279657477 1047899538 /nfs/dbraw/zinc/89/95/38/1047899538.db2.gz GSOPSYQAHLMEHY-UHFFFAOYSA-N 1 3 378.973 3.895 20 0 GHADHO C[NH+](C)C1CCN(C(=O)C23CC(NCc4ccc(Cl)cc4Cl)(C2)C3)CC1 ZINC001279953379 1048006336 /nfs/dbraw/zinc/00/63/36/1048006336.db2.gz YAHFPAJBCQZYIL-UHFFFAOYSA-N 1 3 396.362 3.558 20 0 GHADHO CCOC(=O)CCCCN1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001280157304 1048110240 /nfs/dbraw/zinc/11/02/40/1048110240.db2.gz XMXQCDFVVZGZPZ-GOSISDBHSA-N 1 3 378.479 3.850 20 0 GHADHO CCOC(=O)CCCCN1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001280157304 1048110244 /nfs/dbraw/zinc/11/02/44/1048110244.db2.gz XMXQCDFVVZGZPZ-GOSISDBHSA-N 1 3 378.479 3.850 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](CC)[C@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001307683758 1049504061 /nfs/dbraw/zinc/50/40/61/1049504061.db2.gz KANZFQHUTJDKAS-UGKGYDQZSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](CC)[C@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001307683758 1049504070 /nfs/dbraw/zinc/50/40/70/1049504070.db2.gz KANZFQHUTJDKAS-UGKGYDQZSA-N 1 3 386.584 3.668 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001328690509 1050593704 /nfs/dbraw/zinc/59/37/04/1050593704.db2.gz DTCBRERVCIWTLB-JOCHJYFZSA-N 1 3 383.580 3.766 20 0 GHADHO O[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001335365441 1052085505 /nfs/dbraw/zinc/08/55/05/1052085505.db2.gz AMJQEHQAKUJQBI-HXUWFJFHSA-N 1 3 393.453 3.636 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@@H](O)c1ccc(F)cc1F)c1ccccc1O2 ZINC001335881226 1052197063 /nfs/dbraw/zinc/19/70/63/1052197063.db2.gz MCFQRJRHFQIJSC-VQTJNVASSA-N 1 3 388.458 3.576 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NCCC(=O)Nc1ccccc1)c1ccccc1O2 ZINC001336722171 1052315820 /nfs/dbraw/zinc/31/58/20/1052315820.db2.gz KNXIDPOHATWWOG-FQEVSTJZSA-N 1 3 379.504 3.593 20 0 GHADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001325579470 1057342751 /nfs/dbraw/zinc/34/27/51/1057342751.db2.gz JRQRIGPNDIEJBN-XQBPLPMBSA-N 1 3 392.632 3.553 20 0 GHADHO Cc1ccccc1NC(=[NH2+])NCCCCN1CCN(Cc2ccccc2)CC1 ZINC001326905054 1057571114 /nfs/dbraw/zinc/57/11/14/1057571114.db2.gz HRQLBFVCOIHESC-UHFFFAOYSA-N 1 3 379.552 3.529 20 0 GHADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCc2ccccc2F)cc1 ZINC000849087798 1057588495 /nfs/dbraw/zinc/58/84/95/1057588495.db2.gz OKALVKAJBSLDLF-LJQANCHMSA-N 1 3 384.499 3.503 20 0 GHADHO CCO[C@H](CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000849091396 1057591045 /nfs/dbraw/zinc/59/10/45/1057591045.db2.gz CYPCAZGTBDVLEQ-JOCHJYFZSA-N 1 3 386.584 3.750 20 0 GHADHO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849091431 1057591123 /nfs/dbraw/zinc/59/11/23/1057591123.db2.gz FXOHRELJEWURDP-PZJWPPBQSA-N 1 3 386.584 3.606 20 0 GHADHO CSc1ccc(F)cc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849096447 1057592513 /nfs/dbraw/zinc/59/25/13/1057592513.db2.gz FXNOWKDJOKJZHH-UHFFFAOYSA-N 1 3 386.540 3.826 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC001443577740 1059152447 /nfs/dbraw/zinc/15/24/47/1059152447.db2.gz GVCOWZAKMYJZNC-HXUWFJFHSA-N 1 3 377.960 3.541 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC001443577740 1059152452 /nfs/dbraw/zinc/15/24/52/1059152452.db2.gz GVCOWZAKMYJZNC-HXUWFJFHSA-N 1 3 377.960 3.541 20 0 GHADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(F)cc1 ZINC001346461069 1061578003 /nfs/dbraw/zinc/57/80/03/1061578003.db2.gz DJFRJFOWECMCFP-NRFANRHFSA-N 1 3 375.532 3.589 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccsc1 ZINC001457555830 1063244597 /nfs/dbraw/zinc/24/45/97/1063244597.db2.gz MLOWIEZBXWVJJD-ACRUOGEOSA-N 1 3 385.577 3.940 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccsc1 ZINC001457555830 1063244616 /nfs/dbraw/zinc/24/46/16/1063244616.db2.gz MLOWIEZBXWVJJD-ACRUOGEOSA-N 1 3 385.577 3.940 20 0 GHADHO Cc1cc(C)c(/C=C\CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)c1 ZINC001200046600 1065068680 /nfs/dbraw/zinc/06/86/80/1065068680.db2.gz TUVAJGOIODTWCQ-YFHOEESVSA-N 1 3 379.548 3.706 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001465515739 1065682495 /nfs/dbraw/zinc/68/24/95/1065682495.db2.gz RMZXRIMLYUOETH-PGRDOPGGSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001465515739 1065682501 /nfs/dbraw/zinc/68/25/01/1065682501.db2.gz RMZXRIMLYUOETH-PGRDOPGGSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001465916575 1065921063 /nfs/dbraw/zinc/92/10/63/1065921063.db2.gz YMJIUQSOGJWGEL-DYESRHJHSA-N 1 3 376.504 3.684 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001465916575 1065921070 /nfs/dbraw/zinc/92/10/70/1065921070.db2.gz YMJIUQSOGJWGEL-DYESRHJHSA-N 1 3 376.504 3.684 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001477596542 1078483346 /nfs/dbraw/zinc/48/33/46/1078483346.db2.gz WIZSHWNCMBNNOU-GEOZSUPMSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H](C)C[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001477596542 1078483347 /nfs/dbraw/zinc/48/33/47/1078483347.db2.gz WIZSHWNCMBNNOU-GEOZSUPMSA-N 1 3 392.632 3.649 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001468115428 1067600297 /nfs/dbraw/zinc/60/02/97/1067600297.db2.gz VVEDDPCGLOFFRX-RBBKRZOGSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001468115428 1067600302 /nfs/dbraw/zinc/60/03/02/1067600302.db2.gz VVEDDPCGLOFFRX-RBBKRZOGSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC001468265856 1067659044 /nfs/dbraw/zinc/65/90/44/1067659044.db2.gz HIEGPIOYACBQFV-RCLSDMTESA-N 1 3 388.600 3.734 20 0 GHADHO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC001468265856 1067659048 /nfs/dbraw/zinc/65/90/48/1067659048.db2.gz HIEGPIOYACBQFV-RCLSDMTESA-N 1 3 388.600 3.734 20 0 GHADHO CC(C)n1ncc2cc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)c(Cl)nc21 ZINC000849350069 1067816102 /nfs/dbraw/zinc/81/61/02/1067816102.db2.gz JNKPCCCSLVTMGM-INIZCTEOSA-N 1 3 375.948 3.877 20 0 GHADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057402 1078694982 /nfs/dbraw/zinc/69/49/82/1078694982.db2.gz KOFPYZSOUVSRJM-WOJBJXKFSA-N 1 3 392.975 3.506 20 0 GHADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057402 1078694986 /nfs/dbraw/zinc/69/49/86/1078694986.db2.gz KOFPYZSOUVSRJM-WOJBJXKFSA-N 1 3 392.975 3.506 20 0 GHADHO CC(C)N(C)c1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC001460089255 1068776031 /nfs/dbraw/zinc/77/60/31/1068776031.db2.gz HKEUQIROAGIYQW-DFNIBXOVSA-N 1 3 390.547 3.556 20 0 GHADHO CC(C)N(C)c1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC001460089255 1068776044 /nfs/dbraw/zinc/77/60/44/1068776044.db2.gz HKEUQIROAGIYQW-DFNIBXOVSA-N 1 3 390.547 3.556 20 0 GHADHO CC(C)N(C)C(=O)[C@H](C)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460549464 1068992995 /nfs/dbraw/zinc/99/29/95/1068992995.db2.gz WBWHRYIYKQXFIO-UGKGYDQZSA-N 1 3 385.596 3.864 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC001470413592 1072539661 /nfs/dbraw/zinc/53/96/61/1072539661.db2.gz BTLNEQZCXWVXOI-OAQYLSRUSA-N 1 3 390.616 3.717 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC001478700888 1078960156 /nfs/dbraw/zinc/96/01/56/1078960156.db2.gz KKRFDPUCGYEUCU-PXNSSMCTSA-N 1 3 392.613 3.575 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC001478700888 1078960159 /nfs/dbraw/zinc/96/01/59/1078960159.db2.gz KKRFDPUCGYEUCU-PXNSSMCTSA-N 1 3 392.613 3.575 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203438 1073854902 /nfs/dbraw/zinc/85/49/02/1073854902.db2.gz DUQFMCVCUYJGPX-FQEVSTJZSA-N 1 3 393.019 3.516 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203438 1073854915 /nfs/dbraw/zinc/85/49/15/1073854915.db2.gz DUQFMCVCUYJGPX-FQEVSTJZSA-N 1 3 393.019 3.516 20 0 GHADHO Cn1cc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019049 1074237352 /nfs/dbraw/zinc/23/73/52/1074237352.db2.gz LOXXCIFXOVDOSN-UWJYYQICSA-N 1 3 381.549 3.716 20 0 GHADHO Cn1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019049 1074237361 /nfs/dbraw/zinc/23/73/61/1074237361.db2.gz LOXXCIFXOVDOSN-UWJYYQICSA-N 1 3 381.549 3.716 20 0 GHADHO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001474387092 1074379511 /nfs/dbraw/zinc/37/95/11/1074379511.db2.gz PNGCABRLDLEIFU-OAADDMNDSA-N 1 3 399.579 3.932 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC001474421154 1074398585 /nfs/dbraw/zinc/39/85/85/1074398585.db2.gz GZQDJWZDRCNUIC-INAZGPRKSA-N 1 3 376.516 3.669 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc4c3NCCC4)C2)ccn1 ZINC001474641797 1074495613 /nfs/dbraw/zinc/49/56/13/1074495613.db2.gz HPMBMACFJGAJEU-HSZRJFAPSA-N 1 3 394.563 3.933 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc4c3NCCC4)C2)ccn1 ZINC001474641797 1074495618 /nfs/dbraw/zinc/49/56/18/1074495618.db2.gz HPMBMACFJGAJEU-HSZRJFAPSA-N 1 3 394.563 3.933 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC001474748170 1074544809 /nfs/dbraw/zinc/54/48/09/1074544809.db2.gz NOLGBABWFOAFLA-DJIMGWMZSA-N 1 3 395.389 3.593 20 0 GHADHO c1cncc(C[N@H+]2CCC3(C2)CCN(c2ncccc2CN2CCCC2)CC3)c1 ZINC001164959834 722024473 /nfs/dbraw/zinc/02/44/73/722024473.db2.gz IVIOSLJPMODAPU-UHFFFAOYSA-N 1 3 391.563 3.565 20 0 GHADHO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ncccc2CN2CCCC2)CC3)c1 ZINC001164959834 722024477 /nfs/dbraw/zinc/02/44/77/722024477.db2.gz IVIOSLJPMODAPU-UHFFFAOYSA-N 1 3 391.563 3.565 20 0 GHADHO Fc1ccc([C@@H]2OCC[C@H]2N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000635004211 834502094 /nfs/dbraw/zinc/50/20/94/834502094.db2.gz NJXNOAULYNZYFA-XMGTWHOFSA-N 1 3 386.442 3.640 20 0 GHADHO CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772408 834677393 /nfs/dbraw/zinc/67/73/93/834677393.db2.gz MVOAUIGFECUSTK-QFIPXVFZSA-N 1 3 391.559 3.780 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(SC)c3C)CC2)CC1 ZINC000654983433 834910036 /nfs/dbraw/zinc/91/00/36/834910036.db2.gz MENAKZLEMRXLGW-UHFFFAOYSA-N 1 3 375.582 3.852 20 0 GHADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ncc(-c2ccccc2)n1C ZINC000658069575 835409949 /nfs/dbraw/zinc/40/99/49/835409949.db2.gz HUMCUFPAMYSUHJ-GOSISDBHSA-N 1 3 382.552 3.629 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000658166829 835481308 /nfs/dbraw/zinc/48/13/08/835481308.db2.gz PNXZELZMZFDFIL-QGZVFWFLSA-N 1 3 392.547 3.874 20 0 GHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000547736437 835882602 /nfs/dbraw/zinc/88/26/02/835882602.db2.gz DXZMGGWFJAKUGI-QFIPXVFZSA-N 1 3 387.568 3.603 20 0 GHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000547736437 835882605 /nfs/dbraw/zinc/88/26/05/835882605.db2.gz DXZMGGWFJAKUGI-QFIPXVFZSA-N 1 3 387.568 3.603 20 0 GHADHO Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929677 836181261 /nfs/dbraw/zinc/18/12/61/836181261.db2.gz UYEAXKFCAOELRR-UXPWSPDFSA-N 1 3 389.902 3.597 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)CCO4)cc2)CC1 ZINC000178132642 836369531 /nfs/dbraw/zinc/36/95/31/836369531.db2.gz NTGAQLPBIIVWJH-IBGZPJMESA-N 1 3 379.548 3.610 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(Cl)cc2)N(C)C)[C@@H](C)C1 ZINC000531738424 844174504 /nfs/dbraw/zinc/17/45/04/844174504.db2.gz RHGSIDGDLDOWOE-DZFGPLHGSA-N 1 3 381.992 3.669 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(Cl)cc2)N(C)C)[C@@H](C)C1 ZINC000531738424 844174508 /nfs/dbraw/zinc/17/45/08/844174508.db2.gz RHGSIDGDLDOWOE-DZFGPLHGSA-N 1 3 381.992 3.669 20 0 GHADHO c1ccc(COc2cccc(CN3CCC(OCC[NH+]4CCCC4)CC3)c2)nc1 ZINC000093735207 844193037 /nfs/dbraw/zinc/19/30/37/844193037.db2.gz YVQVOXKJOVZQHS-UHFFFAOYSA-N 1 3 395.547 3.737 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000892585243 836793857 /nfs/dbraw/zinc/79/38/57/836793857.db2.gz RYLRCEFWAYOMSJ-MRXNPFEDSA-N 1 3 377.533 3.568 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000892585243 836793865 /nfs/dbraw/zinc/79/38/65/836793865.db2.gz RYLRCEFWAYOMSJ-MRXNPFEDSA-N 1 3 377.533 3.568 20 0 GHADHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(C(=O)OC)cc1 ZINC000414296908 836962268 /nfs/dbraw/zinc/96/22/68/836962268.db2.gz FTKBFBVOJCPDLW-JOCHJYFZSA-N 1 3 396.531 3.541 20 0 GHADHO OC1(C[NH2+][C@H]2CCSc3ccc(F)cc32)CCN(Cc2ccccc2)CC1 ZINC000414313904 837053581 /nfs/dbraw/zinc/05/35/81/837053581.db2.gz YWNLPNMAKAJPMU-FQEVSTJZSA-N 1 3 386.536 3.979 20 0 GHADHO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000655831859 837997830 /nfs/dbraw/zinc/99/78/30/837997830.db2.gz MCIWMLPPKSJJLJ-ACIOBRDBSA-N 1 3 397.607 3.914 20 0 GHADHO CCc1oc(CNCC2CC[NH+](Cc3cccs3)CC2)cc1C(=O)OC ZINC000549798725 844296594 /nfs/dbraw/zinc/29/65/94/844296594.db2.gz UCGLWLRZTLIYKD-UHFFFAOYSA-N 1 3 376.522 3.692 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000659306953 838239425 /nfs/dbraw/zinc/23/94/25/838239425.db2.gz KDVRKDDNQJJUFT-HSZRJFAPSA-N 1 3 377.532 3.769 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000415919542 838271131 /nfs/dbraw/zinc/27/11/31/838271131.db2.gz NFYSCSLNKFFGJN-UHFFFAOYSA-N 1 3 398.473 3.723 20 0 GHADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000271222273 838319724 /nfs/dbraw/zinc/31/97/24/838319724.db2.gz KRZVWYHQIAJCRX-GOSISDBHSA-N 1 3 394.357 3.584 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000415996407 838374096 /nfs/dbraw/zinc/37/40/96/838374096.db2.gz MRNLTBCRLVSPKI-OFNKIYASSA-N 1 3 390.531 3.808 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415996407 838374100 /nfs/dbraw/zinc/37/41/00/838374100.db2.gz MRNLTBCRLVSPKI-OFNKIYASSA-N 1 3 390.531 3.808 20 0 GHADHO Cc1cn2c(CNCc3ccc(OC4CC[NH+](C)CC4)cc3)c(C)nc2s1 ZINC000376729539 838657009 /nfs/dbraw/zinc/65/70/09/838657009.db2.gz QQSCYSDSCZIMDR-UHFFFAOYSA-N 1 3 384.549 3.775 20 0 GHADHO FC(F)(F)c1ccn(-c2ccc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)n1 ZINC000415059077 839130335 /nfs/dbraw/zinc/13/03/35/839130335.db2.gz WNGCSGOGUQUSCC-FUHWJXTLSA-N 1 3 378.442 3.855 20 0 GHADHO CC(=O)N1CC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccccc2C1 ZINC000378492157 839215398 /nfs/dbraw/zinc/21/53/98/839215398.db2.gz GGYXHWPSTGNSHF-DEOSSOPVSA-N 1 3 377.532 3.866 20 0 GHADHO CC[NH+]1CCC(NC[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000580304701 839215741 /nfs/dbraw/zinc/21/57/41/839215741.db2.gz TWWQZSTWDSDITP-LADGPHEKSA-N 1 3 382.548 3.536 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)N(CCOCC[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)C1 ZINC000580425055 839545167 /nfs/dbraw/zinc/54/51/67/839545167.db2.gz DSQPYJVOVGOHQZ-FAYOUJPWSA-N 1 3 394.563 3.959 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)N(CCOCC[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)C1 ZINC000580425055 839545176 /nfs/dbraw/zinc/54/51/76/839545176.db2.gz DSQPYJVOVGOHQZ-FAYOUJPWSA-N 1 3 394.563 3.959 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000418499517 840334279 /nfs/dbraw/zinc/33/42/79/840334279.db2.gz YDXOBHKIKOATQO-RBUKOAKNSA-N 1 3 380.536 3.512 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@]3(C)Cc3ccccc3)CC2)CC1 ZINC000584663594 840462678 /nfs/dbraw/zinc/46/26/78/840462678.db2.gz HCPAFYKOHZHFKW-VWLOTQADSA-N 1 3 397.607 3.807 20 0 GHADHO C[C@H]1C[C@H](NCCNC(=O)c2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581208226 840851806 /nfs/dbraw/zinc/85/18/06/840851806.db2.gz KFFFKALONPOIBW-PKOBYXMFSA-N 1 3 385.939 3.713 20 0 GHADHO C[C@H]1C[C@H](NCCNC(=O)c2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000581208226 840851815 /nfs/dbraw/zinc/85/18/15/840851815.db2.gz KFFFKALONPOIBW-PKOBYXMFSA-N 1 3 385.939 3.713 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000418225935 841669382 /nfs/dbraw/zinc/66/93/82/841669382.db2.gz AGCPRCSYEKZXGE-MGPUTAFESA-N 1 3 386.565 3.530 20 0 GHADHO COc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1OCc1cccnc1 ZINC000656785288 841922941 /nfs/dbraw/zinc/92/29/41/841922941.db2.gz GNNHANAFOBYGOF-QFIPXVFZSA-N 1 3 395.547 3.881 20 0 GHADHO C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1)c1ccccc1 ZINC000656787641 841927305 /nfs/dbraw/zinc/92/73/05/841927305.db2.gz PYSYXQUJPOTWPL-XUVXKRRUSA-N 1 3 395.547 3.675 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@@H](C)O1 ZINC000177749779 861264326 /nfs/dbraw/zinc/26/43/26/861264326.db2.gz ALDDSANFWXGXKF-HUUCEWRRSA-N 1 3 398.473 3.571 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1(C)C ZINC000623643446 861267429 /nfs/dbraw/zinc/26/74/29/861267429.db2.gz YLVNITCHHQTWDF-UGKGYDQZSA-N 1 3 377.532 3.846 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000652362913 842370465 /nfs/dbraw/zinc/37/04/65/842370465.db2.gz SPPZQFKQVIATQE-AKIFATBCSA-N 1 3 393.531 3.800 20 0 GHADHO CC(C)N1CC[NH+](CCCN2CC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000662092384 842632513 /nfs/dbraw/zinc/63/25/13/842632513.db2.gz LJRWUUIJXUUWIV-LJQANCHMSA-N 1 3 380.374 3.612 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662388913 843184907 /nfs/dbraw/zinc/18/49/07/843184907.db2.gz QERLRAPKGAHMDE-FDDCHVKYSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662388913 843184916 /nfs/dbraw/zinc/18/49/16/843184916.db2.gz QERLRAPKGAHMDE-FDDCHVKYSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430955619 843252179 /nfs/dbraw/zinc/25/21/79/843252179.db2.gz ZQYSCCXKSLXFJS-ACJLOTCBSA-N 1 3 384.351 3.716 20 0 GHADHO CC(C)C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[NH2+][C@@H](C)c1ccccc1 ZINC000662455561 843285252 /nfs/dbraw/zinc/28/52/52/843285252.db2.gz ZLTZFMRKAMPZBK-QFBILLFUSA-N 1 3 385.577 3.889 20 0 GHADHO CN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418659460 843509696 /nfs/dbraw/zinc/50/96/96/843509696.db2.gz LYJGCBSVTBKZKV-PKTZIBPZSA-N 1 3 394.563 3.773 20 0 GHADHO O=C(NCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)c1cccs1 ZINC000512626568 844804521 /nfs/dbraw/zinc/80/45/21/844804521.db2.gz VJMWFCBEYJMCJK-NJDAHSKKSA-N 1 3 397.588 3.758 20 0 GHADHO O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512647355 844891124 /nfs/dbraw/zinc/89/11/24/844891124.db2.gz HPFWUNBWXXKUKP-DNVJHFABSA-N 1 3 383.580 3.669 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)N1CCCCCC1 ZINC000512666129 844960490 /nfs/dbraw/zinc/96/04/90/844960490.db2.gz IZNJOYWLMDZGKV-RJGXRXQPSA-N 1 3 383.580 3.669 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000411455943 845481086 /nfs/dbraw/zinc/48/10/86/845481086.db2.gz LZQQWLBNLFSKJT-XMMPIXPASA-N 1 3 393.575 3.939 20 0 GHADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000472096744 845828078 /nfs/dbraw/zinc/82/80/78/845828078.db2.gz SZWBFBUYVIUJSN-QFIPXVFZSA-N 1 3 386.584 3.649 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1O ZINC000582032422 846107063 /nfs/dbraw/zinc/10/70/63/846107063.db2.gz HOKXXKXHAMUHMH-FQEVSTJZSA-N 1 3 397.563 3.649 20 0 GHADHO CC(C)c1ccc([C@@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000157741946 846154067 /nfs/dbraw/zinc/15/40/67/846154067.db2.gz CPOJFJNSEVNYNR-IBGZPJMESA-N 1 3 385.596 3.978 20 0 GHADHO CCc1cccc(OC[C@@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000582057994 846185030 /nfs/dbraw/zinc/18/50/30/846185030.db2.gz LUSDMGQOKCJPND-XXBNENTESA-N 1 3 382.548 3.804 20 0 GHADHO O[C@@H](CCc1ccccc1)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554591 846608077 /nfs/dbraw/zinc/60/80/77/846608077.db2.gz RIUBBPAFWWLDNH-LOSJGSFVSA-N 1 3 378.560 3.968 20 0 GHADHO O[C@@H](CCc1ccccc1)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554591 846608086 /nfs/dbraw/zinc/60/80/86/846608086.db2.gz RIUBBPAFWWLDNH-LOSJGSFVSA-N 1 3 378.560 3.968 20 0 GHADHO COc1ccc([C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C(C)C)c(F)c1 ZINC000421842305 846632615 /nfs/dbraw/zinc/63/26/15/846632615.db2.gz NNTFZJGFFHFAKI-CVDCTZTESA-N 1 3 386.511 3.888 20 0 GHADHO COc1ccc([C@@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C(C)C)c(F)c1 ZINC000421842305 846632620 /nfs/dbraw/zinc/63/26/20/846632620.db2.gz NNTFZJGFFHFAKI-CVDCTZTESA-N 1 3 386.511 3.888 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC(C[NH+](CC)CC)CC1)c1ccsc1 ZINC000501167767 846707097 /nfs/dbraw/zinc/70/70/97/846707097.db2.gz WFSDLIAMDKNBGS-HXUWFJFHSA-N 1 3 394.629 3.894 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(C(=O)c3ccccc3SC(C)C)CC2)CC1 ZINC000422012216 846752267 /nfs/dbraw/zinc/75/22/67/846752267.db2.gz VQLPGCLXOFNYQH-UHFFFAOYSA-N 1 3 389.609 3.819 20 0 GHADHO CCN1CCC([N@H+]2CCCN(C(=O)c3ccccc3SC(C)C)CC2)CC1 ZINC000422012216 846752271 /nfs/dbraw/zinc/75/22/71/846752271.db2.gz VQLPGCLXOFNYQH-UHFFFAOYSA-N 1 3 389.609 3.819 20 0 GHADHO CC(C)N1CCN(c2cccc(NC(=O)CC[N@H+](C)C3CCCCC3)c2)CC1 ZINC000548721137 846803312 /nfs/dbraw/zinc/80/33/12/846803312.db2.gz NLEPQRWCHIQURY-UHFFFAOYSA-N 1 3 386.584 3.810 20 0 GHADHO CC(C)N1CCN(c2cccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000548721137 846803315 /nfs/dbraw/zinc/80/33/15/846803315.db2.gz NLEPQRWCHIQURY-UHFFFAOYSA-N 1 3 386.584 3.810 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)c1ccccc1Cl ZINC000503133132 846835900 /nfs/dbraw/zinc/83/59/00/846835900.db2.gz BFYJNNFKPXTYQV-FQEVSTJZSA-N 1 3 392.975 3.603 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3ccc4c(c3)oc(=O)n4C)cc2)C1 ZINC000509944767 846874747 /nfs/dbraw/zinc/87/47/47/846874747.db2.gz QOCLEFYWWBINJE-HDICACEKSA-N 1 3 393.531 3.899 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3ccc4c(c3)oc(=O)n4C)cc2)C1 ZINC000509944767 846874750 /nfs/dbraw/zinc/87/47/50/846874750.db2.gz QOCLEFYWWBINJE-HDICACEKSA-N 1 3 393.531 3.899 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC000513774216 847148102 /nfs/dbraw/zinc/14/81/02/847148102.db2.gz WOMBOVAXPBMVRP-CVDCTZTESA-N 1 3 379.548 3.921 20 0 GHADHO CCN(C(=O)CN1CCC(CCC[NH+](C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000501773776 847175699 /nfs/dbraw/zinc/17/56/99/847175699.db2.gz LNDVFJWBLNGXOD-SFHVURJKSA-N 1 3 377.548 3.789 20 0 GHADHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000420986796 847593754 /nfs/dbraw/zinc/59/37/54/847593754.db2.gz ZBBBGQAHBVTOLR-QGZVFWFLSA-N 1 3 381.511 3.841 20 0 GHADHO CCN1CCC([N@H+]2CCCN([C@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000420986796 847593759 /nfs/dbraw/zinc/59/37/59/847593759.db2.gz ZBBBGQAHBVTOLR-QGZVFWFLSA-N 1 3 381.511 3.841 20 0 GHADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc3ccccc32)C2CCCC2)C1 ZINC000414694209 847832062 /nfs/dbraw/zinc/83/20/62/847832062.db2.gz MTIVMIDALIVQDH-LJQANCHMSA-N 1 3 379.548 3.782 20 0 GHADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc3ccccc32)C2CCCC2)C1 ZINC000414694209 847832068 /nfs/dbraw/zinc/83/20/68/847832068.db2.gz MTIVMIDALIVQDH-LJQANCHMSA-N 1 3 379.548 3.782 20 0 GHADHO CCOCCOCc1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422870386 847874742 /nfs/dbraw/zinc/87/47/42/847874742.db2.gz YRHRRHGSXNHTCL-UPVQGACJSA-N 1 3 396.531 3.585 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422927001 847892806 /nfs/dbraw/zinc/89/28/06/847892806.db2.gz XWGLDKGWSHVCNS-JTQLQIEISA-N 1 3 388.821 3.646 20 0 GHADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056586 847955828 /nfs/dbraw/zinc/95/58/28/847955828.db2.gz YOSVUGPJFJMHDD-RYGJVYDSSA-N 1 3 379.470 3.856 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056586 847955838 /nfs/dbraw/zinc/95/58/38/847955838.db2.gz YOSVUGPJFJMHDD-RYGJVYDSSA-N 1 3 379.470 3.856 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000582734672 848212582 /nfs/dbraw/zinc/21/25/82/848212582.db2.gz QTZHUSOVLDBNJV-UHFFFAOYSA-N 1 3 387.955 3.648 20 0 GHADHO CC[C@H](C)Oc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657593693 848285731 /nfs/dbraw/zinc/28/57/31/848285731.db2.gz BLYYUPSYGGLXDM-PGRDOPGGSA-N 1 3 398.547 3.729 20 0 GHADHO CC[C@H](C)Oc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657593693 848285746 /nfs/dbraw/zinc/28/57/46/848285746.db2.gz BLYYUPSYGGLXDM-PGRDOPGGSA-N 1 3 398.547 3.729 20 0 GHADHO [NH3+][C@H](CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000237849868 848728139 /nfs/dbraw/zinc/72/81/39/848728139.db2.gz MAAOUTDDVDGTSJ-OAQYLSRUSA-N 1 3 385.939 3.758 20 0 GHADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604201837 861940729 /nfs/dbraw/zinc/94/07/29/861940729.db2.gz LDJJKPKYPQNVKT-JOCHJYFZSA-N 1 3 386.584 3.825 20 0 GHADHO CN1CCC(O)(C[NH2+][C@@H]2CCC(C)(C)c3ccc(Br)cc32)CC1 ZINC000481653033 861951795 /nfs/dbraw/zinc/95/17/95/861951795.db2.gz AYSPDGLLAIRBCM-QGZVFWFLSA-N 1 3 381.358 3.608 20 0 GHADHO Cc1cc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079526 849027643 /nfs/dbraw/zinc/02/76/43/849027643.db2.gz YFRPLTKGUSMCLT-FUHWJXTLSA-N 1 3 380.960 3.585 20 0 GHADHO Cc1cc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079526 849027648 /nfs/dbraw/zinc/02/76/48/849027648.db2.gz YFRPLTKGUSMCLT-FUHWJXTLSA-N 1 3 380.960 3.585 20 0 GHADHO Cc1cc(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079526 849027656 /nfs/dbraw/zinc/02/76/56/849027656.db2.gz YFRPLTKGUSMCLT-FUHWJXTLSA-N 1 3 380.960 3.585 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000079610853 849140158 /nfs/dbraw/zinc/14/01/58/849140158.db2.gz VRXQLVOGPJEJSD-JOCHJYFZSA-N 1 3 386.584 3.585 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000079610853 849140162 /nfs/dbraw/zinc/14/01/62/849140162.db2.gz VRXQLVOGPJEJSD-JOCHJYFZSA-N 1 3 386.584 3.585 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000535940287 849163788 /nfs/dbraw/zinc/16/37/88/849163788.db2.gz CSNXJWJHIAPZOK-QUCCMNQESA-N 1 3 392.613 3.504 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423295349 849857572 /nfs/dbraw/zinc/85/75/72/849857572.db2.gz WSACMPDUIHFBNN-BULFRSBZSA-N 1 3 386.561 3.889 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423388950 849896653 /nfs/dbraw/zinc/89/66/53/849896653.db2.gz UPBGRVMVYDSMAB-NQBHXWOUSA-N 1 3 377.838 3.806 20 0 GHADHO COc1ccc(Cl)cc1[C@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423565290 849981769 /nfs/dbraw/zinc/98/17/69/849981769.db2.gz LPIJQXQVXBOAPD-KRWDZBQOSA-N 1 3 387.955 3.993 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)C[C@H](c4ccccc4)[C@H]3C)CC2)CC1 ZINC000569708658 850486061 /nfs/dbraw/zinc/48/60/61/850486061.db2.gz VNMLSESVQZQVPA-REHUZNOOSA-N 1 3 397.607 3.976 20 0 GHADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1Cl ZINC000439965239 850614145 /nfs/dbraw/zinc/61/41/45/850614145.db2.gz FNEAKMVGJWUSJA-GOSISDBHSA-N 1 3 379.932 3.626 20 0 GHADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCN3C3CCCC3)cc2)C1 ZINC000440259924 850973540 /nfs/dbraw/zinc/97/35/40/850973540.db2.gz MJRCPTWWESTYME-PGRDOPGGSA-N 1 3 385.552 3.753 20 0 GHADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCN3C3CCCC3)cc2)C1 ZINC000440259924 850973555 /nfs/dbraw/zinc/97/35/55/850973555.db2.gz MJRCPTWWESTYME-PGRDOPGGSA-N 1 3 385.552 3.753 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000519361838 850980072 /nfs/dbraw/zinc/98/00/72/850980072.db2.gz GWJMXAHLAVCHHM-CTNGQTDRSA-N 1 3 389.559 3.666 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000519361838 850980079 /nfs/dbraw/zinc/98/00/79/850980079.db2.gz GWJMXAHLAVCHHM-CTNGQTDRSA-N 1 3 389.559 3.666 20 0 GHADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000515475646 851074660 /nfs/dbraw/zinc/07/46/60/851074660.db2.gz CEXARHSNNKIWOB-FGZHOGPDSA-N 1 3 383.536 3.748 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000514011090 851116973 /nfs/dbraw/zinc/11/69/73/851116973.db2.gz JXWKWMZUMZKPFX-NZQKXSOJSA-N 1 3 394.563 3.643 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000514011090 851116978 /nfs/dbraw/zinc/11/69/78/851116978.db2.gz JXWKWMZUMZKPFX-NZQKXSOJSA-N 1 3 394.563 3.643 20 0 GHADHO Cc1csc(N2CCC([NH2+]C[C@@H]3CNCC[C@@H]3c3ccc(F)cc3)CC2)n1 ZINC000415013974 851151275 /nfs/dbraw/zinc/15/12/75/851151275.db2.gz ZBNQVLWXYKJEMF-FXAWDEMLSA-N 1 3 388.556 3.542 20 0 GHADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000514111308 851251465 /nfs/dbraw/zinc/25/14/65/851251465.db2.gz OZFIPKOXGWQFKY-GOSISDBHSA-N 1 3 381.511 3.575 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]CC[C@H]3CCOC3)CC2)c1 ZINC000438068104 852003851 /nfs/dbraw/zinc/00/38/51/852003851.db2.gz XPCDZYVHESHTHC-SFHVURJKSA-N 1 3 399.501 3.624 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167961487 852551740 /nfs/dbraw/zinc/55/17/40/852551740.db2.gz LYHCHJCAXHQFCF-XAOHYQHJSA-N 1 3 377.573 3.769 20 0 GHADHO C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000438567083 852585915 /nfs/dbraw/zinc/58/59/15/852585915.db2.gz LCWITIGYPKNLMI-FQEVSTJZSA-N 1 3 383.511 3.781 20 0 GHADHO Cc1cc2c(cc1F)nc1c(c2N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCCC1 ZINC000664598830 852633872 /nfs/dbraw/zinc/63/38/72/852633872.db2.gz WOOZJYIPXRMKSA-QGZVFWFLSA-N 1 3 383.511 3.597 20 0 GHADHO Cc1cc2c(cc1F)nc1c(c2N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCCC1 ZINC000664598830 852633879 /nfs/dbraw/zinc/63/38/79/852633879.db2.gz WOOZJYIPXRMKSA-QGZVFWFLSA-N 1 3 383.511 3.597 20 0 GHADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)([NH+](C)C)C1 ZINC000516560917 852724669 /nfs/dbraw/zinc/72/46/69/852724669.db2.gz LYDQQRKSTSKMDE-OPYAIIAOSA-N 1 3 392.613 3.695 20 0 GHADHO CC[C@@H](C)Oc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000518394369 853299996 /nfs/dbraw/zinc/29/99/96/853299996.db2.gz RSBGAQYUEPKXJJ-GOSISDBHSA-N 1 3 387.568 3.999 20 0 GHADHO O=C1C[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988693 853691424 /nfs/dbraw/zinc/69/14/24/853691424.db2.gz MWLNHQCYIGHQFS-INXDJGNKSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988693 853691435 /nfs/dbraw/zinc/69/14/35/853691435.db2.gz MWLNHQCYIGHQFS-INXDJGNKSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988693 853691443 /nfs/dbraw/zinc/69/14/43/853691443.db2.gz MWLNHQCYIGHQFS-INXDJGNKSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988693 853691452 /nfs/dbraw/zinc/69/14/52/853691452.db2.gz MWLNHQCYIGHQFS-INXDJGNKSA-N 1 3 397.538 3.660 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000481912779 862510970 /nfs/dbraw/zinc/51/09/70/862510970.db2.gz BMGPNUAMHKJOLT-DEOSSOPVSA-N 1 3 378.564 3.850 20 0 GHADHO C(OC[C@]12COC[C@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2)C1CCCC1 ZINC001167991856 854299192 /nfs/dbraw/zinc/29/91/92/854299192.db2.gz FKSGDLKLGDDRRT-HJQSFINYSA-N 1 3 388.596 3.547 20 0 GHADHO C(OC[C@]12COC[C@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2)C1CCCC1 ZINC001167991856 854299202 /nfs/dbraw/zinc/29/92/02/854299202.db2.gz FKSGDLKLGDDRRT-HJQSFINYSA-N 1 3 388.596 3.547 20 0 GHADHO NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994314 854436752 /nfs/dbraw/zinc/43/67/52/854436752.db2.gz BNMQJNUKVILPEZ-ARMVQHAZSA-N 1 3 381.564 3.515 20 0 GHADHO NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994314 854436757 /nfs/dbraw/zinc/43/67/57/854436757.db2.gz BNMQJNUKVILPEZ-ARMVQHAZSA-N 1 3 381.564 3.515 20 0 GHADHO COc1ccc([C@@H]2C[C@H]([NH2+]CC3CCN(Cc4ccccn4)CC3)CCO2)cc1 ZINC001168617619 855073002 /nfs/dbraw/zinc/07/30/02/855073002.db2.gz VCLVNGGPGRMSSN-QPPBQGQZSA-N 1 3 395.547 3.812 20 0 GHADHO CN(C)[C@@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000108412455 855868540 /nfs/dbraw/zinc/86/85/40/855868540.db2.gz IRBQUOBXRYFPOT-QFIPXVFZSA-N 1 3 386.584 3.587 20 0 GHADHO CN(C)[C@@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000108412455 855868545 /nfs/dbraw/zinc/86/85/45/855868545.db2.gz IRBQUOBXRYFPOT-QFIPXVFZSA-N 1 3 386.584 3.587 20 0 GHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccccc2-n2cccn2)CC1 ZINC000674676849 856709261 /nfs/dbraw/zinc/70/92/61/856709261.db2.gz XOIIZLILRJZDHE-UHFFFAOYSA-N 1 3 395.938 3.567 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](O)COCc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012216 857371195 /nfs/dbraw/zinc/37/11/95/857371195.db2.gz YCHOXMZGSXDHBU-KZTDQWPFSA-N 1 3 382.548 3.595 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](O)COCc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012216 857371206 /nfs/dbraw/zinc/37/12/06/857371206.db2.gz YCHOXMZGSXDHBU-KZTDQWPFSA-N 1 3 382.548 3.595 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3cc(Br)ccc32)C[C@@H](C)O1 ZINC000675783387 857611936 /nfs/dbraw/zinc/61/19/36/857611936.db2.gz HEABVZZQZJJCMN-SPYBWZPUSA-N 1 3 381.358 3.915 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786986 857613327 /nfs/dbraw/zinc/61/33/27/857613327.db2.gz PEGHMNNOBWSPRI-TZIWHRDSSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786986 857613329 /nfs/dbraw/zinc/61/33/29/857613329.db2.gz PEGHMNNOBWSPRI-TZIWHRDSSA-N 1 3 375.520 3.830 20 0 GHADHO COc1ccc([C@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000675882878 857660166 /nfs/dbraw/zinc/66/01/66/857660166.db2.gz UKYYSWXGLZUHMW-YOEHRIQHSA-N 1 3 397.357 3.752 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCOc3ccc(OCC)cc32)[C@@H](C)C1 ZINC000675885258 857661274 /nfs/dbraw/zinc/66/12/74/857661274.db2.gz NEAUCYIHKHAVLR-YYWHXJBOSA-N 1 3 376.541 3.636 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000064237193 857687489 /nfs/dbraw/zinc/68/74/89/857687489.db2.gz VVHCCAFUAXKAGV-SJBKTWHCSA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000064237193 857687496 /nfs/dbraw/zinc/68/74/96/857687496.db2.gz VVHCCAFUAXKAGV-SJBKTWHCSA-N 1 3 386.584 3.552 20 0 GHADHO C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013680 857707259 /nfs/dbraw/zinc/70/72/59/857707259.db2.gz IMYBYJZTGDZFPK-GNBUJSLZSA-N 1 3 375.557 3.931 20 0 GHADHO C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013680 857707267 /nfs/dbraw/zinc/70/72/67/857707267.db2.gz IMYBYJZTGDZFPK-GNBUJSLZSA-N 1 3 375.557 3.931 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)CCC2 ZINC000594496027 858191344 /nfs/dbraw/zinc/19/13/44/858191344.db2.gz XPDMHWWRSQSYKJ-QHCPKHFHSA-N 1 3 396.531 3.971 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3ccnc4ccccc34)CC2)cc1 ZINC000596245096 858828350 /nfs/dbraw/zinc/82/83/50/858828350.db2.gz PQIYWZWMWYDRBR-UHFFFAOYSA-N 1 3 388.559 3.922 20 0 GHADHO COc1cccc(C[C@@H](CO)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168020739 858852606 /nfs/dbraw/zinc/85/26/06/858852606.db2.gz NKETWLSGBHGYIQ-YDLSIGKMSA-N 1 3 382.548 3.630 20 0 GHADHO COc1cccc(C[C@@H](CO)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168020739 858852618 /nfs/dbraw/zinc/85/26/18/858852618.db2.gz NKETWLSGBHGYIQ-YDLSIGKMSA-N 1 3 382.548 3.630 20 0 GHADHO Cc1cc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc(C)c1F ZINC000482817754 858888922 /nfs/dbraw/zinc/88/89/22/858888922.db2.gz GULJRDAIORZCSU-GHTZIAJQSA-N 1 3 397.538 3.991 20 0 GHADHO Cc1cc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc(C)c1F ZINC000482817754 858888928 /nfs/dbraw/zinc/88/89/28/858888928.db2.gz GULJRDAIORZCSU-GHTZIAJQSA-N 1 3 397.538 3.991 20 0 GHADHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000482885657 858941411 /nfs/dbraw/zinc/94/14/11/858941411.db2.gz HUBUHPOKIKTYAX-SFHVURJKSA-N 1 3 386.367 3.977 20 0 GHADHO C[C@H](NC[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185747440 859125101 /nfs/dbraw/zinc/12/51/01/859125101.db2.gz UJEPUHBBCSXACN-UYLMIGBBSA-N 1 3 386.580 3.684 20 0 GHADHO C[C@H](NC[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185747440 859125106 /nfs/dbraw/zinc/12/51/06/859125106.db2.gz UJEPUHBBCSXACN-UYLMIGBBSA-N 1 3 386.580 3.684 20 0 GHADHO C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000185747440 859125113 /nfs/dbraw/zinc/12/51/13/859125113.db2.gz UJEPUHBBCSXACN-UYLMIGBBSA-N 1 3 386.580 3.684 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000483298776 859279363 /nfs/dbraw/zinc/27/93/63/859279363.db2.gz WDHXEIMZVMLSTK-JXFKEZNVSA-N 1 3 389.490 3.683 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000483298776 859279375 /nfs/dbraw/zinc/27/93/75/859279375.db2.gz WDHXEIMZVMLSTK-JXFKEZNVSA-N 1 3 389.490 3.683 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558552 881424054 /nfs/dbraw/zinc/42/40/54/881424054.db2.gz JMKLUAQQSKAQRO-UGKGYDQZSA-N 1 3 395.547 3.941 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558552 881424066 /nfs/dbraw/zinc/42/40/66/881424066.db2.gz JMKLUAQQSKAQRO-UGKGYDQZSA-N 1 3 395.547 3.941 20 0 GHADHO C[C@@H](CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543379241 859472619 /nfs/dbraw/zinc/47/26/19/859472619.db2.gz HKZNKMFOSOMODM-LEWJYISDSA-N 1 3 386.584 3.557 20 0 GHADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484152147 859839742 /nfs/dbraw/zinc/83/97/42/859839742.db2.gz OVNUWXJJFQCVRA-NKKJXINNSA-N 1 3 380.532 3.545 20 0 GHADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484152147 859839755 /nfs/dbraw/zinc/83/97/55/859839755.db2.gz OVNUWXJJFQCVRA-NKKJXINNSA-N 1 3 380.532 3.545 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000568605545 860234297 /nfs/dbraw/zinc/23/42/97/860234297.db2.gz QVHHEXAALQRIJG-FPOVZHCZSA-N 1 3 388.943 3.552 20 0 GHADHO COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n2c1CCCC2 ZINC000598639533 860468231 /nfs/dbraw/zinc/46/82/31/860468231.db2.gz TWNITSFHOKLCDC-AZUAARDMSA-N 1 3 395.547 3.611 20 0 GHADHO Cc1ccc(-c2csc3ncnc(NC(=[NH2+])N4CCN(C)CC4)c23)cc1C ZINC001168735511 860641297 /nfs/dbraw/zinc/64/12/97/860641297.db2.gz RRLCBBQKISTMMG-UHFFFAOYSA-N 1 3 380.521 3.569 20 0 GHADHO Cc1ccc(OCC[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856600169 881574395 /nfs/dbraw/zinc/57/43/95/881574395.db2.gz WYPADJSDFOBTRG-HSZRJFAPSA-N 1 3 383.536 3.762 20 0 GHADHO Cc1ccc(OCC[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856600169 881574409 /nfs/dbraw/zinc/57/44/09/881574409.db2.gz WYPADJSDFOBTRG-HSZRJFAPSA-N 1 3 383.536 3.762 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCOCc3ccccc3)C2)ccn1 ZINC000856607074 881584544 /nfs/dbraw/zinc/58/45/44/881584544.db2.gz VAKOUYRIQMJQPG-QHCPKHFHSA-N 1 3 383.536 3.592 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCOCc3ccccc3)C2)ccn1 ZINC000856607074 881584560 /nfs/dbraw/zinc/58/45/60/881584560.db2.gz VAKOUYRIQMJQPG-QHCPKHFHSA-N 1 3 383.536 3.592 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)CC2)C1 ZINC000532232692 881584720 /nfs/dbraw/zinc/58/47/20/881584720.db2.gz YCMLPXGOMGEUCL-KAKDDGLXSA-N 1 3 399.623 3.502 20 0 GHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000481328977 861077518 /nfs/dbraw/zinc/07/75/18/861077518.db2.gz WFEZYCDKAJHBEH-MOPGFXCFSA-N 1 3 378.520 3.906 20 0 GHADHO CCOC(=O)c1cccc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000600142497 861116244 /nfs/dbraw/zinc/11/62/44/861116244.db2.gz OXPWFLYGYGJVPW-AZUAARDMSA-N 1 3 381.520 3.649 20 0 GHADHO CCOC(=O)c1cccc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000600142497 861116253 /nfs/dbraw/zinc/11/62/53/861116253.db2.gz OXPWFLYGYGJVPW-AZUAARDMSA-N 1 3 381.520 3.649 20 0 GHADHO C[N@H+](Cc1ccccc1CN[C@H]1CCCC[C@@H]1S(C)(=O)=O)C1CCCCC1 ZINC000182534462 863267822 /nfs/dbraw/zinc/26/78/22/863267822.db2.gz JODKQSKDGSSKKM-VXKWHMMOSA-N 1 3 392.609 3.897 20 0 GHADHO C[N@@H+](Cc1ccccc1CN[C@H]1CCCC[C@@H]1S(C)(=O)=O)C1CCCCC1 ZINC000182534462 863267831 /nfs/dbraw/zinc/26/78/31/863267831.db2.gz JODKQSKDGSSKKM-VXKWHMMOSA-N 1 3 392.609 3.897 20 0 GHADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000281585787 863268611 /nfs/dbraw/zinc/26/86/11/863268611.db2.gz LLLLEBQYBVPKJU-DENIHFKCSA-N 1 3 384.495 3.568 20 0 GHADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000281585787 863268618 /nfs/dbraw/zinc/26/86/18/863268618.db2.gz LLLLEBQYBVPKJU-DENIHFKCSA-N 1 3 384.495 3.568 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000606622012 863740940 /nfs/dbraw/zinc/74/09/40/863740940.db2.gz OJXLCVQOELUBMK-QFIPXVFZSA-N 1 3 386.584 3.512 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000606622012 863740943 /nfs/dbraw/zinc/74/09/43/863740943.db2.gz OJXLCVQOELUBMK-QFIPXVFZSA-N 1 3 386.584 3.512 20 0 GHADHO C[NH2+]Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000428335465 863769007 /nfs/dbraw/zinc/76/90/07/863769007.db2.gz XXRUJYPIKFADPO-FQEVSTJZSA-N 1 3 391.437 3.799 20 0 GHADHO CN(C)Cc1cnc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898518749 864079002 /nfs/dbraw/zinc/07/90/02/864079002.db2.gz KXRKIRMPHBHGFU-AABGKKOBSA-N 1 3 384.593 3.595 20 0 GHADHO CN(C)Cc1cnc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898518749 864079018 /nfs/dbraw/zinc/07/90/18/864079018.db2.gz KXRKIRMPHBHGFU-AABGKKOBSA-N 1 3 384.593 3.595 20 0 GHADHO FC(F)(F)Cn1ccnc1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522737 864089792 /nfs/dbraw/zinc/08/97/92/864089792.db2.gz SVPCHFMXPLAEQV-CEXWTWQISA-N 1 3 392.469 3.836 20 0 GHADHO FC(F)(F)Cn1ccnc1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522737 864089811 /nfs/dbraw/zinc/08/98/11/864089811.db2.gz SVPCHFMXPLAEQV-CEXWTWQISA-N 1 3 392.469 3.836 20 0 GHADHO Cc1cc(Br)cc2c1[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000494449564 881737549 /nfs/dbraw/zinc/73/75/49/881737549.db2.gz BUGFGVBECPYIQE-MAUKXSAKSA-N 1 3 381.358 3.835 20 0 GHADHO Cc1cc(Br)cc2c1[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000494449564 881737536 /nfs/dbraw/zinc/73/75/36/881737536.db2.gz BUGFGVBECPYIQE-MAUKXSAKSA-N 1 3 381.358 3.835 20 0 GHADHO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c2ccccc21 ZINC000621751517 864398094 /nfs/dbraw/zinc/39/80/94/864398094.db2.gz IGJFNTRQOGWJJO-GGAORHGYSA-N 1 3 377.532 3.639 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)N2CCCC2)cc1 ZINC000622452117 865002091 /nfs/dbraw/zinc/00/20/91/865002091.db2.gz OITDSEUHYDCYBZ-OAQYLSRUSA-N 1 3 386.584 3.648 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)N2CCCC2)cc1 ZINC000622452117 865002101 /nfs/dbraw/zinc/00/21/01/865002101.db2.gz OITDSEUHYDCYBZ-OAQYLSRUSA-N 1 3 386.584 3.648 20 0 GHADHO C[C@H](CCSc1ccccc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000554873328 865072377 /nfs/dbraw/zinc/07/23/77/865072377.db2.gz XKIOTMAGDBPXQA-HXUWFJFHSA-N 1 3 375.626 3.907 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@@H](C)C1 ZINC000480702875 865115650 /nfs/dbraw/zinc/11/56/50/865115650.db2.gz YDKZIAMBIVRJGL-UNMCSNQZSA-N 1 3 388.600 3.545 20 0 GHADHO COCC[N@H+](C)CCCN[C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000480748418 865192735 /nfs/dbraw/zinc/19/27/35/865192735.db2.gz LFTMWGNPXGZESI-QGZVFWFLSA-N 1 3 377.529 3.885 20 0 GHADHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000480748418 865192742 /nfs/dbraw/zinc/19/27/42/865192742.db2.gz LFTMWGNPXGZESI-QGZVFWFLSA-N 1 3 377.529 3.885 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)N(C)C)cc1 ZINC000608656188 865562180 /nfs/dbraw/zinc/56/21/80/865562180.db2.gz PQUFNFGUNUOPNI-GOTSBHOMSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)N(C)C)cc1 ZINC000608656188 865562187 /nfs/dbraw/zinc/56/21/87/865562187.db2.gz PQUFNFGUNUOPNI-GOTSBHOMSA-N 1 3 394.563 3.514 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000248397286 865637092 /nfs/dbraw/zinc/63/70/92/865637092.db2.gz HUEWMWQXJXKQHY-NEWJYFPISA-N 1 3 395.591 3.668 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248397286 865637094 /nfs/dbraw/zinc/63/70/94/865637094.db2.gz HUEWMWQXJXKQHY-NEWJYFPISA-N 1 3 395.591 3.668 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248397286 865637099 /nfs/dbraw/zinc/63/70/99/865637099.db2.gz HUEWMWQXJXKQHY-NEWJYFPISA-N 1 3 395.591 3.668 20 0 GHADHO CC(C)N(C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000555231147 865750250 /nfs/dbraw/zinc/75/02/50/865750250.db2.gz VXGFSEMCYXANEB-ZJVRTDGDSA-N 1 3 377.960 3.710 20 0 GHADHO CC(C)N(C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555231147 865750258 /nfs/dbraw/zinc/75/02/58/865750258.db2.gz VXGFSEMCYXANEB-ZJVRTDGDSA-N 1 3 377.960 3.710 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCN(C)[C@H]3c3ccccc3)C2)CC1 ZINC000533987348 865925868 /nfs/dbraw/zinc/92/58/68/865925868.db2.gz YJTAJOXKKBWPJH-WWNPGLIZSA-N 1 3 398.595 3.585 20 0 GHADHO CC(C)N(C(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481189950 865973527 /nfs/dbraw/zinc/97/35/27/865973527.db2.gz KQRPHHKCSHXGRJ-NFBKMPQASA-N 1 3 379.548 3.928 20 0 GHADHO Cc1cc(NC(=O)c2cccc(CN3CCCCC3)c2)n(C2CC[NH+](C)CC2)n1 ZINC000665752881 866131084 /nfs/dbraw/zinc/13/10/84/866131084.db2.gz UXMUHAOVVYGWBI-UHFFFAOYSA-N 1 3 395.551 3.696 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000183127217 866245417 /nfs/dbraw/zinc/24/54/17/866245417.db2.gz NTMTVHDBEDZWLA-IQFVJIFQSA-N 1 3 380.532 3.619 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000183127217 866245434 /nfs/dbraw/zinc/24/54/34/866245434.db2.gz NTMTVHDBEDZWLA-IQFVJIFQSA-N 1 3 380.532 3.619 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314469 867153800 /nfs/dbraw/zinc/15/38/00/867153800.db2.gz MHSUJSQPJNONTC-PZJWPPBQSA-N 1 3 385.577 3.769 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314469 867153808 /nfs/dbraw/zinc/15/38/08/867153808.db2.gz MHSUJSQPJNONTC-PZJWPPBQSA-N 1 3 385.577 3.769 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479320662 867559169 /nfs/dbraw/zinc/55/91/69/867559169.db2.gz IOTBJNMSJREIAK-IBGZPJMESA-N 1 3 398.364 3.657 20 0 GHADHO O=C(C1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1)N1CCSCC1 ZINC000155962005 868199775 /nfs/dbraw/zinc/19/97/75/868199775.db2.gz XEWWZWMVLCDXHU-UHFFFAOYSA-N 1 3 393.641 3.507 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC000457390548 868217350 /nfs/dbraw/zinc/21/73/50/868217350.db2.gz OHLJNSBCXDYLKQ-SFHVURJKSA-N 1 3 392.613 3.620 20 0 GHADHO CN(C)C[C@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(F)cc1 ZINC000479759424 868482778 /nfs/dbraw/zinc/48/27/78/868482778.db2.gz NFMAKSZZRSTPDJ-VXKWHMMOSA-N 1 3 398.526 3.565 20 0 GHADHO FC(F)(F)c1cnc(OCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000181768695 869105323 /nfs/dbraw/zinc/10/53/23/869105323.db2.gz XWLCGEHSMCGCER-ZIAGYGMSSA-N 1 3 377.838 3.739 20 0 GHADHO FC(F)(F)c1cnc(OCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000181768695 869105330 /nfs/dbraw/zinc/10/53/30/869105330.db2.gz XWLCGEHSMCGCER-ZIAGYGMSSA-N 1 3 377.838 3.739 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000487519910 869338349 /nfs/dbraw/zinc/33/83/49/869338349.db2.gz RXNNPPHWJNUSMR-PGRDOPGGSA-N 1 3 380.536 3.780 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000487519910 869338355 /nfs/dbraw/zinc/33/83/55/869338355.db2.gz RXNNPPHWJNUSMR-PGRDOPGGSA-N 1 3 380.536 3.780 20 0 GHADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000524878511 869709197 /nfs/dbraw/zinc/70/91/97/869709197.db2.gz GRDBHOZRDYANBQ-PCCBWWKXSA-N 1 3 386.584 3.555 20 0 GHADHO CCN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000446575574 870029023 /nfs/dbraw/zinc/02/90/23/870029023.db2.gz KDFBKPKUDLLCDN-QFIPXVFZSA-N 1 3 394.563 3.919 20 0 GHADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043695 870290938 /nfs/dbraw/zinc/29/09/38/870290938.db2.gz DQJMHJZNKMSSEX-KNQAVFIVSA-N 1 3 386.584 3.657 20 0 GHADHO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000122082723 882393471 /nfs/dbraw/zinc/39/34/71/882393471.db2.gz QFIITOFRCMNMEL-QFIPXVFZSA-N 1 3 394.563 3.960 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccnc(N4CCCC4)c2)C3)cc1 ZINC000248417030 870395008 /nfs/dbraw/zinc/39/50/08/870395008.db2.gz JFKYGQAONFPQAC-WBDAEOGXSA-N 1 3 376.548 3.967 20 0 GHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248442163 870422813 /nfs/dbraw/zinc/42/28/13/870422813.db2.gz KQOKYUOKRUIDGR-GGAORHGYSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248442163 870422820 /nfs/dbraw/zinc/42/28/20/870422820.db2.gz KQOKYUOKRUIDGR-GGAORHGYSA-N 1 3 380.532 3.874 20 0 GHADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000446842755 870575494 /nfs/dbraw/zinc/57/54/94/870575494.db2.gz YCBKCDRBKCUQPL-UHFFFAOYSA-N 1 3 398.551 3.904 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000525392523 870601052 /nfs/dbraw/zinc/60/10/52/870601052.db2.gz NPQIFBGXYFHCKT-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000525392523 870601064 /nfs/dbraw/zinc/60/10/64/870601064.db2.gz NPQIFBGXYFHCKT-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO Cc1ncc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1-c1ccccc1 ZINC000538763376 870604600 /nfs/dbraw/zinc/60/46/00/870604600.db2.gz ADAAAYDUTIFPNR-PMACEKPBSA-N 1 3 396.579 3.892 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000540156088 870642628 /nfs/dbraw/zinc/64/26/28/870642628.db2.gz FOJJYNJSBTUVGQ-VQIMIIECSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000540156088 870642635 /nfs/dbraw/zinc/64/26/35/870642635.db2.gz FOJJYNJSBTUVGQ-VQIMIIECSA-N 1 3 393.453 3.979 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)N2CCCC2)o1 ZINC000060354892 882434439 /nfs/dbraw/zinc/43/44/39/882434439.db2.gz UFBLWTIFMUVSMQ-SFTDATJTSA-N 1 3 381.520 3.506 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)N2CCCC2)o1 ZINC000060354892 882434445 /nfs/dbraw/zinc/43/44/45/882434445.db2.gz UFBLWTIFMUVSMQ-SFTDATJTSA-N 1 3 381.520 3.506 20 0 GHADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463118166 870955200 /nfs/dbraw/zinc/95/52/00/870955200.db2.gz WUZPYUQFGKODID-NQIIRXRSSA-N 1 3 383.511 3.507 20 0 GHADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463118166 870955202 /nfs/dbraw/zinc/95/52/02/870955202.db2.gz WUZPYUQFGKODID-NQIIRXRSSA-N 1 3 383.511 3.507 20 0 GHADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463118167 870955325 /nfs/dbraw/zinc/95/53/25/870955325.db2.gz WUZPYUQFGKODID-RXVVDRJESA-N 1 3 383.511 3.507 20 0 GHADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463118167 870955332 /nfs/dbraw/zinc/95/53/32/870955332.db2.gz WUZPYUQFGKODID-RXVVDRJESA-N 1 3 383.511 3.507 20 0 GHADHO C[C@H]1C[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168872417 870955958 /nfs/dbraw/zinc/95/59/58/870955958.db2.gz MGYWDBRJKIFAEZ-FPOVZHCZSA-N 1 3 399.579 3.982 20 0 GHADHO CC1(C)CN(C(=O)C2CC[NH+](C3CC3)CC2)C(C)(C)CN1Cc1ccccc1 ZINC000857691769 882474323 /nfs/dbraw/zinc/47/43/23/882474323.db2.gz VTPACNHGBPUMNW-UHFFFAOYSA-N 1 3 383.580 3.762 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(Br)s2)[C@@H](C)C1 ZINC001193649366 871214864 /nfs/dbraw/zinc/21/48/64/871214864.db2.gz PDUZWRAWEUTEDR-DZGCQCFKSA-N 1 3 375.376 3.737 20 0 GHADHO CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC001193977469 871414614 /nfs/dbraw/zinc/41/46/14/871414614.db2.gz RKSKFVKEMYRDNT-OAQYLSRUSA-N 1 3 379.976 3.960 20 0 GHADHO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539148483 871431004 /nfs/dbraw/zinc/43/10/04/871431004.db2.gz OLWRBUXEKFWQMJ-ZACQAIPSSA-N 1 3 382.495 3.616 20 0 GHADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001169447236 871509056 /nfs/dbraw/zinc/50/90/56/871509056.db2.gz SKDPLSGGPRRMOG-KRWDZBQOSA-N 1 3 379.976 3.789 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000552034573 871659310 /nfs/dbraw/zinc/65/93/10/871659310.db2.gz GUSOGJWRXWUCAM-HIGZBPRKSA-N 1 3 382.548 3.711 20 0 GHADHO C[N@H+](CCc1cccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1)C1CC1 ZINC000539332400 871715285 /nfs/dbraw/zinc/71/52/85/871715285.db2.gz STIJMUYTWDWLEH-NRFANRHFSA-N 1 3 392.547 3.569 20 0 GHADHO C[N@@H+](CCc1cccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1)C1CC1 ZINC000539332400 871715291 /nfs/dbraw/zinc/71/52/91/871715291.db2.gz STIJMUYTWDWLEH-NRFANRHFSA-N 1 3 392.547 3.569 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCCOC(=O)Cc1ccccc1 ZINC001169666007 871735588 /nfs/dbraw/zinc/73/55/88/871735588.db2.gz HPNJMMJQNJFLQV-JOCHJYFZSA-N 1 3 380.532 3.663 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOC(=O)Cc1ccccc1 ZINC001169666007 871735603 /nfs/dbraw/zinc/73/56/03/871735603.db2.gz HPNJMMJQNJFLQV-JOCHJYFZSA-N 1 3 380.532 3.663 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000312141158 871821848 /nfs/dbraw/zinc/82/18/48/871821848.db2.gz FKJASUFWCUNMCW-IYWMVGAKSA-N 1 3 379.589 3.875 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccncc2)[C@@H]2CCC[C@@H]21 ZINC000552046261 871931675 /nfs/dbraw/zinc/93/16/75/871931675.db2.gz BGXLDXOYJNECMI-VABKMULXSA-N 1 3 387.531 3.897 20 0 GHADHO C[N@H+]1CC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccncc2)[C@@H]2CCC[C@@H]21 ZINC000552046261 871931686 /nfs/dbraw/zinc/93/16/86/871931686.db2.gz BGXLDXOYJNECMI-VABKMULXSA-N 1 3 387.531 3.897 20 0 GHADHO CN1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)[C@@H]2CCC[C@@H]21 ZINC000552046261 871931693 /nfs/dbraw/zinc/93/16/93/871931693.db2.gz BGXLDXOYJNECMI-VABKMULXSA-N 1 3 387.531 3.897 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000618942629 872184570 /nfs/dbraw/zinc/18/45/70/872184570.db2.gz MKNWOCAVYLBNEK-PMACEKPBSA-N 1 3 388.600 3.516 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)N1CCCCC1 ZINC000182431723 872329355 /nfs/dbraw/zinc/32/93/55/872329355.db2.gz OKBKMNDYZMIWEQ-QFIPXVFZSA-N 1 3 386.584 3.666 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000236814023 882622285 /nfs/dbraw/zinc/62/22/85/882622285.db2.gz DOJGFOYYFVWEPM-JOCHJYFZSA-N 1 3 392.591 3.835 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000527066409 872548552 /nfs/dbraw/zinc/54/85/52/872548552.db2.gz NQBBUILPMZUJSZ-GMKZXUHWSA-N 1 3 394.563 3.607 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000527869170 873697297 /nfs/dbraw/zinc/69/72/97/873697297.db2.gz OATFEHZSCWBJFS-FQEVSTJZSA-N 1 3 389.902 3.548 20 0 GHADHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882232 882762162 /nfs/dbraw/zinc/76/21/62/882762162.db2.gz IYOSEKLAYQQXII-DHIUTWEWSA-N 1 3 392.543 3.509 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H](CN[C@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882232 882762172 /nfs/dbraw/zinc/76/21/72/882762172.db2.gz IYOSEKLAYQQXII-DHIUTWEWSA-N 1 3 392.543 3.509 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H](CN[C@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882232 882762185 /nfs/dbraw/zinc/76/21/85/882762185.db2.gz IYOSEKLAYQQXII-DHIUTWEWSA-N 1 3 392.543 3.509 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)ccc1OC ZINC000528014885 873886135 /nfs/dbraw/zinc/88/61/35/873886135.db2.gz IMLSUFQTPGIUHO-GOSISDBHSA-N 1 3 389.584 3.836 20 0 GHADHO COc1cc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc(OC)c1O ZINC000494678060 882792511 /nfs/dbraw/zinc/79/25/11/882792511.db2.gz CJIQEGNLBDULMW-UHFFFAOYSA-N 1 3 384.520 3.931 20 0 GHADHO CC[NH+](CC)CCOC1CCN(Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449037377 874379542 /nfs/dbraw/zinc/37/95/42/874379542.db2.gz MSROTRFRAAKTGV-UHFFFAOYSA-N 1 3 388.531 3.549 20 0 GHADHO C[NH+](C)CCCOc1ccc(CNCc2ccc3c(c2)OCCCCO3)cc1 ZINC000449121899 874506434 /nfs/dbraw/zinc/50/64/34/874506434.db2.gz JIELYKUFTUUFDP-UHFFFAOYSA-N 1 3 384.520 3.858 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000449142575 874529078 /nfs/dbraw/zinc/52/90/78/874529078.db2.gz OQTIYHKWLJGMFT-CVDCTZTESA-N 1 3 391.559 3.757 20 0 GHADHO COc1ccc2c(c1)OC[C@H](NC1CC[NH+]([C@@H](C)Cc3ccccc3)CC1)C2 ZINC000449204979 874584432 /nfs/dbraw/zinc/58/44/32/874584432.db2.gz NFDCVXQNKVDFNG-PGRDOPGGSA-N 1 3 380.532 3.684 20 0 GHADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508879664 874665137 /nfs/dbraw/zinc/66/51/37/874665137.db2.gz JWVSMSKYDOMNJB-PMOQBDJRSA-N 1 3 394.563 3.594 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486938 882883106 /nfs/dbraw/zinc/88/31/06/882883106.db2.gz RCPLRTCJRHUIRJ-REWPJTCUSA-N 1 3 389.559 3.617 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001129486938 882883124 /nfs/dbraw/zinc/88/31/24/882883124.db2.gz RCPLRTCJRHUIRJ-REWPJTCUSA-N 1 3 389.559 3.617 20 0 GHADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000542136233 875007424 /nfs/dbraw/zinc/00/74/24/875007424.db2.gz ZXXJTHPFAWHEKS-PMACEKPBSA-N 1 3 379.548 3.794 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCO[C@@H](c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000449615300 875155652 /nfs/dbraw/zinc/15/56/52/875155652.db2.gz KVTGMCDZVFVWMV-YWCCWUOUSA-N 1 3 377.532 3.802 20 0 GHADHO CC[N@H+](CCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1)CC1CC1 ZINC000771475244 875277319 /nfs/dbraw/zinc/27/73/19/875277319.db2.gz HKJCMRXYWMBYTN-QFIPXVFZSA-N 1 3 385.552 3.846 20 0 GHADHO CC[N@@H+](CCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1)CC1CC1 ZINC000771475244 875277331 /nfs/dbraw/zinc/27/73/31/875277331.db2.gz HKJCMRXYWMBYTN-QFIPXVFZSA-N 1 3 385.552 3.846 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccsc1 ZINC000542421709 875546494 /nfs/dbraw/zinc/54/64/94/875546494.db2.gz OSWQJSXLPRDSAQ-HKUYNNGSSA-N 1 3 380.602 3.695 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccsc1 ZINC000542421716 875546865 /nfs/dbraw/zinc/54/68/65/875546865.db2.gz OSWQJSXLPRDSAQ-MJGOQNOKSA-N 1 3 380.602 3.695 20 0 GHADHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451329 875596923 /nfs/dbraw/zinc/59/69/23/875596923.db2.gz SVPIVDUSGHZLTO-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000465423829 882998624 /nfs/dbraw/zinc/99/86/24/882998624.db2.gz SEFZTCALTSNHTF-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO CC(C)Oc1ccc2nccc(N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)c2c1 ZINC000450443248 876435623 /nfs/dbraw/zinc/43/56/23/876435623.db2.gz UXPYWVHXAYOLMJ-UHFFFAOYSA-N 1 3 396.579 3.876 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](c3ccccc3)C(C)C)cc2)CC1 ZINC000007255793 876662271 /nfs/dbraw/zinc/66/22/71/876662271.db2.gz SAEMPOSUQUNGTO-XMMPIXPASA-N 1 3 394.563 3.754 20 0 GHADHO C[C@H](c1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450644682 876704120 /nfs/dbraw/zinc/70/41/20/876704120.db2.gz BVEZCSHILAQIOQ-IAGOWNOFSA-N 1 3 383.502 3.953 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3sc(Br)cc32)C[C@@H](C)O1 ZINC000551014299 883065486 /nfs/dbraw/zinc/06/54/86/883065486.db2.gz RSDVXNCOAJJQIH-UMVBOHGHSA-N 1 3 387.387 3.977 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)N(C)C)cc1 ZINC000455894385 877352359 /nfs/dbraw/zinc/35/23/59/877352359.db2.gz CWSHAEZWNUMOEI-FCHUYYIVSA-N 1 3 380.536 3.968 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000615626517 877953513 /nfs/dbraw/zinc/95/35/13/877953513.db2.gz SDXONFZBCSPNSG-UHFFFAOYSA-N 1 3 392.563 3.554 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cn1nccc1-c1cccnc1 ZINC000179915245 878211560 /nfs/dbraw/zinc/21/15/60/878211560.db2.gz ZRUMTRQIGZZCRM-UHFFFAOYSA-N 1 3 376.508 3.536 20 0 GHADHO CN1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000245627653 878238000 /nfs/dbraw/zinc/23/80/00/878238000.db2.gz GYKUUBPMPNRVKE-DHIUTWEWSA-N 1 3 392.547 3.527 20 0 GHADHO COCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245664419 878319022 /nfs/dbraw/zinc/31/90/22/878319022.db2.gz GJXFPHGPSQVNIE-WBDAEOGXSA-N 1 3 380.532 3.997 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ccc3c(c2)OCC(=O)N3)cc1 ZINC000285570510 912344913 /nfs/dbraw/zinc/34/49/13/912344913.db2.gz HXGBFPPZDPNYQO-QGZVFWFLSA-N 1 3 397.519 3.589 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1)CC(C)C ZINC000537995019 878680077 /nfs/dbraw/zinc/68/00/77/878680077.db2.gz JYMQEILMXUUWIF-UHFFFAOYSA-N 1 3 384.568 3.583 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1)CC(C)C ZINC000537995019 878680086 /nfs/dbraw/zinc/68/00/86/878680086.db2.gz JYMQEILMXUUWIF-UHFFFAOYSA-N 1 3 384.568 3.583 20 0 GHADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000178604451 879157400 /nfs/dbraw/zinc/15/74/00/879157400.db2.gz DXBNGSZNZHFCFV-KRWDZBQOSA-N 1 3 380.374 3.880 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C[C@H](C)O1 ZINC000531178262 879299953 /nfs/dbraw/zinc/29/99/53/879299953.db2.gz ALIXVSSBFNSCJS-PMACEKPBSA-N 1 3 382.552 3.584 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000246494369 879619301 /nfs/dbraw/zinc/61/93/01/879619301.db2.gz SFDUFBNYFAGLAR-SLFFLAALSA-N 1 3 398.469 3.930 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CCN1Cc1ccccc1 ZINC000494027654 879838388 /nfs/dbraw/zinc/83/83/88/879838388.db2.gz NNIVYYUZQVFALT-XXBNENTESA-N 1 3 377.532 3.675 20 0 GHADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140149 879838775 /nfs/dbraw/zinc/83/87/75/879838775.db2.gz XSBVHFDJMGIHRX-HFGNEKBZSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140149 879838790 /nfs/dbraw/zinc/83/87/90/879838790.db2.gz XSBVHFDJMGIHRX-HFGNEKBZSA-N 1 3 383.580 3.821 20 0 GHADHO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000285989058 912527339 /nfs/dbraw/zinc/52/73/39/912527339.db2.gz IAEWBJLXSSYPCX-KMDXXIMOSA-N 1 3 383.580 3.525 20 0 GHADHO CC1(C)CN(C[C@H](O)CC(F)(F)F)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453005037 880318980 /nfs/dbraw/zinc/31/89/80/880318980.db2.gz ATXCFZTVSGTROS-RTBURBONSA-N 1 3 384.486 3.922 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197630 880603286 /nfs/dbraw/zinc/60/32/86/880603286.db2.gz NZPCFBIROWEZIO-GCJKJVERSA-N 1 3 390.531 3.505 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197630 880603292 /nfs/dbraw/zinc/60/32/92/880603292.db2.gz NZPCFBIROWEZIO-GCJKJVERSA-N 1 3 390.531 3.505 20 0 GHADHO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000132336235 881094428 /nfs/dbraw/zinc/09/44/28/881094428.db2.gz SSGWYJDVWVZKDI-OAQYLSRUSA-N 1 3 389.559 3.618 20 0 GHADHO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000537622333 881098290 /nfs/dbraw/zinc/09/82/90/881098290.db2.gz WNFMEUNLIUAUFF-GBXCKJPGSA-N 1 3 393.575 3.820 20 0 GHADHO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000537622333 881098310 /nfs/dbraw/zinc/09/83/10/881098310.db2.gz WNFMEUNLIUAUFF-GBXCKJPGSA-N 1 3 393.575 3.820 20 0 GHADHO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000537622334 881098404 /nfs/dbraw/zinc/09/84/04/881098404.db2.gz WNFMEUNLIUAUFF-HYBUGGRVSA-N 1 3 393.575 3.820 20 0 GHADHO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000537622334 881098418 /nfs/dbraw/zinc/09/84/18/881098418.db2.gz WNFMEUNLIUAUFF-HYBUGGRVSA-N 1 3 393.575 3.820 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@H](C)C1 ZINC000187243662 881119836 /nfs/dbraw/zinc/11/98/36/881119836.db2.gz QPUGPRFJFBCRBU-XXBNENTESA-N 1 3 397.563 3.984 20 0 GHADHO Cc1c(Cl)cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000119993901 881248132 /nfs/dbraw/zinc/24/81/32/881248132.db2.gz NSKSPRFVZWNDPW-UHFFFAOYSA-N 1 3 399.366 3.982 20 0 GHADHO COc1ccc([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000173393970 883396360 /nfs/dbraw/zinc/39/63/60/883396360.db2.gz SPJUQYPVCIKDBW-KRWDZBQOSA-N 1 3 384.520 3.511 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000476991015 883527480 /nfs/dbraw/zinc/52/74/80/883527480.db2.gz YCWKJSZKIXTCNS-QUCCMNQESA-N 1 3 378.532 3.542 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000476991015 883527492 /nfs/dbraw/zinc/52/74/92/883527492.db2.gz YCWKJSZKIXTCNS-QUCCMNQESA-N 1 3 378.532 3.542 20 0 GHADHO COc1cc(C)c(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC ZINC000551268830 883578688 /nfs/dbraw/zinc/57/86/88/883578688.db2.gz CJAXZCNIEZSHOO-UHFFFAOYSA-N 1 3 384.520 3.775 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000494810425 883876049 /nfs/dbraw/zinc/87/60/49/883876049.db2.gz OBIRJIJPOMVKKX-NXWNEQKCSA-N 1 3 378.532 3.772 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000494810426 883876263 /nfs/dbraw/zinc/87/62/63/883876263.db2.gz OBIRJIJPOMVKKX-VQQMMKBISA-N 1 3 378.532 3.772 20 0 GHADHO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc4nc(Cl)ccc4[nH]3)cc2)CC1 ZINC001170486387 883984856 /nfs/dbraw/zinc/98/48/56/883984856.db2.gz HYAVHELDBZCWEI-WLYUNCDWSA-N 1 3 397.910 3.588 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000556218185 884169130 /nfs/dbraw/zinc/16/91/30/884169130.db2.gz QMYZAMZTHFEJSK-YKSBVNFPSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000556218185 884169138 /nfs/dbraw/zinc/16/91/38/884169138.db2.gz QMYZAMZTHFEJSK-YKSBVNFPSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465459695 884236371 /nfs/dbraw/zinc/23/63/71/884236371.db2.gz PYURVKVZXZXRBJ-OFNKIYASSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000465459695 884236388 /nfs/dbraw/zinc/23/63/88/884236388.db2.gz PYURVKVZXZXRBJ-OFNKIYASSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000495057443 884460408 /nfs/dbraw/zinc/46/04/08/884460408.db2.gz FQQPOYYDYRVXTK-LJQANCHMSA-N 1 3 395.547 3.714 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000498603209 884974879 /nfs/dbraw/zinc/97/48/79/884974879.db2.gz CNYORYCUEQJBQI-UHFFFAOYSA-N 1 3 378.605 3.691 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccco1 ZINC000806931910 885097435 /nfs/dbraw/zinc/09/74/35/885097435.db2.gz SPGSAPQNSBLKOL-OAHAVBBTSA-N 1 3 390.572 3.805 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C3CCCC3)C3CCCC3)CC2)CC1 ZINC000117965063 885230437 /nfs/dbraw/zinc/23/04/37/885230437.db2.gz XYUOWJDEHZITHK-UHFFFAOYSA-N 1 3 390.616 3.593 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000303130350 885462540 /nfs/dbraw/zinc/46/25/40/885462540.db2.gz KFPKJKJLCQBDQG-SJBKTWHCSA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000303130350 885462548 /nfs/dbraw/zinc/46/25/48/885462548.db2.gz KFPKJKJLCQBDQG-SJBKTWHCSA-N 1 3 386.584 3.552 20 0 GHADHO CCN(CC)[C@H](CNC(=O)CC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000236874640 886892525 /nfs/dbraw/zinc/89/25/25/886892525.db2.gz CDZXJMLJMQGNPO-GOSISDBHSA-N 1 3 385.474 3.594 20 0 GHADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237080090 886908616 /nfs/dbraw/zinc/90/86/16/886908616.db2.gz XYIFDMAQYBOXJV-BHYGNILZSA-N 1 3 385.474 3.578 20 0 GHADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237080090 886908626 /nfs/dbraw/zinc/90/86/26/886908626.db2.gz XYIFDMAQYBOXJV-BHYGNILZSA-N 1 3 385.474 3.578 20 0 GHADHO Cc1ccccc1[C@H](O)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000809703716 887720862 /nfs/dbraw/zinc/72/08/62/887720862.db2.gz TXPOHWZANOSBLB-XMMPIXPASA-N 1 3 382.548 3.881 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1CCCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001184405843 913193858 /nfs/dbraw/zinc/19/38/58/913193858.db2.gz MLQPIGZCZIUKFJ-WLRLJWMZSA-N 1 3 389.971 3.684 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1CCCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001184405843 913193869 /nfs/dbraw/zinc/19/38/69/913193869.db2.gz MLQPIGZCZIUKFJ-WLRLJWMZSA-N 1 3 389.971 3.684 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000809895246 887961370 /nfs/dbraw/zinc/96/13/70/887961370.db2.gz RXIVVWZYWYWBAM-XMMPIXPASA-N 1 3 392.547 3.508 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H](c3cccs3)C3CC3)cc2)CC1 ZINC000809931618 887983427 /nfs/dbraw/zinc/98/34/27/887983427.db2.gz JFKFQYPQSJCNRI-QFIPXVFZSA-N 1 3 398.576 3.569 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810179234 888264767 /nfs/dbraw/zinc/26/47/67/888264767.db2.gz KQQALVRZHCLEIF-LJQANCHMSA-N 1 3 395.547 3.995 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1CN1CCCCC1 ZINC000794833025 888282590 /nfs/dbraw/zinc/28/25/90/888282590.db2.gz JSSPGAVXEADMGM-QUCCMNQESA-N 1 3 387.568 3.590 20 0 GHADHO CC(=O)NCC1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000865457307 888364470 /nfs/dbraw/zinc/36/44/70/888364470.db2.gz TVVCASZORCHCJN-UHFFFAOYSA-N 1 3 391.987 3.837 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000454326773 888855577 /nfs/dbraw/zinc/85/55/77/888855577.db2.gz SLLCPAZVIFFLML-LJQANCHMSA-N 1 3 380.536 3.734 20 0 GHADHO c1nnc([C@@H](NCCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)[nH]1 ZINC000866469090 888896069 /nfs/dbraw/zinc/89/60/69/888896069.db2.gz FWWWTISFCRQZNT-QFIPXVFZSA-N 1 3 375.520 3.786 20 0 GHADHO CCC1(CNC(=O)N(CCN(C)C)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000532838591 889056954 /nfs/dbraw/zinc/05/69/54/889056954.db2.gz OVPDKZPAHYNFNM-UHFFFAOYSA-N 1 3 388.600 3.660 20 0 GHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(CN(C)C)c1 ZINC000075537013 891309045 /nfs/dbraw/zinc/30/90/45/891309045.db2.gz AHUJNRJALXARQK-JOCHJYFZSA-N 1 3 379.548 3.732 20 0 GHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(CN(C)C)c1 ZINC000075537013 891309063 /nfs/dbraw/zinc/30/90/63/891309063.db2.gz AHUJNRJALXARQK-JOCHJYFZSA-N 1 3 379.548 3.732 20 0 GHADHO CCOc1ccc(C2(C[NH2+]Cc3cc4c(s3)CCNC4)CCOCC2)cc1 ZINC000873212526 891525406 /nfs/dbraw/zinc/52/54/06/891525406.db2.gz NKWPQLGNFAMUSW-UHFFFAOYSA-N 1 3 386.561 3.631 20 0 GHADHO CCC(CC)(CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)[NH2+][C@@H](C)c1ccccc1 ZINC000497685507 892192411 /nfs/dbraw/zinc/19/24/11/892192411.db2.gz FNPOEYPNPUAKDZ-SESVDKBCSA-N 1 3 386.584 3.632 20 0 GHADHO Cc1sccc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000508742875 893119374 /nfs/dbraw/zinc/11/93/74/893119374.db2.gz HPOVTXXJBCRADY-UHFFFAOYSA-N 1 3 385.577 3.517 20 0 GHADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000562980100 893242280 /nfs/dbraw/zinc/24/22/80/893242280.db2.gz NFYNZHOANDWNKX-FQEVSTJZSA-N 1 3 389.421 3.683 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)CC1 ZINC000760286514 893340058 /nfs/dbraw/zinc/34/00/58/893340058.db2.gz SNZUBAMWFKDDJX-UHFFFAOYSA-N 1 3 384.593 3.819 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000877031479 893447707 /nfs/dbraw/zinc/44/77/07/893447707.db2.gz WFHCDCKNOLPTCM-WSTZPKSXSA-N 1 3 398.938 3.576 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000877031479 893447711 /nfs/dbraw/zinc/44/77/11/893447711.db2.gz WFHCDCKNOLPTCM-WSTZPKSXSA-N 1 3 398.938 3.576 20 0 GHADHO Cc1nnc(CN2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000459524217 893727053 /nfs/dbraw/zinc/72/70/53/893727053.db2.gz BCCUHOQSMNKOJA-JOCHJYFZSA-N 1 3 381.568 3.780 20 0 GHADHO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459530355 893741560 /nfs/dbraw/zinc/74/15/60/893741560.db2.gz PKYLIHUZHPXTHL-IFMALSPDSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C[N@@H+]1Cc1ccccc1 ZINC000563504827 893839570 /nfs/dbraw/zinc/83/95/70/893839570.db2.gz RSAWSAJWTJSHPT-PKOBYXMFSA-N 1 3 378.520 3.712 20 0 GHADHO C[C@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C[N@H+]1Cc1ccccc1 ZINC000563504827 893839584 /nfs/dbraw/zinc/83/95/84/893839584.db2.gz RSAWSAJWTJSHPT-PKOBYXMFSA-N 1 3 378.520 3.712 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000826016354 894031379 /nfs/dbraw/zinc/03/13/79/894031379.db2.gz MABSGAMWKVGZKY-LJQANCHMSA-N 1 3 388.943 3.592 20 0 GHADHO Cc1cc(F)ccc1[C@H](C)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000815593721 894032053 /nfs/dbraw/zinc/03/20/53/894032053.db2.gz VFNXNVKYGKMZOK-SFHVURJKSA-N 1 3 383.511 3.811 20 0 GHADHO N[C@H](CC(F)F)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000645334601 913834762 /nfs/dbraw/zinc/83/47/62/913834762.db2.gz IWEXVBBFULVNLB-HXUWFJFHSA-N 1 3 387.474 3.548 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCC[C@@H](c4ccccc4)O3)CC2)CC1 ZINC000878427485 894281183 /nfs/dbraw/zinc/28/11/83/894281183.db2.gz MCOQHEYVOGRRHG-PKTZIBPZSA-N 1 3 385.596 3.646 20 0 GHADHO Brc1cscc1CN1CCC(CCCN2CCOCC2)CC1 ZINC000565744666 895847131 /nfs/dbraw/zinc/84/71/31/895847131.db2.gz XZEBTCWAFNKPFE-UHFFFAOYSA-N 1 3 387.387 3.835 20 0 GHADHO Brc1cscc1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000565744666 895847140 /nfs/dbraw/zinc/84/71/40/895847140.db2.gz XZEBTCWAFNKPFE-UHFFFAOYSA-N 1 3 387.387 3.835 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc(Cl)nc1)CC2 ZINC001137165612 896320937 /nfs/dbraw/zinc/32/09/37/896320937.db2.gz QLTXYDBWGRCGNN-HXUWFJFHSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc(Cl)nc1)CC2 ZINC001137165612 896320950 /nfs/dbraw/zinc/32/09/50/896320950.db2.gz QLTXYDBWGRCGNN-HXUWFJFHSA-N 1 3 385.939 3.991 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818968703 896327778 /nfs/dbraw/zinc/32/77/78/896327778.db2.gz FOMLEQVLWHYITH-GOSISDBHSA-N 1 3 387.337 3.648 20 0 GHADHO CCSc1ccc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000881487273 896356049 /nfs/dbraw/zinc/35/60/49/896356049.db2.gz BJMSMAIRZUAPGC-UHFFFAOYSA-N 1 3 389.609 3.611 20 0 GHADHO CN(c1ccccc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000566535102 896359585 /nfs/dbraw/zinc/35/95/85/896359585.db2.gz SLYRZJUWNYCEQU-XZOQPEGZSA-N 1 3 383.580 3.751 20 0 GHADHO C[NH+](C)CC[C@@H](NC[C@H](O)c1ccc(F)c(Br)c1)C(C)(C)C ZINC000819080750 896364755 /nfs/dbraw/zinc/36/47/55/896364755.db2.gz IDMHQLZGMFPLSP-JKSUJKDBSA-N 1 3 375.326 3.578 20 0 GHADHO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778554432 896572624 /nfs/dbraw/zinc/57/26/24/896572624.db2.gz YEVQXJWOLUIVCZ-TUACAJSNSA-N 1 3 391.559 3.678 20 0 GHADHO COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000819321431 896611564 /nfs/dbraw/zinc/61/15/64/896611564.db2.gz HKQRZFNTEYEEIC-OFNKIYASSA-N 1 3 398.547 3.629 20 0 GHADHO Brc1ccc(-c2cnc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000567504975 897208701 /nfs/dbraw/zinc/20/87/01/897208701.db2.gz IDAVQTJFZHKVHM-HZPDHXFCSA-N 1 3 390.325 3.926 20 0 GHADHO C[C@@H]1C[N@@H+](CCCCNCc2c(F)cccc2OC(F)(F)F)C[C@H](C)O1 ZINC000568125482 897615594 /nfs/dbraw/zinc/61/55/94/897615594.db2.gz CEOPRXDMFAKHKU-OKILXGFUSA-N 1 3 378.410 3.703 20 0 GHADHO C[C@@H]1C[N@H+](CCCCNCc2c(F)cccc2OC(F)(F)F)C[C@H](C)O1 ZINC000568125482 897615596 /nfs/dbraw/zinc/61/55/96/897615596.db2.gz CEOPRXDMFAKHKU-OKILXGFUSA-N 1 3 378.410 3.703 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H](c2cccs2)C2CC2)CC1 ZINC000569036569 898291207 /nfs/dbraw/zinc/29/12/07/898291207.db2.gz JDFSMFFDBYALNL-HSZRJFAPSA-N 1 3 397.588 3.878 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(SC)cc3)CC2)CC1 ZINC000569504426 898722002 /nfs/dbraw/zinc/72/20/02/898722002.db2.gz WDIKXFAYWGTGHX-QGZVFWFLSA-N 1 3 389.609 3.782 20 0 GHADHO Fc1c(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)ccnc1Cl ZINC000824065737 899378682 /nfs/dbraw/zinc/37/86/82/899378682.db2.gz DEWGETIDZOYLAY-UHFFFAOYSA-N 1 3 377.891 3.681 20 0 GHADHO COc1ccc(-n2c(CN3CCC4(C3)CC[NH2+]CC4)nc3ccccc32)cc1 ZINC000844222736 900588772 /nfs/dbraw/zinc/58/87/72/900588772.db2.gz KLXIQTMFMMHEEU-UHFFFAOYSA-N 1 3 376.504 3.610 20 0 GHADHO CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000573813317 900643539 /nfs/dbraw/zinc/64/35/39/900643539.db2.gz NZRDTFYSXYZKCB-IEBWSBKVSA-N 1 3 385.552 3.851 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844505614 900951809 /nfs/dbraw/zinc/95/18/09/900951809.db2.gz CPSARZIFHXEOLP-KLICCBINSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844505614 900951817 /nfs/dbraw/zinc/95/18/17/900951817.db2.gz CPSARZIFHXEOLP-KLICCBINSA-N 1 3 396.453 3.877 20 0 GHADHO CSCC[C@@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1nnc2ccccn21 ZINC000886495250 901075725 /nfs/dbraw/zinc/07/57/25/901075725.db2.gz OWYZJEAEHGHLHL-IDYZSHNDSA-N 1 3 387.597 3.910 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)N(C)C)cc1 ZINC000575991295 901559168 /nfs/dbraw/zinc/55/91/68/901559168.db2.gz PNYULRVJVOSKOE-HSZRJFAPSA-N 1 3 379.548 3.570 20 0 GHADHO CC(C)c1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576512397 902069604 /nfs/dbraw/zinc/06/96/04/902069604.db2.gz TZRFWTUSEXBFOE-FCHUYYIVSA-N 1 3 382.548 3.661 20 0 GHADHO CC(C)c1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576512397 902069610 /nfs/dbraw/zinc/06/96/10/902069610.db2.gz TZRFWTUSEXBFOE-FCHUYYIVSA-N 1 3 382.548 3.661 20 0 GHADHO Cc1cc(C)c(CC(C(=O)Nc2ccnn2CC[NH+](C)C)C(F)(F)F)c(C)c1 ZINC000577137043 902531188 /nfs/dbraw/zinc/53/11/88/902531188.db2.gz KXSQNRZZWPVZKL-KRWDZBQOSA-N 1 3 396.457 3.730 20 0 GHADHO CC(C)(C)OC(=O)NCCC1CC([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000845930294 902538936 /nfs/dbraw/zinc/53/89/36/902538936.db2.gz RYXCRHDBBCTJSR-UHFFFAOYSA-N 1 3 379.589 3.924 20 0 GHADHO CN1CCC(N(Cc2ccco2)C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000263891181 902651407 /nfs/dbraw/zinc/65/14/07/902651407.db2.gz NJTCZUGPOXQWEU-UHFFFAOYSA-N 1 3 395.547 3.615 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252444 903214083 /nfs/dbraw/zinc/21/40/83/903214083.db2.gz XBBMOCJZGUNADW-NWIMNNEWSA-N 1 3 391.559 3.919 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252444 903214096 /nfs/dbraw/zinc/21/40/96/903214096.db2.gz XBBMOCJZGUNADW-NWIMNNEWSA-N 1 3 391.559 3.919 20 0 GHADHO C[C@@H](C[NH3+])CN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252444 903214105 /nfs/dbraw/zinc/21/41/05/903214105.db2.gz XBBMOCJZGUNADW-NWIMNNEWSA-N 1 3 391.559 3.919 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC(F)F)cc3F)CC2)CC1 ZINC000578246533 903650161 /nfs/dbraw/zinc/65/01/61/903650161.db2.gz UZFFJLLJJFPLMY-UHFFFAOYSA-N 1 3 399.457 3.562 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CNC4)cc2)C1 ZINC000578978157 904273273 /nfs/dbraw/zinc/27/32/73/904273273.db2.gz LIZQYPMWLXHMQC-KRWDZBQOSA-N 1 3 378.520 3.843 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CNC4)cc2)C1 ZINC000578978157 904273283 /nfs/dbraw/zinc/27/32/83/904273283.db2.gz LIZQYPMWLXHMQC-KRWDZBQOSA-N 1 3 378.520 3.843 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)C[C@H]3c3ccccc3)CC2)CC1 ZINC000579248987 904454641 /nfs/dbraw/zinc/45/46/41/904454641.db2.gz XMTKCMABHZBINW-CVDCTZTESA-N 1 3 383.580 3.792 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccccc2Cl)CC1 ZINC000579465374 904629446 /nfs/dbraw/zinc/62/94/46/904629446.db2.gz VWBDFPADQAIVKU-YLJYHZDGSA-N 1 3 388.939 3.895 20 0 GHADHO CN1C(C)(C)CC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)CC1(C)C ZINC001171621531 904887086 /nfs/dbraw/zinc/88/70/86/904887086.db2.gz LVTCVVCJNMMPJG-RDJZCZTQSA-N 1 3 385.568 3.823 20 0 GHADHO COCC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641681 904932358 /nfs/dbraw/zinc/93/23/58/904932358.db2.gz SYRXHONMJFTTLE-KRWDZBQOSA-N 1 3 397.604 3.596 20 0 GHADHO COCC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641681 904932361 /nfs/dbraw/zinc/93/23/61/904932361.db2.gz SYRXHONMJFTTLE-KRWDZBQOSA-N 1 3 397.604 3.596 20 0 GHADHO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001171935797 905191761 /nfs/dbraw/zinc/19/17/61/905191761.db2.gz LFBDHLBGOVGKBF-IXNMUYKUSA-N 1 3 384.564 3.999 20 0 GHADHO CC1(C)C[C@@H](N2CC[C@]3(CCN3c3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171981888 905236696 /nfs/dbraw/zinc/23/66/96/905236696.db2.gz QVWVFFNEJWLAGM-URXFXBBRSA-N 1 3 391.563 3.574 20 0 GHADHO CC1(C)C[C@@H](N2CC[C@]3(CCN3c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981888 905236713 /nfs/dbraw/zinc/23/67/13/905236713.db2.gz QVWVFFNEJWLAGM-URXFXBBRSA-N 1 3 391.563 3.574 20 0 GHADHO COc1cccc(C[C@H](CO)N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984609 905240602 /nfs/dbraw/zinc/24/06/02/905240602.db2.gz WKMGNUZKUGFLLG-FGZHOGPDSA-N 1 3 382.548 3.631 20 0 GHADHO COc1cccc(C[C@H](CO)N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984609 905240613 /nfs/dbraw/zinc/24/06/13/905240613.db2.gz WKMGNUZKUGFLLG-FGZHOGPDSA-N 1 3 382.548 3.631 20 0 GHADHO COCCC[NH+]1CCC(N[C@H](CC2CCOCC2)c2ccc(F)cc2)CC1 ZINC001172248605 905446042 /nfs/dbraw/zinc/44/60/42/905446042.db2.gz CGOGVPHUWUWTKF-JOCHJYFZSA-N 1 3 378.532 3.774 20 0 GHADHO COCCC[NH+]1CCC(N[C@H]2CSc3ccc(Br)cc3C2)CC1 ZINC001172249809 905448237 /nfs/dbraw/zinc/44/82/37/905448237.db2.gz PRZDJSMRKUXEGM-QGZVFWFLSA-N 1 3 399.398 3.556 20 0 GHADHO C[C@H](CCc1c(F)cc(Cl)cc1F)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001172574260 905634077 /nfs/dbraw/zinc/63/40/77/905634077.db2.gz OGQMLCBIQAPPME-VOBQZIQPSA-N 1 3 385.930 3.650 20 0 GHADHO C[C@H](CCc1c(F)cc(Cl)cc1F)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001172574260 905634083 /nfs/dbraw/zinc/63/40/83/905634083.db2.gz OGQMLCBIQAPPME-VOBQZIQPSA-N 1 3 385.930 3.650 20 0 GHADHO CCN(C)C1CC[NH+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172536145 905639572 /nfs/dbraw/zinc/63/95/72/905639572.db2.gz LZDJDFXHTJDRJR-QNWVGRARSA-N 1 3 383.580 3.734 20 0 GHADHO CC[N@H+](C)C1CCN([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172536145 905639579 /nfs/dbraw/zinc/63/95/79/905639579.db2.gz LZDJDFXHTJDRJR-QNWVGRARSA-N 1 3 383.580 3.734 20 0 GHADHO CC[N@@H+](C)C1CCN([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172536145 905639586 /nfs/dbraw/zinc/63/95/86/905639586.db2.gz LZDJDFXHTJDRJR-QNWVGRARSA-N 1 3 383.580 3.734 20 0 GHADHO Cc1cccc([C@@H]2CCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000176381563 905832909 /nfs/dbraw/zinc/83/29/09/905832909.db2.gz XTIYKGHSJWSUHM-QHCPKHFHSA-N 1 3 398.595 3.709 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C1CCC3(CCCCC3)CC1)CC2 ZINC001173117049 906205756 /nfs/dbraw/zinc/20/57/56/906205756.db2.gz XLZNTIMASMEVTG-UHFFFAOYSA-N 1 3 385.596 3.704 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C1CCC3(CCCCC3)CC1)CC2 ZINC001173117049 906205762 /nfs/dbraw/zinc/20/57/62/906205762.db2.gz XLZNTIMASMEVTG-UHFFFAOYSA-N 1 3 385.596 3.704 20 0 GHADHO CN(C)Cc1cccc(NC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000180881243 906871104 /nfs/dbraw/zinc/87/11/04/906871104.db2.gz KSKMNFFCJDTOJL-UHFFFAOYSA-N 1 3 395.551 3.923 20 0 GHADHO Cc1cc(CNC2CC[NH+](C3CC3)CC2)c(C)cc1I ZINC001177162273 908441043 /nfs/dbraw/zinc/44/10/43/908441043.db2.gz KBOJODDPOKFPKI-UHFFFAOYSA-N 1 3 384.305 3.624 20 0 GHADHO CCc1nc2ccccc2n1C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192784042 908824518 /nfs/dbraw/zinc/82/45/18/908824518.db2.gz BUJWIQAHJCHVAU-UHFFFAOYSA-N 1 3 397.611 3.652 20 0 GHADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178591235 909113638 /nfs/dbraw/zinc/11/36/38/909113638.db2.gz PGHLZBXSQHHRNN-HSZRJFAPSA-N 1 3 391.559 3.649 20 0 GHADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178591235 909113654 /nfs/dbraw/zinc/11/36/54/909113654.db2.gz PGHLZBXSQHHRNN-HSZRJFAPSA-N 1 3 391.559 3.649 20 0 GHADHO COCC[C@@H](CN1CCC(C[NH+]2CCCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001180125053 909972656 /nfs/dbraw/zinc/97/26/56/909972656.db2.gz PSCYVLCBJWVXSN-FQEVSTJZSA-N 1 3 397.604 3.504 20 0 GHADHO Cn1cnnc1C1CC[NH+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC000637940331 910007773 /nfs/dbraw/zinc/00/77/73/910007773.db2.gz GGGFFUDFCMPJIG-XMMPIXPASA-N 1 3 395.595 3.933 20 0 GHADHO Cn1cnnc1C1CCN(C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000637940331 910007790 /nfs/dbraw/zinc/00/77/90/910007790.db2.gz GGGFFUDFCMPJIG-XMMPIXPASA-N 1 3 395.595 3.933 20 0 GHADHO Cn1cnnc1C1CCN(C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000637940331 910007809 /nfs/dbraw/zinc/00/78/09/910007809.db2.gz GGGFFUDFCMPJIG-XMMPIXPASA-N 1 3 395.595 3.933 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])[C@@H](C)C1 ZINC000248480551 912131945 /nfs/dbraw/zinc/13/19/45/912131945.db2.gz APBSXEURLPPBTC-DAYGRLMNSA-N 1 3 399.373 3.942 20 0 GHADHO CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])[C@@H](C)C1 ZINC000248480551 912131954 /nfs/dbraw/zinc/13/19/54/912131954.db2.gz APBSXEURLPPBTC-DAYGRLMNSA-N 1 3 399.373 3.942 20 0 GHADHO CC(C)C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288888 915139419 /nfs/dbraw/zinc/13/94/19/915139419.db2.gz TYIXSRZCVAHMFU-PKTZIBPZSA-N 1 3 394.563 3.656 20 0 GHADHO CC(C)C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288888 915139428 /nfs/dbraw/zinc/13/94/28/915139428.db2.gz TYIXSRZCVAHMFU-PKTZIBPZSA-N 1 3 394.563 3.656 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)cc1CN1CCCCC1 ZINC000775365672 917192233 /nfs/dbraw/zinc/19/22/33/917192233.db2.gz YHHLFOLSVRYJPM-KNQAVFIVSA-N 1 3 398.547 3.772 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCc2nnc3ccccn32)cc1CN1CCCCC1 ZINC000775366441 917200518 /nfs/dbraw/zinc/20/05/18/917200518.db2.gz TTZBROMAAWESAO-GOSISDBHSA-N 1 3 393.535 3.617 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCc2nnc3ccccn32)cc1CN1CCCCC1 ZINC000775366442 917200688 /nfs/dbraw/zinc/20/06/88/917200688.db2.gz TTZBROMAAWESAO-SFHVURJKSA-N 1 3 393.535 3.617 20 0 GHADHO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)C1 ZINC000775379784 917308743 /nfs/dbraw/zinc/30/87/43/917308743.db2.gz BNLCRRGDKFAZRZ-FXAWDEMLSA-N 1 3 389.540 3.563 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCN(C)CC(F)(F)F)cc1CN1CCCCC1 ZINC000775386692 917328482 /nfs/dbraw/zinc/32/84/82/917328482.db2.gz FTCLMTNHNACMAT-INIZCTEOSA-N 1 3 387.490 3.826 20 0 GHADHO C[NH+]1CCC(Nc2ccccc2NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)CC1 ZINC000651234188 917536097 /nfs/dbraw/zinc/53/60/97/917536097.db2.gz PVQLBNFLEIFSPY-CVEARBPZSA-N 1 3 399.457 3.879 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@H](C(=O)N2CCCC2)C(C)C)ccc1OC ZINC000775412210 917557872 /nfs/dbraw/zinc/55/78/72/917557872.db2.gz ZZTOQEZGHZLGLU-AVRDEDQJSA-N 1 3 389.584 3.835 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC4(CCCCC4)CC3)CC2)CC1 ZINC000654696864 919295933 /nfs/dbraw/zinc/29/59/33/919295933.db2.gz FCGQQMJJBXOBQQ-UHFFFAOYSA-N 1 3 375.601 3.756 20 0 GHADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297419709 919319168 /nfs/dbraw/zinc/31/91/68/919319168.db2.gz YXPLFNWWDDGOHE-GOTSBHOMSA-N 1 3 398.595 3.523 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]Cc3cccnc3)CC2)c1 ZINC000119503079 919635521 /nfs/dbraw/zinc/63/55/21/919635521.db2.gz MDFNEKBOLHDZMH-UHFFFAOYSA-N 1 3 392.469 3.792 20 0 GHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1CN(C)C ZINC000365499206 920869319 /nfs/dbraw/zinc/86/93/19/920869319.db2.gz WHERIIQJLHVDTL-NRFANRHFSA-N 1 3 379.548 3.732 20 0 GHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1CN(C)C ZINC000365499206 920869331 /nfs/dbraw/zinc/86/93/31/920869331.db2.gz WHERIIQJLHVDTL-NRFANRHFSA-N 1 3 379.548 3.732 20 0 GHADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502388 922242807 /nfs/dbraw/zinc/24/28/07/922242807.db2.gz DZIPXPXIOAVCRU-JBUDQFAYSA-N 1 3 393.531 3.812 20 0 GHADHO COc1ccccc1-c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370709933 924269921 /nfs/dbraw/zinc/26/99/21/924269921.db2.gz LABPMOKQPGUGNA-GBXCKJPGSA-N 1 3 393.575 3.820 20 0 GHADHO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C2)CC1 ZINC000677386897 924347423 /nfs/dbraw/zinc/34/74/23/924347423.db2.gz KLTPQBAZCMVMFW-XZOQPEGZSA-N 1 3 398.595 3.587 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN(Cc2ccccc2)C1 ZINC000827011135 924543465 /nfs/dbraw/zinc/54/34/65/924543465.db2.gz DYDPTGLDGBLXIC-BWKNWUBXSA-N 1 3 392.591 3.794 20 0 GHADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN(Cc2ccccc2)C1 ZINC000827011142 924543487 /nfs/dbraw/zinc/54/34/87/924543487.db2.gz DYDPTGLDGBLXIC-OFVILXPXSA-N 1 3 392.591 3.794 20 0 GHADHO O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400098 925124621 /nfs/dbraw/zinc/12/46/21/925124621.db2.gz KWMKVYKADOJKKT-XBYSBRQOSA-N 1 3 381.564 3.705 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000373141204 925884710 /nfs/dbraw/zinc/88/47/10/925884710.db2.gz UMFLXHPJGPMPAL-NQIIRXRSSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000373141204 925884718 /nfs/dbraw/zinc/88/47/18/925884718.db2.gz UMFLXHPJGPMPAL-NQIIRXRSSA-N 1 3 376.504 3.779 20 0 GHADHO c1nnc([C@@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1C1CC1 ZINC000411398331 926366792 /nfs/dbraw/zinc/36/67/92/926366792.db2.gz JERUXLKFZHULJC-OAQYLSRUSA-N 1 3 379.552 3.979 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000390726199 926396852 /nfs/dbraw/zinc/39/68/52/926396852.db2.gz DREYFWWSRNOAEI-NHCUHLMSSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000390726199 926396855 /nfs/dbraw/zinc/39/68/55/926396855.db2.gz DREYFWWSRNOAEI-NHCUHLMSSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390726199 926396862 /nfs/dbraw/zinc/39/68/62/926396862.db2.gz DREYFWWSRNOAEI-NHCUHLMSSA-N 1 3 387.568 3.888 20 0 GHADHO CN(C)c1noc([C@@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411691613 926650223 /nfs/dbraw/zinc/65/02/23/926650223.db2.gz NPWOFJYUTBIHOC-HXUWFJFHSA-N 1 3 383.540 3.501 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C ZINC000753662220 929467975 /nfs/dbraw/zinc/46/79/75/929467975.db2.gz QWHMOXQDDRHRQT-IEIRFRATSA-N 1 3 382.548 3.846 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C ZINC000753662220 929467984 /nfs/dbraw/zinc/46/79/84/929467984.db2.gz QWHMOXQDDRHRQT-IEIRFRATSA-N 1 3 382.548 3.846 20 0 GHADHO COc1cc2c(cc1CNCC[C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)OCO2 ZINC000546056174 929812279 /nfs/dbraw/zinc/81/22/79/929812279.db2.gz NWLAUTVDJDUGOD-IEBWSBKVSA-N 1 3 382.504 3.814 20 0 GHADHO COc1cc2c(cc1CNCC[C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000546056174 929812283 /nfs/dbraw/zinc/81/22/83/929812283.db2.gz NWLAUTVDJDUGOD-IEBWSBKVSA-N 1 3 382.504 3.814 20 0 GHADHO CC(C)N(C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)C1CCCC1 ZINC000469786786 930161753 /nfs/dbraw/zinc/16/17/53/930161753.db2.gz KXPZEOLSUVTZNI-WOJBJXKFSA-N 1 3 385.596 3.912 20 0 GHADHO C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000470236058 930475581 /nfs/dbraw/zinc/47/55/81/930475581.db2.gz CLZXGZXDSNXSAN-HYBUGGRVSA-N 1 3 397.607 3.520 20 0 GHADHO C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000470236058 930475586 /nfs/dbraw/zinc/47/55/86/930475586.db2.gz CLZXGZXDSNXSAN-HYBUGGRVSA-N 1 3 397.607 3.520 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925783210 931902208 /nfs/dbraw/zinc/90/22/08/931902208.db2.gz DJKLLZQBQOXBQA-UTUOFQBUSA-N 1 3 377.838 3.521 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000558913718 932311056 /nfs/dbraw/zinc/31/10/56/932311056.db2.gz NZXPCUWYVURZIV-HXUWFJFHSA-N 1 3 392.975 3.649 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000927156569 932434784 /nfs/dbraw/zinc/43/47/84/932434784.db2.gz LJUWSCCHKXVYMG-LWUNOODGSA-N 1 3 376.544 3.864 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000927156569 932434790 /nfs/dbraw/zinc/43/47/90/932434790.db2.gz LJUWSCCHKXVYMG-LWUNOODGSA-N 1 3 376.544 3.864 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184576 932555295 /nfs/dbraw/zinc/55/52/95/932555295.db2.gz YCOXPODXOGTWIC-IAGOWNOFSA-N 1 3 377.598 3.815 20 0 GHADHO c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3NCCc2nnc(-c3ccccc3)o2)cc1 ZINC001117777381 934019113 /nfs/dbraw/zinc/01/91/13/934019113.db2.gz NLFDXPKERAVZIN-TYABSZSSSA-N 1 3 388.515 3.779 20 0 GHADHO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3NCCc2nnc(-c3ccccc3)o2)cc1 ZINC001117777381 934019120 /nfs/dbraw/zinc/01/91/20/934019120.db2.gz NLFDXPKERAVZIN-TYABSZSSSA-N 1 3 388.515 3.779 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(C[C@@H]4C[C@@H]4c4ccccc4)CC3)C2)cc1 ZINC000561963430 934589995 /nfs/dbraw/zinc/58/99/95/934589995.db2.gz NPCZMVZQVSWDCR-CCDWMCETSA-N 1 3 375.560 3.682 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(C[C@@H]4C[C@@H]4c4ccccc4)CC3)C2)cc1 ZINC000561963430 934589998 /nfs/dbraw/zinc/58/99/98/934589998.db2.gz NPCZMVZQVSWDCR-CCDWMCETSA-N 1 3 375.560 3.682 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297009 935607283 /nfs/dbraw/zinc/60/72/83/935607283.db2.gz SDQSGPQXCFHHAR-BVYCBKJFSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297009 935607289 /nfs/dbraw/zinc/60/72/89/935607289.db2.gz SDQSGPQXCFHHAR-BVYCBKJFSA-N 1 3 385.552 3.640 20 0 GHADHO Cc1cccc(C)c1CN1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001137854506 935826864 /nfs/dbraw/zinc/82/68/64/935826864.db2.gz ZJIZMSPZPPMTIB-LJQANCHMSA-N 1 3 387.568 3.867 20 0 GHADHO Cc1cccc(C)c1CN1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001137854506 935826869 /nfs/dbraw/zinc/82/68/69/935826869.db2.gz ZJIZMSPZPPMTIB-LJQANCHMSA-N 1 3 387.568 3.867 20 0 GHADHO CCc1ccc(CNC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000469765464 1016617822 /nfs/dbraw/zinc/61/78/22/1016617822.db2.gz STSFOPAHGFPLBP-ROUUACIJSA-N 1 3 399.604 3.673 20 0 GHADHO COC(=O)[C@](C)(CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000470143126 1016735776 /nfs/dbraw/zinc/73/57/76/1016735776.db2.gz JGGQSRVWYICISZ-NGYIFUPDSA-N 1 3 380.532 3.760 20 0 GHADHO COC(=O)[C@](C)(CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000470143126 1016735788 /nfs/dbraw/zinc/73/57/88/1016735788.db2.gz JGGQSRVWYICISZ-NGYIFUPDSA-N 1 3 380.532 3.760 20 0 GHADHO CN(C)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000470753118 1016881569 /nfs/dbraw/zinc/88/15/69/1016881569.db2.gz CZGUYYSNHAXTGO-GOTSBHOMSA-N 1 3 394.563 3.595 20 0 GHADHO CN(C)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000470753118 1016881587 /nfs/dbraw/zinc/88/15/87/1016881587.db2.gz CZGUYYSNHAXTGO-GOTSBHOMSA-N 1 3 394.563 3.595 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001221010976 1032235260 /nfs/dbraw/zinc/23/52/60/1032235260.db2.gz VSHUKALQXBROHS-XZOQPEGZSA-N 1 3 391.559 3.508 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001221010976 1032235277 /nfs/dbraw/zinc/23/52/77/1032235277.db2.gz VSHUKALQXBROHS-XZOQPEGZSA-N 1 3 391.559 3.508 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1(c2ccc(F)cc2)CCC(F)(F)CC1 ZINC001221217047 1032337574 /nfs/dbraw/zinc/33/75/74/1032337574.db2.gz UONLSJUCOHQDDI-SFHVURJKSA-N 1 3 399.501 3.842 20 0 GHADHO CC(C)(CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001221495477 1032437081 /nfs/dbraw/zinc/43/70/81/1032437081.db2.gz KCLDJUAWAJXGKX-QFIPXVFZSA-N 1 3 398.595 3.530 20 0 GHADHO CC(C)(CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001221495477 1032437085 /nfs/dbraw/zinc/43/70/85/1032437085.db2.gz KCLDJUAWAJXGKX-QFIPXVFZSA-N 1 3 398.595 3.530 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001221581311 1032469014 /nfs/dbraw/zinc/46/90/14/1032469014.db2.gz VNURGPTUSCJKHO-VXKWHMMOSA-N 1 3 386.584 3.696 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001221581311 1032469019 /nfs/dbraw/zinc/46/90/19/1032469019.db2.gz VNURGPTUSCJKHO-VXKWHMMOSA-N 1 3 386.584 3.696 20 0 GHADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4cccc(Cl)c4)s3)C2)nn1 ZINC000562750689 1018602337 /nfs/dbraw/zinc/60/23/37/1018602337.db2.gz SCSVAYAANVMLNO-KRWDZBQOSA-N 1 3 387.940 3.956 20 0 GHADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4cccc(Cl)c4)s3)C2)nn1 ZINC000562750689 1018602342 /nfs/dbraw/zinc/60/23/42/1018602342.db2.gz SCSVAYAANVMLNO-KRWDZBQOSA-N 1 3 387.940 3.956 20 0 GHADHO CN(CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961792 1020785356 /nfs/dbraw/zinc/78/53/56/1020785356.db2.gz ILVFVKJOQZCKDC-JXFKEZNVSA-N 1 3 397.485 3.689 20 0 GHADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961792 1020785364 /nfs/dbraw/zinc/78/53/64/1020785364.db2.gz ILVFVKJOQZCKDC-JXFKEZNVSA-N 1 3 397.485 3.689 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cccn(C(F)F)c2=O)cc1 ZINC000638363125 1021040976 /nfs/dbraw/zinc/04/09/76/1021040976.db2.gz ITUIUQBTTRECHN-INIZCTEOSA-N 1 3 375.463 3.908 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2cccn(C(F)F)c2=O)cc1 ZINC000638363125 1021040981 /nfs/dbraw/zinc/04/09/81/1021040981.db2.gz ITUIUQBTTRECHN-INIZCTEOSA-N 1 3 375.463 3.908 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4ccncc34)C[C@@H]21 ZINC001140803069 1022573316 /nfs/dbraw/zinc/57/33/16/1022573316.db2.gz KHXWKMDBPZFNCX-JWNTYJGQSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4ccncc34)C[C@@H]21 ZINC001140803069 1022573325 /nfs/dbraw/zinc/57/33/25/1022573325.db2.gz KHXWKMDBPZFNCX-JWNTYJGQSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4cc[nH]cc3-4)C[C@@H]21 ZINC001140803069 1022573331 /nfs/dbraw/zinc/57/33/31/1022573331.db2.gz KHXWKMDBPZFNCX-JWNTYJGQSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4cc[nH]cc3-4)C[C@@H]21 ZINC001140803069 1022573341 /nfs/dbraw/zinc/57/33/41/1022573341.db2.gz KHXWKMDBPZFNCX-JWNTYJGQSA-N 1 3 375.520 3.690 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1[nH]cc(C)c1C)CC2 ZINC001140860932 1022722150 /nfs/dbraw/zinc/72/21/50/1022722150.db2.gz YVLTZWNKVGGODS-NRFANRHFSA-N 1 3 382.552 3.530 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1[nH]cc(C)c1C)CC2 ZINC001140860932 1022722162 /nfs/dbraw/zinc/72/21/62/1022722162.db2.gz YVLTZWNKVGGODS-NRFANRHFSA-N 1 3 382.552 3.530 20 0 GHADHO CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001138057091 1023962575 /nfs/dbraw/zinc/96/25/75/1023962575.db2.gz GWLUPITUAYOVAL-DHIUTWEWSA-N 1 3 379.548 3.802 20 0 GHADHO Cc1cccc(Cl)c1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001138720364 1025246524 /nfs/dbraw/zinc/24/65/24/1025246524.db2.gz NAGXAMLMOVFQRD-NHCUHLMSSA-N 1 3 389.971 3.556 20 0 GHADHO COC[C@H](C)N(Cc1ccc(OCC[NH+](C)C)cc1)Cc1cccc(OC)c1 ZINC001138773207 1025343682 /nfs/dbraw/zinc/34/36/82/1025343682.db2.gz WECKZSAOPFXGQC-IBGZPJMESA-N 1 3 386.536 3.673 20 0 GHADHO C[C@H](C(=O)NCCNC(c1ccccc1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001161896644 1025480895 /nfs/dbraw/zinc/48/08/95/1025480895.db2.gz PGMIZAJJUHWHNA-HSALFYBXSA-N 1 3 379.548 3.743 20 0 GHADHO C[C@H](C(=O)NCCNC(c1ccccc1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001161896644 1025480904 /nfs/dbraw/zinc/48/09/04/1025480904.db2.gz PGMIZAJJUHWHNA-HSALFYBXSA-N 1 3 379.548 3.743 20 0 GHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001141557403 1025533908 /nfs/dbraw/zinc/53/39/08/1025533908.db2.gz FXHMQXSJSHZTLT-BJKOFHAPSA-N 1 3 391.559 3.647 20 0 GHADHO CCOc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004485 1025750380 /nfs/dbraw/zinc/75/03/80/1025750380.db2.gz XFEHCQREGSVKNJ-QFIPXVFZSA-N 1 3 396.531 3.965 20 0 GHADHO CCOc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004485 1025750388 /nfs/dbraw/zinc/75/03/88/1025750388.db2.gz XFEHCQREGSVKNJ-QFIPXVFZSA-N 1 3 396.531 3.965 20 0 GHADHO c1cn(-c2ccc(C[NH+]3CCC4(CCN(Cc5ccoc5)C4)CC3)cc2)cn1 ZINC001139360490 1026233745 /nfs/dbraw/zinc/23/37/45/1026233745.db2.gz XSJQWQPOLPQOPK-UHFFFAOYSA-N 1 3 376.504 3.953 20 0 GHADHO c1ncn(-c2ccccc2CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001139422063 1026292247 /nfs/dbraw/zinc/29/22/47/1026292247.db2.gz PDVFVACNAVRJLM-JVNMPXIPSA-N 1 3 389.547 3.662 20 0 GHADHO c1ncn(-c2ccccc2CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001139422063 1026292257 /nfs/dbraw/zinc/29/22/57/1026292257.db2.gz PDVFVACNAVRJLM-JVNMPXIPSA-N 1 3 389.547 3.662 20 0 GHADHO Cn1ccc2c1ccnc2N(c1cccc(F)c1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001165482676 1026743391 /nfs/dbraw/zinc/74/33/91/1026743391.db2.gz VUSABWJIXZLEGO-PGRDOPGGSA-N 1 3 380.467 3.762 20 0 GHADHO NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000840862982 1027899467 /nfs/dbraw/zinc/89/94/67/1027899467.db2.gz DCQZKLMMBNPHPR-GPJHCHHRSA-N 1 3 393.531 3.892 20 0 GHADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1Br ZINC001461429064 1069545148 /nfs/dbraw/zinc/54/51/48/1069545148.db2.gz CIJQRHDZFMAXAY-IBGZPJMESA-N 1 3 389.337 3.614 20 0 GHADHO Cc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1Br ZINC001461429064 1069545156 /nfs/dbraw/zinc/54/51/56/1069545156.db2.gz CIJQRHDZFMAXAY-IBGZPJMESA-N 1 3 389.337 3.614 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC001215876941 1029435789 /nfs/dbraw/zinc/43/57/89/1029435789.db2.gz ZVRIUKJCCWVFQF-HNNXBMFYSA-N 1 3 388.478 3.575 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC001215876941 1029435797 /nfs/dbraw/zinc/43/57/97/1029435797.db2.gz ZVRIUKJCCWVFQF-HNNXBMFYSA-N 1 3 388.478 3.575 20 0 GHADHO C[C@](O)(CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679369 1029484825 /nfs/dbraw/zinc/48/48/25/1029484825.db2.gz LYRJAVXREZZHOI-UGKGYDQZSA-N 1 3 386.486 3.959 20 0 GHADHO C[C@](O)(CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679369 1029484832 /nfs/dbraw/zinc/48/48/32/1029484832.db2.gz LYRJAVXREZZHOI-UGKGYDQZSA-N 1 3 386.486 3.959 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001142848477 1029578268 /nfs/dbraw/zinc/57/82/68/1029578268.db2.gz OMZNYRNVEHOVJF-LJQANCHMSA-N 1 3 391.987 3.885 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001142848477 1029578275 /nfs/dbraw/zinc/57/82/75/1029578275.db2.gz OMZNYRNVEHOVJF-LJQANCHMSA-N 1 3 391.987 3.885 20 0 GHADHO COC(=O)Cc1ccc(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001142910802 1029675924 /nfs/dbraw/zinc/67/59/24/1029675924.db2.gz NTAGFBGEUDIZOV-XJTUCQONSA-N 1 3 394.559 3.797 20 0 GHADHO COC(=O)Cc1ccc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001142910802 1029675927 /nfs/dbraw/zinc/67/59/27/1029675927.db2.gz NTAGFBGEUDIZOV-XJTUCQONSA-N 1 3 394.559 3.797 20 0 GHADHO CCCCCCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000843125257 1029816489 /nfs/dbraw/zinc/81/64/89/1029816489.db2.gz PMDUUIRYPUHRBS-OFNKIYASSA-N 1 3 390.568 3.983 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)N2Cc2cccc3c2CCO3)cc1 ZINC001222590552 1030215235 /nfs/dbraw/zinc/21/52/35/1030215235.db2.gz JEGYDNXEOCSHPP-QFIPXVFZSA-N 1 3 392.543 3.925 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H]6C[NH2+][C@H](C)C6)cc54)O[C@H](CN3C1)C2 ZINC001218040146 1030737542 /nfs/dbraw/zinc/73/75/42/1030737542.db2.gz SPOUJIBDFMMAOO-ZIUDDJNRSA-N 1 3 393.531 3.678 20 0 GHADHO CN1Cc2c(NC(=O)C3CCC4(C[NH2+]C4)CC3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046360 1031227615 /nfs/dbraw/zinc/22/76/15/1031227615.db2.gz BIJMMPRMORAXBI-OAQYLSRUSA-N 1 3 389.543 3.982 20 0 GHADHO CN1Cc2c(NC(=O)[C@@H]3[C@H]([NH3+])[C@H]4CC[C@@H]3C4)cccc2[C@@H](c2ccccc2)C1 ZINC001219047040 1031229216 /nfs/dbraw/zinc/22/92/16/1031229216.db2.gz OVMIPAYZDJGLAW-CUSRLENDSA-N 1 3 375.516 3.576 20 0 GHADHO CC1(C)CN(Cc2ccccc2)C[C@H](COc2cc(N)[nH+]c3ccccc32)O1 ZINC001226423175 1031955559 /nfs/dbraw/zinc/95/55/59/1031955559.db2.gz UBRCIYXHOSZMOJ-GOSISDBHSA-N 1 3 377.488 3.875 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2cc(N)nc3ccccc32)O1 ZINC001226423175 1031955560 /nfs/dbraw/zinc/95/55/60/1031955560.db2.gz UBRCIYXHOSZMOJ-GOSISDBHSA-N 1 3 377.488 3.875 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2cc(N)nc3ccccc32)O1 ZINC001226423175 1031955561 /nfs/dbraw/zinc/95/55/61/1031955561.db2.gz UBRCIYXHOSZMOJ-GOSISDBHSA-N 1 3 377.488 3.875 20 0 GHADHO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001205813967 1033587045 /nfs/dbraw/zinc/58/70/45/1033587045.db2.gz AOPUWBOYUKMHSL-ZJSXRUAMSA-N 1 3 392.591 3.568 20 0 GHADHO CN(C)c1cccc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001157667312 1033711862 /nfs/dbraw/zinc/71/18/62/1033711862.db2.gz GXKYAEYXJRANSN-UHFFFAOYSA-N 1 3 394.563 3.798 20 0 GHADHO COc1cccc(C(F)(F)F)c1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001157693290 1033726565 /nfs/dbraw/zinc/72/65/65/1033726565.db2.gz KVNWDLHIGGLJNN-UHFFFAOYSA-N 1 3 380.414 3.649 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1ccncc1F)CC2 ZINC001206784900 1033983107 /nfs/dbraw/zinc/98/31/07/1033983107.db2.gz YHEXMVXEIIKTJN-KRWDZBQOSA-N 1 3 375.513 3.538 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1ccncc1F)CC2 ZINC001206784900 1033983110 /nfs/dbraw/zinc/98/31/10/1033983110.db2.gz YHEXMVXEIIKTJN-KRWDZBQOSA-N 1 3 375.513 3.538 20 0 GHADHO CN1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C2(CCCC2)C1 ZINC001158410802 1034066559 /nfs/dbraw/zinc/06/65/59/1034066559.db2.gz YCXNLSBLHSJQOQ-UHFFFAOYSA-N 1 3 396.913 3.721 20 0 GHADHO COCCN(Cc1ccc(N(C)c2ccccc2)nc1)CC1CC[NH+](C)CC1 ZINC001207075402 1034081005 /nfs/dbraw/zinc/08/10/05/1034081005.db2.gz DDDKPFUWZDMDEB-UHFFFAOYSA-N 1 3 382.552 3.640 20 0 GHADHO CN1CCC(N(c2nnc(Cl)c3ccc(Cl)cc32)C2CC[NH2+]CC2)CC1 ZINC001158588847 1034179508 /nfs/dbraw/zinc/17/95/08/1034179508.db2.gz HCZHBTNFTNZSQD-UHFFFAOYSA-N 1 3 394.350 3.589 20 0 GHADHO C[C@@H](c1ccc(Br)cc1)N1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207488943 1034396914 /nfs/dbraw/zinc/39/69/14/1034396914.db2.gz TVMTUVXHZZYQCF-KRWDZBQOSA-N 1 3 394.401 3.860 20 0 GHADHO Brc1cccc(CCN2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001207503279 1034409123 /nfs/dbraw/zinc/40/91/23/1034409123.db2.gz FDCKZHZSNQQDDC-UHFFFAOYSA-N 1 3 395.385 3.816 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCCc1ccc(C)o1)CC2 ZINC001207945422 1034674846 /nfs/dbraw/zinc/67/48/46/1034674846.db2.gz XRSVBLPTSGJPEC-QFIPXVFZSA-N 1 3 397.563 3.919 20 0 GHADHO COc1ccc2cnc(N[C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)cc2c1 ZINC001159625949 1034693485 /nfs/dbraw/zinc/69/34/85/1034693485.db2.gz PTRMBCCAVXPUCW-HZCBDIJESA-N 1 3 394.563 3.994 20 0 GHADHO C[NH+](C)CC1(CN2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CCCC1 ZINC001208185034 1034781247 /nfs/dbraw/zinc/78/12/47/1034781247.db2.gz UCXOEVHIZJKDGI-QFIPXVFZSA-N 1 3 379.589 3.831 20 0 GHADHO CN(C)CC1(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)CCCC1 ZINC001208190556 1034784694 /nfs/dbraw/zinc/78/46/94/1034784694.db2.gz GJKXTTPQYCGWHU-ACIOBRDBSA-N 1 3 384.612 3.736 20 0 GHADHO CN(C)CC1(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)CCCC1 ZINC001208190556 1034784701 /nfs/dbraw/zinc/78/47/01/1034784701.db2.gz GJKXTTPQYCGWHU-ACIOBRDBSA-N 1 3 384.612 3.736 20 0 GHADHO CC(=O)N1CC2(CCN(CC3(C[NH+](C)C)CCCC3)CC2)c2cc(C)ccc21 ZINC001208191817 1034787537 /nfs/dbraw/zinc/78/75/37/1034787537.db2.gz QAEYDMVQJHPOMU-UHFFFAOYSA-N 1 3 383.580 3.817 20 0 GHADHO CCN1CCN(c2ccc(Nc3cccc(F)c3N3CCC([NH3+])CC3)cc2)CC1 ZINC001160108512 1034864059 /nfs/dbraw/zinc/86/40/59/1034864059.db2.gz MVAHKLMAOPWJPG-UHFFFAOYSA-N 1 3 397.542 3.639 20 0 GHADHO C[N@@H+]1CCC[C@H](CN2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606820 1034952339 /nfs/dbraw/zinc/95/23/39/1034952339.db2.gz HEHURWZWJQJILT-FPOVZHCZSA-N 1 3 399.579 3.665 20 0 GHADHO C[N@H+]1CCC[C@H](CN2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606820 1034952343 /nfs/dbraw/zinc/95/23/43/1034952343.db2.gz HEHURWZWJQJILT-FPOVZHCZSA-N 1 3 399.579 3.665 20 0 GHADHO N[C@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC001160461737 1034982784 /nfs/dbraw/zinc/98/27/84/1034982784.db2.gz WSRMODUEQQXOBX-ZWKOTPCHSA-N 1 3 383.458 3.572 20 0 GHADHO C[C@@H]1CC[NH2+]C[C@H]1C(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160684641 1035035341 /nfs/dbraw/zinc/03/53/41/1035035341.db2.gz XNKVWPDLFLEFBP-FGCOXFRFSA-N 1 3 391.559 3.535 20 0 GHADHO C[C@@H]1CC[NH2+]C[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160684640 1035035852 /nfs/dbraw/zinc/03/58/52/1035035852.db2.gz XNKVWPDLFLEFBP-AGILITTLSA-N 1 3 391.559 3.535 20 0 GHADHO c1c(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)nc2cc[nH]cc1-2 ZINC001232013731 1035044703 /nfs/dbraw/zinc/04/47/03/1035044703.db2.gz SXYAZDUIESAJHY-URXFXBBRSA-N 1 3 394.563 3.523 20 0 GHADHO c1c(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)nc2cc[nH]cc1-2 ZINC001232013731 1035044711 /nfs/dbraw/zinc/04/47/11/1035044711.db2.gz SXYAZDUIESAJHY-URXFXBBRSA-N 1 3 394.563 3.523 20 0 GHADHO c1c2cnccc2[nH]c1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001232013731 1035044718 /nfs/dbraw/zinc/04/47/18/1035044718.db2.gz SXYAZDUIESAJHY-URXFXBBRSA-N 1 3 394.563 3.523 20 0 GHADHO c1c2cnccc2[nH]c1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001232013731 1035044726 /nfs/dbraw/zinc/04/47/26/1035044726.db2.gz SXYAZDUIESAJHY-URXFXBBRSA-N 1 3 394.563 3.523 20 0 GHADHO C[N@H+]1CC=C(Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC001208839169 1035051360 /nfs/dbraw/zinc/05/13/60/1035051360.db2.gz YAEKUIWPWCJOIT-UHFFFAOYSA-N 1 3 376.548 3.636 20 0 GHADHO C[N@@H+]1CC=C(Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC001208839169 1035051369 /nfs/dbraw/zinc/05/13/69/1035051369.db2.gz YAEKUIWPWCJOIT-UHFFFAOYSA-N 1 3 376.548 3.636 20 0 GHADHO CCCOc1cc(NC2=CCN(C)CC2)ccc1C(=O)OCC[NH+](CC)CC ZINC001208910642 1035086664 /nfs/dbraw/zinc/08/66/64/1035086664.db2.gz RYFNLQLEUITQPP-UHFFFAOYSA-N 1 3 389.540 3.605 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208933206 1035097058 /nfs/dbraw/zinc/09/70/58/1035097058.db2.gz UUGBFUSAPTWDEN-FDFHNCONSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208933206 1035097065 /nfs/dbraw/zinc/09/70/65/1035097065.db2.gz UUGBFUSAPTWDEN-FDFHNCONSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C[C@H](O)c1ccc2ccccc2c1)C(C)C ZINC001160932389 1035097785 /nfs/dbraw/zinc/09/77/85/1035097785.db2.gz BWSTYDYPCBQKHE-GOTSBHOMSA-N 1 3 399.579 3.606 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@@H](CN3CC4(C3)CCN(Cc3cccnc3)C4)C2)cc1 ZINC001208938130 1035106624 /nfs/dbraw/zinc/10/66/24/1035106624.db2.gz UYRKMHPWKJPOAE-XMMPIXPASA-N 1 3 390.575 3.502 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@@H](CN3CC4(C3)CCN(Cc3cccnc3)C4)C2)cc1 ZINC001208938130 1035106629 /nfs/dbraw/zinc/10/66/29/1035106629.db2.gz UYRKMHPWKJPOAE-XMMPIXPASA-N 1 3 390.575 3.502 20 0 GHADHO CN(C[C@@H]1CCN(Cc2cc(F)cc(C[NH+](C)C)c2)C1)C(=O)OC(C)(C)C ZINC001232150170 1035128723 /nfs/dbraw/zinc/12/87/23/1035128723.db2.gz UGCAWOBGKDQKLB-INIZCTEOSA-N 1 3 379.520 3.576 20 0 GHADHO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC001161201357 1035178303 /nfs/dbraw/zinc/17/83/03/1035178303.db2.gz XKFNVDUMFLHFGV-UHFFFAOYSA-N 1 3 376.460 3.570 20 0 GHADHO CN1CC[C@]2(CC[N@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311299 1035238289 /nfs/dbraw/zinc/23/82/89/1035238289.db2.gz XWQLPQMYMBKICO-QFIPXVFZSA-N 1 3 379.589 3.974 20 0 GHADHO CN1CC[C@]2(CC[N@@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311299 1035238293 /nfs/dbraw/zinc/23/82/93/1035238293.db2.gz XWQLPQMYMBKICO-QFIPXVFZSA-N 1 3 379.589 3.974 20 0 GHADHO COC1CCN(C2CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC2)CC1 ZINC001209360142 1035253438 /nfs/dbraw/zinc/25/34/38/1035253438.db2.gz VMFVUEWNCAKZEE-UHFFFAOYSA-N 1 3 397.604 3.647 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC001248529215 1035934058 /nfs/dbraw/zinc/93/40/58/1035934058.db2.gz ASYVSHMBAFAZII-PZJWPPBQSA-N 1 3 386.584 3.728 20 0 GHADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001246053410 1037164950 /nfs/dbraw/zinc/16/49/50/1037164950.db2.gz HTGVLPONYGJEOZ-FCHUYYIVSA-N 1 3 390.930 3.665 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001246053410 1037164960 /nfs/dbraw/zinc/16/49/60/1037164960.db2.gz HTGVLPONYGJEOZ-FCHUYYIVSA-N 1 3 390.930 3.665 20 0 GHADHO Cc1cccc2c1C1(C[C@@H]2N[C@H](C)CS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC001246244613 1037252415 /nfs/dbraw/zinc/25/24/15/1037252415.db2.gz BLLQFUGLEANREJ-NQIIRXRSSA-N 1 3 398.572 3.513 20 0 GHADHO CCCC[C@@H]1C[C@H](NC[C@H]2C[C@]2(C(=O)N(CC)CC)c2ccccc2)CC[NH2+]1 ZINC001246283208 1037275211 /nfs/dbraw/zinc/27/52/11/1037275211.db2.gz AITZOWSJGOQUDZ-AZKZNFPZSA-N 1 3 385.596 3.713 20 0 GHADHO C[C@H](CCc1ccc(Br)cc1)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246342234 1037303515 /nfs/dbraw/zinc/30/35/15/1037303515.db2.gz QXUPKQIPPFTVNP-UGFHNGPFSA-N 1 3 379.264 3.900 20 0 GHADHO Fc1cccc(F)c1CN1CCC([NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246356228 1037314115 /nfs/dbraw/zinc/31/41/15/1037314115.db2.gz RSVHNMLWBRDMLC-LEWJYISDSA-N 1 3 399.529 3.882 20 0 GHADHO Fc1cccc(F)c1CN1CCC([NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246356231 1037314788 /nfs/dbraw/zinc/31/47/88/1037314788.db2.gz RSVHNMLWBRDMLC-SFTDATJTSA-N 1 3 399.529 3.882 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([NH2+]C1(Cc3ccc(F)cc3)CCNCC1)CC2 ZINC001246393631 1037354800 /nfs/dbraw/zinc/35/48/00/1037354800.db2.gz WYAOMAZPBPVFQB-FUHYEJFZSA-N 1 3 388.527 3.592 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246418410 1037373698 /nfs/dbraw/zinc/37/36/98/1037373698.db2.gz ABLULOCTOIAMLY-PBHICJAKSA-N 1 3 384.442 3.606 20 0 GHADHO COc1ccccc1CC1(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246424648 1037382589 /nfs/dbraw/zinc/38/25/89/1037382589.db2.gz HEILAZUWJGJWRT-NFBKMPQASA-N 1 3 393.575 3.613 20 0 GHADHO CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CCN1 ZINC001246441088 1037402567 /nfs/dbraw/zinc/40/25/67/1037402567.db2.gz KGFOSIPJWMKEGY-MSOLQXFVSA-N 1 3 395.385 3.909 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2(Cc3ccccc3)CCNCC2)cc1 ZINC001246470923 1037422715 /nfs/dbraw/zinc/42/27/15/1037422715.db2.gz ZRSVZJOXJPUFFT-IBGZPJMESA-N 1 3 380.532 3.749 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246683350 1037546557 /nfs/dbraw/zinc/54/65/57/1037546557.db2.gz RZQVBNMWWUMXFW-RZPHLTDDSA-N 1 3 392.543 3.873 20 0 GHADHO c1cncc(C[C@H]2[C@@H](OCC3CC3)CCN2[C@@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246701085 1037555862 /nfs/dbraw/zinc/55/58/62/1037555862.db2.gz NCJPRQNATUGJKB-VJBWXMMDSA-N 1 3 383.580 3.949 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CCN([C@@H](C)CC[NH2+]C)CC2)c2ccccc21 ZINC001246753381 1037593606 /nfs/dbraw/zinc/59/36/06/1037593606.db2.gz LADIJRDIILJDSO-VQTJNVASSA-N 1 3 385.596 3.764 20 0 GHADHO O=C1C[C@@]2(CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1cccc(F)c1 ZINC001246759178 1037601339 /nfs/dbraw/zinc/60/13/39/1037601339.db2.gz QLWZOHGWXVPKOO-RBBKRZOGSA-N 1 3 385.527 3.709 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CCC3(C[C@H](CC(=O)NC)c4ccccc43)CC2)CC[NH2+]1 ZINC001246768294 1037609997 /nfs/dbraw/zinc/60/99/97/1037609997.db2.gz UBFIYLMQRKIODS-HBMCJLEFSA-N 1 3 397.607 3.954 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H](CC(=O)NC)c4ccccc43)CC2)CCN1 ZINC001246768294 1037610005 /nfs/dbraw/zinc/61/00/05/1037610005.db2.gz UBFIYLMQRKIODS-HBMCJLEFSA-N 1 3 397.607 3.954 20 0 GHADHO COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CCN[C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246783308 1037623622 /nfs/dbraw/zinc/62/36/22/1037623622.db2.gz SYTKREQRQKCVHX-AWRGLXIESA-N 1 3 380.532 3.902 20 0 GHADHO COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CCN[C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246783308 1037623629 /nfs/dbraw/zinc/62/36/29/1037623629.db2.gz SYTKREQRQKCVHX-AWRGLXIESA-N 1 3 380.532 3.902 20 0 GHADHO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246841120 1037669003 /nfs/dbraw/zinc/66/90/03/1037669003.db2.gz TTWOLXVSRUGDMA-PMOQBDJRSA-N 1 3 382.548 3.895 20 0 GHADHO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246841120 1037669026 /nfs/dbraw/zinc/66/90/26/1037669026.db2.gz TTWOLXVSRUGDMA-PMOQBDJRSA-N 1 3 382.548 3.895 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246960943 1037779595 /nfs/dbraw/zinc/77/95/95/1037779595.db2.gz FFDJSPCYXDIQHN-LAUBAEHRSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246960943 1037779615 /nfs/dbraw/zinc/77/96/15/1037779615.db2.gz FFDJSPCYXDIQHN-LAUBAEHRSA-N 1 3 376.516 3.810 20 0 GHADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc(C)c1Br ZINC001232525052 1038289115 /nfs/dbraw/zinc/28/91/15/1038289115.db2.gz XDXMSSRCJAZMAZ-UHFFFAOYSA-N 1 3 394.401 3.525 20 0 GHADHO c1csc(C[NH+]2CCC3(CCN(Cc4c[nH]c5nccnc45)CC3)CC2)c1 ZINC001232547037 1038314987 /nfs/dbraw/zinc/31/49/87/1038314987.db2.gz XYBAPAIYNMPUFB-UHFFFAOYSA-N 1 3 381.549 3.849 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C[C@@H](O)c1ccccc1)CC2 ZINC001251985537 1038792952 /nfs/dbraw/zinc/79/29/52/1038792952.db2.gz JJIKBUGSILHSJL-TZIWHRDSSA-N 1 3 386.561 3.537 20 0 GHADHO CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC001252931803 1039269174 /nfs/dbraw/zinc/26/91/74/1039269174.db2.gz MXYJRMHTRWRGIS-UGKGYDQZSA-N 1 3 388.600 3.929 20 0 GHADHO CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC001252931803 1039269189 /nfs/dbraw/zinc/26/91/89/1039269189.db2.gz MXYJRMHTRWRGIS-UGKGYDQZSA-N 1 3 388.600 3.929 20 0 GHADHO CC(C)C[N@H+](C[C@H](O)CNC(C)(C)C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001253396686 1039598597 /nfs/dbraw/zinc/59/85/97/1039598597.db2.gz CODCWAAZHWYUTC-GUDVDZBRSA-N 1 3 399.620 3.529 20 0 GHADHO CC(C)C[N@@H+](C[C@H](O)CNC(C)(C)C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001253396686 1039598610 /nfs/dbraw/zinc/59/86/10/1039598610.db2.gz CODCWAAZHWYUTC-GUDVDZBRSA-N 1 3 399.620 3.529 20 0 GHADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1ccncc1Cl)CC2 ZINC001278729927 1039729287 /nfs/dbraw/zinc/72/92/87/1039729287.db2.gz UWWRNVYKALDCRM-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1ccncc1Cl)CC2 ZINC001278729927 1039729303 /nfs/dbraw/zinc/72/93/03/1039729303.db2.gz UWWRNVYKALDCRM-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO Cc1ccccc1N(C)c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC001234269147 1039946771 /nfs/dbraw/zinc/94/67/71/1039946771.db2.gz LKVSDLBXPSCMOZ-UHFFFAOYSA-N 1 3 392.591 3.975 20 0 GHADHO C[NH+]1C(C)(C)CC(N[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001254685606 1040442221 /nfs/dbraw/zinc/44/22/21/1040442221.db2.gz DFYXUONDQXLOMC-MRXNPFEDSA-N 1 3 397.629 3.722 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001254685606 1040442228 /nfs/dbraw/zinc/44/22/28/1040442228.db2.gz DFYXUONDQXLOMC-MRXNPFEDSA-N 1 3 397.629 3.722 20 0 GHADHO COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@]4(C3)CNCCC4(F)F)c2c1 ZINC001235093546 1040582865 /nfs/dbraw/zinc/58/28/65/1040582865.db2.gz LXOVVXZFXNOWIG-HXUWFJFHSA-N 1 3 376.447 3.678 20 0 GHADHO COc1ccc2c(OC)ccc(C[N@H+]3CC[C@]4(C3)CNCCC4(F)F)c2c1 ZINC001235093546 1040582874 /nfs/dbraw/zinc/58/28/74/1040582874.db2.gz LXOVVXZFXNOWIG-HXUWFJFHSA-N 1 3 376.447 3.678 20 0 GHADHO COC(=O)c1ccc2[nH]cc(CN3CCC4(CC3)C[NH2+]Cc3ccccc34)c2c1 ZINC001235095514 1040584843 /nfs/dbraw/zinc/58/48/43/1040584843.db2.gz VXEKDQMQNLWYGJ-UHFFFAOYSA-N 1 3 389.499 3.592 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](N3CCC([NH+]4CCC(F)CC4)CC3)C[C@@H]2C1 ZINC001254918708 1040667828 /nfs/dbraw/zinc/66/78/28/1040667828.db2.gz MCGTVHOLSJQXRR-YRWFTTLQSA-N 1 3 395.563 3.530 20 0 GHADHO CCOc1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1OCCCOC ZINC001235243130 1040724064 /nfs/dbraw/zinc/72/40/64/1040724064.db2.gz VZJNQXGZEOQOSU-NRFANRHFSA-N 1 3 390.568 3.855 20 0 GHADHO COc1cccnc1C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255133195 1040831849 /nfs/dbraw/zinc/83/18/49/1040831849.db2.gz PITABNXQUYRVLJ-WKCHPHFGSA-N 1 3 377.532 3.907 20 0 GHADHO COc1cccnc1C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255133195 1040831864 /nfs/dbraw/zinc/83/18/64/1040831864.db2.gz PITABNXQUYRVLJ-WKCHPHFGSA-N 1 3 377.532 3.907 20 0 GHADHO c1ccc([C@@]23CC[NH2+]C[C@H]2CN(Cc2cccc(-c4cncnc4)c2)CC3)cc1 ZINC001235361526 1040846561 /nfs/dbraw/zinc/84/65/61/1040846561.db2.gz FLGZHJPOUCMEPY-DQEYMECFSA-N 1 3 384.527 3.897 20 0 GHADHO c1ccc([C@]23CC[NH2+]C[C@@H]2CN(Cc2cccc(-c4cncnc4)c2)CC3)cc1 ZINC001235361531 1040847280 /nfs/dbraw/zinc/84/72/80/1040847280.db2.gz FLGZHJPOUCMEPY-JWQCQUIFSA-N 1 3 384.527 3.897 20 0 GHADHO FC(F)(F)c1nn([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c1CNCC2 ZINC001255145417 1040858316 /nfs/dbraw/zinc/85/83/16/1040858316.db2.gz BNOXQKRZFNGKAI-FVQHAEBGSA-N 1 3 390.453 3.916 20 0 GHADHO FC(F)(F)c1nn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1CNCC2 ZINC001255145417 1040858330 /nfs/dbraw/zinc/85/83/30/1040858330.db2.gz BNOXQKRZFNGKAI-FVQHAEBGSA-N 1 3 390.453 3.916 20 0 GHADHO Cc1cnc(O[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)nc1 ZINC001255148824 1040862544 /nfs/dbraw/zinc/86/25/44/1040862544.db2.gz CFGDZRYULWPDKG-AFXVXQJMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cnc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)nc1 ZINC001255148824 1040862561 /nfs/dbraw/zinc/86/25/61/1040862561.db2.gz CFGDZRYULWPDKG-AFXVXQJMSA-N 1 3 392.547 3.824 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001255197908 1040902285 /nfs/dbraw/zinc/90/22/85/1040902285.db2.gz BKVLNHBIYQUZFG-WLRLJWMZSA-N 1 3 375.557 3.549 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H](N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001255352265 1040957367 /nfs/dbraw/zinc/95/73/67/1040957367.db2.gz JULVDERQQBNGNP-FAWFWBEASA-N 1 3 390.527 3.685 20 0 GHADHO Cc1noc([C@H]2C[C@@H]3CC[N@@H+]([C@@H]4CCCN(Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401073 1040987607 /nfs/dbraw/zinc/98/76/07/1040987607.db2.gz QXCOSPVQEZIKTE-DXBBTUNJSA-N 1 3 396.535 3.585 20 0 GHADHO Cc1noc([C@H]2C[C@@H]3CC[N@H+]([C@@H]4CCCN(Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401073 1040987610 /nfs/dbraw/zinc/98/76/10/1040987610.db2.gz QXCOSPVQEZIKTE-DXBBTUNJSA-N 1 3 396.535 3.585 20 0 GHADHO COc1ccc(Oc2ccc(C[NH+]3CCC(N4CCN(C)CC4)CC3)cc2)cc1 ZINC001462516885 1070319685 /nfs/dbraw/zinc/31/96/85/1070319685.db2.gz GIIJACZOISCUQP-UHFFFAOYSA-N 1 3 395.547 3.699 20 0 GHADHO c1c(C2CC[NH2+]CC2)nn2cc(CN3CCC[C@H](Cc4ccccc4)C3)cnc12 ZINC001235673583 1041131104 /nfs/dbraw/zinc/13/11/04/1041131104.db2.gz OWSHGDINAYOSMT-HXUWFJFHSA-N 1 3 389.547 3.651 20 0 GHADHO CCOc1cc(CN2CCC(C3CC[NH2+]CC3)CC2)ccc1OCCCOC ZINC001235705015 1041184551 /nfs/dbraw/zinc/18/45/51/1041184551.db2.gz FDXQRPFGLSBDCK-UHFFFAOYSA-N 1 3 390.568 3.712 20 0 GHADHO Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](C2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001255676326 1041208071 /nfs/dbraw/zinc/20/80/71/1041208071.db2.gz FEPIWIYCHUTSSA-UNOLLAJISA-N 1 3 383.580 3.682 20 0 GHADHO Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](C2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001255676326 1041208079 /nfs/dbraw/zinc/20/80/79/1041208079.db2.gz FEPIWIYCHUTSSA-UNOLLAJISA-N 1 3 383.580 3.682 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)c2)CC1 ZINC001255688983 1041220177 /nfs/dbraw/zinc/22/01/77/1041220177.db2.gz GKHDIBAIAZAQQM-UHFFFAOYSA-N 1 3 379.548 3.513 20 0 GHADHO COc1cccc(OC)c1CN1CCC(n2c(C[NH3+])cc3ccccc32)CC1 ZINC001255921920 1041410509 /nfs/dbraw/zinc/41/05/09/1041410509.db2.gz OBRFINJIMWTTMK-UHFFFAOYSA-N 1 3 379.504 3.954 20 0 GHADHO COc1cccc(OC)c1CN1CCC(n2cc(CC[NH3+])c3ccccc32)CC1 ZINC001255923262 1041411686 /nfs/dbraw/zinc/41/16/86/1041411686.db2.gz HYLIVJASYMPYIQ-UHFFFAOYSA-N 1 3 393.531 3.997 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]CCCOC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255940832 1041429370 /nfs/dbraw/zinc/42/93/70/1041429370.db2.gz HEUNEMDNQWCPOZ-GOSISDBHSA-N 1 3 385.593 3.503 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001255961949 1041442592 /nfs/dbraw/zinc/44/25/92/1041442592.db2.gz RAVGOHPHQBROBI-WWNPGLIZSA-N 1 3 389.584 3.590 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001255961949 1041442598 /nfs/dbraw/zinc/44/25/98/1041442598.db2.gz RAVGOHPHQBROBI-WWNPGLIZSA-N 1 3 389.584 3.590 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC001256066644 1041504652 /nfs/dbraw/zinc/50/46/52/1041504652.db2.gz LGZVHLXVFBYXQS-RTWAWAEBSA-N 1 3 385.552 3.954 20 0 GHADHO COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC001236098486 1041533235 /nfs/dbraw/zinc/53/32/35/1041533235.db2.gz QPIKRZRDFFGERI-CTNGQTDRSA-N 1 3 384.545 3.705 20 0 GHADHO COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC001236098486 1041533252 /nfs/dbraw/zinc/53/32/52/1041533252.db2.gz QPIKRZRDFFGERI-CTNGQTDRSA-N 1 3 384.545 3.705 20 0 GHADHO CC(C)(C)c1cc(CN2CCC(N3CC[NH2+]CC3)CC2)cc(C(C)(C)C)c1O ZINC001236127429 1041554857 /nfs/dbraw/zinc/55/48/57/1041554857.db2.gz HPUKUCUPUJTJCU-UHFFFAOYSA-N 1 3 387.612 3.857 20 0 GHADHO C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001256179859 1041624652 /nfs/dbraw/zinc/62/46/52/1041624652.db2.gz XDNZPKAFZCCHBX-SNRMKQJTSA-N 1 3 381.358 3.613 20 0 GHADHO Brc1cccc(Br)c1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320267 1041669750 /nfs/dbraw/zinc/66/97/50/1041669750.db2.gz OWGZTPPXDLROBX-TXEJJXNPSA-N 1 3 388.147 3.643 20 0 GHADHO COc1cc(CN(Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cnc1Cl ZINC001236386027 1041693492 /nfs/dbraw/zinc/69/34/92/1041693492.db2.gz KVAJVUYIIRKBFF-UHFFFAOYSA-N 1 3 377.891 3.885 20 0 GHADHO C[C@@H](Cc1ccccn1)[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001256413804 1041723328 /nfs/dbraw/zinc/72/33/28/1041723328.db2.gz BSQJJQWMFMQAOF-REWPJTCUSA-N 1 3 379.548 3.768 20 0 GHADHO FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001462566822 1070371789 /nfs/dbraw/zinc/37/17/89/1070371789.db2.gz PUUJGNDNJSENDX-HAGHYFMRSA-N 1 3 381.486 3.656 20 0 GHADHO FC(F)(F)CN1CCC[C@@H]1CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001462566822 1070371811 /nfs/dbraw/zinc/37/18/11/1070371811.db2.gz PUUJGNDNJSENDX-HAGHYFMRSA-N 1 3 381.486 3.656 20 0 GHADHO FC(F)(F)CN1CCC[C@@H]1CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462566822 1070371825 /nfs/dbraw/zinc/37/18/25/1070371825.db2.gz PUUJGNDNJSENDX-HAGHYFMRSA-N 1 3 381.486 3.656 20 0 GHADHO CN(Cc1cccc(OC(F)(F)F)c1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001237045103 1042005626 /nfs/dbraw/zinc/00/56/26/1042005626.db2.gz XNNKJXDCGACKQO-UHFFFAOYSA-N 1 3 379.426 3.627 20 0 GHADHO [NH3+][C@@H]1CCC12CCN(Cc1cc3c(c(OCc4ccccc4)c1)OCO3)CC2 ZINC001237360248 1042169120 /nfs/dbraw/zinc/16/91/20/1042169120.db2.gz WEPSJDJRPIXTDU-OAQYLSRUSA-N 1 3 380.488 3.698 20 0 GHADHO CCOC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001237480875 1042227266 /nfs/dbraw/zinc/22/72/66/1042227266.db2.gz NSXGXGLSUQOIRA-VWLOTQADSA-N 1 3 392.543 3.890 20 0 GHADHO CCOC(=O)Cc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001237480875 1042227268 /nfs/dbraw/zinc/22/72/68/1042227268.db2.gz NSXGXGLSUQOIRA-VWLOTQADSA-N 1 3 392.543 3.890 20 0 GHADHO CCc1ncc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001237826677 1042389036 /nfs/dbraw/zinc/38/90/36/1042389036.db2.gz XHJPEQLTKMGPKA-LJQANCHMSA-N 1 3 385.577 3.961 20 0 GHADHO CCc1ncc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001237826677 1042389038 /nfs/dbraw/zinc/38/90/38/1042389038.db2.gz XHJPEQLTKMGPKA-LJQANCHMSA-N 1 3 385.577 3.961 20 0 GHADHO CCCCc1ccc(NC(=S)N(CCN(C)C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001239461374 1042832930 /nfs/dbraw/zinc/83/29/30/1042832930.db2.gz NMMINTOBSNXUGP-IBGZPJMESA-N 1 3 376.614 3.650 20 0 GHADHO CN1CCN(Cc2ccc(-c3ccccc3CO[C@H]3CCCC[C@@H]3[NH3+])cc2)CC1 ZINC001240415650 1042927793 /nfs/dbraw/zinc/92/77/93/1042927793.db2.gz ZHIHOLXQHRCMLK-DQEYMECFSA-N 1 3 393.575 3.888 20 0 GHADHO CC[NH+](CC)Cc1ccncc1-c1ccc(C2(N3CCN(C)CC3)CC2)cc1 ZINC001240596558 1042945558 /nfs/dbraw/zinc/94/55/58/1042945558.db2.gz OUXDBEAEUALLKP-UHFFFAOYSA-N 1 3 378.564 3.827 20 0 GHADHO Clc1ccccc1CN1CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256683309 1043619498 /nfs/dbraw/zinc/61/94/98/1043619498.db2.gz WQLXLUCQLKRAKI-UHFFFAOYSA-N 1 3 391.987 3.537 20 0 GHADHO Brc1cccc2c1CC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256684003 1043621218 /nfs/dbraw/zinc/62/12/18/1043621218.db2.gz LCSJHHPFSVWTEP-JFIBYHEFSA-N 1 3 379.342 3.669 20 0 GHADHO Brc1ccc2c(c1)C[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256687251 1043622002 /nfs/dbraw/zinc/62/20/02/1043622002.db2.gz QVCIXDLHADXRON-GPJFCIFZSA-N 1 3 393.369 3.539 20 0 GHADHO Fc1ccc([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CCOCC2)cc1 ZINC001256686214 1043622050 /nfs/dbraw/zinc/62/20/50/1043622050.db2.gz LZQBNZAGLOUMNI-LZBANZJXSA-N 1 3 376.516 3.526 20 0 GHADHO Brc1ccccc1C1([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256686227 1043622305 /nfs/dbraw/zinc/62/23/05/1043622305.db2.gz MMVGIMNCKNIUSF-UHFFFAOYSA-N 1 3 379.342 3.671 20 0 GHADHO Brc1ccc([C@H]2C[C@@H]2[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256688718 1043623922 /nfs/dbraw/zinc/62/39/22/1043623922.db2.gz JHZOQDLMBIIQFF-GMNCBBECSA-N 1 3 379.342 3.538 20 0 GHADHO CC[N@H+](Cc1ccc(Br)cc1)C1CCC(N2CCOCC2)CC1 ZINC001256695676 1043627482 /nfs/dbraw/zinc/62/74/82/1043627482.db2.gz JPYRYKZQFCOBDI-UHFFFAOYSA-N 1 3 381.358 3.914 20 0 GHADHO CC[N@@H+](Cc1ccc(Br)cc1)C1CCC(N2CCOCC2)CC1 ZINC001256695676 1043627489 /nfs/dbraw/zinc/62/74/89/1043627489.db2.gz JPYRYKZQFCOBDI-UHFFFAOYSA-N 1 3 381.358 3.914 20 0 GHADHO COc1ccccc1CC1([NH3+])CCN([C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256798631 1043658189 /nfs/dbraw/zinc/65/81/89/1043658189.db2.gz BDCCRJAGPAKTFE-GGAORHGYSA-N 1 3 380.532 3.951 20 0 GHADHO COc1ccc(Cl)cc1N1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256861942 1043707786 /nfs/dbraw/zinc/70/77/86/1043707786.db2.gz ZZTSKQWWONGGRB-UHFFFAOYSA-N 1 3 386.927 3.535 20 0 GHADHO CC(C)[C@H]1C[C@H]([NH+]2CCC(N(C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206893 1043936924 /nfs/dbraw/zinc/93/69/24/1043936924.db2.gz XFBLGFFYLXWDMJ-WOJBJXKFSA-N 1 3 379.589 3.969 20 0 GHADHO Cc1cc(N2CCN([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C3)CC2)cc[nH+]1 ZINC001257594854 1044078641 /nfs/dbraw/zinc/07/86/41/1044078641.db2.gz PULIHAZUKFHKHZ-OPVJXMOQSA-N 1 3 388.556 3.689 20 0 GHADHO CCOC(=O)[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC001258138024 1044423555 /nfs/dbraw/zinc/42/35/55/1044423555.db2.gz PNMRXTLYMXFVFA-HSZRJFAPSA-N 1 3 380.532 3.630 20 0 GHADHO COc1ccc(CC2([NH3+])CCN(C3CCN(c4cccc(F)c4)CC3)CC2)cc1 ZINC001258417825 1044549524 /nfs/dbraw/zinc/54/95/24/1044549524.db2.gz RQYHASHBFNYZPY-UHFFFAOYSA-N 1 3 397.538 3.839 20 0 GHADHO COc1cc(C[C@@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC001258855771 1044795388 /nfs/dbraw/zinc/79/53/88/1044795388.db2.gz QZBDKPLLORASEA-FGTMMUONSA-N 1 3 378.557 3.601 20 0 GHADHO COc1cc(C[C@@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC001258855771 1044795398 /nfs/dbraw/zinc/79/53/98/1044795398.db2.gz QZBDKPLLORASEA-FGTMMUONSA-N 1 3 378.557 3.601 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001295376480 1044992351 /nfs/dbraw/zinc/99/23/51/1044992351.db2.gz NHSDZRPBDHDXLY-QRVBRYPASA-N 1 3 390.620 3.585 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001296046568 1045233213 /nfs/dbraw/zinc/23/32/13/1045233213.db2.gz UMZRXSOQPBHAEC-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001296046568 1045233229 /nfs/dbraw/zinc/23/32/29/1045233229.db2.gz UMZRXSOQPBHAEC-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001296065639 1045240219 /nfs/dbraw/zinc/24/02/19/1045240219.db2.gz MUMLCESWRGMAGQ-GGAORHGYSA-N 1 3 383.580 3.764 20 0 GHADHO CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001296065639 1045240231 /nfs/dbraw/zinc/24/02/31/1045240231.db2.gz MUMLCESWRGMAGQ-GGAORHGYSA-N 1 3 383.580 3.764 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC001306840490 1048922885 /nfs/dbraw/zinc/92/28/85/1048922885.db2.gz DBIVLPAXVYWMMI-TZYHBYERSA-N 1 3 397.563 3.850 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](CC)[C@@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001307683756 1049504271 /nfs/dbraw/zinc/50/42/71/1049504271.db2.gz KANZFQHUTJDKAS-SIKLNZKXSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](CC)[C@@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001307683756 1049504283 /nfs/dbraw/zinc/50/42/83/1049504283.db2.gz KANZFQHUTJDKAS-SIKLNZKXSA-N 1 3 386.584 3.668 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001307710136 1049525748 /nfs/dbraw/zinc/52/57/48/1049525748.db2.gz LCXJWCWOPSYADP-OAQYLSRUSA-N 1 3 388.502 3.712 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001307710136 1049525763 /nfs/dbraw/zinc/52/57/63/1049525763.db2.gz LCXJWCWOPSYADP-OAQYLSRUSA-N 1 3 388.502 3.712 20 0 GHADHO CC(C)(C)OC(=O)NC[C@]12CN(CCC[NH+]3CCCCC3)C[C@H]1CCCC2 ZINC001308172130 1049899895 /nfs/dbraw/zinc/89/98/95/1049899895.db2.gz CMZHTOWCPJVOSY-DENIHFKCSA-N 1 3 379.589 3.879 20 0 GHADHO COC1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCCC1 ZINC001308758434 1050084821 /nfs/dbraw/zinc/08/48/21/1050084821.db2.gz SROFZCGYECLEID-QHCPKHFHSA-N 1 3 385.596 3.618 20 0 GHADHO COC1(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCCC1 ZINC001308758434 1050084823 /nfs/dbraw/zinc/08/48/23/1050084823.db2.gz SROFZCGYECLEID-QHCPKHFHSA-N 1 3 385.596 3.618 20 0 GHADHO COCc1ccccc1/C=C(\C)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001327777112 1050275582 /nfs/dbraw/zinc/27/55/82/1050275582.db2.gz JSUVQHUBHPZZCY-RCCKNPSSSA-N 1 3 393.575 3.774 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC(NCc3ccccc3)CC2)C1 ZINC001327879357 1050312021 /nfs/dbraw/zinc/31/20/21/1050312021.db2.gz FMXXHGRCYUOGPX-HXUWFJFHSA-N 1 3 387.568 3.888 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC001311492667 1052199876 /nfs/dbraw/zinc/19/98/76/1052199876.db2.gz DDMNMCWIYSFSFX-WOJBJXKFSA-N 1 3 398.595 3.687 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC001311492667 1052199883 /nfs/dbraw/zinc/19/98/83/1052199883.db2.gz DDMNMCWIYSFSFX-WOJBJXKFSA-N 1 3 398.595 3.687 20 0 GHADHO CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001311578870 1052260438 /nfs/dbraw/zinc/26/04/38/1052260438.db2.gz UQLQMCBNQQOPQB-QFIPXVFZSA-N 1 3 398.595 3.701 20 0 GHADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001311765648 1052383026 /nfs/dbraw/zinc/38/30/26/1052383026.db2.gz NQZYMMVAMIBAJC-JOCHJYFZSA-N 1 3 386.584 3.649 20 0 GHADHO CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCN(C)C1 ZINC001312268521 1052670746 /nfs/dbraw/zinc/67/07/46/1052670746.db2.gz SUNIUHXBCDIJOU-BVSLBCMMSA-N 1 3 388.600 3.878 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001312995760 1052929576 /nfs/dbraw/zinc/92/95/76/1052929576.db2.gz ZRTSERJCPVUDEG-PGRDOPGGSA-N 1 3 399.583 3.677 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001312995760 1052929583 /nfs/dbraw/zinc/92/95/83/1052929583.db2.gz ZRTSERJCPVUDEG-PGRDOPGGSA-N 1 3 399.583 3.677 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cccc(OC(F)F)c1 ZINC001319392922 1055224476 /nfs/dbraw/zinc/22/44/76/1055224476.db2.gz GRMDOVCMLGNLEA-KRWDZBQOSA-N 1 3 389.490 3.886 20 0 GHADHO CN(C)CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001354963398 1056997296 /nfs/dbraw/zinc/99/72/96/1056997296.db2.gz XCVQEMJHIYPDIL-XMMPIXPASA-N 1 3 393.575 3.532 20 0 GHADHO CN(C)CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001354963398 1056997297 /nfs/dbraw/zinc/99/72/97/1056997297.db2.gz XCVQEMJHIYPDIL-XMMPIXPASA-N 1 3 393.575 3.532 20 0 GHADHO CC(C)OCc1ccccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849059736 1057570121 /nfs/dbraw/zinc/57/01/21/1057570121.db2.gz IRBVLOJFUCFHDZ-UHFFFAOYSA-N 1 3 394.563 3.890 20 0 GHADHO [NH2+]=C(NCc1cc2c(s1)CCCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000849071193 1057581090 /nfs/dbraw/zinc/58/10/90/1057581090.db2.gz RXWYAVUXXBSULJ-UHFFFAOYSA-N 1 3 382.577 3.905 20 0 GHADHO [NH2+]=C(NC1CC(OCc2ccccc2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849086256 1057587918 /nfs/dbraw/zinc/58/79/18/1057587918.db2.gz FNSRSNFBBQCHKY-UHFFFAOYSA-N 1 3 392.547 3.513 20 0 GHADHO [NH2+]=C(NCC1(c2cccc(F)c2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849092270 1057591941 /nfs/dbraw/zinc/59/19/41/1057591941.db2.gz SFZKBWUYDKNEPE-UHFFFAOYSA-N 1 3 380.511 3.636 20 0 GHADHO C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001338611644 1058679657 /nfs/dbraw/zinc/67/96/57/1058679657.db2.gz MKNRMPDJBPFMBU-IBGZPJMESA-N 1 3 386.565 3.811 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC001442596111 1058981468 /nfs/dbraw/zinc/98/14/68/1058981468.db2.gz URINLLRMVXBMET-RPWUZVMVSA-N 1 3 391.559 3.770 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC001442596111 1058981472 /nfs/dbraw/zinc/98/14/72/1058981472.db2.gz URINLLRMVXBMET-RPWUZVMVSA-N 1 3 391.559 3.770 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001342111813 1061062575 /nfs/dbraw/zinc/06/25/75/1061062575.db2.gz NAGMZOIUOYYSSH-UHFFFAOYSA-N 1 3 395.572 3.621 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC001454542348 1061828198 /nfs/dbraw/zinc/82/81/98/1061828198.db2.gz RYIFXJZPHBSKAC-LJQANCHMSA-N 1 3 393.453 3.800 20 0 GHADHO C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC001454918498 1061955768 /nfs/dbraw/zinc/95/57/68/1061955768.db2.gz DRUUOOPBXICWLG-SCCNAQOGSA-N 1 3 393.522 3.523 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(C)C)CC2)CC1 ZINC001459529005 1064121170 /nfs/dbraw/zinc/12/11/70/1064121170.db2.gz ZQETXBVGIRXKIB-OAQYLSRUSA-N 1 3 385.596 3.834 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001465515740 1065682431 /nfs/dbraw/zinc/68/24/31/1065682431.db2.gz RMZXRIMLYUOETH-XMSQKQJNSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001465515740 1065682436 /nfs/dbraw/zinc/68/24/36/1065682436.db2.gz RMZXRIMLYUOETH-XMSQKQJNSA-N 1 3 390.531 3.931 20 0 GHADHO CN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001465743994 1065824560 /nfs/dbraw/zinc/82/45/60/1065824560.db2.gz AMJNEUJJNZARAY-GOTSBHOMSA-N 1 3 379.548 3.802 20 0 GHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc2[nH]ccc2c1 ZINC000847879174 1066321724 /nfs/dbraw/zinc/32/17/24/1066321724.db2.gz MZONWDIJHFBKTJ-UHFFFAOYSA-N 1 3 382.552 3.717 20 0 GHADHO CCC(CC)[C@@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)[NH+]1CCCC1 ZINC001467943751 1067539944 /nfs/dbraw/zinc/53/99/44/1067539944.db2.gz SEUBMUFGORKROT-FCHUYYIVSA-N 1 3 388.600 3.798 20 0 GHADHO CC(C)(CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC001468008603 1067562790 /nfs/dbraw/zinc/56/27/90/1067562790.db2.gz VHJVCNOKKNINCA-OAQYLSRUSA-N 1 3 386.584 3.777 20 0 GHADHO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC001468871464 1067914106 /nfs/dbraw/zinc/91/41/06/1067914106.db2.gz DFAJOJDXSBAPTR-QHCPKHFHSA-N 1 3 398.595 3.874 20 0 GHADHO COc1cccc([C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)c1 ZINC001460668170 1069071873 /nfs/dbraw/zinc/07/18/73/1069071873.db2.gz RXZPFQABGKZFJI-XMMPIXPASA-N 1 3 379.548 3.828 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001478984092 1079051258 /nfs/dbraw/zinc/05/12/58/1079051258.db2.gz IYPICPIRWRISPQ-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001478984092 1079051262 /nfs/dbraw/zinc/05/12/62/1079051262.db2.gz IYPICPIRWRISPQ-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)N(C)Cc1ccccc1 ZINC001472509812 1073522778 /nfs/dbraw/zinc/52/27/78/1073522778.db2.gz YWKXSYVSJJQUKQ-WMZHIEFXSA-N 1 3 379.548 3.746 20 0 GHADHO C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)N(C)Cc1ccccc1 ZINC001472509812 1073522787 /nfs/dbraw/zinc/52/27/87/1073522787.db2.gz YWKXSYVSJJQUKQ-WMZHIEFXSA-N 1 3 379.548 3.746 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CCC3)CC2)CC1 ZINC001473743431 1074119745 /nfs/dbraw/zinc/11/97/45/1074119745.db2.gz SMUXAGHPUSFZCM-JOCHJYFZSA-N 1 3 397.607 3.978 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC001473979061 1074224132 /nfs/dbraw/zinc/22/41/32/1074224132.db2.gz LBKKYMBRJXAOFE-SFHVURJKSA-N 1 3 393.531 3.531 20 0 GHADHO C[NH+](C)CCOc1ccc(CCNCc2cccc(F)c2Br)cc1 ZINC001473993670 1074228431 /nfs/dbraw/zinc/22/84/31/1074228431.db2.gz JVYHWUYLIRQJHF-UHFFFAOYSA-N 1 3 395.316 3.861 20 0 GHADHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1-n1cncn1 ZINC001474036175 1074243411 /nfs/dbraw/zinc/24/34/11/1074243411.db2.gz VDHAYGOCTAWKAE-UGKGYDQZSA-N 1 3 375.520 3.718 20 0 GHADHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1-n1cncn1 ZINC001474036175 1074243417 /nfs/dbraw/zinc/24/34/17/1074243417.db2.gz VDHAYGOCTAWKAE-UGKGYDQZSA-N 1 3 375.520 3.718 20 0 GHADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3nccn3C3CC3)cc2)C[C@H]1C ZINC001474093180 1074260916 /nfs/dbraw/zinc/26/09/16/1074260916.db2.gz ZMOAIOAVVUXFSZ-RTBURBONSA-N 1 3 382.552 3.517 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001474646318 1074497477 /nfs/dbraw/zinc/49/74/77/1074497477.db2.gz YGFSBPAHTFDQTQ-IPMKNSEASA-N 1 3 377.573 3.534 20 0 GHADHO C[C@@H]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CCN1Cc1ccccc1 ZINC000471386726 837461609 /nfs/dbraw/zinc/46/16/09/837461609.db2.gz WLICDVHUWQHLDY-OAQYLSRUSA-N 1 3 391.559 3.558 20 0 GHADHO C[C@@H]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CCN1Cc1ccccc1 ZINC000471386726 837461618 /nfs/dbraw/zinc/46/16/18/837461618.db2.gz WLICDVHUWQHLDY-OAQYLSRUSA-N 1 3 391.559 3.558 20 0 GHADHO [NH3+]C[C@H]1CN(Cc2ccc(OCc3cccc(F)c3)cc2)CC12CCOCC2 ZINC000647545212 837478772 /nfs/dbraw/zinc/47/87/72/837478772.db2.gz SEXGZOQSLKCYKX-FQEVSTJZSA-N 1 3 384.495 3.592 20 0 GHADHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000176917460 837596020 /nfs/dbraw/zinc/59/60/20/837596020.db2.gz BEPYVWMZJCGQIG-NRSPTQNISA-N 1 3 388.577 3.611 20 0 GHADHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000176917460 837596024 /nfs/dbraw/zinc/59/60/24/837596024.db2.gz BEPYVWMZJCGQIG-NRSPTQNISA-N 1 3 388.577 3.611 20 0 GHADHO Cc1cc2c(c(C)c1)[C@@H](NCc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000655710781 837704583 /nfs/dbraw/zinc/70/45/83/837704583.db2.gz FFJDTOZFUPNQEV-GOTSBHOMSA-N 1 3 391.559 3.778 20 0 GHADHO Cc1cc2c(c(C)c1)[C@@H](NCc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000655710781 837704591 /nfs/dbraw/zinc/70/45/91/837704591.db2.gz FFJDTOZFUPNQEV-GOTSBHOMSA-N 1 3 391.559 3.778 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CC3CC3)c3ccccc3)CC2)CC1 ZINC000654833285 834642541 /nfs/dbraw/zinc/64/25/41/834642541.db2.gz DMBXPVASMJOENS-HSZRJFAPSA-N 1 3 383.580 3.840 20 0 GHADHO CN(c1ccccc1CN(CCCO)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000093102149 834696975 /nfs/dbraw/zinc/69/69/75/834696975.db2.gz RUSFVMFFFXBFSH-UHFFFAOYSA-N 1 3 381.564 3.602 20 0 GHADHO CCOc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1OCC(C)C ZINC000650721918 834698360 /nfs/dbraw/zinc/69/83/60/834698360.db2.gz FUPUUPXVNWEDJA-TUNNFDKTSA-N 1 3 390.568 3.981 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000093844265 834707111 /nfs/dbraw/zinc/70/71/11/834707111.db2.gz WMSJARJNXWPAOR-CALCHBBNSA-N 1 3 388.581 3.850 20 0 GHADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000093844265 834707117 /nfs/dbraw/zinc/70/71/17/834707117.db2.gz WMSJARJNXWPAOR-CALCHBBNSA-N 1 3 388.581 3.850 20 0 GHADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000093844265 834707122 /nfs/dbraw/zinc/70/71/22/834707122.db2.gz WMSJARJNXWPAOR-CALCHBBNSA-N 1 3 388.581 3.850 20 0 GHADHO C[C@@H](NCc1cccc(CN2CCCC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000153918983 834744698 /nfs/dbraw/zinc/74/46/98/834744698.db2.gz BZLVOFOKRYELTE-LJQANCHMSA-N 1 3 395.547 3.600 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1)CC(C)C ZINC000685462659 835029014 /nfs/dbraw/zinc/02/90/14/835029014.db2.gz SAYQFOVFOHTMIP-UHFFFAOYSA-N 1 3 395.613 3.638 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1)CC(C)C ZINC000685462659 835029023 /nfs/dbraw/zinc/02/90/23/835029023.db2.gz SAYQFOVFOHTMIP-UHFFFAOYSA-N 1 3 395.613 3.638 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccs4)CCCCC3)CC2)CC1 ZINC000157740419 835078935 /nfs/dbraw/zinc/07/89/35/835078935.db2.gz HFVOOBCQAHZTGF-UHFFFAOYSA-N 1 3 389.609 3.625 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccsc1 ZINC000500810017 844033052 /nfs/dbraw/zinc/03/30/52/844033052.db2.gz PNXDQJJZQMNHRI-FQEVSTJZSA-N 1 3 394.629 3.894 20 0 GHADHO Fc1ccc([C@@H](NCC2CC[NH+](C3CCOCC3)CC2)c2cccnc2)cc1 ZINC000658069826 835409940 /nfs/dbraw/zinc/40/99/40/835409940.db2.gz JAIZFMIRSFJHTF-HSZRJFAPSA-N 1 3 383.511 3.791 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137768 835462522 /nfs/dbraw/zinc/46/25/22/835462522.db2.gz IHSVWNJOMMNRBT-KXBFYZLASA-N 1 3 376.447 3.705 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137768 835462527 /nfs/dbraw/zinc/46/25/27/835462527.db2.gz IHSVWNJOMMNRBT-KXBFYZLASA-N 1 3 376.447 3.705 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000658166145 835482286 /nfs/dbraw/zinc/48/22/86/835482286.db2.gz MTXRZUNODXGZRE-HXUWFJFHSA-N 1 3 389.547 3.889 20 0 GHADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000584107216 835655162 /nfs/dbraw/zinc/65/51/62/835655162.db2.gz VFXGMXTUPXPRLQ-QPPBQGQZSA-N 1 3 388.515 3.835 20 0 GHADHO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000612407640 836175371 /nfs/dbraw/zinc/17/53/71/836175371.db2.gz WJITZGUMIPNKSE-CTNGQTDRSA-N 1 3 396.531 3.801 20 0 GHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000513052679 844158241 /nfs/dbraw/zinc/15/82/41/844158241.db2.gz VMUXAKWPUYQQCA-FQEVSTJZSA-N 1 3 384.593 3.973 20 0 GHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000513052679 844158244 /nfs/dbraw/zinc/15/82/44/844158244.db2.gz VMUXAKWPUYQQCA-FQEVSTJZSA-N 1 3 384.593 3.973 20 0 GHADHO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCCN3CCCC3)cc1)[C@H](C)C2 ZINC000180905728 844227799 /nfs/dbraw/zinc/22/77/99/844227799.db2.gz KJHIYFKNZLLWAM-DVECYGJZSA-N 1 3 391.559 3.844 20 0 GHADHO CNC(=O)c1cccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535675059 844296789 /nfs/dbraw/zinc/29/67/89/844296789.db2.gz JHEQEDJSEDBTQL-UHFFFAOYSA-N 1 3 377.532 3.534 20 0 GHADHO CNC(=O)c1cccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535675059 844296796 /nfs/dbraw/zinc/29/67/96/844296796.db2.gz JHEQEDJSEDBTQL-UHFFFAOYSA-N 1 3 377.532 3.534 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000415955331 838316872 /nfs/dbraw/zinc/31/68/72/838316872.db2.gz MTWSDVWBGLZNAV-UHFFFAOYSA-N 1 3 390.478 3.670 20 0 GHADHO [NH3+]Cc1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000415974062 838332673 /nfs/dbraw/zinc/33/26/73/838332673.db2.gz RBVZMXKJNWHVAO-QGZVFWFLSA-N 1 3 392.425 3.560 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000415997343 838375322 /nfs/dbraw/zinc/37/53/22/838375322.db2.gz PDWNQUOFLITFSD-DEOSSOPVSA-N 1 3 390.531 3.810 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000415997343 838375329 /nfs/dbraw/zinc/37/53/29/838375329.db2.gz PDWNQUOFLITFSD-DEOSSOPVSA-N 1 3 390.531 3.810 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000656010038 838448969 /nfs/dbraw/zinc/44/89/69/838448969.db2.gz LQUGOUHPUIPBIB-NRFANRHFSA-N 1 3 386.584 3.559 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3ccc4ncccc4c3)CC2)cc1 ZINC000513082823 844344223 /nfs/dbraw/zinc/34/42/23/844344223.db2.gz YPMAIKCEQRFRIT-UHFFFAOYSA-N 1 3 388.559 3.922 20 0 GHADHO CC(C)[N@H+](C)CC1CCN([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405472 838692287 /nfs/dbraw/zinc/69/22/87/838692287.db2.gz SPHZRSZJQYKFCX-UWJYYQICSA-N 1 3 375.532 3.540 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405472 838692291 /nfs/dbraw/zinc/69/22/91/838692291.db2.gz SPHZRSZJQYKFCX-UWJYYQICSA-N 1 3 375.532 3.540 20 0 GHADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734879 839185214 /nfs/dbraw/zinc/18/52/14/839185214.db2.gz IYUAZTAZQLDYAC-APWZRJJASA-N 1 3 385.474 3.545 20 0 GHADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734879 839185222 /nfs/dbraw/zinc/18/52/22/839185222.db2.gz IYUAZTAZQLDYAC-APWZRJJASA-N 1 3 385.474 3.545 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)cc1CN1CCCCC1 ZINC000183096348 839222752 /nfs/dbraw/zinc/22/27/52/839222752.db2.gz VTGRCCFFIOYYNO-LVCYWYKZSA-N 1 3 376.541 3.526 20 0 GHADHO C[C@H](CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)c1cccc(Br)c1 ZINC000415116527 839227537 /nfs/dbraw/zinc/22/75/37/839227537.db2.gz BOIZQNOEKKARNT-CCKFTAQKSA-N 1 3 381.358 3.771 20 0 GHADHO Cc1nn(-c2cccc(Br)c2)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000656251923 839801871 /nfs/dbraw/zinc/80/18/71/839801871.db2.gz PTYCMZZKRRYGGE-UHFFFAOYSA-N 1 3 391.357 3.717 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000564843600 840061498 /nfs/dbraw/zinc/06/14/98/840061498.db2.gz BEDZWDUEDXLVCY-HNNXBMFYSA-N 1 3 375.340 3.586 20 0 GHADHO C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000759859381 840230733 /nfs/dbraw/zinc/23/07/33/840230733.db2.gz ROEXTKJCKTUJHU-UTKZUKDTSA-N 1 3 376.903 3.966 20 0 GHADHO C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000759859381 840230745 /nfs/dbraw/zinc/23/07/45/840230745.db2.gz ROEXTKJCKTUJHU-UTKZUKDTSA-N 1 3 376.903 3.966 20 0 GHADHO C[C@@H](C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(F)cc1 ZINC000127946337 840623175 /nfs/dbraw/zinc/62/31/75/840623175.db2.gz CXFRKJHKBWONTB-SFHVURJKSA-N 1 3 383.511 3.545 20 0 GHADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000093016207 840855173 /nfs/dbraw/zinc/85/51/73/840855173.db2.gz FYGMKQANAFVXDH-UHFFFAOYSA-N 1 3 386.609 3.809 20 0 GHADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000093016207 840855183 /nfs/dbraw/zinc/85/51/83/840855183.db2.gz FYGMKQANAFVXDH-UHFFFAOYSA-N 1 3 386.609 3.809 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000312593517 841209202 /nfs/dbraw/zinc/20/92/02/841209202.db2.gz DVPNTIWEBKPWPU-YLJYHZDGSA-N 1 3 378.438 3.851 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000312593517 841209214 /nfs/dbraw/zinc/20/92/14/841209214.db2.gz DVPNTIWEBKPWPU-YLJYHZDGSA-N 1 3 378.438 3.851 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001167458821 841273832 /nfs/dbraw/zinc/27/38/32/841273832.db2.gz YQSZTRXYIPQTQH-HXUWFJFHSA-N 1 3 379.589 3.831 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CCC(C[NH2+]CC)CC1)c1ccc(Cl)cc1 ZINC000418186031 841621339 /nfs/dbraw/zinc/62/13/39/841621339.db2.gz RKGKPLBXCSFGQF-HXUWFJFHSA-N 1 3 394.991 3.754 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001167827038 842064012 /nfs/dbraw/zinc/06/40/12/842064012.db2.gz RRIVQMKRKWEIJC-YOUFYPILSA-N 1 3 395.613 3.650 20 0 GHADHO CN(C)Cc1ccc(-c2noc(CC3(c4ccccc4F)CC[NH2+]CC3)n2)cc1 ZINC001211517810 842073078 /nfs/dbraw/zinc/07/30/78/842073078.db2.gz JZGJVNXDKJJIMU-UHFFFAOYSA-N 1 3 394.494 3.801 20 0 GHADHO C[C@@H]1CN(CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCO1 ZINC000432369602 842221628 /nfs/dbraw/zinc/22/16/28/842221628.db2.gz QZFVXWOVTMXAQM-CQSZACIVSA-N 1 3 385.335 3.860 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2cc(C)nn2-c2ccccc2)CC1 ZINC001167841841 842423111 /nfs/dbraw/zinc/42/31/11/842423111.db2.gz SGDSTUPMRNHQAR-NRFANRHFSA-N 1 3 383.584 3.813 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512178923 842773654 /nfs/dbraw/zinc/77/36/54/842773654.db2.gz KCTRUWDDZIUKPQ-RTBURBONSA-N 1 3 396.579 3.810 20 0 GHADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000471851067 842845152 /nfs/dbraw/zinc/84/51/52/842845152.db2.gz OTFRRIWPIYWJMI-KNQAVFIVSA-N 1 3 383.511 3.826 20 0 GHADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000471851067 842845158 /nfs/dbraw/zinc/84/51/58/842845158.db2.gz OTFRRIWPIYWJMI-KNQAVFIVSA-N 1 3 383.511 3.826 20 0 GHADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1CCC(=O)Nc1ccccc1F ZINC000471851067 842845171 /nfs/dbraw/zinc/84/51/71/842845171.db2.gz OTFRRIWPIYWJMI-KNQAVFIVSA-N 1 3 383.511 3.826 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC001167492975 843061142 /nfs/dbraw/zinc/06/11/42/843061142.db2.gz VFKDREWPWLQVGI-VXNXHJTFSA-N 1 3 393.575 3.982 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC001167492975 843061149 /nfs/dbraw/zinc/06/11/49/843061149.db2.gz VFKDREWPWLQVGI-VXNXHJTFSA-N 1 3 393.575 3.982 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000555598387 861382210 /nfs/dbraw/zinc/38/22/10/861382210.db2.gz RSRDPTDDARNNGO-LJQANCHMSA-N 1 3 381.358 3.808 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000555598387 861382222 /nfs/dbraw/zinc/38/22/22/861382222.db2.gz RSRDPTDDARNNGO-LJQANCHMSA-N 1 3 381.358 3.808 20 0 GHADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)cc21 ZINC000662375054 843175362 /nfs/dbraw/zinc/17/53/62/843175362.db2.gz QNNBUMGIRROFPQ-FYYLOGMGSA-N 1 3 377.532 3.632 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662382090 843179887 /nfs/dbraw/zinc/17/98/87/843179887.db2.gz MAEQIHAIEYOKMP-QFIPXVFZSA-N 1 3 391.559 3.722 20 0 GHADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000662448511 843262890 /nfs/dbraw/zinc/26/28/90/843262890.db2.gz CEYVINUUJXPYOJ-JOCHJYFZSA-N 1 3 397.950 3.903 20 0 GHADHO O[C@@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)Cc1ccc(F)cc1 ZINC000663368643 843330569 /nfs/dbraw/zinc/33/05/69/843330569.db2.gz LWFQWBHRKNQSJP-JTHBVZDNSA-N 1 3 382.523 3.621 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662503881 843349101 /nfs/dbraw/zinc/34/91/01/843349101.db2.gz XPQNUIUKCAKXGS-OEMFJLHTSA-N 1 3 389.543 3.734 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503881 843349118 /nfs/dbraw/zinc/34/91/18/843349118.db2.gz XPQNUIUKCAKXGS-OEMFJLHTSA-N 1 3 389.543 3.734 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000165298014 843357101 /nfs/dbraw/zinc/35/71/01/843357101.db2.gz IJOLCHHKJZWWAY-FPOVZHCZSA-N 1 3 393.531 3.858 20 0 GHADHO CN1CC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)[C@@H]1c1ccccc1 ZINC000536233662 843915263 /nfs/dbraw/zinc/91/52/63/843915263.db2.gz QLIDVWAGQDCTEA-PUHATCMVSA-N 1 3 398.595 3.729 20 0 GHADHO c1c2ccccc2oc1CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512701140 845088077 /nfs/dbraw/zinc/08/80/77/845088077.db2.gz JBHDIJDMSBLGTH-HXUWFJFHSA-N 1 3 390.531 3.862 20 0 GHADHO C[C@@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236660099 845164469 /nfs/dbraw/zinc/16/44/69/845164469.db2.gz FGIMXQKOTBQXPX-PKOBYXMFSA-N 1 3 377.598 3.663 20 0 GHADHO C[C@H](C(=O)N1CCc2ccccc21)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388320 861558780 /nfs/dbraw/zinc/55/87/80/861558780.db2.gz FSMDXVMBCLNSLA-LJQANCHMSA-N 1 3 392.547 3.598 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@@H](C)C1 ZINC000249300405 845532814 /nfs/dbraw/zinc/53/28/14/845532814.db2.gz NKQIHRULUSSMOK-JTSKRJEESA-N 1 3 398.547 3.508 20 0 GHADHO CCn1nc(CNCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000472048581 845587639 /nfs/dbraw/zinc/58/76/39/845587639.db2.gz RFOICFVLTCMJIT-RTBURBONSA-N 1 3 392.547 3.955 20 0 GHADHO CCn1nc(CNCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC000472050099 845589442 /nfs/dbraw/zinc/58/94/42/845589442.db2.gz UYGQCAKEGDVEOX-KDURUIRLSA-N 1 3 392.547 3.955 20 0 GHADHO CCn1nc(CNCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC000472050099 845589450 /nfs/dbraw/zinc/58/94/50/845589450.db2.gz UYGQCAKEGDVEOX-KDURUIRLSA-N 1 3 392.547 3.955 20 0 GHADHO CCn1nc(CNCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC000472050099 845589452 /nfs/dbraw/zinc/58/94/52/845589452.db2.gz UYGQCAKEGDVEOX-KDURUIRLSA-N 1 3 392.547 3.955 20 0 GHADHO CCn1nc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC000472050099 845589460 /nfs/dbraw/zinc/58/94/60/845589460.db2.gz UYGQCAKEGDVEOX-KDURUIRLSA-N 1 3 392.547 3.955 20 0 GHADHO CC(C)CN(C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000433173287 845596918 /nfs/dbraw/zinc/59/69/18/845596918.db2.gz GCBBNUSGUFLWRF-UHFFFAOYSA-N 1 3 383.580 3.622 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472144163 846159779 /nfs/dbraw/zinc/15/97/79/846159779.db2.gz MZYFVNIMDVWDOM-OALUTQOASA-N 1 3 385.552 3.551 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3c(OC)ccc4ccccc43)CC2)CC1 ZINC000421380843 846190494 /nfs/dbraw/zinc/19/04/94/846190494.db2.gz WHPQLRQIFAIODM-UHFFFAOYSA-N 1 3 381.564 3.840 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3c(OC)ccc4ccccc43)CC2)CC1 ZINC000421380843 846190499 /nfs/dbraw/zinc/19/04/99/846190499.db2.gz WHPQLRQIFAIODM-UHFFFAOYSA-N 1 3 381.564 3.840 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000421381900 846199121 /nfs/dbraw/zinc/19/91/21/846199121.db2.gz XKDJWFJKIGDAGW-UHFFFAOYSA-N 1 3 375.504 3.759 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000421381900 846199123 /nfs/dbraw/zinc/19/91/23/846199123.db2.gz XKDJWFJKIGDAGW-UHFFFAOYSA-N 1 3 375.504 3.759 20 0 GHADHO CNC(=O)c1ccc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513678421 846225021 /nfs/dbraw/zinc/22/50/21/846225021.db2.gz MYSXPXBGJGRTKT-KMDXXIMOSA-N 1 3 391.559 3.827 20 0 GHADHO CNC(=O)c1ccc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513678421 846225029 /nfs/dbraw/zinc/22/50/29/846225029.db2.gz MYSXPXBGJGRTKT-KMDXXIMOSA-N 1 3 391.559 3.827 20 0 GHADHO OC1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CCN(Cc2ccccc2)CC1 ZINC000414545238 846472481 /nfs/dbraw/zinc/47/24/81/846472481.db2.gz FEQJLCWLABEJSB-UHFFFAOYSA-N 1 3 396.428 3.961 20 0 GHADHO CCSc1cccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414549731 846543274 /nfs/dbraw/zinc/54/32/74/846543274.db2.gz BVKWTYDDKDOOHL-UHFFFAOYSA-N 1 3 397.588 3.786 20 0 GHADHO C[C@@H]1CC(N2CC[C@]3(CCN3c3ncccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044562 861718057 /nfs/dbraw/zinc/71/80/57/861718057.db2.gz FNUJQAOHKGTRHH-REHUZNOOSA-N 1 3 391.563 3.573 20 0 GHADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1C(F)(F)F ZINC000414426590 846795738 /nfs/dbraw/zinc/79/57/38/846795738.db2.gz HRVOPHLZVYMHEQ-LJQANCHMSA-N 1 3 378.438 3.870 20 0 GHADHO Cc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1C(F)(F)F ZINC000414426590 846795748 /nfs/dbraw/zinc/79/57/48/846795748.db2.gz HRVOPHLZVYMHEQ-LJQANCHMSA-N 1 3 378.438 3.870 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCN(C)Cc1ccccc1)c1ccccc1 ZINC000503093061 846806264 /nfs/dbraw/zinc/80/62/64/846806264.db2.gz WUMFKSRXFZRHRW-LJQANCHMSA-N 1 3 382.552 3.547 20 0 GHADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000501663268 847083596 /nfs/dbraw/zinc/08/35/96/847083596.db2.gz AUSQKLSTLHGSRZ-NHCUHLMSSA-N 1 3 397.567 3.744 20 0 GHADHO [NH3+]C[C@@H](NCCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCCCC1 ZINC000420356951 847137352 /nfs/dbraw/zinc/13/73/52/847137352.db2.gz CZWZJNCPYLWDOH-DENIHFKCSA-N 1 3 385.577 3.841 20 0 GHADHO C[C@H](Nc1ccccc1CN1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272753666 847163522 /nfs/dbraw/zinc/16/35/22/847163522.db2.gz KDCUMNMFJTWBKA-UNMCSNQZSA-N 1 3 393.575 3.966 20 0 GHADHO C[C@H](Nc1ccccc1CN1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272753666 847163529 /nfs/dbraw/zinc/16/35/29/847163529.db2.gz KDCUMNMFJTWBKA-UNMCSNQZSA-N 1 3 393.575 3.966 20 0 GHADHO C[C@H](Nc1ccccc1CN1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272753662 847163592 /nfs/dbraw/zinc/16/35/92/847163592.db2.gz KDCUMNMFJTWBKA-RBBKRZOGSA-N 1 3 393.575 3.966 20 0 GHADHO C[C@H](Nc1ccccc1CN1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272753662 847163600 /nfs/dbraw/zinc/16/36/00/847163600.db2.gz KDCUMNMFJTWBKA-RBBKRZOGSA-N 1 3 393.575 3.966 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(OC)c(OC)c1 ZINC000272761594 847164343 /nfs/dbraw/zinc/16/43/43/847164343.db2.gz QHUBYGJGWUTOSY-VXKWHMMOSA-N 1 3 398.547 3.901 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(OC)c(OC)c1 ZINC000272761594 847164350 /nfs/dbraw/zinc/16/43/50/847164350.db2.gz QHUBYGJGWUTOSY-VXKWHMMOSA-N 1 3 398.547 3.901 20 0 GHADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000501800076 847200098 /nfs/dbraw/zinc/20/00/98/847200098.db2.gz JCDAKNVVEKSLJW-RBUKOAKNSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000501826595 847215530 /nfs/dbraw/zinc/21/55/30/847215530.db2.gz KAWHMNJKSILNRO-IKLNAOFOSA-N 1 3 386.584 3.630 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000501826595 847215538 /nfs/dbraw/zinc/21/55/38/847215538.db2.gz KAWHMNJKSILNRO-IKLNAOFOSA-N 1 3 386.584 3.630 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3nc(-c4ccccc4)oc3C)CC2)CC1 ZINC000420999703 847621426 /nfs/dbraw/zinc/62/14/26/847621426.db2.gz CQAWPPSHBZEUJZ-UHFFFAOYSA-N 1 3 382.552 3.642 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3nc(-c4ccccc4)oc3C)CC2)CC1 ZINC000420999703 847621431 /nfs/dbraw/zinc/62/14/31/847621431.db2.gz CQAWPPSHBZEUJZ-UHFFFAOYSA-N 1 3 382.552 3.642 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3nc(-c4ccccc4)oc3C)CC2)CC1 ZINC000420999703 847621439 /nfs/dbraw/zinc/62/14/39/847621439.db2.gz CQAWPPSHBZEUJZ-UHFFFAOYSA-N 1 3 382.552 3.642 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422703963 847775677 /nfs/dbraw/zinc/77/56/77/847775677.db2.gz JMKNNJSEGVDNLQ-HOCLYGCPSA-N 1 3 389.341 3.541 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000422738849 847804797 /nfs/dbraw/zinc/80/47/97/847804797.db2.gz ZOAVWZRUEPAWFC-FDDCHVKYSA-N 1 3 380.580 3.972 20 0 GHADHO CCCC(=O)Nc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422876350 847863723 /nfs/dbraw/zinc/86/37/23/847863723.db2.gz GFYYIBYLCZBYTM-NZQKXSOJSA-N 1 3 379.504 3.771 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000684953095 847880620 /nfs/dbraw/zinc/88/06/20/847880620.db2.gz HJCMYJGXVHURPJ-HSZRJFAPSA-N 1 3 378.564 3.647 20 0 GHADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000422893132 847886873 /nfs/dbraw/zinc/88/68/73/847886873.db2.gz OXWPCIRVPCKIHW-WFASDCNBSA-N 1 3 398.370 3.977 20 0 GHADHO CCO[C@@H](CN1CCC[C@@]2(CCC[N@H+](C[C@@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434260 861875153 /nfs/dbraw/zinc/87/51/53/861875153.db2.gz LGAIBVDFPMFQQG-XPWALMASSA-N 1 3 378.601 3.795 20 0 GHADHO CCO[C@@H](CN1CCC[C@@]2(CCC[N@@H+](C[C@@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434260 861875171 /nfs/dbraw/zinc/87/51/71/861875171.db2.gz LGAIBVDFPMFQQG-XPWALMASSA-N 1 3 378.601 3.795 20 0 GHADHO CCO[C@@H](C[N@H+]1CCC[C@@]2(CCCN(C[C@@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434260 861875191 /nfs/dbraw/zinc/87/51/91/861875191.db2.gz LGAIBVDFPMFQQG-XPWALMASSA-N 1 3 378.601 3.795 20 0 GHADHO CCO[C@@H](C[N@@H+]1CCC[C@@]2(CCCN(C[C@@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434260 861875210 /nfs/dbraw/zinc/87/52/10/861875210.db2.gz LGAIBVDFPMFQQG-XPWALMASSA-N 1 3 378.601 3.795 20 0 GHADHO Brc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000657612272 848324423 /nfs/dbraw/zinc/32/44/23/848324423.db2.gz LHDYISYTBXDXRZ-UHFFFAOYSA-N 1 3 380.355 3.907 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613305 848327225 /nfs/dbraw/zinc/32/72/25/848327225.db2.gz XQQBVXNVJXTIGU-HYBUGGRVSA-N 1 3 378.564 3.719 20 0 GHADHO COc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1OC(F)F ZINC000657613013 848328671 /nfs/dbraw/zinc/32/86/71/848328671.db2.gz UMGMFVFJHHGJKP-UHFFFAOYSA-N 1 3 391.462 3.693 20 0 GHADHO COc1cc2cccnc2c(N(c2ccc(CN(C)C)cn2)[C@@H](C)CCC[NH3+])c1 ZINC001167614573 848345423 /nfs/dbraw/zinc/34/54/23/848345423.db2.gz XQQNCKWMZAWNAZ-KRWDZBQOSA-N 1 3 393.535 3.966 20 0 GHADHO C[C@@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000604170995 861923670 /nfs/dbraw/zinc/92/36/70/861923670.db2.gz HVKIGDZJZLEGCJ-RZUBCFFCSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000604170995 861923679 /nfs/dbraw/zinc/92/36/79/861923679.db2.gz HVKIGDZJZLEGCJ-RZUBCFFCSA-N 1 3 386.584 3.776 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000604202147 861940577 /nfs/dbraw/zinc/94/05/77/861940577.db2.gz PZIYDLVGXNZPMK-PKTZIBPZSA-N 1 3 398.595 3.874 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000481650658 861950469 /nfs/dbraw/zinc/95/04/69/861950469.db2.gz OFHPYSIUCOYTLW-QHCPKHFHSA-N 1 3 392.547 3.538 20 0 GHADHO CC(C)[C@@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000604193861 861957415 /nfs/dbraw/zinc/95/74/15/861957415.db2.gz ZOPCWMSQCTWFDZ-FCHUYYIVSA-N 1 3 386.584 3.633 20 0 GHADHO COC(=O)c1cccc(OCCN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC001167659677 849324114 /nfs/dbraw/zinc/32/41/14/849324114.db2.gz TYCGUCPTGZFKNW-LJQANCHMSA-N 1 3 388.552 3.829 20 0 GHADHO COC(=O)c1cccc(OCCN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC001167659677 849324126 /nfs/dbraw/zinc/32/41/26/849324126.db2.gz TYCGUCPTGZFKNW-LJQANCHMSA-N 1 3 388.552 3.829 20 0 GHADHO Fc1cc(OCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1Cl ZINC000423159617 849777342 /nfs/dbraw/zinc/77/73/42/849777342.db2.gz YLYZWGHDPPKXKG-QUCCMNQESA-N 1 3 376.859 3.703 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC(N3CCc4ccccc43)CC2)cc1 ZINC000669714575 862098914 /nfs/dbraw/zinc/09/89/14/862098914.db2.gz SLCBVHZKJHHMGD-UHFFFAOYSA-N 1 3 379.548 3.654 20 0 GHADHO CCOc1cc2[nH+]ccc(N3CCC(CN4CCOCC4)CC3)c2cc1OCC ZINC000486955658 850292980 /nfs/dbraw/zinc/29/29/80/850292980.db2.gz HAVCYPHIMNWQTL-UHFFFAOYSA-N 1 3 399.535 3.581 20 0 GHADHO C[C@@H]1CC2(CN1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424294396 850338434 /nfs/dbraw/zinc/33/84/34/850338434.db2.gz QCLHCKKIJOJYPC-NFBKMPQASA-N 1 3 391.559 3.551 20 0 GHADHO COC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCCC1 ZINC000514878474 850400762 /nfs/dbraw/zinc/40/07/62/850400762.db2.gz RTWZESWBLYVTAJ-JOCHJYFZSA-N 1 3 386.580 3.854 20 0 GHADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OCc1ccncc1 ZINC000435380252 850445570 /nfs/dbraw/zinc/44/55/70/850445570.db2.gz QLERIOBNMKNWJH-OAQYLSRUSA-N 1 3 381.520 3.633 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)C[C@H](c4ccccc4)[C@@H]3C)CC2)CC1 ZINC000569708657 850486597 /nfs/dbraw/zinc/48/65/97/850486597.db2.gz VNMLSESVQZQVPA-NMMYMHLASA-N 1 3 397.607 3.976 20 0 GHADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414793143 850511758 /nfs/dbraw/zinc/51/17/58/850511758.db2.gz DHAGDJPMYGJARC-HNAYVOBHSA-N 1 3 380.374 3.521 20 0 GHADHO COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OCc1cccnc1 ZINC000414806275 850618413 /nfs/dbraw/zinc/61/84/13/850618413.db2.gz HORWWDZBSDFDPF-KRWDZBQOSA-N 1 3 377.488 3.979 20 0 GHADHO C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000515054376 850631734 /nfs/dbraw/zinc/63/17/34/850631734.db2.gz FVHYSVCKKRACFG-MGPUTAFESA-N 1 3 375.513 3.889 20 0 GHADHO C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000515054376 850631739 /nfs/dbraw/zinc/63/17/39/850631739.db2.gz FVHYSVCKKRACFG-MGPUTAFESA-N 1 3 375.513 3.889 20 0 GHADHO C[C@H](NC(C)(C)c1cccs1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000543506555 862154875 /nfs/dbraw/zinc/15/48/75/862154875.db2.gz XGTMCOQGRZUECC-KRWDZBQOSA-N 1 3 385.577 3.742 20 0 GHADHO CCCOc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415118296 851352628 /nfs/dbraw/zinc/35/26/28/851352628.db2.gz CYWOFSWVFVCTGJ-FPOVZHCZSA-N 1 3 376.541 3.592 20 0 GHADHO CCCOc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415118300 851352980 /nfs/dbraw/zinc/35/29/80/851352980.db2.gz CYWOFSWVFVCTGJ-PZJWPPBQSA-N 1 3 376.541 3.592 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccsc1 ZINC000514224894 851418902 /nfs/dbraw/zinc/41/89/02/851418902.db2.gz IRVZHZZNHODTAI-LJQANCHMSA-N 1 3 380.602 3.695 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)c1ccsc1 ZINC000514224894 851418897 /nfs/dbraw/zinc/41/88/97/851418897.db2.gz IRVZHZZNHODTAI-LJQANCHMSA-N 1 3 380.602 3.695 20 0 GHADHO C[C@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CC2)C1 ZINC000436310534 851469093 /nfs/dbraw/zinc/46/90/93/851469093.db2.gz QGIAFZCVOUMFAC-YUVXSKOASA-N 1 3 375.601 3.800 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973496 851637329 /nfs/dbraw/zinc/63/73/29/851637329.db2.gz LWQNTARJSFLHHR-MAYZUUGSSA-N 1 3 375.557 3.522 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973496 851637338 /nfs/dbraw/zinc/63/73/38/851637338.db2.gz LWQNTARJSFLHHR-MAYZUUGSSA-N 1 3 375.557 3.522 20 0 GHADHO COCCOc1ccccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000515929901 851953745 /nfs/dbraw/zinc/95/37/45/851953745.db2.gz NYZMHVJXYNIUJF-JTHBVZDNSA-N 1 3 380.532 3.666 20 0 GHADHO COCCOc1ccccc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000515929901 851953755 /nfs/dbraw/zinc/95/37/55/851953755.db2.gz NYZMHVJXYNIUJF-JTHBVZDNSA-N 1 3 380.532 3.666 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000517544777 852101142 /nfs/dbraw/zinc/10/11/42/852101142.db2.gz PDMGCSNKZCUFCX-DENIHFKCSA-N 1 3 386.584 3.584 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000517544777 852101148 /nfs/dbraw/zinc/10/11/48/852101148.db2.gz PDMGCSNKZCUFCX-DENIHFKCSA-N 1 3 386.584 3.584 20 0 GHADHO CN1C[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000425959267 852122166 /nfs/dbraw/zinc/12/21/66/852122166.db2.gz JLMCYTBIWBMDIM-KDURUIRLSA-N 1 3 376.479 3.672 20 0 GHADHO CN1C[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000425959267 852122174 /nfs/dbraw/zinc/12/21/74/852122174.db2.gz JLMCYTBIWBMDIM-KDURUIRLSA-N 1 3 376.479 3.672 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000536261123 852258016 /nfs/dbraw/zinc/25/80/16/852258016.db2.gz ALSRTUUCDFCGEM-GOTSBHOMSA-N 1 3 377.532 3.846 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000536261123 852258020 /nfs/dbraw/zinc/25/80/20/852258020.db2.gz ALSRTUUCDFCGEM-GOTSBHOMSA-N 1 3 377.532 3.846 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000506921251 852338271 /nfs/dbraw/zinc/33/82/71/852338271.db2.gz HRZPDOOCGFEZPL-AKIFATBCSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000506921251 852338277 /nfs/dbraw/zinc/33/82/77/852338277.db2.gz HRZPDOOCGFEZPL-AKIFATBCSA-N 1 3 398.595 3.557 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167961298 852388906 /nfs/dbraw/zinc/38/89/06/852388906.db2.gz HPJCKJRGPLRZMX-XUBOLADHSA-N 1 3 377.573 3.771 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455928099 862377234 /nfs/dbraw/zinc/37/72/34/862377234.db2.gz NWNUURMWXRPQPE-JOCHJYFZSA-N 1 3 398.526 3.970 20 0 GHADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000507393048 852855735 /nfs/dbraw/zinc/85/57/35/852855735.db2.gz VSYROSZZOWZTPC-MOPGFXCFSA-N 1 3 392.613 3.552 20 0 GHADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000507393048 852855741 /nfs/dbraw/zinc/85/57/41/852855741.db2.gz VSYROSZZOWZTPC-MOPGFXCFSA-N 1 3 392.613 3.552 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000427269112 852918644 /nfs/dbraw/zinc/91/86/44/852918644.db2.gz GRVJXEPYOSRPHS-APWZRJJASA-N 1 3 399.501 3.984 20 0 GHADHO COc1ccccc1-c1ncc(C[NH2+]CCCN(C)Cc2ccccc2)cn1 ZINC000490536590 853091538 /nfs/dbraw/zinc/09/15/38/853091538.db2.gz SRKUMUSZIMDKLC-UHFFFAOYSA-N 1 3 376.504 3.764 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506054996 853176994 /nfs/dbraw/zinc/17/69/94/853176994.db2.gz GMERDLPBHYMELH-QUCCMNQESA-N 1 3 393.522 3.525 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506054996 853177004 /nfs/dbraw/zinc/17/70/04/853177004.db2.gz GMERDLPBHYMELH-QUCCMNQESA-N 1 3 393.522 3.525 20 0 GHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000518291485 853185600 /nfs/dbraw/zinc/18/56/00/853185600.db2.gz SUNRCYOGMQCGJZ-SIKLNZKXSA-N 1 3 394.563 3.539 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167962253 853470340 /nfs/dbraw/zinc/47/03/40/853470340.db2.gz VTKNAMMNZIKHOT-UPFVCRHRSA-N 1 3 389.584 3.771 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167962253 853470347 /nfs/dbraw/zinc/47/03/47/853470347.db2.gz VTKNAMMNZIKHOT-UPFVCRHRSA-N 1 3 389.584 3.771 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000517248844 853566144 /nfs/dbraw/zinc/56/61/44/853566144.db2.gz FNAXMQJGHHYGJX-IGKWTDBASA-N 1 3 391.559 3.794 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000068582555 854600707 /nfs/dbraw/zinc/60/07/07/854600707.db2.gz IYTSQLPNKQXDQH-LJQANCHMSA-N 1 3 392.563 3.554 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000068582555 854600710 /nfs/dbraw/zinc/60/07/10/854600710.db2.gz IYTSQLPNKQXDQH-LJQANCHMSA-N 1 3 392.563 3.554 20 0 GHADHO CCC[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000572655713 854921084 /nfs/dbraw/zinc/92/10/84/854921084.db2.gz BPGCVACSDIETLY-IBGZPJMESA-N 1 3 397.485 3.879 20 0 GHADHO CN1c2ccc(C[N@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)cc2CCC1=O ZINC000186967278 862642601 /nfs/dbraw/zinc/64/26/01/862642601.db2.gz NBGQYXVMTZIDHX-NRFANRHFSA-N 1 3 377.532 3.550 20 0 GHADHO CN1c2ccc(C[N@@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)cc2CCC1=O ZINC000186967278 862642608 /nfs/dbraw/zinc/64/26/08/862642608.db2.gz NBGQYXVMTZIDHX-NRFANRHFSA-N 1 3 377.532 3.550 20 0 GHADHO CSc1ccc(OCC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000441475503 855176974 /nfs/dbraw/zinc/17/69/74/855176974.db2.gz QBRJCUBDUXPGTQ-HDICACEKSA-N 1 3 378.582 3.609 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000590786878 855585927 /nfs/dbraw/zinc/58/59/27/855585927.db2.gz HMPALDAPRVOHFY-UHFFFAOYSA-N 1 3 383.536 3.762 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000590786878 855585932 /nfs/dbraw/zinc/58/59/32/855585932.db2.gz HMPALDAPRVOHFY-UHFFFAOYSA-N 1 3 383.536 3.762 20 0 GHADHO CC[NH+](CC)[C@@H](C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000591101380 855775499 /nfs/dbraw/zinc/77/54/99/855775499.db2.gz MZVLDOUPTMGKFQ-IFMALSPDSA-N 1 3 383.536 3.924 20 0 GHADHO Brc1cccc(-c2cnc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573447654 856130543 /nfs/dbraw/zinc/13/05/43/856130543.db2.gz DQWKZTNLMHLILK-HOTGVXAUSA-N 1 3 390.325 3.926 20 0 GHADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001168007893 856158084 /nfs/dbraw/zinc/15/80/84/856158084.db2.gz VHSZXXUNFXHFFI-GNBUJSLZSA-N 1 3 375.557 3.931 20 0 GHADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001168007893 856158086 /nfs/dbraw/zinc/15/80/86/856158086.db2.gz VHSZXXUNFXHFFI-GNBUJSLZSA-N 1 3 375.557 3.931 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@](C)(O)C(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000905128321 856177835 /nfs/dbraw/zinc/17/78/35/856177835.db2.gz QUYDVRCUYFZIMW-UNEWFSDZSA-N 1 3 380.401 3.694 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@](C)(O)C(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000905128321 856177839 /nfs/dbraw/zinc/17/78/39/856177839.db2.gz QUYDVRCUYFZIMW-UNEWFSDZSA-N 1 3 380.401 3.694 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc3cc[nH]c3c2)[C@H]1c1cccs1 ZINC000905136561 856181977 /nfs/dbraw/zinc/18/19/77/856181977.db2.gz ZNWUUSMWNLLJIS-HMFYCAOWSA-N 1 3 399.560 3.642 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc3cc[nH]c3c2)[C@H]1c1cccs1 ZINC000905136561 856181981 /nfs/dbraw/zinc/18/19/81/856181981.db2.gz ZNWUUSMWNLLJIS-HMFYCAOWSA-N 1 3 399.560 3.642 20 0 GHADHO C[C@@H]1C[C@@H](N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009335 856397140 /nfs/dbraw/zinc/39/71/40/856397140.db2.gz HZOMAAIJKNWSDF-KGLBSCIUSA-N 1 3 393.531 3.525 20 0 GHADHO C[C@@H]1C[C@@H](N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009335 856397153 /nfs/dbraw/zinc/39/71/53/856397153.db2.gz HZOMAAIJKNWSDF-KGLBSCIUSA-N 1 3 393.531 3.525 20 0 GHADHO C[C@H]1CC2(CN1CC(=O)Nc1ccc(OCc3ccccc3)cc1)CC[NH2+]CC2 ZINC000573793730 856476836 /nfs/dbraw/zinc/47/68/36/856476836.db2.gz SCZRUXYXUMMILF-IBGZPJMESA-N 1 3 393.531 3.668 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000499513166 857085601 /nfs/dbraw/zinc/08/56/01/857085601.db2.gz IRZWOGKFAOLYKY-QGZVFWFLSA-N 1 3 377.916 3.574 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465947689 857190639 /nfs/dbraw/zinc/19/06/39/857190639.db2.gz ICTXLMRKJMRLPU-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465947689 857190643 /nfs/dbraw/zinc/19/06/43/857190643.db2.gz ICTXLMRKJMRLPU-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(Cl)c3N(C)C)CC2)CC1 ZINC000574216456 857295074 /nfs/dbraw/zinc/29/50/74/857295074.db2.gz HQIJYLHBMZMERP-UHFFFAOYSA-N 1 3 392.975 3.541 20 0 GHADHO CC[C@H]1Cc2ccccc2CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000574171957 857315198 /nfs/dbraw/zinc/31/51/98/857315198.db2.gz WUIRNWTVTFKWKB-QFIPXVFZSA-N 1 3 383.580 3.546 20 0 GHADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(F)cc(Br)c1 ZINC000181491693 862900481 /nfs/dbraw/zinc/90/04/81/862900481.db2.gz MRVGQTHUQVVVAL-SFHVURJKSA-N 1 3 386.353 3.657 20 0 GHADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1Br ZINC000656678058 857481233 /nfs/dbraw/zinc/48/12/33/857481233.db2.gz QXBSWMXUBBAAIA-OAHLLOKOSA-N 1 3 381.358 3.991 20 0 GHADHO c1ccc(N2CC[NH+](C[C@@H]3CCCN(c4ccnc5ccccc54)C3)CC2)nc1 ZINC000521085315 857577940 /nfs/dbraw/zinc/57/79/40/857577940.db2.gz NWXCZGMPKODQBV-FQEVSTJZSA-N 1 3 387.531 3.668 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000675750157 857587248 /nfs/dbraw/zinc/58/72/48/857587248.db2.gz RQFHMAKENXYYNT-RBUKOAKNSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000675750157 857587260 /nfs/dbraw/zinc/58/72/60/857587260.db2.gz RQFHMAKENXYYNT-RBUKOAKNSA-N 1 3 390.535 3.745 20 0 GHADHO C(=C\C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)\CN1CC[C@H](Nc2ccccc2)C1 ZINC000255215335 857598754 /nfs/dbraw/zinc/59/87/54/857598754.db2.gz MAXZKEJYTPMFJS-ZUHQACNJSA-N 1 3 376.548 3.915 20 0 GHADHO C(=C\C[N@H+]1CC[C@@H](Nc2ccccc2)C1)\CN1CC[C@H](Nc2ccccc2)C1 ZINC000255215335 857598759 /nfs/dbraw/zinc/59/87/59/857598759.db2.gz MAXZKEJYTPMFJS-ZUHQACNJSA-N 1 3 376.548 3.915 20 0 GHADHO C(=C\C[N@@H+]1CC[C@H](Nc2ccccc2)C1)\CN1CC[C@@H](Nc2ccccc2)C1 ZINC000255215335 857598764 /nfs/dbraw/zinc/59/87/64/857598764.db2.gz MAXZKEJYTPMFJS-ZUHQACNJSA-N 1 3 376.548 3.915 20 0 GHADHO C(=C\C[N@H+]1CC[C@H](Nc2ccccc2)C1)\CN1CC[C@@H](Nc2ccccc2)C1 ZINC000255215335 857598775 /nfs/dbraw/zinc/59/87/75/857598775.db2.gz MAXZKEJYTPMFJS-ZUHQACNJSA-N 1 3 376.548 3.915 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000574445151 857885678 /nfs/dbraw/zinc/88/56/78/857885678.db2.gz RPXHBSRWSDHYBN-NNMXDRDESA-N 1 3 388.577 3.777 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000574445151 857885691 /nfs/dbraw/zinc/88/56/91/857885691.db2.gz RPXHBSRWSDHYBN-NNMXDRDESA-N 1 3 388.577 3.777 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnnn1-c1ccccc1 ZINC000676469521 857904682 /nfs/dbraw/zinc/90/46/82/857904682.db2.gz JLAIZTTZKQYXTP-RTBURBONSA-N 1 3 375.520 3.514 20 0 GHADHO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000521435963 857994723 /nfs/dbraw/zinc/99/47/23/857994723.db2.gz HWFFATPUFBPNQU-QRVBRYPASA-N 1 3 379.504 3.737 20 0 GHADHO CCN1CCCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000574569361 858089697 /nfs/dbraw/zinc/08/96/97/858089697.db2.gz QPEZXLPRXWOEJQ-UHFFFAOYSA-N 1 3 390.597 3.824 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521602197 858148080 /nfs/dbraw/zinc/14/80/80/858148080.db2.gz XEXSLBRAFBPVJT-SFHLNBCPSA-N 1 3 389.559 3.522 20 0 GHADHO CCOc1ccc([C@@H](CC)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OCC ZINC000442872871 858189732 /nfs/dbraw/zinc/18/97/32/858189732.db2.gz KDPILCVCSGADIU-LJQANCHMSA-N 1 3 377.573 3.551 20 0 GHADHO C[C@H](Cc1ccccc1)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574797008 858321262 /nfs/dbraw/zinc/32/12/62/858321262.db2.gz PSVAJEHBNMCZGZ-RDGATRHJSA-N 1 3 377.576 3.757 20 0 GHADHO C[C@H](Cc1ccccc1)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574797008 858321266 /nfs/dbraw/zinc/32/12/66/858321266.db2.gz PSVAJEHBNMCZGZ-RDGATRHJSA-N 1 3 377.576 3.757 20 0 GHADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Nc2ccncc2)cc1 ZINC000605423179 863020247 /nfs/dbraw/zinc/02/02/47/863020247.db2.gz LVVCKEJDPMVUHB-UHFFFAOYSA-N 1 3 386.499 3.642 20 0 GHADHO COc1cc(-c2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)ccc1OCC[NH+](C)C ZINC000443196236 858461031 /nfs/dbraw/zinc/46/10/31/858461031.db2.gz KTCYUNJGGHMQST-OWCLPIDISA-N 1 3 388.512 3.619 20 0 GHADHO C[C@@H]1CC(NCCC(=O)NCc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168019814 858784362 /nfs/dbraw/zinc/78/43/62/858784362.db2.gz KCCFTCJQUGPTTL-WOJBJXKFSA-N 1 3 379.548 3.724 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cl)cc1-n1cncn1 ZINC000482843548 858912321 /nfs/dbraw/zinc/91/23/21/858912321.db2.gz NTBWMCHDKBSAFW-DYESRHJHSA-N 1 3 395.938 3.921 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cl)cc1-n1cncn1 ZINC000482843548 858912323 /nfs/dbraw/zinc/91/23/23/858912323.db2.gz NTBWMCHDKBSAFW-DYESRHJHSA-N 1 3 395.938 3.921 20 0 GHADHO COCCC[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686147 858930385 /nfs/dbraw/zinc/93/03/85/858930385.db2.gz YBXBTRJTPZXUHI-OALUTQOASA-N 1 3 381.358 3.991 20 0 GHADHO COCCC[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686147 858930396 /nfs/dbraw/zinc/93/03/96/858930396.db2.gz YBXBTRJTPZXUHI-OALUTQOASA-N 1 3 381.358 3.991 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000466284216 858979951 /nfs/dbraw/zinc/97/99/51/858979951.db2.gz ZHUBCNCGBDIDJS-CVDCTZTESA-N 1 3 394.563 3.601 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000466284216 858979960 /nfs/dbraw/zinc/97/99/60/858979960.db2.gz ZHUBCNCGBDIDJS-CVDCTZTESA-N 1 3 394.563 3.601 20 0 GHADHO C[C@H]1CCN(CC(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)C1 ZINC001143616531 858995287 /nfs/dbraw/zinc/99/52/87/858995287.db2.gz XNRWNQRIDLXGQX-NRFANRHFSA-N 1 3 393.575 3.898 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000522318868 859031045 /nfs/dbraw/zinc/03/10/45/859031045.db2.gz XVAQVXMDEQDPRM-UHFFFAOYSA-N 1 3 388.600 3.580 20 0 GHADHO COc1cc(C[NH2+]CC2(CN(C)C)CCCC2)ccc1OCc1ccncc1 ZINC000185291608 859067190 /nfs/dbraw/zinc/06/71/90/859067190.db2.gz SUGFQPBZNQUNNZ-UHFFFAOYSA-N 1 3 383.536 3.881 20 0 GHADHO C[C@H](NC[C@H](O)COc1cccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661949 859115030 /nfs/dbraw/zinc/11/50/30/859115030.db2.gz DVGNJSFGJHNDJV-DWLFOUALSA-N 1 3 382.548 3.822 20 0 GHADHO C[C@H](NC[C@H](O)COc1cccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661949 859115033 /nfs/dbraw/zinc/11/50/33/859115033.db2.gz DVGNJSFGJHNDJV-DWLFOUALSA-N 1 3 382.548 3.822 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000466372608 859239706 /nfs/dbraw/zinc/23/97/06/859239706.db2.gz RKQYNZPCDWETCZ-UHFFFAOYSA-N 1 3 383.502 3.892 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000522382828 859302263 /nfs/dbraw/zinc/30/22/63/859302263.db2.gz PXBPTKIYCOJMCL-MRXNPFEDSA-N 1 3 377.479 3.588 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429414996 859313284 /nfs/dbraw/zinc/31/32/84/859313284.db2.gz ZWHGLKPGRUGHRE-IEZKXTBUSA-N 1 3 399.623 3.910 20 0 GHADHO c1cc(Sc2ccccn2)oc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537301 859323741 /nfs/dbraw/zinc/32/37/41/859323741.db2.gz HCOXJRLPJVEVOO-UHFFFAOYSA-N 1 3 387.549 3.806 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-n2cncn2)cc1 ZINC000509445296 859459634 /nfs/dbraw/zinc/45/96/34/859459634.db2.gz BMUAYVQAIZJIKK-QFIPXVFZSA-N 1 3 375.520 3.658 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-n2cncn2)cc1 ZINC000509445296 859459640 /nfs/dbraw/zinc/45/96/40/859459640.db2.gz BMUAYVQAIZJIKK-QFIPXVFZSA-N 1 3 375.520 3.658 20 0 GHADHO F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@H]1CN(Cc3ccccc3)CC13CCC3)OCCO2 ZINC000895448234 859490938 /nfs/dbraw/zinc/49/09/38/859490938.db2.gz ABHUFJIPBPFRCV-PWRODBHTSA-N 1 3 388.527 3.512 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3cc4cccnc4o3)C2)ccn1 ZINC000856560071 881440103 /nfs/dbraw/zinc/44/01/03/881440103.db2.gz VBZDBYSTXMIUHK-FQEVSTJZSA-N 1 3 380.492 3.716 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3cc4cccnc4o3)C2)ccn1 ZINC000856560071 881440112 /nfs/dbraw/zinc/44/01/12/881440112.db2.gz VBZDBYSTXMIUHK-FQEVSTJZSA-N 1 3 380.492 3.716 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000536683299 860272493 /nfs/dbraw/zinc/27/24/93/860272493.db2.gz VKKDPCPPBKLOPM-UHFFFAOYSA-N 1 3 380.458 3.789 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000536683299 860272500 /nfs/dbraw/zinc/27/25/00/860272500.db2.gz VKKDPCPPBKLOPM-UHFFFAOYSA-N 1 3 380.458 3.789 20 0 GHADHO C[C@H]1C[NH+](CCCCNCc2c(Cl)cccc2OC(F)F)C[C@H](C)O1 ZINC000602911556 860344364 /nfs/dbraw/zinc/34/43/64/860344364.db2.gz WJILJMYESFMHFC-KBPBESRZSA-N 1 3 376.875 3.920 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2c(Cl)cccc2OC(F)F)C[C@H](C)O1 ZINC000602911556 860344371 /nfs/dbraw/zinc/34/43/71/860344371.db2.gz WJILJMYESFMHFC-KBPBESRZSA-N 1 3 376.875 3.920 20 0 GHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904572658 860519319 /nfs/dbraw/zinc/51/93/19/860519319.db2.gz MQZOMDYSYFGMGZ-UHFFFAOYSA-N 1 3 390.478 3.754 20 0 GHADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000054510298 860606366 /nfs/dbraw/zinc/60/63/66/860606366.db2.gz VVIKVGCDGGXQDB-MOPGFXCFSA-N 1 3 392.613 3.552 20 0 GHADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000054510298 860606377 /nfs/dbraw/zinc/60/63/77/860606377.db2.gz VVIKVGCDGGXQDB-MOPGFXCFSA-N 1 3 392.613 3.552 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)C2)ccn1 ZINC000856604867 881581432 /nfs/dbraw/zinc/58/14/32/881581432.db2.gz SRRRTHWXTYDXCP-GMAHTHKFSA-N 1 3 388.600 3.638 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)C2)ccn1 ZINC000856604867 881581450 /nfs/dbraw/zinc/58/14/50/881581450.db2.gz SRRRTHWXTYDXCP-GMAHTHKFSA-N 1 3 388.600 3.638 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607155 881584835 /nfs/dbraw/zinc/58/48/35/881584835.db2.gz WXQHWINWBBJJTL-YGOYIFOWSA-N 1 3 397.563 3.540 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607155 881584841 /nfs/dbraw/zinc/58/48/41/881584841.db2.gz WXQHWINWBBJJTL-YGOYIFOWSA-N 1 3 397.563 3.540 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000481328979 861077193 /nfs/dbraw/zinc/07/71/93/861077193.db2.gz WFEZYCDKAJHBEH-RBUKOAKNSA-N 1 3 378.520 3.906 20 0 GHADHO CCC1CCC([N@H+](C)CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000920089493 881628003 /nfs/dbraw/zinc/62/80/03/881628003.db2.gz MELJJPVZHPELGA-UHFFFAOYSA-N 1 3 386.584 3.668 20 0 GHADHO CCC1CCC([N@@H+](C)CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000920089493 881628011 /nfs/dbraw/zinc/62/80/11/881628011.db2.gz MELJJPVZHPELGA-UHFFFAOYSA-N 1 3 386.584 3.668 20 0 GHADHO CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475091454 864138764 /nfs/dbraw/zinc/13/87/64/864138764.db2.gz BMUQHKXZEWEGQK-JOCHJYFZSA-N 1 3 386.584 3.559 20 0 GHADHO Cc1cc(Br)cc2c1[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000494449567 881737885 /nfs/dbraw/zinc/73/78/85/881737885.db2.gz BUGFGVBECPYIQE-YJBOKZPZSA-N 1 3 381.358 3.835 20 0 GHADHO Cc1cc(Br)cc2c1[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000494449567 881737899 /nfs/dbraw/zinc/73/78/99/881737899.db2.gz BUGFGVBECPYIQE-YJBOKZPZSA-N 1 3 381.358 3.835 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000475116203 864243025 /nfs/dbraw/zinc/24/30/25/864243025.db2.gz HVNOINYBDYHQPN-DENIHFKCSA-N 1 3 398.595 3.918 20 0 GHADHO Cc1cc2c(c(C)c1)[C@H](NCc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000655710783 864840034 /nfs/dbraw/zinc/84/00/34/864840034.db2.gz FFJDTOZFUPNQEV-XZOQPEGZSA-N 1 3 391.559 3.778 20 0 GHADHO Cc1cc2c(c(C)c1)[C@H](NCc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000655710783 864840049 /nfs/dbraw/zinc/84/00/49/864840049.db2.gz FFJDTOZFUPNQEV-XZOQPEGZSA-N 1 3 391.559 3.778 20 0 GHADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168099305 864846619 /nfs/dbraw/zinc/84/66/19/864846619.db2.gz YHTZTOOWOYFCIZ-QGZVFWFLSA-N 1 3 378.520 3.859 20 0 GHADHO COC1CCN(C2(C[NH2+]C3CCN(Cc4ccccc4)CC3)CCCC2)CC1 ZINC000608056527 864979986 /nfs/dbraw/zinc/97/99/86/864979986.db2.gz VSNBXYIQJLWVGZ-UHFFFAOYSA-N 1 3 385.596 3.664 20 0 GHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(N2CCCC2=O)c1 ZINC000171131040 865153195 /nfs/dbraw/zinc/15/31/95/865153195.db2.gz HKRBGVJMJIDAKX-LJQANCHMSA-N 1 3 395.547 3.995 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555009442 865305051 /nfs/dbraw/zinc/30/50/51/865305051.db2.gz QNHDVCQJQDMOFY-QHCPKHFHSA-N 1 3 377.532 3.677 20 0 GHADHO Cc1cc(NC[C@H](C(C)C)N2CCN(C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301374757 865320411 /nfs/dbraw/zinc/32/04/11/865320411.db2.gz QYZBKSKOUZIAJH-HXUWFJFHSA-N 1 3 392.494 3.829 20 0 GHADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000608684922 865555913 /nfs/dbraw/zinc/55/59/13/865555913.db2.gz CNZZAKSTQQRWKW-YADHBBJMSA-N 1 3 386.584 3.729 20 0 GHADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000608684922 865555916 /nfs/dbraw/zinc/55/59/16/865555916.db2.gz CNZZAKSTQQRWKW-YADHBBJMSA-N 1 3 386.584 3.729 20 0 GHADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1OCCO ZINC000481169234 865912192 /nfs/dbraw/zinc/91/21/92/865912192.db2.gz BUSMTAXWWJABPY-XQBPLPMBSA-N 1 3 398.547 3.628 20 0 GHADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1OCCO ZINC000481169234 865912199 /nfs/dbraw/zinc/91/21/99/865912199.db2.gz BUSMTAXWWJABPY-XQBPLPMBSA-N 1 3 398.547 3.628 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187410 865954783 /nfs/dbraw/zinc/95/47/83/865954783.db2.gz JIUUBVNPWUFVNB-FDDCHVKYSA-N 1 3 377.532 3.614 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000667850029 866096639 /nfs/dbraw/zinc/09/66/39/866096639.db2.gz YGBZUQVKTQGYBN-UEVCKROQSA-N 1 3 390.531 3.712 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000667850029 866096652 /nfs/dbraw/zinc/09/66/52/866096652.db2.gz YGBZUQVKTQGYBN-UEVCKROQSA-N 1 3 390.531 3.712 20 0 GHADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000532373971 882026566 /nfs/dbraw/zinc/02/65/66/882026566.db2.gz JEYOCCNNQBAMCS-UHFFFAOYSA-N 1 3 380.960 3.986 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C[C@H](C)O1 ZINC000620756895 867275219 /nfs/dbraw/zinc/27/52/19/867275219.db2.gz FVAVBGCBEVXAPS-ROUUACIJSA-N 1 3 390.959 3.564 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001170429459 882070775 /nfs/dbraw/zinc/07/07/75/882070775.db2.gz UJVOMWYCVSPPMT-FQEVSTJZSA-N 1 3 396.531 3.781 20 0 GHADHO Cc1ccc([C@H]([NH2+]CCCCN2CCN(CCO)CC2)C2CCCCC2)cc1 ZINC000479260020 867446370 /nfs/dbraw/zinc/44/63/70/867446370.db2.gz QRYRLNNZRKVWFW-XMMPIXPASA-N 1 3 387.612 3.596 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620772835 867462004 /nfs/dbraw/zinc/46/20/04/867462004.db2.gz PGEWNRPTZSTHOQ-JTHBVZDNSA-N 1 3 394.563 3.501 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620772835 867462013 /nfs/dbraw/zinc/46/20/13/867462013.db2.gz PGEWNRPTZSTHOQ-JTHBVZDNSA-N 1 3 394.563 3.501 20 0 GHADHO c1[nH]c(CNCCCC[NH+]2CCN(c3ccccc3)CC2)nc1-c1ccccc1 ZINC000194243010 882104183 /nfs/dbraw/zinc/10/41/83/882104183.db2.gz IUWNXKDKEBKXQL-UHFFFAOYSA-N 1 3 389.547 3.769 20 0 GHADHO C[NH+](C)CCC1CCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000121624870 882188076 /nfs/dbraw/zinc/18/80/76/882188076.db2.gz MJSUHFDJZZUGMZ-UHFFFAOYSA-N 1 3 377.548 3.617 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000457739899 868700225 /nfs/dbraw/zinc/70/02/25/868700225.db2.gz ONQPEZGHMFJFCY-RTBURBONSA-N 1 3 394.629 3.579 20 0 GHADHO Brc1cc(Br)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000394586932 882263822 /nfs/dbraw/zinc/26/38/22/882263822.db2.gz WRCDWOMNIOILPI-NSHDSACASA-N 1 3 388.147 3.786 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n(C)c1C ZINC000462785645 870075765 /nfs/dbraw/zinc/07/57/65/870075765.db2.gz QTFBWVSPTCNCTG-HDICACEKSA-N 1 3 397.563 3.888 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n(C)c1C ZINC000462785645 870075779 /nfs/dbraw/zinc/07/57/79/870075779.db2.gz QTFBWVSPTCNCTG-HDICACEKSA-N 1 3 397.563 3.888 20 0 GHADHO Cc1cc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)s1 ZINC000248170657 870308991 /nfs/dbraw/zinc/30/89/91/870308991.db2.gz USQFYCWXDWXNEA-OXJNMPFZSA-N 1 3 385.577 3.913 20 0 GHADHO Cc1cc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)s1 ZINC000248170657 870309014 /nfs/dbraw/zinc/30/90/14/870309014.db2.gz USQFYCWXDWXNEA-OXJNMPFZSA-N 1 3 385.577 3.913 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)s1 ZINC000248452041 870430165 /nfs/dbraw/zinc/43/01/65/870430165.db2.gz PRRIQXSSIXYGKB-CZUORRHYSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)s1 ZINC000248452041 870430168 /nfs/dbraw/zinc/43/01/68/870430168.db2.gz PRRIQXSSIXYGKB-CZUORRHYSA-N 1 3 395.366 3.928 20 0 GHADHO COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000766461815 870784571 /nfs/dbraw/zinc/78/45/71/870784571.db2.gz UMMHEZVFYXORBJ-FQEVSTJZSA-N 1 3 384.520 3.680 20 0 GHADHO FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000249214537 870791140 /nfs/dbraw/zinc/79/11/40/870791140.db2.gz ZLTXEEBGVFJPKY-PCCBWWKXSA-N 1 3 395.513 3.761 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN[C@H](CCCO)c2ccccc2)CC1 ZINC000088728463 870916280 /nfs/dbraw/zinc/91/62/80/870916280.db2.gz QRMKDDXNPPDKKG-HSZRJFAPSA-N 1 3 381.564 3.822 20 0 GHADHO CC(C)[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000540300836 870944330 /nfs/dbraw/zinc/94/43/30/870944330.db2.gz TYZORQRRHCWDPI-NRFANRHFSA-N 1 3 383.492 3.961 20 0 GHADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028289 871089767 /nfs/dbraw/zinc/08/97/67/871089767.db2.gz RJNLSZOXCHRCER-JPYJTQIMSA-N 1 3 377.532 3.535 20 0 GHADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028292 871090775 /nfs/dbraw/zinc/09/07/75/871090775.db2.gz RJNLSZOXCHRCER-MBSDFSHPSA-N 1 3 377.532 3.535 20 0 GHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000539072762 871258882 /nfs/dbraw/zinc/25/88/82/871258882.db2.gz SKHPVLOOHFYESN-QGZVFWFLSA-N 1 3 389.565 3.749 20 0 GHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000539072762 871258902 /nfs/dbraw/zinc/25/89/02/871258902.db2.gz SKHPVLOOHFYESN-QGZVFWFLSA-N 1 3 389.565 3.749 20 0 GHADHO CCOC(=O)N1CCC[C@H]([NH+]2CCC(N(CC)Cc3ccccc3)CC2)CC1 ZINC001169703718 871787663 /nfs/dbraw/zinc/78/76/63/871787663.db2.gz PMSROYVUFOAZQR-NRFANRHFSA-N 1 3 387.568 3.984 20 0 GHADHO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000447543295 871813268 /nfs/dbraw/zinc/81/32/68/871813268.db2.gz RLXPCSBZVGMNPV-JZXOWHBKSA-N 1 3 392.540 3.621 20 0 GHADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1I ZINC000447568362 871829868 /nfs/dbraw/zinc/82/98/68/871829868.db2.gz JFPQSIHHAIVUNH-ZDUSSCGKSA-N 1 3 384.305 3.816 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477919203 872180602 /nfs/dbraw/zinc/18/06/02/872180602.db2.gz XDUBVFTXEIQUDD-QGZVFWFLSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477919203 872180610 /nfs/dbraw/zinc/18/06/10/872180610.db2.gz XDUBVFTXEIQUDD-QGZVFWFLSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cccc(CN(C)C)c1 ZINC000122525097 882596043 /nfs/dbraw/zinc/59/60/43/882596043.db2.gz JUEKTTPPOOEILA-OALUTQOASA-N 1 3 379.548 3.635 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3c3ccccc3Cl)CC2)CC1 ZINC000619161431 872374155 /nfs/dbraw/zinc/37/41/55/872374155.db2.gz QLWKBPOYCREHQC-PZJWPPBQSA-N 1 3 389.971 3.508 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1CN1CCCCC1 ZINC000182493771 872434558 /nfs/dbraw/zinc/43/45/58/872434558.db2.gz KBQJPRVGOSVFLE-LJQANCHMSA-N 1 3 387.568 3.734 20 0 GHADHO c1ccc(CN2C[C@H](C[NH2+]CC3Cc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000552363415 872522275 /nfs/dbraw/zinc/52/22/75/872522275.db2.gz QIFXHIQQNFLVSZ-VWLOTQADSA-N 1 3 390.571 3.920 20 0 GHADHO C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182630484 872620268 /nfs/dbraw/zinc/62/02/68/872620268.db2.gz SLYINHXUIGGAEG-LJQANCHMSA-N 1 3 382.552 3.552 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000527869174 873697331 /nfs/dbraw/zinc/69/73/31/873697331.db2.gz OATFEHZSCWBJFS-HXUWFJFHSA-N 1 3 389.902 3.548 20 0 GHADHO O=C1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2N1 ZINC000541542758 873802076 /nfs/dbraw/zinc/80/20/76/873802076.db2.gz DLKUVZCBYRYINS-NRFANRHFSA-N 1 3 379.504 3.724 20 0 GHADHO CC(C)P(CCNC(=O)c1cccc(CN2CCC[N@H+](C)CC2)c1)C(C)C ZINC001197521181 873852920 /nfs/dbraw/zinc/85/29/20/873852920.db2.gz RGSNCVKBHGMASX-UHFFFAOYSA-N 1 3 391.540 3.853 20 0 GHADHO CC(C)P(CCNC(=O)c1cccc(CN2CCC[N@@H+](C)CC2)c1)C(C)C ZINC001197521181 873852933 /nfs/dbraw/zinc/85/29/33/873852933.db2.gz RGSNCVKBHGMASX-UHFFFAOYSA-N 1 3 391.540 3.853 20 0 GHADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc2ccccc21 ZINC000449233427 874622661 /nfs/dbraw/zinc/62/26/61/874622661.db2.gz LNXIQNPMYPLWHD-QFIPXVFZSA-N 1 3 376.500 3.705 20 0 GHADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc2ccccc21 ZINC000449233427 874622670 /nfs/dbraw/zinc/62/26/70/874622670.db2.gz LNXIQNPMYPLWHD-QFIPXVFZSA-N 1 3 376.500 3.705 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486937 882882184 /nfs/dbraw/zinc/88/21/84/882882184.db2.gz RCPLRTCJRHUIRJ-OFNKIYASSA-N 1 3 389.559 3.617 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001129486937 882882200 /nfs/dbraw/zinc/88/22/00/882882200.db2.gz RCPLRTCJRHUIRJ-OFNKIYASSA-N 1 3 389.559 3.617 20 0 GHADHO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000237513773 882885239 /nfs/dbraw/zinc/88/52/39/882885239.db2.gz PKSORVHEUFUTHZ-HXUWFJFHSA-N 1 3 379.548 3.623 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000105441489 875297195 /nfs/dbraw/zinc/29/71/95/875297195.db2.gz WYFQLVKAYSYSGN-OAHLLOKOSA-N 1 3 398.378 3.632 20 0 GHADHO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000449771833 875370915 /nfs/dbraw/zinc/37/09/15/875370915.db2.gz KDGLRLJMQHYJSG-JLMDMGSGSA-N 1 3 394.563 3.531 20 0 GHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000450191846 876056781 /nfs/dbraw/zinc/05/67/81/876056781.db2.gz HMQOPLKEKVBKRI-PGRDOPGGSA-N 1 3 384.568 3.520 20 0 GHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450191846 876056796 /nfs/dbraw/zinc/05/67/96/876056796.db2.gz HMQOPLKEKVBKRI-PGRDOPGGSA-N 1 3 384.568 3.520 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC(F)(F)C1 ZINC000529585381 876359824 /nfs/dbraw/zinc/35/98/24/876359824.db2.gz GFKCJAYQDXFOEW-FXAWDEMLSA-N 1 3 378.507 3.939 20 0 GHADHO COC(=O)c1cccc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000450648899 876728065 /nfs/dbraw/zinc/72/80/65/876728065.db2.gz YVWYMWOTOVUAOC-UHFFFAOYSA-N 1 3 387.911 3.870 20 0 GHADHO CCOc1cc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000537660890 883058682 /nfs/dbraw/zinc/05/86/82/883058682.db2.gz JJZJDRIWQLGFLO-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO CCOc1cc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000537660890 883058699 /nfs/dbraw/zinc/05/86/99/883058699.db2.gz JJZJDRIWQLGFLO-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO CCOc1cc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000537660890 883058715 /nfs/dbraw/zinc/05/87/15/883058715.db2.gz JJZJDRIWQLGFLO-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836328 876954800 /nfs/dbraw/zinc/95/48/00/876954800.db2.gz MZGCZHJNIQQLSR-SFYKDHMMSA-N 1 3 392.547 3.777 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836328 876954807 /nfs/dbraw/zinc/95/48/07/876954807.db2.gz MZGCZHJNIQQLSR-SFYKDHMMSA-N 1 3 392.547 3.777 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cc(Cl)cs2)cc1 ZINC000193113649 883097578 /nfs/dbraw/zinc/09/75/78/883097578.db2.gz GWOGZVAGSGJHNB-UHFFFAOYSA-N 1 3 377.941 3.517 20 0 GHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000477247742 877294159 /nfs/dbraw/zinc/29/41/59/877294159.db2.gz JVIIBDYIVGFCPR-IBGZPJMESA-N 1 3 392.588 3.562 20 0 GHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000477247742 877294169 /nfs/dbraw/zinc/29/41/69/877294169.db2.gz JVIIBDYIVGFCPR-IBGZPJMESA-N 1 3 392.588 3.562 20 0 GHADHO c1cc2c(s1)CCN(CCN[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000245757242 878550180 /nfs/dbraw/zinc/55/01/80/878550180.db2.gz VCEGHGMBGOGBCV-KOUNCHBCSA-N 1 3 381.589 3.891 20 0 GHADHO c1cc2c(s1)CCN(CCN[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000245757242 878550193 /nfs/dbraw/zinc/55/01/93/878550193.db2.gz VCEGHGMBGOGBCV-KOUNCHBCSA-N 1 3 381.589 3.891 20 0 GHADHO COC(=O)COc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245781620 878590224 /nfs/dbraw/zinc/59/02/24/878590224.db2.gz YZDMNQGCNIOYMP-KOUNCHBCSA-N 1 3 394.515 3.524 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000537970057 878644388 /nfs/dbraw/zinc/64/43/88/878644388.db2.gz FALYPUANWDXYRV-HXUWFJFHSA-N 1 3 383.561 3.741 20 0 GHADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000285703432 912398807 /nfs/dbraw/zinc/39/88/07/912398807.db2.gz PFRJRZCNEZIGNA-YFNKSVMNSA-N 1 3 397.607 3.914 20 0 GHADHO Cc1ccc(-c2nc3c(s2)[C@@H](NCCC[NH+]2CCC(O)CC2)CCC3)cc1 ZINC000178520836 879138088 /nfs/dbraw/zinc/13/80/88/879138088.db2.gz FIUMSYWULFNRHX-IBGZPJMESA-N 1 3 385.577 3.932 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1ccccc1O2 ZINC000538291357 879189655 /nfs/dbraw/zinc/18/96/55/879189655.db2.gz RUCWBQANMMXQBD-ACRUOGEOSA-N 1 3 380.536 3.945 20 0 GHADHO C[N@H+](CCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000531167204 879250525 /nfs/dbraw/zinc/25/05/25/879250525.db2.gz HGEWSDCDGFDEEP-UHFFFAOYSA-N 1 3 399.966 3.800 20 0 GHADHO C[N@@H+](CCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000531167204 879250548 /nfs/dbraw/zinc/25/05/48/879250548.db2.gz HGEWSDCDGFDEEP-UHFFFAOYSA-N 1 3 399.966 3.800 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000246374775 879474139 /nfs/dbraw/zinc/47/41/39/879474139.db2.gz MDQGJNBLIWLKGF-SJBKTWHCSA-N 1 3 386.584 3.585 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000246374775 879474146 /nfs/dbraw/zinc/47/41/46/879474146.db2.gz MDQGJNBLIWLKGF-SJBKTWHCSA-N 1 3 386.584 3.585 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000531316888 879595870 /nfs/dbraw/zinc/59/58/70/879595870.db2.gz GIPUOIXZNYZIMQ-UXHICEINSA-N 1 3 388.943 3.545 20 0 GHADHO CC[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000453085146 880442947 /nfs/dbraw/zinc/44/29/47/880442947.db2.gz FPPDSWOAABIBOC-HSZRJFAPSA-N 1 3 383.536 3.812 20 0 GHADHO CC[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000453085146 880442960 /nfs/dbraw/zinc/44/29/60/880442960.db2.gz FPPDSWOAABIBOC-HSZRJFAPSA-N 1 3 383.536 3.812 20 0 GHADHO CCN1CCN(c2ccc(N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000776807823 880506999 /nfs/dbraw/zinc/50/69/99/880506999.db2.gz YPFZGVYZYXFYEH-GBXCKJPGSA-N 1 3 393.579 3.546 20 0 GHADHO CCN1CCN(c2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000776807823 880507003 /nfs/dbraw/zinc/50/70/03/880507003.db2.gz YPFZGVYZYXFYEH-GBXCKJPGSA-N 1 3 393.579 3.546 20 0 GHADHO CC[NH+]1CCN(c2ccc(N[C@@H]3CCN(Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000776807823 880507006 /nfs/dbraw/zinc/50/70/06/880507006.db2.gz YPFZGVYZYXFYEH-GBXCKJPGSA-N 1 3 393.579 3.546 20 0 GHADHO C[C@H]1C[N@H+](CCOc2ccc(CCN[C@@H]3C[C@@H](C)n4ccnc43)cc2)C[C@H]1C ZINC000453164392 880563003 /nfs/dbraw/zinc/56/30/03/880563003.db2.gz NVVCUMCKQLLVFY-VQQMMKBISA-N 1 3 382.552 3.688 20 0 GHADHO C[C@H]1C[N@@H+](CCOc2ccc(CCN[C@@H]3C[C@@H](C)n4ccnc43)cc2)C[C@H]1C ZINC000453164392 880563013 /nfs/dbraw/zinc/56/30/13/880563013.db2.gz NVVCUMCKQLLVFY-VQQMMKBISA-N 1 3 382.552 3.688 20 0 GHADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453333456 880801180 /nfs/dbraw/zinc/80/11/80/880801180.db2.gz GWKZCZICURBRFY-LSUHJGNXSA-N 1 3 391.559 3.519 20 0 GHADHO CCCCCOc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1OC ZINC000532016122 880930987 /nfs/dbraw/zinc/93/09/87/880930987.db2.gz SQBGFQYBOSGSTL-RTWAWAEBSA-N 1 3 390.568 3.732 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CCSCC1 ZINC000187025424 881052994 /nfs/dbraw/zinc/05/29/94/881052994.db2.gz RRJOIUWNWAWVQZ-FQEVSTJZSA-N 1 3 375.626 3.706 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120025520 881287795 /nfs/dbraw/zinc/28/77/95/881287795.db2.gz LWDFODVFMQQMJT-CYBMUJFWSA-N 1 3 381.948 3.965 20 0 GHADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C(F)(F)F ZINC000195342528 883288719 /nfs/dbraw/zinc/28/87/19/883288719.db2.gz YLGTXZDKURZKEL-UHFFFAOYSA-N 1 3 398.473 3.694 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000195341719 883288848 /nfs/dbraw/zinc/28/88/48/883288848.db2.gz RGDRHOPLYLVOGS-UHFFFAOYSA-N 1 3 385.339 3.674 20 0 GHADHO Fc1ccc(Cl)c(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211910535 883334485 /nfs/dbraw/zinc/33/44/85/883334485.db2.gz FUUANHKGJUXRIY-QGZVFWFLSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1ccc(Cl)c(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211910535 883334496 /nfs/dbraw/zinc/33/44/96/883334496.db2.gz FUUANHKGJUXRIY-QGZVFWFLSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1cc(Cl)ccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910775 883477791 /nfs/dbraw/zinc/47/77/91/883477791.db2.gz LKROLOZGMFPRAN-QGZVFWFLSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1cc(Cl)ccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910775 883477802 /nfs/dbraw/zinc/47/78/02/883477802.db2.gz LKROLOZGMFPRAN-QGZVFWFLSA-N 1 3 398.869 3.718 20 0 GHADHO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](c1ccccc1)N(C)C ZINC000476993459 883531561 /nfs/dbraw/zinc/53/15/61/883531561.db2.gz VJWFPNRUXOSMFM-AUSIDOKSSA-N 1 3 394.563 3.773 20 0 GHADHO Cc1ccc(Cl)c(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211911582 883816911 /nfs/dbraw/zinc/81/69/11/883816911.db2.gz RNYFKISNBOUTSW-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1ccc(Cl)c(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211911582 883816933 /nfs/dbraw/zinc/81/69/33/883816933.db2.gz RNYFKISNBOUTSW-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)N2CCCC2)cc1 ZINC000194685380 883894574 /nfs/dbraw/zinc/89/45/74/883894574.db2.gz MJXLSDNOXUXQIL-NRFANRHFSA-N 1 3 386.584 3.694 20 0 GHADHO CC(C)C(=O)NCCN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000556260044 884264014 /nfs/dbraw/zinc/26/40/14/884264014.db2.gz APCHBGRGXPVRDT-NRFANRHFSA-N 1 3 377.548 3.741 20 0 GHADHO CC[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)N1CCc2ccccc2C1 ZINC000044277030 884811460 /nfs/dbraw/zinc/81/14/60/884811460.db2.gz CBJXYWZKMTVPMV-QFIPXVFZSA-N 1 3 380.536 3.707 20 0 GHADHO CC[NH+]1CCC(N(C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000106388357 885051015 /nfs/dbraw/zinc/05/10/15/885051015.db2.gz HTYQSQHBJZOVNT-NOZRDPDXSA-N 1 3 396.575 3.878 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CN(Cc4ccccc4)CCCO3)C2)CC1 ZINC000556496738 885149180 /nfs/dbraw/zinc/14/91/80/885149180.db2.gz DNSYVLLUWDNKEZ-DQEYMECFSA-N 1 3 399.623 3.721 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncccc3OC(F)F)c3ccccc23)CC1 ZINC001170524250 885440127 /nfs/dbraw/zinc/44/01/27/885440127.db2.gz IIARYBMCTDYDLO-UHFFFAOYSA-N 1 3 386.446 3.593 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)N(C)C)cc1 ZINC000303075187 885448983 /nfs/dbraw/zinc/44/89/83/885448983.db2.gz QXUZAFZLJPOZCM-PKTZIBPZSA-N 1 3 394.563 3.734 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cccc4c3CCCO4)c3ccccc23)CC1 ZINC001170528556 885591960 /nfs/dbraw/zinc/59/19/60/885591960.db2.gz OVMKJLGDBSNMJI-UHFFFAOYSA-N 1 3 375.516 3.921 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@@H](C)C1 ZINC000495420383 885747869 /nfs/dbraw/zinc/74/78/69/885747869.db2.gz HMYRUJIBDMDSHT-LPHOPBHVSA-N 1 3 398.389 3.588 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@@H](C)C1 ZINC000495420383 885747886 /nfs/dbraw/zinc/74/78/86/885747886.db2.gz HMYRUJIBDMDSHT-LPHOPBHVSA-N 1 3 398.389 3.588 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1C ZINC000532569032 886127887 /nfs/dbraw/zinc/12/78/87/886127887.db2.gz VOQKFSYIDNHSRH-UWJYYQICSA-N 1 3 397.567 3.622 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1C ZINC000532569032 886127900 /nfs/dbraw/zinc/12/79/00/886127900.db2.gz VOQKFSYIDNHSRH-UWJYYQICSA-N 1 3 397.567 3.622 20 0 GHADHO C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000556814146 886230696 /nfs/dbraw/zinc/23/06/96/886230696.db2.gz YIXBBHKTFRERQG-SJLPKXTDSA-N 1 3 387.474 3.794 20 0 GHADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000073400968 886676957 /nfs/dbraw/zinc/67/69/57/886676957.db2.gz ZDOCUWKGMZMRKT-IBGZPJMESA-N 1 3 377.598 3.758 20 0 GHADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000127473203 887063753 /nfs/dbraw/zinc/06/37/53/887063753.db2.gz JCQZYWNOEGVQBJ-SFHVURJKSA-N 1 3 394.357 3.584 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000127470068 887064182 /nfs/dbraw/zinc/06/41/82/887064182.db2.gz YGAUNPFASYZGJN-UHFFFAOYSA-N 1 3 385.339 3.674 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000863635064 887252249 /nfs/dbraw/zinc/25/22/49/887252249.db2.gz GNDNRIDRPLLACR-NRFANRHFSA-N 1 3 389.971 3.640 20 0 GHADHO CCN(CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168500975 887580047 /nfs/dbraw/zinc/58/00/47/887580047.db2.gz LMMFRDCBYYKNKJ-CABCVRRESA-N 1 3 381.483 3.638 20 0 GHADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000763054288 887601702 /nfs/dbraw/zinc/60/17/02/887601702.db2.gz WKZVKIFWEVBSLX-SJLPKXTDSA-N 1 3 397.485 3.689 20 0 GHADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000763054288 887601711 /nfs/dbraw/zinc/60/17/11/887601711.db2.gz WKZVKIFWEVBSLX-SJLPKXTDSA-N 1 3 397.485 3.689 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000105123984 887694871 /nfs/dbraw/zinc/69/48/71/887694871.db2.gz AGSFHISZEOARAI-HKUYNNGSSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000105123984 887694880 /nfs/dbraw/zinc/69/48/80/887694880.db2.gz AGSFHISZEOARAI-HKUYNNGSSA-N 1 3 380.602 3.551 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000051758618 887781204 /nfs/dbraw/zinc/78/12/04/887781204.db2.gz DPXNARHDHHOHRG-UHFFFAOYSA-N 1 3 398.595 3.571 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000810426825 888493512 /nfs/dbraw/zinc/49/35/12/888493512.db2.gz YAVRXEFGEVUSEY-RFWXGWTQSA-N 1 3 389.559 3.710 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000810426825 888493518 /nfs/dbraw/zinc/49/35/18/888493518.db2.gz YAVRXEFGEVUSEY-RFWXGWTQSA-N 1 3 389.559 3.710 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810568239 888628746 /nfs/dbraw/zinc/62/87/46/888628746.db2.gz XFSNXUFXBZMRHM-AVRDEDQJSA-N 1 3 381.580 3.702 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810568239 888628750 /nfs/dbraw/zinc/62/87/50/888628750.db2.gz XFSNXUFXBZMRHM-AVRDEDQJSA-N 1 3 381.580 3.702 20 0 GHADHO CCCCOc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195344121 888681168 /nfs/dbraw/zinc/68/11/68/888681168.db2.gz FRJPFCWEQQTGHS-UHFFFAOYSA-N 1 3 388.556 3.546 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866306732 888822351 /nfs/dbraw/zinc/82/23/51/888822351.db2.gz LYEPJYADHYCTFW-XKQJLSEDSA-N 1 3 377.916 3.900 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@@H]3CCCc4c(F)cccc43)cc2)CC1 ZINC000866375705 888852127 /nfs/dbraw/zinc/85/21/27/888852127.db2.gz YJRAFFYABHMTGV-HSZRJFAPSA-N 1 3 395.522 3.690 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)[C@H](C)C1 ZINC000126813005 890749765 /nfs/dbraw/zinc/74/97/65/890749765.db2.gz LYUFFTGQUVOVSJ-URVUXULASA-N 1 3 393.641 3.687 20 0 GHADHO C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000287717458 913503725 /nfs/dbraw/zinc/50/37/25/913503725.db2.gz YKHCNYAFNXEVGS-AUSIDOKSSA-N 1 3 398.595 3.728 20 0 GHADHO C[NH+]1CCC(NCCOc2c(Cl)cc(Br)cc2Cl)CC1 ZINC000127489111 891090731 /nfs/dbraw/zinc/09/07/31/891090731.db2.gz FLFZBPRBEYDEQJ-UHFFFAOYSA-N 1 3 382.129 3.819 20 0 GHADHO C[C@@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000873212148 891525234 /nfs/dbraw/zinc/52/52/34/891525234.db2.gz ICGFXRMVWZPVCL-OAHLLOKOSA-N 1 3 392.528 3.892 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC000873282702 891560445 /nfs/dbraw/zinc/56/04/45/891560445.db2.gz LIFBKUYAHZKPGH-SFHVURJKSA-N 1 3 375.520 3.601 20 0 GHADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508711895 892831509 /nfs/dbraw/zinc/83/15/09/892831509.db2.gz BQMQKSVDRRVOAA-GMAHTHKFSA-N 1 3 385.596 3.522 20 0 GHADHO C[C@@H]1CN(c2ccccc2CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000459393142 893449738 /nfs/dbraw/zinc/44/97/38/893449738.db2.gz VKOYCIYRWVZIFV-UXHICEINSA-N 1 3 399.604 3.975 20 0 GHADHO C[C@@H]1CN(c2ccccc2CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1 ZINC000459393142 893449751 /nfs/dbraw/zinc/44/97/51/893449751.db2.gz VKOYCIYRWVZIFV-UXHICEINSA-N 1 3 399.604 3.975 20 0 GHADHO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000536858344 893949309 /nfs/dbraw/zinc/94/93/09/893949309.db2.gz MZNFTIJEYJKUAY-FQEVSTJZSA-N 1 3 379.548 3.541 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000536999558 894204265 /nfs/dbraw/zinc/20/42/65/894204265.db2.gz UBZXZACBLZPWRA-FQEVSTJZSA-N 1 3 398.378 3.977 20 0 GHADHO C[C@H]1C[C@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)C[N@@H+]2C1 ZINC001135296052 894331211 /nfs/dbraw/zinc/33/12/11/894331211.db2.gz LFNCNQDLXYFASS-MTQWCTHYSA-N 1 3 389.609 3.758 20 0 GHADHO C[C@H]1C[C@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)C[N@H+]2C1 ZINC001135296052 894331227 /nfs/dbraw/zinc/33/12/27/894331227.db2.gz LFNCNQDLXYFASS-MTQWCTHYSA-N 1 3 389.609 3.758 20 0 GHADHO CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@H]1c1ccccc1 ZINC000455850940 894696833 /nfs/dbraw/zinc/69/68/33/894696833.db2.gz KWKJWYMPILQSSG-YPAWHYETSA-N 1 3 378.520 3.802 20 0 GHADHO Brc1ccccc1-c1cnc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000565047449 895367892 /nfs/dbraw/zinc/36/78/92/895367892.db2.gz RPZLGTFTXFGKNO-GJZGRUSLSA-N 1 3 390.325 3.926 20 0 GHADHO CC(C)(O)[C@@H]1CCN(Cc2cc(Cl)cc(C[N@@H+]3CC[C@@H](C(C)(C)O)C3)c2)C1 ZINC000880148659 895541880 /nfs/dbraw/zinc/54/18/80/895541880.db2.gz IWQKWLGSZQELHC-RTBURBONSA-N 1 3 394.987 3.526 20 0 GHADHO CC(C)(O)[C@@H]1CCN(Cc2cc(Cl)cc(C[N@H+]3CC[C@@H](C(C)(C)O)C3)c2)C1 ZINC000880148659 895541885 /nfs/dbraw/zinc/54/18/85/895541885.db2.gz IWQKWLGSZQELHC-RTBURBONSA-N 1 3 394.987 3.526 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)CC1 ZINC000880276271 895608910 /nfs/dbraw/zinc/60/89/10/895608910.db2.gz FROMFEXXRPTSPY-QFIPXVFZSA-N 1 3 395.595 3.672 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)CC1 ZINC000880276271 895608913 /nfs/dbraw/zinc/60/89/13/895608913.db2.gz FROMFEXXRPTSPY-QFIPXVFZSA-N 1 3 395.595 3.672 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000565547871 895715817 /nfs/dbraw/zinc/71/58/17/895715817.db2.gz DIOLZZSRYLUXID-YUXAGFNASA-N 1 3 375.601 3.610 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000565827537 895915087 /nfs/dbraw/zinc/91/50/87/895915087.db2.gz AGVFRRGNLHYTMB-NZQKXSOJSA-N 1 3 392.478 3.665 20 0 GHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000817947666 895973819 /nfs/dbraw/zinc/97/38/19/895973819.db2.gz FDSAIKIMYBEMJQ-KRWDZBQOSA-N 1 3 386.561 3.755 20 0 GHADHO CN(c1ccccc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000566534908 896359115 /nfs/dbraw/zinc/35/91/15/896359115.db2.gz SLYRZJUWNYCEQU-DHIUTWEWSA-N 1 3 383.580 3.751 20 0 GHADHO Cc1ccc([C@@H](O)CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333856 896577261 /nfs/dbraw/zinc/57/72/61/896577261.db2.gz RGUJTVJFPVVIPI-RPWUZVMVSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccc([C@@H](O)CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333856 896577272 /nfs/dbraw/zinc/57/72/72/896577272.db2.gz RGUJTVJFPVVIPI-RPWUZVMVSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333856 896577286 /nfs/dbraw/zinc/57/72/86/896577286.db2.gz RGUJTVJFPVVIPI-RPWUZVMVSA-N 1 3 394.559 3.547 20 0 GHADHO O=C1NCCN1c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000883281651 897441793 /nfs/dbraw/zinc/44/17/93/897441793.db2.gz UADIQRLPHQAXMF-OAQYLSRUSA-N 1 3 390.531 3.503 20 0 GHADHO O=C1NCCN1c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000883281651 897441802 /nfs/dbraw/zinc/44/18/02/897441802.db2.gz UADIQRLPHQAXMF-OAQYLSRUSA-N 1 3 390.531 3.503 20 0 GHADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1cc(F)ccc1F ZINC000568200963 897671184 /nfs/dbraw/zinc/67/11/84/897671184.db2.gz DMXNNQAESVUPRL-OAQYLSRUSA-N 1 3 393.522 3.728 20 0 GHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569337602 898555853 /nfs/dbraw/zinc/55/58/53/898555853.db2.gz IZFHXEFLJWLHRC-JLYLLQBASA-N 1 3 397.485 3.516 20 0 GHADHO C[N@H+](CCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)C1CCCCC1 ZINC001136727471 899053242 /nfs/dbraw/zinc/05/32/42/899053242.db2.gz LURXTKLGRILMOP-UHFFFAOYSA-N 1 3 393.616 3.571 20 0 GHADHO C[N@@H+](CCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)C1CCCCC1 ZINC001136727471 899053258 /nfs/dbraw/zinc/05/32/58/899053258.db2.gz LURXTKLGRILMOP-UHFFFAOYSA-N 1 3 393.616 3.571 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000570543024 899374012 /nfs/dbraw/zinc/37/40/12/899374012.db2.gz UXGQYGDDCQMPGU-XXBNENTESA-N 1 3 379.548 3.921 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584961 899725602 /nfs/dbraw/zinc/72/56/02/899725602.db2.gz KLBRGOBITCQEBJ-WSTZPKSXSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584961 899725614 /nfs/dbraw/zinc/72/56/14/899725614.db2.gz KLBRGOBITCQEBJ-WSTZPKSXSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584961 899725624 /nfs/dbraw/zinc/72/56/24/899725624.db2.gz KLBRGOBITCQEBJ-WSTZPKSXSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584961 899725632 /nfs/dbraw/zinc/72/56/32/899725632.db2.gz KLBRGOBITCQEBJ-WSTZPKSXSA-N 1 3 390.535 3.818 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000134653100 900101279 /nfs/dbraw/zinc/10/12/79/900101279.db2.gz BPAUFTNGKVLOQD-OAHLLOKOSA-N 1 3 378.561 3.653 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccsc1 ZINC000573153265 900399238 /nfs/dbraw/zinc/39/92/38/900399238.db2.gz AJBMWFYTSZGRCF-WOJBJXKFSA-N 1 3 392.613 3.791 20 0 GHADHO Brc1ccccc1-c1cnc(CN2CCC3(C2)CC[NH2+]CC3)o1 ZINC000844222551 900588882 /nfs/dbraw/zinc/58/88/82/900588882.db2.gz GADMEQJVLKOTBF-UHFFFAOYSA-N 1 3 376.298 3.680 20 0 GHADHO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)CC2 ZINC000886598752 901182346 /nfs/dbraw/zinc/18/23/46/901182346.db2.gz JJIGWESRWOLPKZ-IZBOUPIGSA-N 1 3 378.564 3.964 20 0 GHADHO C[S@](=O)Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000576179499 901763291 /nfs/dbraw/zinc/76/32/91/901763291.db2.gz MXXURZMZQNRHNU-KVOKEACQSA-N 1 3 396.600 3.955 20 0 GHADHO C[S@](=O)Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000576179499 901763301 /nfs/dbraw/zinc/76/33/01/901763301.db2.gz MXXURZMZQNRHNU-KVOKEACQSA-N 1 3 396.600 3.955 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCCCNC1 ZINC000576219362 901830084 /nfs/dbraw/zinc/83/00/84/901830084.db2.gz YWALNQABPPMKDE-YPMHNXCESA-N 1 3 377.838 3.808 20 0 GHADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc4cc([C@@H]5CNCCO5)cn43)c2c1 ZINC001171170168 901948430 /nfs/dbraw/zinc/94/84/30/901948430.db2.gz UOSYVQRYNIBCOF-HXOBKFHXSA-N 1 3 388.515 3.742 20 0 GHADHO C[C@H]1[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CCN1Cc1ccccc1 ZINC000576667037 902172838 /nfs/dbraw/zinc/17/28/38/902172838.db2.gz ARKXCSADPAKYHB-GHTZIAJQSA-N 1 3 380.536 3.575 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)s1 ZINC000846100848 902713139 /nfs/dbraw/zinc/71/31/39/902713139.db2.gz UYDYFHUSQDMXHS-LAUBAEHRSA-N 1 3 395.588 3.549 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)s1 ZINC000846100848 902713154 /nfs/dbraw/zinc/71/31/54/902713154.db2.gz UYDYFHUSQDMXHS-LAUBAEHRSA-N 1 3 395.588 3.549 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc(OC(C)C)cc3)CC2)CC1 ZINC000577385221 902729344 /nfs/dbraw/zinc/72/93/44/902729344.db2.gz MEQZYMYELSNGIB-UHFFFAOYSA-N 1 3 387.568 3.633 20 0 GHADHO N[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749256 903153379 /nfs/dbraw/zinc/15/33/79/903153379.db2.gz VBSOMYWIEQHTET-ZRBLBEILSA-N 1 3 377.532 3.590 20 0 GHADHO N[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749256 903153388 /nfs/dbraw/zinc/15/33/88/903153388.db2.gz VBSOMYWIEQHTET-ZRBLBEILSA-N 1 3 377.532 3.590 20 0 GHADHO CCOc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1OC ZINC000132966183 903331404 /nfs/dbraw/zinc/33/14/04/903331404.db2.gz JPOVXUWLYGIPQK-UHFFFAOYSA-N 1 3 397.563 3.914 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CCN(C4CC4)C3)cc2)C1 ZINC000601242290 903501845 /nfs/dbraw/zinc/50/18/45/903501845.db2.gz LBIQLPVCABQLEO-PWHSHALESA-N 1 3 398.595 3.543 20 0 GHADHO CCOC(=O)N1CCC([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000187701256 904826692 /nfs/dbraw/zinc/82/66/92/904826692.db2.gz CFUBUQSGDZJIGF-WFXMLNOXSA-N 1 3 379.589 3.876 20 0 GHADHO C[NH+]1C(C)(C)CC(NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1(C)C ZINC001171612990 904874013 /nfs/dbraw/zinc/87/40/13/904874013.db2.gz CILJRCMKTWBWQG-HNNXBMFYSA-N 1 3 389.531 3.872 20 0 GHADHO Cn1ccc(CN2CCCC23CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC3)n1 ZINC001171636266 904924021 /nfs/dbraw/zinc/92/40/21/904924021.db2.gz CMZXIAYDDBWBRE-UHFFFAOYSA-N 1 3 387.616 3.502 20 0 GHADHO CC1(C)C[C@@H](NC[C@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171976841 905223623 /nfs/dbraw/zinc/22/36/23/905223623.db2.gz UPCSETSCYKPZDG-UPVQGACJSA-N 1 3 393.575 3.925 20 0 GHADHO CC1(C)C[C@@H](NC[C@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001171976841 905223637 /nfs/dbraw/zinc/22/36/37/905223637.db2.gz UPCSETSCYKPZDG-UPVQGACJSA-N 1 3 393.575 3.925 20 0 GHADHO CN1c2cc(C[NH2+][C@H]3CCN(Cc4ccccc4)C(C)(C)C3)ccc2OCC1=O ZINC001171980823 905232803 /nfs/dbraw/zinc/23/28/03/905232803.db2.gz XIEPNSNHMJCNLL-FQEVSTJZSA-N 1 3 393.531 3.575 20 0 GHADHO OC[C@@H](Cc1cccc(F)c1)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076302 905286951 /nfs/dbraw/zinc/28/69/51/905286951.db2.gz HRWDQJJEPNLEDJ-YCAMKHIRSA-N 1 3 382.523 3.904 20 0 GHADHO OC[C@@H](Cc1cccc(F)c1)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076302 905286963 /nfs/dbraw/zinc/28/69/63/905286963.db2.gz HRWDQJJEPNLEDJ-YCAMKHIRSA-N 1 3 382.523 3.904 20 0 GHADHO COCCCCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172090434 905308344 /nfs/dbraw/zinc/30/83/44/905308344.db2.gz VPOQKPRZCKJBNE-UBRQYEGLSA-N 1 3 385.596 3.616 20 0 GHADHO COCCCCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172090434 905308363 /nfs/dbraw/zinc/30/83/63/905308363.db2.gz VPOQKPRZCKJBNE-UBRQYEGLSA-N 1 3 385.596 3.616 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)c3ccccc3)cc1)C2 ZINC001172112055 905359590 /nfs/dbraw/zinc/35/95/90/905359590.db2.gz ZZMNLJCXZLANLB-ACDBMABISA-N 1 3 384.545 3.624 20 0 GHADHO C[C@@H](CSc1ccc(Cl)cc1)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172878739 905960177 /nfs/dbraw/zinc/96/01/77/905960177.db2.gz KBWZTYXZXXHSFE-BBRMVZONSA-N 1 3 387.977 4.000 20 0 GHADHO C[C@H]1CC[C@@H](NCc2ccccc2OCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173052798 906125223 /nfs/dbraw/zinc/12/52/23/906125223.db2.gz HSUVZDSLYXLSTI-PKOBYXMFSA-N 1 3 391.556 3.505 20 0 GHADHO CC[NH+](CC)C1CCC(N2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001173113237 906201108 /nfs/dbraw/zinc/20/11/08/906201108.db2.gz IFEMLBNETAYLKS-JCYILVPMSA-N 1 3 389.531 3.874 20 0 GHADHO COc1cccc2c1C[C@H]([NH+]1CCC3(CC[C@H]3N(C)Cc3ccco3)CC1)CO2 ZINC001173154198 906241645 /nfs/dbraw/zinc/24/16/45/906241645.db2.gz LEPQULUXLGXDGU-FDDCHVKYSA-N 1 3 396.531 3.968 20 0 GHADHO COc1cccc2c1C[C@H](N1CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154198 906241662 /nfs/dbraw/zinc/24/16/62/906241662.db2.gz LEPQULUXLGXDGU-FDDCHVKYSA-N 1 3 396.531 3.968 20 0 GHADHO COc1cccc2c1C[C@H](N1CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154198 906241677 /nfs/dbraw/zinc/24/16/77/906241677.db2.gz LEPQULUXLGXDGU-FDDCHVKYSA-N 1 3 396.531 3.968 20 0 GHADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000181415226 906996690 /nfs/dbraw/zinc/99/66/90/906996690.db2.gz BIAGODJMZHMGEO-QGTPRVQTSA-N 1 3 398.494 3.715 20 0 GHADHO COCc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1OC ZINC000182228918 907163931 /nfs/dbraw/zinc/16/39/31/907163931.db2.gz BZYFPMMBTUSUGI-FDDCHVKYSA-N 1 3 398.547 3.649 20 0 GHADHO COCc1cc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1OC ZINC000182228918 907163941 /nfs/dbraw/zinc/16/39/41/907163941.db2.gz BZYFPMMBTUSUGI-FDDCHVKYSA-N 1 3 398.547 3.649 20 0 GHADHO C[C@@H](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)N1CCCCC1 ZINC000183226104 907353352 /nfs/dbraw/zinc/35/33/52/907353352.db2.gz FWOSKLUKQFEAFK-KRWDZBQOSA-N 1 3 377.960 3.799 20 0 GHADHO CC(C)N1CCCC[C@@H]1C[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001175690414 907695107 /nfs/dbraw/zinc/69/51/07/907695107.db2.gz XYJDVPAYHUVKGN-JRFVFWCSSA-N 1 3 385.596 3.615 20 0 GHADHO CC(C)N1CCCC[C@@H]1C[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001175690414 907695112 /nfs/dbraw/zinc/69/51/12/907695112.db2.gz XYJDVPAYHUVKGN-JRFVFWCSSA-N 1 3 385.596 3.615 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000187127790 908042626 /nfs/dbraw/zinc/04/26/26/908042626.db2.gz KHBVZAWHOIIKJM-UHFFFAOYSA-N 1 3 395.547 3.606 20 0 GHADHO C[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ncc(Br)cc1F ZINC000187315307 908074360 /nfs/dbraw/zinc/07/43/60/908074360.db2.gz ORGQMNOHGYPJAF-ZDUSSCGKSA-N 1 3 393.304 3.945 20 0 GHADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC001176433498 908089362 /nfs/dbraw/zinc/08/93/62/908089362.db2.gz UAXRJRUNTZMGIC-QHCPKHFHSA-N 1 3 379.548 3.875 20 0 GHADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC001176433498 908089376 /nfs/dbraw/zinc/08/93/76/908089376.db2.gz UAXRJRUNTZMGIC-QHCPKHFHSA-N 1 3 379.548 3.875 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(Cl)c3cccnc23)C1 ZINC001178462394 909064509 /nfs/dbraw/zinc/06/45/09/909064509.db2.gz DOCDIJNRLRJCMV-LJQANCHMSA-N 1 3 381.907 3.745 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(Cl)c3cccnc23)C1 ZINC001178462394 909064523 /nfs/dbraw/zinc/06/45/23/909064523.db2.gz DOCDIJNRLRJCMV-LJQANCHMSA-N 1 3 381.907 3.745 20 0 GHADHO COCCOC[C@H]1CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001179854347 909770910 /nfs/dbraw/zinc/77/09/10/909770910.db2.gz FGWUPRNXNJGJKA-LADGPHEKSA-N 1 3 388.596 3.910 20 0 GHADHO COCCOC[C@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001179854347 909770913 /nfs/dbraw/zinc/77/09/13/909770913.db2.gz FGWUPRNXNJGJKA-LADGPHEKSA-N 1 3 388.596 3.910 20 0 GHADHO CCOC(=O)N1CCC(C)(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001180031109 909900507 /nfs/dbraw/zinc/90/05/07/909900507.db2.gz VKCIRDXUVSWBHG-FQEVSTJZSA-N 1 3 379.589 3.689 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000268806979 910025830 /nfs/dbraw/zinc/02/58/30/910025830.db2.gz JPWMGDYXZNYARD-GBXCKJPGSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000268806979 910025844 /nfs/dbraw/zinc/02/58/44/910025844.db2.gz JPWMGDYXZNYARD-GBXCKJPGSA-N 1 3 391.559 3.809 20 0 GHADHO Cc1c([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000268990039 910094834 /nfs/dbraw/zinc/09/48/34/910094834.db2.gz MFZRDPPMZOJMRO-CYBMUJFWSA-N 1 3 397.350 3.595 20 0 GHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(Br)ncc1F ZINC000273850612 911056711 /nfs/dbraw/zinc/05/67/11/911056711.db2.gz JUHWIYTTYKVJAW-MGPQQGTHSA-N 1 3 388.325 3.523 20 0 GHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926671 921635785 /nfs/dbraw/zinc/63/57/85/921635785.db2.gz YOYHGTALFVNAMS-ICSRJNTNSA-N 1 3 379.589 3.687 20 0 GHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926671 921635789 /nfs/dbraw/zinc/63/57/89/921635789.db2.gz YOYHGTALFVNAMS-ICSRJNTNSA-N 1 3 379.589 3.687 20 0 GHADHO CN(CCN(C)C(=O)CC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC001182042027 911144761 /nfs/dbraw/zinc/14/47/61/911144761.db2.gz SCFBWRANONQWFK-UHFFFAOYSA-N 1 3 393.575 3.879 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000642305317 911964465 /nfs/dbraw/zinc/96/44/65/911964465.db2.gz XNWRBWKWLOQKFM-UHFFFAOYSA-N 1 3 391.559 3.939 20 0 GHADHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000647344741 915165086 /nfs/dbraw/zinc/16/50/86/915165086.db2.gz YGJWDTVXGNHMFF-KWOQKUFVSA-N 1 3 379.548 3.519 20 0 GHADHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000647344741 915165093 /nfs/dbraw/zinc/16/50/93/915165093.db2.gz YGJWDTVXGNHMFF-KWOQKUFVSA-N 1 3 379.548 3.519 20 0 GHADHO C[NH+]1CCC(N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)c2ccccc2)CC1 ZINC000649625294 916272207 /nfs/dbraw/zinc/27/22/07/916272207.db2.gz URUUOBBAQYTYPK-MSOLQXFVSA-N 1 3 384.442 3.861 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(C(=O)c3coc4ccc(Cl)cc34)CC2)CC1 ZINC000652462068 917903860 /nfs/dbraw/zinc/90/38/60/917903860.db2.gz YYSRNHWFBOTLAU-UHFFFAOYSA-N 1 3 389.927 3.718 20 0 GHADHO CCN1CCC([N@H+]2CCCN(C(=O)c3coc4ccc(Cl)cc34)CC2)CC1 ZINC000652462068 917903869 /nfs/dbraw/zinc/90/38/69/917903869.db2.gz YYSRNHWFBOTLAU-UHFFFAOYSA-N 1 3 389.927 3.718 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000653113486 918129868 /nfs/dbraw/zinc/12/98/68/918129868.db2.gz CVZQWCYLMBMXHT-SJLPKXTDSA-N 1 3 385.474 3.594 20 0 GHADHO O=C([C@@H]1CCC[NH2+]CC1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000653149158 918142454 /nfs/dbraw/zinc/14/24/54/918142454.db2.gz YQHQCYISDFMWFA-QGZVFWFLSA-N 1 3 398.378 3.808 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)CC1 ZINC000800328854 919913443 /nfs/dbraw/zinc/91/34/43/919913443.db2.gz VHRDGDNKBDCFBP-HXUWFJFHSA-N 1 3 379.976 3.599 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)CC1 ZINC000800328854 919913447 /nfs/dbraw/zinc/91/34/47/919913447.db2.gz VHRDGDNKBDCFBP-HXUWFJFHSA-N 1 3 379.976 3.599 20 0 GHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902504215 922244983 /nfs/dbraw/zinc/24/49/83/922244983.db2.gz MPAKQIUSBVAPSF-VNJOCVIMSA-N 1 3 391.515 3.823 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN(Cc2ccccc2)C1 ZINC000827011147 924543675 /nfs/dbraw/zinc/54/36/75/924543675.db2.gz DYDPTGLDGBLXIC-SQJMNOBHSA-N 1 3 392.591 3.794 20 0 GHADHO Cc1ccc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1Br ZINC000678296212 924712386 /nfs/dbraw/zinc/71/23/86/924712386.db2.gz WELHOCHARNRXQF-UHFFFAOYSA-N 1 3 394.401 3.748 20 0 GHADHO C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000827950864 926374661 /nfs/dbraw/zinc/37/46/61/926374661.db2.gz UNEQMEPEHVQALR-HOJAQTOUSA-N 1 3 379.589 3.734 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000411549824 926511198 /nfs/dbraw/zinc/51/11/98/926511198.db2.gz ICPPKUARWVVJTM-DENIHFKCSA-N 1 3 397.563 3.895 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000411549824 926511206 /nfs/dbraw/zinc/51/12/06/926511206.db2.gz ICPPKUARWVVJTM-DENIHFKCSA-N 1 3 397.563 3.895 20 0 GHADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000412196845 927197262 /nfs/dbraw/zinc/19/72/62/927197262.db2.gz CHDJJXWLIJZKJM-JTHBVZDNSA-N 1 3 381.564 3.761 20 0 GHADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000412196845 927197267 /nfs/dbraw/zinc/19/72/67/927197267.db2.gz CHDJJXWLIJZKJM-JTHBVZDNSA-N 1 3 381.564 3.761 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469440742 929889889 /nfs/dbraw/zinc/88/98/89/929889889.db2.gz MNKJLJQSFOHVLJ-FCHUYYIVSA-N 1 3 388.600 3.516 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469440742 929889899 /nfs/dbraw/zinc/88/98/99/929889899.db2.gz MNKJLJQSFOHVLJ-FCHUYYIVSA-N 1 3 388.600 3.516 20 0 GHADHO COC(=O)c1ccccc1OCCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469771278 930151534 /nfs/dbraw/zinc/15/15/34/930151534.db2.gz ZDFBJXHCGUORRQ-RTBURBONSA-N 1 3 396.531 3.598 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000780879999 930624841 /nfs/dbraw/zinc/62/48/41/930624841.db2.gz WWLCNURRSWKZFB-DENIHFKCSA-N 1 3 377.532 3.814 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000780880006 930625179 /nfs/dbraw/zinc/62/51/79/930625179.db2.gz WWLCNURRSWKZFB-SIKLNZKXSA-N 1 3 377.532 3.814 20 0 GHADHO CCCN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470478645 930648464 /nfs/dbraw/zinc/64/84/64/930648464.db2.gz WGFQRWJXUDURQR-QHCPKHFHSA-N 1 3 377.532 3.807 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470888789 931001953 /nfs/dbraw/zinc/00/19/53/931001953.db2.gz AJVJBUFHIOOUBR-VXKWHMMOSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470888789 931001963 /nfs/dbraw/zinc/00/19/63/931001963.db2.gz AJVJBUFHIOOUBR-VXKWHMMOSA-N 1 3 386.584 3.557 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3cc(Cl)nc4ccccc34)CC2)CC1 ZINC000782543297 931263346 /nfs/dbraw/zinc/26/33/46/931263346.db2.gz AVXJOVKHSHTTPK-UHFFFAOYSA-N 1 3 386.971 3.738 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CC(c3cccc(F)c3)C2)cc1 ZINC000558063765 931823206 /nfs/dbraw/zinc/82/32/06/931823206.db2.gz GYZSAVHLZLXDCI-UHFFFAOYSA-N 1 3 395.522 3.687 20 0 GHADHO Cc1nc(-c2cc([C@H](C)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)cs2)cs1 ZINC000925855404 931923572 /nfs/dbraw/zinc/92/35/72/931923572.db2.gz UTJCVHTZBDIVFF-SWLSCSKDSA-N 1 3 391.562 3.516 20 0 GHADHO CC[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)N1CCc2ccccc2C1 ZINC000558821326 932254186 /nfs/dbraw/zinc/25/41/86/932254186.db2.gz XONKSKMDZBBACU-XMMPIXPASA-N 1 3 391.559 3.849 20 0 GHADHO CN(CCCN(C)C(=O)OC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000797966053 932474436 /nfs/dbraw/zinc/47/44/36/932474436.db2.gz FZYUCKKLBKJHRF-HXUWFJFHSA-N 1 3 375.557 3.697 20 0 GHADHO CN(CCCN(C)C(=O)OC(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000797966053 932474440 /nfs/dbraw/zinc/47/44/40/932474440.db2.gz FZYUCKKLBKJHRF-HXUWFJFHSA-N 1 3 375.557 3.697 20 0 GHADHO C[C@@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000799031292 932857810 /nfs/dbraw/zinc/85/78/10/932857810.db2.gz IZUYMBMTLMNCIE-NRFANRHFSA-N 1 3 397.607 3.664 20 0 GHADHO CC[NH+](CC)C[C@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799123737 932882267 /nfs/dbraw/zinc/88/22/67/932882267.db2.gz GCTMZMWDZADEAN-JOCHJYFZSA-N 1 3 387.568 3.699 20 0 GHADHO CCN(CC)C[C@H]1CC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799123737 932882271 /nfs/dbraw/zinc/88/22/71/932882271.db2.gz GCTMZMWDZADEAN-JOCHJYFZSA-N 1 3 387.568 3.699 20 0 GHADHO CCN(CC)C[C@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799123737 932882281 /nfs/dbraw/zinc/88/22/81/932882281.db2.gz GCTMZMWDZADEAN-JOCHJYFZSA-N 1 3 387.568 3.699 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3[C@H](C)c3ccccc3)CC2)CC1 ZINC000928387514 932960402 /nfs/dbraw/zinc/96/04/02/932960402.db2.gz WBZZKGMOGXWDDM-YKSBVNFPSA-N 1 3 397.607 3.977 20 0 GHADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120562 934709702 /nfs/dbraw/zinc/70/97/02/934709702.db2.gz NKBKFXGQCMTEMH-JOCHJYFZSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120574 934709776 /nfs/dbraw/zinc/70/97/76/934709776.db2.gz NKBKFXGQCMTEMH-QFIPXVFZSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297010 935607951 /nfs/dbraw/zinc/60/79/51/935607951.db2.gz SDQSGPQXCFHHAR-COPCDDAFSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297010 935607955 /nfs/dbraw/zinc/60/79/55/935607955.db2.gz SDQSGPQXCFHHAR-COPCDDAFSA-N 1 3 385.552 3.640 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1ccc(F)nc1)CC2 ZINC001137738211 935760161 /nfs/dbraw/zinc/76/01/61/935760161.db2.gz PHXMGQCYXZXOMR-QGZVFWFLSA-N 1 3 375.513 3.538 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1ccc(F)nc1)CC2 ZINC001137738211 935760165 /nfs/dbraw/zinc/76/01/65/935760165.db2.gz PHXMGQCYXZXOMR-QGZVFWFLSA-N 1 3 375.513 3.538 20 0 GHADHO c1cnn(-c2ccc(C[NH+]3CCC4(CCN(Cc5ccoc5)C4)CC3)cc2)c1 ZINC001137758158 935774232 /nfs/dbraw/zinc/77/42/32/935774232.db2.gz JPMWKPALQJQRPG-UHFFFAOYSA-N 1 3 376.504 3.953 20 0 GHADHO Cc1ccc(N(C)c2ccc(CN3CCC([NH+]4CCN(C)CC4)CC3)cc2)cc1 ZINC001137897001 935852517 /nfs/dbraw/zinc/85/25/17/935852517.db2.gz YBROFLUOGMGXMW-UHFFFAOYSA-N 1 3 392.591 3.975 20 0 GHADHO C[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001625797062 1014176524 /nfs/dbraw/zinc/17/65/24/1014176524.db2.gz VZITULILXDUZDC-YPAWHYETSA-N 1 3 399.623 3.814 20 0 GHADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000468432106 1015702727 /nfs/dbraw/zinc/70/27/27/1015702727.db2.gz FIXSCYOZGDNZRJ-GOSISDBHSA-N 1 3 380.602 3.504 20 0 GHADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000468890827 1016174470 /nfs/dbraw/zinc/17/44/70/1016174470.db2.gz IMOQKYORHDUUAI-UHFFFAOYSA-N 1 3 390.487 3.577 20 0 GHADHO CCOC(=O)[C@](C)(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000470138225 1016734670 /nfs/dbraw/zinc/73/46/70/1016734670.db2.gz ODVJGWRQWXABFW-RUZDIDTESA-N 1 3 394.559 3.804 20 0 GHADHO Cc1cc(C)cc([C@H](N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2cccnc2)c1 ZINC000925042691 1017032516 /nfs/dbraw/zinc/03/25/16/1017032516.db2.gz VCKUBIZFICCGIV-ISKFKSNPSA-N 1 3 378.564 3.546 20 0 GHADHO C[C@@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1ncccc1F ZINC001227165049 1032302740 /nfs/dbraw/zinc/30/27/40/1032302740.db2.gz ORIXKPWOEZJSQD-MRXNPFEDSA-N 1 3 388.531 3.546 20 0 GHADHO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001221394722 1032394542 /nfs/dbraw/zinc/39/45/42/1032394542.db2.gz FSZLHTKQOIKXQS-TZRRMPRUSA-N 1 3 393.575 3.993 20 0 GHADHO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001221394939 1032394577 /nfs/dbraw/zinc/39/45/77/1032394577.db2.gz JEFREKZDJBJHQZ-ZVDOUQERSA-N 1 3 389.584 3.503 20 0 GHADHO c1ccc2c(c1)cc(N1CCCC1)nc2NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155382761 1032526377 /nfs/dbraw/zinc/52/63/77/1032526377.db2.gz IMYACGQEGJQLTF-IBGZPJMESA-N 1 3 380.536 3.796 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001204172364 1032623508 /nfs/dbraw/zinc/62/35/08/1032623508.db2.gz WHIPVSOKWNPXHJ-HSZRJFAPSA-N 1 3 379.548 3.893 20 0 GHADHO COc1cc([C@@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)ccc1SC ZINC000925806837 1017151267 /nfs/dbraw/zinc/15/12/67/1017151267.db2.gz BJYSNDDYOJCDQX-QGZVFWFLSA-N 1 3 385.577 3.673 20 0 GHADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000560527221 1017653313 /nfs/dbraw/zinc/65/33/13/1017653313.db2.gz AUJBXJIBFTXROS-XPWALMASSA-N 1 3 383.580 3.669 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4cccc(C)c4)C3)CC2)CC1 ZINC000571654235 1019696043 /nfs/dbraw/zinc/69/60/43/1019696043.db2.gz KZONHVQDAJSGNB-QFIPXVFZSA-N 1 3 383.580 3.507 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000578319561 1020343802 /nfs/dbraw/zinc/34/38/02/1020343802.db2.gz QIKMSSFRNGXDCY-JPYJTQIMSA-N 1 3 377.532 3.564 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000578319561 1020343812 /nfs/dbraw/zinc/34/38/12/1020343812.db2.gz QIKMSSFRNGXDCY-JPYJTQIMSA-N 1 3 377.532 3.564 20 0 GHADHO CN(Cc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1)C1CC1 ZINC001156318106 1032982489 /nfs/dbraw/zinc/98/24/89/1032982489.db2.gz QJJBDEWZKKHDMK-ACIOBRDBSA-N 1 3 376.548 3.998 20 0 GHADHO CN(Cc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1)C1CC1 ZINC001156318106 1032982497 /nfs/dbraw/zinc/98/24/97/1032982497.db2.gz QJJBDEWZKKHDMK-ACIOBRDBSA-N 1 3 376.548 3.998 20 0 GHADHO OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001204621868 1032998123 /nfs/dbraw/zinc/99/81/23/1032998123.db2.gz PUGOIKPOUHSAKE-UHFFFAOYSA-N 1 3 390.449 3.835 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)[C@H](C)c3ccccc3)cc2)CC1 ZINC000754184394 1022525491 /nfs/dbraw/zinc/52/54/91/1022525491.db2.gz PZWYZDNZGMSWJO-PMACEKPBSA-N 1 3 394.563 3.549 20 0 GHADHO C[N@@H+]1CC[C@@H]2CN(Cc3cnccc3-c3cccc(Br)c3)C[C@@H]2C1 ZINC001138072206 1023993150 /nfs/dbraw/zinc/99/31/50/1023993150.db2.gz USAPMQRYZXVWKN-AEFFLSMTSA-N 1 3 386.337 3.895 20 0 GHADHO C[N@H+]1CC[C@@H]2CN(Cc3cnccc3-c3cccc(Br)c3)C[C@@H]2C1 ZINC001138072206 1023993156 /nfs/dbraw/zinc/99/31/56/1023993156.db2.gz USAPMQRYZXVWKN-AEFFLSMTSA-N 1 3 386.337 3.895 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cnc3[nH]ccc3c1)CC2 ZINC001138743804 1025284624 /nfs/dbraw/zinc/28/46/24/1025284624.db2.gz IFANCEIXLJBAPE-LJQANCHMSA-N 1 3 396.560 3.880 20 0 GHADHO COc1ccc(OC)c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1N ZINC001139277236 1026123305 /nfs/dbraw/zinc/12/33/05/1026123305.db2.gz PMKWXAIGYUAJDS-UXHICEINSA-N 1 3 395.547 3.630 20 0 GHADHO COc1ccc(OC)c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1N ZINC001139277236 1026123316 /nfs/dbraw/zinc/12/33/16/1026123316.db2.gz PMKWXAIGYUAJDS-UXHICEINSA-N 1 3 395.547 3.630 20 0 GHADHO N=C(Nc1ccccc1C(=O)NC1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC001163849173 1026339127 /nfs/dbraw/zinc/33/91/27/1026339127.db2.gz YYFPJJOXIQFDPB-UHFFFAOYSA-N 1 3 380.536 3.774 20 0 GHADHO COC1CC[NH+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CC1 ZINC001139514521 1026370020 /nfs/dbraw/zinc/37/00/20/1026370020.db2.gz JHQCZVBZHVQTRN-UHFFFAOYSA-N 1 3 379.548 3.620 20 0 GHADHO C[C@]1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001139617160 1026481371 /nfs/dbraw/zinc/48/13/71/1026481371.db2.gz KQOUUTJYFINAFU-XMMPIXPASA-N 1 3 390.531 3.933 20 0 GHADHO C[C@]1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001139617160 1026481381 /nfs/dbraw/zinc/48/13/81/1026481381.db2.gz KQOUUTJYFINAFU-XMMPIXPASA-N 1 3 390.531 3.933 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccnc(F)c1)CC2 ZINC001139832079 1026653506 /nfs/dbraw/zinc/65/35/06/1026653506.db2.gz OFYVNYSYEVGFFS-KRWDZBQOSA-N 1 3 375.513 3.538 20 0 GHADHO CCCOc1ccc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1OC ZINC001461143558 1069411576 /nfs/dbraw/zinc/41/15/76/1069411576.db2.gz YCILAHHPOHZVJL-UHFFFAOYSA-N 1 3 397.563 3.521 20 0 GHADHO CCOc1ccccc1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001203542183 1027418062 /nfs/dbraw/zinc/41/80/62/1027418062.db2.gz IWFBIMROLLHZBI-UHFFFAOYSA-N 1 3 395.547 3.595 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(O)c(OC)c2)CC3)c1 ZINC001204114037 1027885293 /nfs/dbraw/zinc/88/52/93/1027885293.db2.gz BIJULIFKTRGGGU-UHFFFAOYSA-N 1 3 396.531 3.898 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(O)c(OC)c2)CC3)c1 ZINC001204114037 1027885301 /nfs/dbraw/zinc/88/53/01/1027885301.db2.gz BIJULIFKTRGGGU-UHFFFAOYSA-N 1 3 396.531 3.898 20 0 GHADHO COc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc(OC)c1O ZINC001204126685 1027899798 /nfs/dbraw/zinc/89/97/98/1027899798.db2.gz LMHJCGDUVBPTAA-SFTDATJTSA-N 1 3 396.531 3.753 20 0 GHADHO COc1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc(OC)c1O ZINC001204126685 1027899817 /nfs/dbraw/zinc/89/98/17/1027899817.db2.gz LMHJCGDUVBPTAA-SFTDATJTSA-N 1 3 396.531 3.753 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC001214153570 1028570642 /nfs/dbraw/zinc/57/06/42/1028570642.db2.gz WHMPCXFVKXZGCC-INIZCTEOSA-N 1 3 382.508 3.980 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC001214153570 1028570648 /nfs/dbraw/zinc/57/06/48/1028570648.db2.gz WHMPCXFVKXZGCC-INIZCTEOSA-N 1 3 382.508 3.980 20 0 GHADHO Clc1ccc2c(c1)nccc2N1CC[NH+](Cc2ccc3nccn3c2)CC1 ZINC001143029349 1029790546 /nfs/dbraw/zinc/79/05/46/1029790546.db2.gz WAFVYDDSDKNTDR-UHFFFAOYSA-N 1 3 377.879 3.858 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843385654 1029953543 /nfs/dbraw/zinc/95/35/43/1029953543.db2.gz BIJSFWHRDXVDFK-NJYVYQBISA-N 1 3 398.595 3.716 20 0 GHADHO Fc1ccc(COc2ccc(CN3CCOCC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001222400703 1030108100 /nfs/dbraw/zinc/10/81/00/1030108100.db2.gz DWURSAOOAMSORF-UHFFFAOYSA-N 1 3 384.495 3.607 20 0 GHADHO FC(F)(F)c1cnc2[nH]cc(C[N@@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)c2c1 ZINC001222601944 1030226357 /nfs/dbraw/zinc/22/63/57/1030226357.db2.gz DUHWLCOMYBESBD-SFHVURJKSA-N 1 3 386.421 3.771 20 0 GHADHO FC(F)(F)c1cnc2[nH]cc(C[N@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)c2c1 ZINC001222601944 1030226375 /nfs/dbraw/zinc/22/63/75/1030226375.db2.gz DUHWLCOMYBESBD-SFHVURJKSA-N 1 3 386.421 3.771 20 0 GHADHO Cc1cc(Br)c(OC(C)C)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222635209 1030251206 /nfs/dbraw/zinc/25/12/06/1030251206.db2.gz RTOSXVLUPLRJJI-IYBDPMFKSA-N 1 3 381.358 3.976 20 0 GHADHO Cc1ccc(-c2ccc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2)o1 ZINC001217371644 1030344929 /nfs/dbraw/zinc/34/49/29/1030344929.db2.gz LNJBBJXXZWYKDC-KRWDZBQOSA-N 1 3 386.540 3.957 20 0 GHADHO Cc1ccc(-c2ccc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2)o1 ZINC001217371644 1030344945 /nfs/dbraw/zinc/34/49/45/1030344945.db2.gz LNJBBJXXZWYKDC-KRWDZBQOSA-N 1 3 386.540 3.957 20 0 GHADHO Cc1cccc2c1C1(C[C@@H]2CC(=O)Nc2cnccc2N(C)C)CC[NH2+]CC1 ZINC001218563106 1030987538 /nfs/dbraw/zinc/98/75/38/1030987538.db2.gz KVJDMEINXQJVBA-KRWDZBQOSA-N 1 3 378.520 3.593 20 0 GHADHO Cc1cccc2c1C1(C[C@@H]2CC(=O)Nc2cc([C@H]3CCCN3)no2)CC[NH2+]CC1 ZINC001218713717 1031045476 /nfs/dbraw/zinc/04/54/76/1031045476.db2.gz UTNXNUNNEALZKZ-FUHWJXTLSA-N 1 3 394.519 3.545 20 0 GHADHO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001218860604 1031120888 /nfs/dbraw/zinc/12/08/88/1031120888.db2.gz GALVEFGNCGWOEV-PKTZIBPZSA-N 1 3 393.531 3.983 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC001220621656 1032022748 /nfs/dbraw/zinc/02/27/48/1032022748.db2.gz JFKNYQXAYCJHPV-NRFANRHFSA-N 1 3 380.621 3.650 20 0 GHADHO CN(C)c1cccc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC001158088095 1033908374 /nfs/dbraw/zinc/90/83/74/1033908374.db2.gz FBPOFNKQPSFXSZ-UHFFFAOYSA-N 1 3 378.442 3.925 20 0 GHADHO Clc1ccnc(N2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001207292375 1034243327 /nfs/dbraw/zinc/24/33/27/1034243327.db2.gz QDUJAFRFERZICW-UHFFFAOYSA-N 1 3 384.955 3.769 20 0 GHADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccc2ccccc21 ZINC001230858186 1034253707 /nfs/dbraw/zinc/25/37/07/1034253707.db2.gz IRODAXUGARPTMI-PGRDOPGGSA-N 1 3 384.568 3.862 20 0 GHADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccc2ccccc21 ZINC001230858186 1034253721 /nfs/dbraw/zinc/25/37/21/1034253721.db2.gz IRODAXUGARPTMI-PGRDOPGGSA-N 1 3 384.568 3.862 20 0 GHADHO C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(CN3CCN(C)CC3)c2)C1 ZINC001159391303 1034576314 /nfs/dbraw/zinc/57/63/14/1034576314.db2.gz QPNCLWWBHRQKST-SESVDKBCSA-N 1 3 393.579 3.804 20 0 GHADHO COCCCOc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231505962 1034650159 /nfs/dbraw/zinc/65/01/59/1034650159.db2.gz WMVQNGZRGKXFPM-GOTSBHOMSA-N 1 3 380.532 3.666 20 0 GHADHO C[NH+](C)CC1(CN2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CCCC1 ZINC001208185221 1034780459 /nfs/dbraw/zinc/78/04/59/1034780459.db2.gz XOGBXLFDNFDJSY-JOCHJYFZSA-N 1 3 379.589 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001208243908 1034831631 /nfs/dbraw/zinc/83/16/31/1034831631.db2.gz QHHVHCRKKAYLRQ-GOSISDBHSA-N 1 3 397.579 3.922 20 0 GHADHO CCN1CCN(c2ccc(Nc3cccc(O[C@H]4CCC[NH2+]C4)c3)cc2)CC1 ZINC001160210840 1034902581 /nfs/dbraw/zinc/90/25/81/1034902581.db2.gz FVFYAXYMJYWUBQ-QHCPKHFHSA-N 1 3 380.536 3.703 20 0 GHADHO CC[NH+]1CCC(CN2CCN([C@@H](C)c3ccc(Br)cc3)CC2)CC1 ZINC001208603870 1034952147 /nfs/dbraw/zinc/95/21/47/1034952147.db2.gz HNCVGPHXNOULLI-KRWDZBQOSA-N 1 3 394.401 3.860 20 0 GHADHO O=C([C@H]1CCC[C@@H](c2ccccc2)N1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160704848 1035039926 /nfs/dbraw/zinc/03/99/26/1035039926.db2.gz PEJYJCWTCHTOER-LEWJYISDSA-N 1 3 375.516 3.538 20 0 GHADHO Cc1cccc(N2CCCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940301 1035108484 /nfs/dbraw/zinc/10/84/84/1035108484.db2.gz QVDZETNOIYMSOT-QHCPKHFHSA-N 1 3 378.564 3.814 20 0 GHADHO Cc1cccc(N2CCCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940301 1035108487 /nfs/dbraw/zinc/10/84/87/1035108487.db2.gz QVDZETNOIYMSOT-QHCPKHFHSA-N 1 3 378.564 3.814 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950397 1035121774 /nfs/dbraw/zinc/12/17/74/1035121774.db2.gz SVEWQQCTCKDBCH-LEWJYISDSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950397 1035121778 /nfs/dbraw/zinc/12/17/78/1035121778.db2.gz SVEWQQCTCKDBCH-LEWJYISDSA-N 1 3 387.568 3.745 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001232146514 1035124542 /nfs/dbraw/zinc/12/45/42/1035124542.db2.gz RQBBNAUPTAOYOH-UHFFFAOYSA-N 1 3 381.539 3.910 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC001232146514 1035124544 /nfs/dbraw/zinc/12/45/44/1035124544.db2.gz RQBBNAUPTAOYOH-UHFFFAOYSA-N 1 3 381.539 3.910 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CCC[C@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001232146513 1035124576 /nfs/dbraw/zinc/12/45/76/1035124576.db2.gz RPGDBRXXAKAAPB-IBGZPJMESA-N 1 3 379.520 3.767 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001232151034 1035130520 /nfs/dbraw/zinc/13/05/20/1035130520.db2.gz JUXIBBJBSSZKDQ-IHPCNDPISA-N 1 3 391.531 3.622 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001232151034 1035130531 /nfs/dbraw/zinc/13/05/31/1035130531.db2.gz JUXIBBJBSSZKDQ-IHPCNDPISA-N 1 3 391.531 3.622 20 0 GHADHO CC(C)(C)c1cc(CN2CCc3ncc(C[NH+]4CCCCC4)n3CC2)ccn1 ZINC001232217645 1035166904 /nfs/dbraw/zinc/16/69/04/1035166904.db2.gz VAVKSJVUFDGDMO-UHFFFAOYSA-N 1 3 381.568 3.620 20 0 GHADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+](CCc1ccc3c(c1)CCO3)CC2 ZINC001209148209 1035193483 /nfs/dbraw/zinc/19/34/83/1035193483.db2.gz YNIFFODAYRMVPK-UHFFFAOYSA-N 1 3 391.559 3.936 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCCOCc1ccccc1)C2 ZINC001209254949 1035223820 /nfs/dbraw/zinc/22/38/20/1035223820.db2.gz VFOKUKDYHCHIDN-ZEQRLZLVSA-N 1 3 386.580 3.664 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCCOCc1ccccc1)C2 ZINC001209254949 1035223828 /nfs/dbraw/zinc/22/38/28/1035223828.db2.gz VFOKUKDYHCHIDN-ZEQRLZLVSA-N 1 3 386.580 3.664 20 0 GHADHO Cc1ccc(Oc2ccccc2C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161449351 1035233570 /nfs/dbraw/zinc/23/35/70/1035233570.db2.gz MEUMROWGPRCOKO-LJQANCHMSA-N 1 3 381.520 3.543 20 0 GHADHO Cc1nc(CN2CCCC23CCN(CCC[NH+]2CCCCC2)CC3)cs1 ZINC001209452012 1035278251 /nfs/dbraw/zinc/27/82/51/1035278251.db2.gz ZKRUQRLFBBAEOI-UHFFFAOYSA-N 1 3 376.614 3.758 20 0 GHADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC001246044707 1037158260 /nfs/dbraw/zinc/15/82/60/1037158260.db2.gz PWZAAPPBBOWTFN-LEWJYISDSA-N 1 3 392.465 3.816 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC001246044707 1037158272 /nfs/dbraw/zinc/15/82/72/1037158272.db2.gz PWZAAPPBBOWTFN-LEWJYISDSA-N 1 3 392.465 3.816 20 0 GHADHO Cc1ccc2c(c1)[C@@H](N[C@H](C)CS(=O)(=O)c1ccccc1)CC21CC[NH2+]CC1 ZINC001246132889 1037209570 /nfs/dbraw/zinc/20/95/70/1037209570.db2.gz IONXMLQXQPTRLB-GCJKJVERSA-N 1 3 398.572 3.513 20 0 GHADHO Brc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN[C@H](Cc3ccccc3)C1)C2 ZINC001246162462 1037217390 /nfs/dbraw/zinc/21/73/90/1037217390.db2.gz DOHIJXLRQUWUFR-PWRODBHTSA-N 1 3 385.349 3.869 20 0 GHADHO O=C(CNC1CCC2(CC[NH2+]CC2)CC1)c1ccc(Br)c(F)c1 ZINC001246212228 1037239859 /nfs/dbraw/zinc/23/98/59/1037239859.db2.gz VUFOFWXOAQATRN-UHFFFAOYSA-N 1 3 383.305 3.673 20 0 GHADHO Clc1cccc(CN2CC[C@H](N[C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246360224 1037319864 /nfs/dbraw/zinc/31/98/64/1037319864.db2.gz GNWQBYRPAYIWAY-VJBWXMMDSA-N 1 3 383.967 3.867 20 0 GHADHO COc1cccc(CN2CC[C@H](N[C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361959 1037323232 /nfs/dbraw/zinc/32/32/32/1037323232.db2.gz PPONRKLZUBANGS-AWRGLXIESA-N 1 3 397.538 3.800 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([NH2+]CC3(Cc4ccccc4)CCOCC3)CCN2)cc1 ZINC001246393784 1037354688 /nfs/dbraw/zinc/35/46/88/1037354688.db2.gz XQASRJDSGRFBDQ-DNQXCXABSA-N 1 3 378.560 3.979 20 0 GHADHO CCCC[C@@H]1C[C@@H](N[C@H]2CCCN(c3nc4ccccc4n3CC)C2)CC[NH2+]1 ZINC001246403974 1037361666 /nfs/dbraw/zinc/36/16/66/1037361666.db2.gz GJIPUTGRWNFVFY-AABGKKOBSA-N 1 3 383.584 3.925 20 0 GHADHO CCCC[C@@H]1C[C@H](N[C@H]2CCCN(c3nc4ccccc4n3CC)C2)CC[NH2+]1 ZINC001246403975 1037362181 /nfs/dbraw/zinc/36/21/81/1037362181.db2.gz GJIPUTGRWNFVFY-AQNXPRMDSA-N 1 3 383.584 3.925 20 0 GHADHO CC[C@@H]1C[C@@H](N[C@H]2CCCN(c3nc4ccccc4n3CC)C2)C[C@H](CC)[NH2+]1 ZINC001246408617 1037363061 /nfs/dbraw/zinc/36/30/61/1037363061.db2.gz VXFIPPRJLYDFSZ-YRPNKDGESA-N 1 3 383.584 3.924 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH2+]C2CCN(c3nc4ccccc4n3CC)CC2)CCN1 ZINC001246407683 1037363865 /nfs/dbraw/zinc/36/38/65/1037363865.db2.gz SMFSGHGTFLZXFH-UXHICEINSA-N 1 3 383.584 3.925 20 0 GHADHO C[C@@H]1CC([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)C[C@@H](C)N1 ZINC001246417818 1037372589 /nfs/dbraw/zinc/37/25/89/1037372589.db2.gz VTGVHNQEGGUUBK-HZPDHXFCSA-N 1 3 395.385 3.907 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H](C2CCC2)C2CNC2)CC1 ZINC001246519314 1037455037 /nfs/dbraw/zinc/45/50/37/1037455037.db2.gz RNJRYRMJUKWFAU-FUHYEJFZSA-N 1 3 390.955 3.671 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001462192901 1070070946 /nfs/dbraw/zinc/07/09/46/1070070946.db2.gz QSDUYCLUEZDZCW-KRWDZBQOSA-N 1 3 385.499 3.729 20 0 GHADHO C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)CCN1 ZINC001246657214 1037530950 /nfs/dbraw/zinc/53/09/50/1037530950.db2.gz GOIQOHXTOOLLSE-GIVPXCGWSA-N 1 3 395.591 3.564 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)CC[NH2+]1 ZINC001246657214 1037530972 /nfs/dbraw/zinc/53/09/72/1037530972.db2.gz GOIQOHXTOOLLSE-GIVPXCGWSA-N 1 3 395.591 3.564 20 0 GHADHO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246678637 1037542444 /nfs/dbraw/zinc/54/24/44/1037542444.db2.gz PAJQHRFHVATMDP-GOTSBHOMSA-N 1 3 380.532 3.805 20 0 GHADHO CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246678637 1037542452 /nfs/dbraw/zinc/54/24/52/1037542452.db2.gz PAJQHRFHVATMDP-GOTSBHOMSA-N 1 3 380.532 3.805 20 0 GHADHO CCCC[C@H]1C[C@@H](N2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CC[NH2+]1 ZINC001246727146 1037577787 /nfs/dbraw/zinc/57/77/87/1037577787.db2.gz USEGMPSFMHIKSI-FKEBYFGASA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CCN1 ZINC001246727146 1037577790 /nfs/dbraw/zinc/57/77/90/1037577790.db2.gz USEGMPSFMHIKSI-FKEBYFGASA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@H]1C[C@@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CCN1 ZINC001246727146 1037577800 /nfs/dbraw/zinc/57/78/00/1037577800.db2.gz USEGMPSFMHIKSI-FKEBYFGASA-N 1 3 375.601 3.943 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246761380 1037605242 /nfs/dbraw/zinc/60/52/42/1037605242.db2.gz BBPZNLMQQFXPIQ-WQFQCULDSA-N 1 3 391.506 3.560 20 0 GHADHO O=C1N(CC2CC2)c2ccccc2[C@@]12CCN([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246808170 1037642838 /nfs/dbraw/zinc/64/28/38/1037642838.db2.gz RLPLFYUUXMVLAD-CPJSRVTESA-N 1 3 393.575 3.842 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952822 1037758648 /nfs/dbraw/zinc/75/86/48/1037758648.db2.gz WYPANSNMKMJBFQ-UWJYYQICSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952822 1037758665 /nfs/dbraw/zinc/75/86/65/1037758665.db2.gz WYPANSNMKMJBFQ-UWJYYQICSA-N 1 3 376.516 3.810 20 0 GHADHO C[C@@H]1CN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H](C)CN1Cc1ccccc1 ZINC001246984583 1037810188 /nfs/dbraw/zinc/81/01/88/1037810188.db2.gz MHWIQZXXBUXKGR-ZLSIYFNSSA-N 1 3 377.576 3.945 20 0 GHADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001232433208 1038212503 /nfs/dbraw/zinc/21/25/03/1038212503.db2.gz OIOVXEBRFQMGTO-UXHICEINSA-N 1 3 385.552 3.758 20 0 GHADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001232433208 1038212519 /nfs/dbraw/zinc/21/25/19/1038212519.db2.gz OIOVXEBRFQMGTO-UXHICEINSA-N 1 3 385.552 3.758 20 0 GHADHO c1[nH]c2nccnc2c1CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001232547472 1038313612 /nfs/dbraw/zinc/31/36/12/1038313612.db2.gz AKRRIAVOHRCEFR-UHFFFAOYSA-N 1 3 375.520 3.788 20 0 GHADHO COc1cccc(C)c1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001232622944 1038411174 /nfs/dbraw/zinc/41/11/74/1038411174.db2.gz XSBUZHLRVHCYMU-UHFFFAOYSA-N 1 3 395.547 3.513 20 0 GHADHO Oc1ccc2[nH]cc(CN3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001232865530 1038630503 /nfs/dbraw/zinc/63/05/03/1038630503.db2.gz AJFKYRZXNNUTTK-UHFFFAOYSA-N 1 3 376.504 3.757 20 0 GHADHO Oc1ccc2[nH]cc(CN3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001232865530 1038630508 /nfs/dbraw/zinc/63/05/08/1038630508.db2.gz AJFKYRZXNNUTTK-UHFFFAOYSA-N 1 3 376.504 3.757 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4ncoc4c3)C[C@H]21 ZINC001232942490 1038721758 /nfs/dbraw/zinc/72/17/58/1038721758.db2.gz ZXJKHEKSMZHBQH-SYYKKAFVSA-N 1 3 376.504 3.955 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4ncoc4c3)C[C@H]21 ZINC001232942490 1038721764 /nfs/dbraw/zinc/72/17/64/1038721764.db2.gz ZXJKHEKSMZHBQH-SYYKKAFVSA-N 1 3 376.504 3.955 20 0 GHADHO COc1c(O)cccc1CN1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001233255351 1039022392 /nfs/dbraw/zinc/02/23/92/1039022392.db2.gz MAQDAFKCQZINOD-UHFFFAOYSA-N 1 3 381.520 3.672 20 0 GHADHO COc1c(O)cccc1CN1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001233255351 1039022416 /nfs/dbraw/zinc/02/24/16/1039022416.db2.gz MAQDAFKCQZINOD-UHFFFAOYSA-N 1 3 381.520 3.672 20 0 GHADHO COCOc1cccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281196 1039055636 /nfs/dbraw/zinc/05/56/36/1039055636.db2.gz RAYFBRCTXRTMOD-ZTCOLXNVSA-N 1 3 395.547 3.797 20 0 GHADHO COCOc1cccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281196 1039055658 /nfs/dbraw/zinc/05/56/58/1039055658.db2.gz RAYFBRCTXRTMOD-ZTCOLXNVSA-N 1 3 395.547 3.797 20 0 GHADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252761891 1039151319 /nfs/dbraw/zinc/15/13/19/1039151319.db2.gz XLCRXLLYJMIRQS-FYYLOGMGSA-N 1 3 396.575 3.836 20 0 GHADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252761891 1039151321 /nfs/dbraw/zinc/15/13/21/1039151321.db2.gz XLCRXLLYJMIRQS-FYYLOGMGSA-N 1 3 396.575 3.836 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254046763 1039974945 /nfs/dbraw/zinc/97/49/45/1039974945.db2.gz BIIDNANUVXNCJU-OAQYLSRUSA-N 1 3 382.548 3.687 20 0 GHADHO COc1ccc([C@H](C)NCc2c(C)c(C)n[nH]c2=O)cc1C[NH+]1CCCCC1 ZINC001254145141 1040008214 /nfs/dbraw/zinc/00/82/14/1040008214.db2.gz OPISWAGZNKNCLN-KRWDZBQOSA-N 1 3 384.524 3.644 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCCCC3)C2)cc1 ZINC001254392682 1040206706 /nfs/dbraw/zinc/20/67/06/1040206706.db2.gz VHXYKOUIKHUSIB-GMAHTHKFSA-N 1 3 398.595 3.666 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CC[N@H+]3C3CCCCCC3)C2)cc1 ZINC001254392682 1040206720 /nfs/dbraw/zinc/20/67/20/1040206720.db2.gz VHXYKOUIKHUSIB-GMAHTHKFSA-N 1 3 398.595 3.666 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CC[N@@H+]3C3CCCCCC3)C2)cc1 ZINC001254392679 1040207434 /nfs/dbraw/zinc/20/74/34/1040207434.db2.gz VHXYKOUIKHUSIB-FYYLOGMGSA-N 1 3 398.595 3.666 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CC[N@H+]3C3CCCCCC3)C2)cc1 ZINC001254392679 1040207438 /nfs/dbraw/zinc/20/74/38/1040207438.db2.gz VHXYKOUIKHUSIB-FYYLOGMGSA-N 1 3 398.595 3.666 20 0 GHADHO C[N@@H+]1CCC[C@@H](N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)CC1 ZINC001254520869 1040295859 /nfs/dbraw/zinc/29/58/59/1040295859.db2.gz FYMASFDFXJZNGV-HXUWFJFHSA-N 1 3 381.564 3.651 20 0 GHADHO C[N@H+]1CCC[C@@H](N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)CC1 ZINC001254520869 1040295877 /nfs/dbraw/zinc/29/58/77/1040295877.db2.gz FYMASFDFXJZNGV-HXUWFJFHSA-N 1 3 381.564 3.651 20 0 GHADHO COC(=O)c1cc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)ccc1OC ZINC001234964554 1040466862 /nfs/dbraw/zinc/46/68/62/1040466862.db2.gz XVQJABSYNORKGE-UHFFFAOYSA-N 1 3 398.503 3.563 20 0 GHADHO COC(=O)c1cc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)ccc1OC ZINC001234964554 1040466867 /nfs/dbraw/zinc/46/68/67/1040466867.db2.gz XVQJABSYNORKGE-UHFFFAOYSA-N 1 3 398.503 3.563 20 0 GHADHO c1ccc(COc2cc(CN3CCC4(CC[NH2+]C4)CC3)cc3c2OCO3)cc1 ZINC001235105696 1040593511 /nfs/dbraw/zinc/59/35/11/1040593511.db2.gz GTUZWMDHNFGYBK-UHFFFAOYSA-N 1 3 380.488 3.570 20 0 GHADHO COc1cc(OC)c(CN2CCCC[C@H]2C2CC[NH2+]CC2)cc1Br ZINC001235154263 1040648940 /nfs/dbraw/zinc/64/89/40/1040648940.db2.gz KOPIKKLNEWLSIK-KRWDZBQOSA-N 1 3 397.357 3.820 20 0 GHADHO CC1(C)CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC001235179894 1040669407 /nfs/dbraw/zinc/66/94/07/1040669407.db2.gz CBPWNHABHOKZQY-FQEVSTJZSA-N 1 3 386.584 3.603 20 0 GHADHO CCc1cccc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001235254151 1040738364 /nfs/dbraw/zinc/73/83/64/1040738364.db2.gz OMQXUVWBRYYVGR-HSZRJFAPSA-N 1 3 379.548 3.900 20 0 GHADHO CCc1cccc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001235254151 1040738379 /nfs/dbraw/zinc/73/83/79/1040738379.db2.gz OMQXUVWBRYYVGR-HSZRJFAPSA-N 1 3 379.548 3.900 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC(Oc4cnccn4)CC2)C3)cc1 ZINC001255146461 1040860913 /nfs/dbraw/zinc/86/09/13/1040860913.db2.gz GYYXOWYINZAPPU-WKCHPHFGSA-N 1 3 378.520 3.515 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001255197906 1040902359 /nfs/dbraw/zinc/90/23/59/1040902359.db2.gz BKVLNHBIYQUZFG-AYWYSENESA-N 1 3 375.557 3.549 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)C1CCN(C3CCCCC3)CC1)C2 ZINC001255216894 1040910895 /nfs/dbraw/zinc/91/08/95/1040910895.db2.gz HZZNXFHTUNGVHI-WKCHPHFGSA-N 1 3 377.573 3.867 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)C1CCN(C3CCCCC3)CC1)C2 ZINC001255216894 1040910896 /nfs/dbraw/zinc/91/08/96/1040910896.db2.gz HZZNXFHTUNGVHI-WKCHPHFGSA-N 1 3 377.573 3.867 20 0 GHADHO Brc1cnc2[nH]cc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235424323 1040926414 /nfs/dbraw/zinc/92/64/14/1040926414.db2.gz GVXMKUBEIIYPJD-ZIAGYGMSSA-N 1 3 377.330 3.537 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001462502325 1070306184 /nfs/dbraw/zinc/30/61/84/1070306184.db2.gz FVRZAZOCVIZJJN-SVLHEACOSA-N 1 3 396.934 3.932 20 0 GHADHO Cc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1I ZINC001235429631 1040931402 /nfs/dbraw/zinc/93/14/02/1040931402.db2.gz BSDZWQJXFSRDRG-IAGOWNOFSA-N 1 3 398.332 3.811 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)oc2c1 ZINC001235431298 1040932476 /nfs/dbraw/zinc/93/24/76/1040932476.db2.gz NJGKNTGMHVZMIK-UONOGXRCSA-N 1 3 378.314 3.802 20 0 GHADHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN(CCC[NH2+]C1CCCCC1)CC2 ZINC001235520035 1040974549 /nfs/dbraw/zinc/97/45/49/1040974549.db2.gz YRAUBVLNDBJIKP-OAQYLSRUSA-N 1 3 389.584 3.647 20 0 GHADHO COc1cccc(N2CC[NH+]([C@H]3CCCN(Cc4ccccc4)CC3)CC2)c1 ZINC001255399259 1040984626 /nfs/dbraw/zinc/98/46/26/1040984626.db2.gz PQYPTFHURQDIJQ-QFIPXVFZSA-N 1 3 379.548 3.872 20 0 GHADHO Clc1cccc(OC2CCN(Cc3ccccc3N3CC[NH2+]CC3)CC2)c1 ZINC001235689505 1041160456 /nfs/dbraw/zinc/16/04/56/1041160456.db2.gz ZOKXCQOXWDSWJU-UHFFFAOYSA-N 1 3 385.939 3.793 20 0 GHADHO Cc1ccc(CN2CCOC3(CCN(C4C[C@H]5CCC[C@@H](C4)[N@H+]5C)CC3)C2)cc1 ZINC001255679066 1041210018 /nfs/dbraw/zinc/21/00/18/1041210018.db2.gz QIVMHMLIENSPHL-VSGJHWFKSA-N 1 3 397.607 3.677 20 0 GHADHO Cc1ccc(CN2CCOC3(CCN(C4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)CC3)C2)cc1 ZINC001255679066 1041210037 /nfs/dbraw/zinc/21/00/37/1041210037.db2.gz QIVMHMLIENSPHL-VSGJHWFKSA-N 1 3 397.607 3.677 20 0 GHADHO Cn1cc(CN2CCCC23CC[NH+]([C@H]2CCC[C@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717031 1041244104 /nfs/dbraw/zinc/24/41/04/1041244104.db2.gz PZWQWXLNAUHZMD-ROUUACIJSA-N 1 3 384.490 3.972 20 0 GHADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3cc(F)c(Cl)cc3Cl)C[C@H]2CC1 ZINC001278897939 1041428158 /nfs/dbraw/zinc/42/81/58/1041428158.db2.gz YDDUTOFTHOJBSV-GASCZTMLSA-N 1 3 388.358 3.838 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3cc(F)c(Cl)cc3Cl)C[C@H]2CC1 ZINC001278897939 1041428166 /nfs/dbraw/zinc/42/81/66/1041428166.db2.gz YDDUTOFTHOJBSV-GASCZTMLSA-N 1 3 388.358 3.838 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001255958723 1041435891 /nfs/dbraw/zinc/43/58/91/1041435891.db2.gz FFGRJXWYYNAZGG-RCCFBDPRSA-N 1 3 385.568 3.682 20 0 GHADHO Clc1ccc(Cn2cc(CN3C[C@@H]4CC[NH2+]C[C@H]4C3)c3ccccc32)cn1 ZINC001235935780 1041439361 /nfs/dbraw/zinc/43/93/61/1041439361.db2.gz FCYUWFMUEKRVAD-ROUUACIJSA-N 1 3 380.923 3.779 20 0 GHADHO CCCN(C(=O)NCC[N@@H+]1CCC[C@H]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001256034208 1041484918 /nfs/dbraw/zinc/48/49/18/1041484918.db2.gz WSGFWYNBTMSPKT-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO CCCN(C(=O)NCC[N@H+]1CCC[C@H]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001256034208 1041484937 /nfs/dbraw/zinc/48/49/37/1041484937.db2.gz WSGFWYNBTMSPKT-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001236097473 1041532758 /nfs/dbraw/zinc/53/27/58/1041532758.db2.gz KLKXQGMSKTYDIV-CTNGQTDRSA-N 1 3 384.545 3.705 20 0 GHADHO COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001236097473 1041532766 /nfs/dbraw/zinc/53/27/66/1041532766.db2.gz KLKXQGMSKTYDIV-CTNGQTDRSA-N 1 3 384.545 3.705 20 0 GHADHO COCCCOc1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1OC ZINC001236374937 1041687552 /nfs/dbraw/zinc/68/75/52/1041687552.db2.gz GRZUHCGYZRSZQA-FQEVSTJZSA-N 1 3 390.568 3.855 20 0 GHADHO COc1ccc2c(c1)[nH]nc2CN(Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236385582 1041693190 /nfs/dbraw/zinc/69/31/90/1041693190.db2.gz XBYYVZOQFWLUHP-UHFFFAOYSA-N 1 3 382.483 3.712 20 0 GHADHO Clc1ccc(N2CCC([NH2+]C3CCN(CC4CCOCC4)CC3)CC2)cc1 ZINC001256305151 1041694103 /nfs/dbraw/zinc/69/41/03/1041694103.db2.gz YCDYSIPHOGJDNM-UHFFFAOYSA-N 1 3 391.987 3.789 20 0 GHADHO COc1ccc(C[N@H+](C[C@@H](C)Cc2ccc3c(c2)OCO3)C2CCNCC2)cc1 ZINC001236439414 1041711976 /nfs/dbraw/zinc/71/19/76/1041711976.db2.gz FMRTWPKLELZWLH-SFHVURJKSA-N 1 3 396.531 3.857 20 0 GHADHO COc1ccc(C[N@@H+](C[C@@H](C)Cc2ccc3c(c2)OCO3)C2CCNCC2)cc1 ZINC001236439414 1041711985 /nfs/dbraw/zinc/71/19/85/1041711985.db2.gz FMRTWPKLELZWLH-SFHVURJKSA-N 1 3 396.531 3.857 20 0 GHADHO COC(=O)c1ccc(CN(C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1 ZINC001236571710 1041765826 /nfs/dbraw/zinc/76/58/26/1041765826.db2.gz ARODVFHHIOVWIE-JCNLHEQBSA-N 1 3 395.341 3.860 20 0 GHADHO [NH3+]C1CCN([C@H]2CCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)C2)CC1 ZINC001236620392 1041786419 /nfs/dbraw/zinc/78/64/19/1041786419.db2.gz CBAGAKSBTYYJGS-NRFANRHFSA-N 1 3 399.966 3.916 20 0 GHADHO N[C@H]1CC[N@@H+](C2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)CC2)C1 ZINC001236621290 1041787705 /nfs/dbraw/zinc/78/77/05/1041787705.db2.gz KLHWPRYKNCRSEQ-FQEVSTJZSA-N 1 3 399.966 3.916 20 0 GHADHO N[C@H]1CC[N@H+](C2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)CC2)C1 ZINC001236621290 1041787710 /nfs/dbraw/zinc/78/77/10/1041787710.db2.gz KLHWPRYKNCRSEQ-FQEVSTJZSA-N 1 3 399.966 3.916 20 0 GHADHO [NH3+][C@H]1CC[C@H](N(Cc2ccc3c(c2)OC(F)(F)O3)Cc2ccccn2)CC1 ZINC001236670998 1041818172 /nfs/dbraw/zinc/81/81/72/1041818172.db2.gz AMLLAXGKUNKITI-JCNLHEQBSA-N 1 3 375.419 3.675 20 0 GHADHO CCOC(=O)c1ccc(CN(Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)nc1 ZINC001236740747 1041869097 /nfs/dbraw/zinc/86/90/97/1041869097.db2.gz FXYVQHPVFJSYGJ-AQYVVDRMSA-N 1 3 381.520 3.839 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cccc4c3OCC4)C[C@H]21 ZINC001237748991 1042351921 /nfs/dbraw/zinc/35/19/21/1042351921.db2.gz HSLWZTJDCHFQRD-UEVCKROQSA-N 1 3 377.532 3.749 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cccc4c3OCC4)C[C@H]21 ZINC001237748991 1042351929 /nfs/dbraw/zinc/35/19/29/1042351929.db2.gz HSLWZTJDCHFQRD-UEVCKROQSA-N 1 3 377.532 3.749 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ncc(C)cc1C)CC2 ZINC001238429379 1042593642 /nfs/dbraw/zinc/59/36/42/1042593642.db2.gz LTIUMEXBJRBEBT-QFIPXVFZSA-N 1 3 394.563 3.597 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ncc(C)cc1C)CC2 ZINC001238429379 1042593644 /nfs/dbraw/zinc/59/36/44/1042593644.db2.gz LTIUMEXBJRBEBT-QFIPXVFZSA-N 1 3 394.563 3.597 20 0 GHADHO Fc1ccc(CC[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001278238031 1042609628 /nfs/dbraw/zinc/60/96/28/1042609628.db2.gz VCGPOJVSHISRAN-UHFFFAOYSA-N 1 3 376.907 3.733 20 0 GHADHO CN(C)CC[N@@H+]1CCCC2(CCN(CCc3ccc(F)cc3Cl)CC2)C1 ZINC001278238704 1042611509 /nfs/dbraw/zinc/61/15/09/1042611509.db2.gz PTIKZBGDTCZQQM-UHFFFAOYSA-N 1 3 381.967 3.761 20 0 GHADHO CN(C)CC[N@H+]1CCCC2(CCN(CCc3ccc(F)cc3Cl)CC2)C1 ZINC001278238704 1042611511 /nfs/dbraw/zinc/61/15/11/1042611511.db2.gz PTIKZBGDTCZQQM-UHFFFAOYSA-N 1 3 381.967 3.761 20 0 GHADHO Cc1cccc(N2CCCN([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552418 1043515299 /nfs/dbraw/zinc/51/52/99/1043515299.db2.gz CBSZKVOVAZGUCP-GGAORHGYSA-N 1 3 378.564 3.955 20 0 GHADHO Cc1cccc(N2CCCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552418 1043515311 /nfs/dbraw/zinc/51/53/11/1043515311.db2.gz CBSZKVOVAZGUCP-GGAORHGYSA-N 1 3 378.564 3.955 20 0 GHADHO C[C@@H]1C[C@@H](n2nc(C(F)(F)F)c3c2CCNC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552954 1043519484 /nfs/dbraw/zinc/51/94/84/1043519484.db2.gz DIFTZPMBSVGZLQ-ZBFHGGJFSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@@H]1C[C@@H](n2nc(C(F)(F)F)c3c2CCNC3)CC[N@H+]1Cc1ccccc1 ZINC001256552954 1043519491 /nfs/dbraw/zinc/51/94/91/1043519491.db2.gz DIFTZPMBSVGZLQ-ZBFHGGJFSA-N 1 3 378.442 3.773 20 0 GHADHO CC(C)(C)N1CCC([NH2+][C@H]2CCN(Cc3ccccc3Br)C2)CC1 ZINC001256566676 1043539506 /nfs/dbraw/zinc/53/95/06/1043539506.db2.gz XKXCTTWXIUYPSV-SFHVURJKSA-N 1 3 394.401 3.876 20 0 GHADHO CC(C)(C)N1CCC([N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC1 ZINC001256572231 1043544482 /nfs/dbraw/zinc/54/44/82/1043544482.db2.gz DOGGAOMQUQDKOF-UHFFFAOYSA-N 1 3 382.527 3.946 20 0 GHADHO CC(C)(C)N1CCC([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC1 ZINC001256572231 1043544492 /nfs/dbraw/zinc/54/44/92/1043544492.db2.gz DOGGAOMQUQDKOF-UHFFFAOYSA-N 1 3 382.527 3.946 20 0 GHADHO FC1(F)CCC(Cc2cccnc2)([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256685356 1043621203 /nfs/dbraw/zinc/62/12/03/1043621203.db2.gz DLBQAADYNAQHTK-UHFFFAOYSA-N 1 3 393.522 3.805 20 0 GHADHO FC(F)(F)c1cc([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)ccn1 ZINC001256687038 1043622229 /nfs/dbraw/zinc/62/22/29/1043622229.db2.gz KQCRRGXMQHQLRT-FAFZWHIHSA-N 1 3 383.458 3.785 20 0 GHADHO COc1cccc2c1CC[C@H](CCC[NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256686699 1043622627 /nfs/dbraw/zinc/62/26/27/1043622627.db2.gz BUQXBPCCHNBJDW-KPQWGBOZSA-N 1 3 386.580 3.813 20 0 GHADHO CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)C1CCC(N2CCOCC2)CC1 ZINC001256695635 1043626821 /nfs/dbraw/zinc/62/68/21/1043626821.db2.gz HSWLOLUFOLMUKJ-MWXLCCTBSA-N 1 3 387.568 3.677 20 0 GHADHO CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)C1CCC(N2CCOCC2)CC1 ZINC001256695635 1043626832 /nfs/dbraw/zinc/62/68/32/1043626832.db2.gz HSWLOLUFOLMUKJ-MWXLCCTBSA-N 1 3 387.568 3.677 20 0 GHADHO CC(C)[NH+]1CCC(N2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001257218056 1043940218 /nfs/dbraw/zinc/94/02/18/1043940218.db2.gz XWMPIELNUDNVBG-HSZRJFAPSA-N 1 3 389.559 3.617 20 0 GHADHO CN1CC2(C1)CC[NH+]([C@H]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2 ZINC001257817284 1044199103 /nfs/dbraw/zinc/19/91/03/1044199103.db2.gz XPTDVGFFGARECJ-RXVVDRJESA-N 1 3 377.573 3.584 20 0 GHADHO CCOC(=O)CC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC001258024552 1044350070 /nfs/dbraw/zinc/35/00/70/1044350070.db2.gz ZQRTXEOCOZBQCA-CIAQSOCLSA-N 1 3 384.564 3.999 20 0 GHADHO CC[NH+](CC)CCCN1CCN(C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258545236 1044621827 /nfs/dbraw/zinc/62/18/27/1044621827.db2.gz WSMKVWLUZVIASX-UHFFFAOYSA-N 1 3 393.019 3.658 20 0 GHADHO C[C@H](Cc1cccnc1)[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001258624137 1044673203 /nfs/dbraw/zinc/67/32/03/1044673203.db2.gz DXPWKOXFNMLTAI-NFBKMPQASA-N 1 3 379.548 3.768 20 0 GHADHO CCC[NH+]1CCC(N2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)CC1 ZINC001258772909 1044756207 /nfs/dbraw/zinc/75/62/07/1044756207.db2.gz BUIUMUZNTCMNTO-HXUWFJFHSA-N 1 3 391.625 3.678 20 0 GHADHO COc1cc(C[C@@H](C)N[C@@H](CC[NH+](C)C)c2ccccc2)cc(OC)c1OC ZINC001258864167 1044803441 /nfs/dbraw/zinc/80/34/41/1044803441.db2.gz ZARYQTKCRVULQS-XLIONFOSSA-N 1 3 386.536 3.926 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001297605264 1045586625 /nfs/dbraw/zinc/58/66/25/1045586625.db2.gz HQGWDIKASGLITD-UYAOXDASSA-N 1 3 377.598 3.601 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001297605264 1045586643 /nfs/dbraw/zinc/58/66/43/1045586643.db2.gz HQGWDIKASGLITD-UYAOXDASSA-N 1 3 377.598 3.601 20 0 GHADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001298763618 1045941692 /nfs/dbraw/zinc/94/16/92/1045941692.db2.gz KTPQIAYJKCYHAN-HXUWFJFHSA-N 1 3 379.548 3.923 20 0 GHADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001298763618 1045941696 /nfs/dbraw/zinc/94/16/96/1045941696.db2.gz KTPQIAYJKCYHAN-HXUWFJFHSA-N 1 3 379.548 3.923 20 0 GHADHO [NH2+]=C(NCCCCOc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC001261566924 1046027146 /nfs/dbraw/zinc/02/71/46/1046027146.db2.gz JZQNWIMOBGTYNY-UHFFFAOYSA-N 1 3 380.536 3.624 20 0 GHADHO CCCN(C(=O)c1cc2c(s1)CCNC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001263246012 1046654768 /nfs/dbraw/zinc/65/47/68/1046654768.db2.gz CGICFLBHNDJPOK-UHFFFAOYSA-N 1 3 397.588 3.911 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001301866177 1046734367 /nfs/dbraw/zinc/73/43/67/1046734367.db2.gz AFIWGCOUKCMDNH-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO COCc1ccc(C[NH2+][C@@]23CC[C@@](NCc4scnc4C)(C2)CCC3)o1 ZINC001279306873 1047761835 /nfs/dbraw/zinc/76/18/35/1047761835.db2.gz UVEIZJZHYPLZSR-VQTJNVASSA-N 1 3 375.538 3.916 20 0 GHADHO CCCCCCN(C)CC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305106179 1047905648 /nfs/dbraw/zinc/90/56/48/1047905648.db2.gz FDQLZVAVWKRWBS-VJBWXMMDSA-N 1 3 385.596 3.915 20 0 GHADHO CCCCCCN(C)CC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305106179 1047905656 /nfs/dbraw/zinc/90/56/56/1047905656.db2.gz FDQLZVAVWKRWBS-VJBWXMMDSA-N 1 3 385.596 3.915 20 0 GHADHO CC(C)c1cc(Br)cc(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001280317347 1048179600 /nfs/dbraw/zinc/17/96/00/1048179600.db2.gz BKUIENCGYRTKLV-FXAWDEMLSA-N 1 3 394.401 3.640 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4cc(C(C)C)ccc4C3)CC2)CC1 ZINC001305963357 1048339766 /nfs/dbraw/zinc/33/97/66/1048339766.db2.gz JLMFLBNTZFYFCR-UHFFFAOYSA-N 1 3 397.607 3.891 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC001306840489 1048922922 /nfs/dbraw/zinc/92/29/22/1048922922.db2.gz DBIVLPAXVYWMMI-OFAXGOBFSA-N 1 3 397.563 3.850 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2csc(Br)c2)[C@@H](C)C1 ZINC001307709012 1049524257 /nfs/dbraw/zinc/52/42/57/1049524257.db2.gz PSABUSCDMZMXTD-DZGCQCFKSA-N 1 3 375.376 3.737 20 0 GHADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3cn(C4CC4)cn3)cc2)C[C@H]1C ZINC001308352509 1049956220 /nfs/dbraw/zinc/95/62/20/1049956220.db2.gz FEJUIQDTFUDGIZ-KDURUIRLSA-N 1 3 382.552 3.517 20 0 GHADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3cn(C4CC4)cn3)cc2)C[C@H]1C ZINC001308352509 1049956228 /nfs/dbraw/zinc/95/62/28/1049956228.db2.gz FEJUIQDTFUDGIZ-KDURUIRLSA-N 1 3 382.552 3.517 20 0 GHADHO CN1CCN(c2ccc(CC[NH2+]Cc3csc(-c4ccsc4)n3)cc2)CC1 ZINC001308555098 1050006896 /nfs/dbraw/zinc/00/68/96/1050006896.db2.gz MUBINNRHDSNSJR-UHFFFAOYSA-N 1 3 398.601 3.956 20 0 GHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001308629242 1050039638 /nfs/dbraw/zinc/03/96/38/1050039638.db2.gz OGZSFQBKJKJFHK-HXUWFJFHSA-N 1 3 387.568 3.745 20 0 GHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001308629242 1050039645 /nfs/dbraw/zinc/03/96/45/1050039645.db2.gz OGZSFQBKJKJFHK-HXUWFJFHSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(NCc3ccccc3)CC2)C1 ZINC001327879354 1050311780 /nfs/dbraw/zinc/31/17/80/1050311780.db2.gz FMXXHGRCYUOGPX-FQEVSTJZSA-N 1 3 387.568 3.888 20 0 GHADHO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc4c(c3)CNCC4)c2)CC1 ZINC001329283639 1050768752 /nfs/dbraw/zinc/76/87/52/1050768752.db2.gz MOTNNOARARFTDC-UHFFFAOYSA-N 1 3 377.532 3.859 20 0 GHADHO C[NH+](C)CC[C@@H](NC1CCC(CNC(=O)OC(C)(C)C)CC1)c1cccnc1 ZINC001353932959 1056145748 /nfs/dbraw/zinc/14/57/48/1056145748.db2.gz PKXXRVNMIBGHPF-LYBXBRPPSA-N 1 3 390.572 3.748 20 0 GHADHO CC[NH+]1CCC(CCNCc2cc(OC)c(OC)cc2Br)CC1 ZINC001200783807 1056944169 /nfs/dbraw/zinc/94/41/69/1056944169.db2.gz HKTBNFNNOUFIAV-UHFFFAOYSA-N 1 3 385.346 3.678 20 0 GHADHO CC[N@@H+](Cc1ccc(/C=C/C(=O)OC)o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000848889045 1057398649 /nfs/dbraw/zinc/39/86/49/1057398649.db2.gz GLYWRKQRTFSGMO-YVNCXZRQSA-N 1 3 382.504 3.810 20 0 GHADHO CC[N@H+](Cc1ccc(/C=C/C(=O)OC)o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000848889045 1057398653 /nfs/dbraw/zinc/39/86/53/1057398653.db2.gz GLYWRKQRTFSGMO-YVNCXZRQSA-N 1 3 382.504 3.810 20 0 GHADHO CC(C)[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)Nc1ccccc1 ZINC000849056332 1057567529 /nfs/dbraw/zinc/56/75/29/1057567529.db2.gz DKYBUCVZYNCHGD-HSZRJFAPSA-N 1 3 393.579 3.902 20 0 GHADHO COc1cccc(C2(CNC(=[NH2+])NC3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000849085682 1057587991 /nfs/dbraw/zinc/58/79/91/1057587991.db2.gz VXCHFURLQGEVPU-UHFFFAOYSA-N 1 3 392.547 3.505 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001450132461 1060537963 /nfs/dbraw/zinc/53/79/63/1060537963.db2.gz PGUYCTSZOUYRBF-VQTJNVASSA-N 1 3 377.598 3.638 20 0 GHADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001452977178 1061055641 /nfs/dbraw/zinc/05/56/41/1061055641.db2.gz RMFPJRFPNVILQA-JOCHJYFZSA-N 1 3 390.531 3.680 20 0 GHADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001452977178 1061055652 /nfs/dbraw/zinc/05/56/52/1061055652.db2.gz RMFPJRFPNVILQA-JOCHJYFZSA-N 1 3 390.531 3.680 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC001459422589 1064095089 /nfs/dbraw/zinc/09/50/89/1064095089.db2.gz BLDGBRGVUGBRMD-JOCHJYFZSA-N 1 3 385.596 3.868 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC001459422589 1064095096 /nfs/dbraw/zinc/09/50/96/1064095096.db2.gz BLDGBRGVUGBRMD-JOCHJYFZSA-N 1 3 385.596 3.868 20 0 GHADHO CC(C)(C)OC(=O)N(CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC001459783917 1064216022 /nfs/dbraw/zinc/21/60/22/1064216022.db2.gz BWJLQZGDKNJYAV-YLJYHZDGSA-N 1 3 377.573 3.725 20 0 GHADHO CC(C)(C)OC(=O)N(CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC001459783917 1064216027 /nfs/dbraw/zinc/21/60/27/1064216027.db2.gz BWJLQZGDKNJYAV-YLJYHZDGSA-N 1 3 377.573 3.725 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC001477673321 1078519904 /nfs/dbraw/zinc/51/99/04/1078519904.db2.gz DKAUJESZSGKXDZ-GMAHTHKFSA-N 1 3 398.595 3.553 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC001477673321 1078519909 /nfs/dbraw/zinc/51/99/09/1078519909.db2.gz DKAUJESZSGKXDZ-GMAHTHKFSA-N 1 3 398.595 3.553 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC001477674690 1078521053 /nfs/dbraw/zinc/52/10/53/1078521053.db2.gz QQEHIBHAGHQTSM-JOCHJYFZSA-N 1 3 386.584 3.696 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC001477674690 1078521059 /nfs/dbraw/zinc/52/10/59/1078521059.db2.gz QQEHIBHAGHQTSM-JOCHJYFZSA-N 1 3 386.584 3.696 20 0 GHADHO CCC[NH+](CCC)CCCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001467956901 1067544509 /nfs/dbraw/zinc/54/45/09/1067544509.db2.gz PUTMLAWZWQBHSA-UHFFFAOYSA-N 1 3 382.552 3.786 20 0 GHADHO CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001468021846 1067569279 /nfs/dbraw/zinc/56/92/79/1067569279.db2.gz YTGDJPHGJYSYFG-QFIPXVFZSA-N 1 3 388.600 3.759 20 0 GHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001468351929 1067699008 /nfs/dbraw/zinc/69/90/08/1067699008.db2.gz SHXYHAZXKYPHKX-TZIWHRDSSA-N 1 3 388.600 3.798 20 0 GHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001468351929 1067699009 /nfs/dbraw/zinc/69/90/09/1067699009.db2.gz SHXYHAZXKYPHKX-TZIWHRDSSA-N 1 3 388.600 3.798 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)N(C)C)cc1 ZINC001477786861 1078566589 /nfs/dbraw/zinc/56/65/89/1078566589.db2.gz GTCQVRJAJNVVCI-FSSWDIPSSA-N 1 3 388.600 3.660 20 0 GHADHO CC[N@H+](CCNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1CC1 ZINC001468464328 1067741525 /nfs/dbraw/zinc/74/15/25/1067741525.db2.gz FIHQYRJSUJKFRL-UHFFFAOYSA-N 1 3 398.595 3.701 20 0 GHADHO CC[N@@H+](CCNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1CC1 ZINC001468464328 1067741527 /nfs/dbraw/zinc/74/15/27/1067741527.db2.gz FIHQYRJSUJKFRL-UHFFFAOYSA-N 1 3 398.595 3.701 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000849275876 1067784257 /nfs/dbraw/zinc/78/42/57/1067784257.db2.gz YHHQRTHGUPNFLW-LBPRGKRZSA-N 1 3 377.385 3.552 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000849275876 1067784260 /nfs/dbraw/zinc/78/42/60/1067784260.db2.gz YHHQRTHGUPNFLW-LBPRGKRZSA-N 1 3 377.385 3.552 20 0 GHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001468630776 1067798411 /nfs/dbraw/zinc/79/84/11/1067798411.db2.gz NQIHORSLPPXHNQ-QFIPXVFZSA-N 1 3 386.584 3.559 20 0 GHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001468630776 1067798419 /nfs/dbraw/zinc/79/84/19/1067798419.db2.gz NQIHORSLPPXHNQ-QFIPXVFZSA-N 1 3 386.584 3.559 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC001469136241 1067991094 /nfs/dbraw/zinc/99/10/94/1067991094.db2.gz PKVSRYDSEHJKNI-JOCHJYFZSA-N 1 3 398.595 3.666 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001469757369 1068364353 /nfs/dbraw/zinc/36/43/53/1068364353.db2.gz BTBMOAFGAKETTO-FXAWDEMLSA-N 1 3 392.613 3.575 20 0 GHADHO CC(C)CN(CC(=O)N(C)c1nc2ccccc2s1)CC1CC[NH+](C)CC1 ZINC001460669573 1069074239 /nfs/dbraw/zinc/07/42/39/1069074239.db2.gz BPVWGIHCCDFTTF-UHFFFAOYSA-N 1 3 388.581 3.559 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CCCC3)C2)CC1 ZINC001460954613 1069295352 /nfs/dbraw/zinc/29/53/52/1069295352.db2.gz ZXUKSHLWWNRPQH-QHCPKHFHSA-N 1 3 397.607 3.978 20 0 GHADHO CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](CC)CC)[C@@H]1CCN(C)C1 ZINC001478734333 1078970072 /nfs/dbraw/zinc/97/00/72/1078970072.db2.gz AWJDZKGNAAGZDD-FGZHOGPDSA-N 1 3 388.600 3.758 20 0 GHADHO CC(C)C[NH+]1CCC(C(=O)N[C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC001470923245 1072819154 /nfs/dbraw/zinc/81/91/54/1072819154.db2.gz DOAONYVFJSGLGC-IBGZPJMESA-N 1 3 399.501 3.792 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](CN1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145179 1073807458 /nfs/dbraw/zinc/80/74/58/1073807458.db2.gz DWIZLLRBRZDAFR-ISKFKSNPSA-N 1 3 393.575 3.880 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](CN1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145179 1073807469 /nfs/dbraw/zinc/80/74/69/1073807469.db2.gz DWIZLLRBRZDAFR-ISKFKSNPSA-N 1 3 393.575 3.880 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CCC[C@H](n2ccnn2)C1)c1ccccc1 ZINC001473569398 1074022048 /nfs/dbraw/zinc/02/20/48/1074022048.db2.gz LRDPKPSMULVUBC-ZEQRLZLVSA-N 1 3 389.547 3.831 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](CN1CCC[C@H](n2ccnn2)C1)c1ccccc1 ZINC001473569398 1074022056 /nfs/dbraw/zinc/02/20/56/1074022056.db2.gz LRDPKPSMULVUBC-ZEQRLZLVSA-N 1 3 389.547 3.831 20 0 GHADHO Cc1ccc(C[C@@]2(C)CCC[N@H+]2CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC001473686806 1074086917 /nfs/dbraw/zinc/08/69/17/1074086917.db2.gz KXWNGFVGSMHQPB-UKILVPOCSA-N 1 3 393.575 3.811 20 0 GHADHO Cc1ccc(C[C@@]2(C)CCC[N@@H+]2CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC001473686806 1074086920 /nfs/dbraw/zinc/08/69/20/1074086920.db2.gz KXWNGFVGSMHQPB-UKILVPOCSA-N 1 3 393.575 3.811 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@H](C3CCCC3)C2)CC1 ZINC001473886709 1074191322 /nfs/dbraw/zinc/19/13/22/1074191322.db2.gz HMTSUVIDKYCIQY-DEOSSOPVSA-N 1 3 397.607 3.932 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@H](C3CCCC3)C2)CC1 ZINC001473886709 1074191325 /nfs/dbraw/zinc/19/13/25/1074191325.db2.gz HMTSUVIDKYCIQY-DEOSSOPVSA-N 1 3 397.607 3.932 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccc(Br)s3)c2)CC1 ZINC001473977175 1074224407 /nfs/dbraw/zinc/22/44/07/1074224407.db2.gz VKQPAWHZUGKDHA-UHFFFAOYSA-N 1 3 394.382 3.548 20 0 GHADHO COc1cccc(-c2csc(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)n2)c1 ZINC001474015826 1074235973 /nfs/dbraw/zinc/23/59/73/1074235973.db2.gz GNFGUQSUQAGKJF-IRXDYDNUSA-N 1 3 389.565 3.798 20 0 GHADHO CC1(C)[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C[C@@H]1OCc1ccccc1 ZINC001474465232 1074418045 /nfs/dbraw/zinc/41/80/45/1074418045.db2.gz LSVADHYSINQLEO-BPBCLYCFSA-N 1 3 386.580 3.993 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1Oc1ccccc1 ZINC001475921011 1075050018 /nfs/dbraw/zinc/05/00/18/1075050018.db2.gz JJUXIEABUKLMFO-SFHVURJKSA-N 1 3 384.524 3.872 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1Oc1ccccc1 ZINC001475921011 1075050022 /nfs/dbraw/zinc/05/00/22/1075050022.db2.gz JJUXIEABUKLMFO-SFHVURJKSA-N 1 3 384.524 3.872 20 0 GHADHO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)[NH+](C)C ZINC001496633599 1079476608 /nfs/dbraw/zinc/47/66/08/1079476608.db2.gz YLNSKIBRZSPUFP-BJLQDIEVSA-N 1 3 392.636 3.687 20 0 GHADHO COc1cccc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cc(F)ccc2OC)c1 ZINC000647549612 837511537 /nfs/dbraw/zinc/51/15/37/837511537.db2.gz JYFWTDXZVIUXDA-QQSSDERHSA-N 1 3 384.495 3.910 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000176917490 837610998 /nfs/dbraw/zinc/61/09/98/837610998.db2.gz BEPYVWMZJCGQIG-GIVPXCGWSA-N 1 3 388.577 3.611 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000176917490 837611001 /nfs/dbraw/zinc/61/10/01/837611001.db2.gz BEPYVWMZJCGQIG-GIVPXCGWSA-N 1 3 388.577 3.611 20 0 GHADHO C[C@@H]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CCN1Cc1ccccc1 ZINC000275592555 837680352 /nfs/dbraw/zinc/68/03/52/837680352.db2.gz FUNHSGICDKNPIP-HXUWFJFHSA-N 1 3 394.563 3.919 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC000654774750 834543039 /nfs/dbraw/zinc/54/30/39/834543039.db2.gz HJCXJAZANPQABR-UHFFFAOYSA-N 1 3 389.971 3.642 20 0 GHADHO c1ncn(-c2ccccc2CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000657772964 834724736 /nfs/dbraw/zinc/72/47/36/834724736.db2.gz OZQNXFYYHJWXML-QFIPXVFZSA-N 1 3 387.531 3.659 20 0 GHADHO c1ncn(-c2ccccc2CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000657772964 834724739 /nfs/dbraw/zinc/72/47/39/834724739.db2.gz OZQNXFYYHJWXML-QFIPXVFZSA-N 1 3 387.531 3.659 20 0 GHADHO c1ncn(-c2ccccc2C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)n1 ZINC000657772964 834724744 /nfs/dbraw/zinc/72/47/44/834724744.db2.gz OZQNXFYYHJWXML-QFIPXVFZSA-N 1 3 387.531 3.659 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)N(C)C)cc1 ZINC000500816072 844031138 /nfs/dbraw/zinc/03/11/38/844031138.db2.gz WFNYCRQNNYBJSB-QFIPXVFZSA-N 1 3 388.600 3.615 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cc2ccncc2s1 ZINC000658035124 835387761 /nfs/dbraw/zinc/38/77/61/835387761.db2.gz MXLDTIPJPBOTMI-QGZVFWFLSA-N 1 3 381.545 3.974 20 0 GHADHO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163710 835479793 /nfs/dbraw/zinc/47/97/93/835479793.db2.gz ADEZAXNJVRPTMX-KRWDZBQOSA-N 1 3 396.535 3.611 20 0 GHADHO Cc1c([C@@H](C)NCC2CC[NH+](Cc3ccncc3)CC2)nnn1-c1ccccc1 ZINC000658166146 835482382 /nfs/dbraw/zinc/48/23/82/835482382.db2.gz MVFZXBODEUYXEA-GOSISDBHSA-N 1 3 390.535 3.534 20 0 GHADHO CCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1OCC ZINC000133160288 835491128 /nfs/dbraw/zinc/49/11/28/835491128.db2.gz GVBMHSFRGZJRRU-ROUUACIJSA-N 1 3 376.541 3.636 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000154287267 835517782 /nfs/dbraw/zinc/51/77/82/835517782.db2.gz NCUNTVSKJDSRHW-SFHVURJKSA-N 1 3 386.609 3.721 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCC4)[C@H]3c3ccccc3)CC2)CC1 ZINC000584123136 835663050 /nfs/dbraw/zinc/66/30/50/835663050.db2.gz MNOWMYQPMVEMMI-HSZRJFAPSA-N 1 3 395.591 3.937 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000657834426 835748412 /nfs/dbraw/zinc/74/84/12/835748412.db2.gz OXBUNSLGBLBFAK-HNNXBMFYSA-N 1 3 391.909 3.907 20 0 GHADHO Cn1c(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)nc2cc(F)ccc21 ZINC000180175983 836094924 /nfs/dbraw/zinc/09/49/24/836094924.db2.gz CNSXMHAZDJDBFW-HLAWJBBLSA-N 1 3 392.522 3.755 20 0 GHADHO C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)N1CCN(C)CC1 ZINC000180463634 836175561 /nfs/dbraw/zinc/17/55/61/836175561.db2.gz LTUHVWZKFPGHNP-IERDGZPVSA-N 1 3 375.919 3.794 20 0 GHADHO OC1(CN[C@H](c2ncc[nH]2)C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414307926 837021539 /nfs/dbraw/zinc/02/15/39/837021539.db2.gz PPZYMAPDSIWYOO-NRFANRHFSA-N 1 3 382.552 3.648 20 0 GHADHO CCC[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000186055788 837031753 /nfs/dbraw/zinc/03/17/53/837031753.db2.gz LOJBDDDIDULRFW-QFIPXVFZSA-N 1 3 380.536 3.538 20 0 GHADHO O=C(Cc1ccccc1)N1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000510958185 844250316 /nfs/dbraw/zinc/25/03/16/844250316.db2.gz LBXYMQQDZGVCPR-QFIPXVFZSA-N 1 3 383.580 3.607 20 0 GHADHO CC1CC[NH+](C[C@H]2CCCN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000659863075 837878545 /nfs/dbraw/zinc/87/85/45/837878545.db2.gz GDZSOFYNOPOVRM-NHCUHLMSSA-N 1 3 377.617 3.715 20 0 GHADHO CC1(C)CC(NCCC(=O)Nc2cccc(Br)c2)CC(C)(C)[NH2+]1 ZINC000605592843 837957764 /nfs/dbraw/zinc/95/77/64/837957764.db2.gz AGJXQHMCRSFLFF-UHFFFAOYSA-N 1 3 382.346 3.677 20 0 GHADHO CC[NH+](CC)CCOc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1 ZINC000053233083 838543651 /nfs/dbraw/zinc/54/36/51/838543651.db2.gz NFEFAXQPAQJEFT-UHFFFAOYSA-N 1 3 389.584 3.600 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000458163081 844380135 /nfs/dbraw/zinc/38/01/35/844380135.db2.gz NJVDXHDIGROGIG-HXUWFJFHSA-N 1 3 392.613 3.575 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000377132578 839027856 /nfs/dbraw/zinc/02/78/56/839027856.db2.gz XUPWNNMCZQRVRF-JTKSJCOOSA-N 1 3 384.564 3.605 20 0 GHADHO [NH3+]C1(CNCc2c(F)cccc2N2CCCC2)CCN(Cc2ccccc2)CC1 ZINC000415133606 839260644 /nfs/dbraw/zinc/26/06/44/839260644.db2.gz NHZZCLPOYVRUFY-UHFFFAOYSA-N 1 3 396.554 3.509 20 0 GHADHO [NH3+]C1(CNCc2cc(C(F)(F)F)ccc2F)CCN(Cc2ccccc2)CC1 ZINC000415136859 839262765 /nfs/dbraw/zinc/26/27/65/839262765.db2.gz SNVLNHPCVBTCQU-UHFFFAOYSA-N 1 3 395.444 3.928 20 0 GHADHO [NH3+]CC1(O)CCN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000415141654 839270055 /nfs/dbraw/zinc/27/00/55/839270055.db2.gz NSPRWZMOFGLMQH-UHFFFAOYSA-N 1 3 395.330 3.858 20 0 GHADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000312929677 839905348 /nfs/dbraw/zinc/90/53/48/839905348.db2.gz DUVWKIKXSUTHTQ-YSIASYRMSA-N 1 3 381.486 3.513 20 0 GHADHO CCc1cccc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000580641262 839947172 /nfs/dbraw/zinc/94/71/72/839947172.db2.gz MQGDIKDSZDUUDU-KNKQGSTJSA-N 1 3 388.577 3.723 20 0 GHADHO CCc1cccc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000580641262 839947181 /nfs/dbraw/zinc/94/71/81/839947181.db2.gz MQGDIKDSZDUUDU-KNKQGSTJSA-N 1 3 388.577 3.723 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC000418462589 840264872 /nfs/dbraw/zinc/26/48/72/840264872.db2.gz NHCQATGMSZAQKK-INIZCTEOSA-N 1 3 388.943 3.633 20 0 GHADHO [NH3+]CCC[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000417046974 840406370 /nfs/dbraw/zinc/40/63/70/840406370.db2.gz ZYHPZSFDEXCLSM-FGZHOGPDSA-N 1 3 380.536 3.603 20 0 GHADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799138 844552317 /nfs/dbraw/zinc/55/23/17/844552317.db2.gz UATMBIMWUDSWRS-SUMWQHHRSA-N 1 3 384.305 3.816 20 0 GHADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799138 844552322 /nfs/dbraw/zinc/55/23/22/844552322.db2.gz UATMBIMWUDSWRS-SUMWQHHRSA-N 1 3 384.305 3.816 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@@H](C)C3)CC2)CC1 ZINC000581141515 840778257 /nfs/dbraw/zinc/77/82/57/840778257.db2.gz YHUMCYVPHKPOAR-GBXCKJPGSA-N 1 3 397.607 3.835 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000510414529 841273714 /nfs/dbraw/zinc/27/37/14/841273714.db2.gz KOIXERGYJYEJQG-IAGOWNOFSA-N 1 3 385.552 3.981 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000047883503 842055649 /nfs/dbraw/zinc/05/56/49/842055649.db2.gz FOYPIXJRRMTMBN-IBGZPJMESA-N 1 3 392.613 3.693 20 0 GHADHO CN1CCCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000623654948 861298371 /nfs/dbraw/zinc/29/83/71/861298371.db2.gz KSHMAJTYEPILMF-OAQYLSRUSA-N 1 3 389.547 3.815 20 0 GHADHO CN1CCCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000623655286 861299057 /nfs/dbraw/zinc/29/90/57/861299057.db2.gz UFJVDGAVTGQJKU-IBGZPJMESA-N 1 3 375.520 3.756 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNCc2cc(C(=O)OC)c3n2CCCC3)cc1 ZINC000598629806 842515275 /nfs/dbraw/zinc/51/52/75/842515275.db2.gz QQFJBRMEHUZRKO-UHFFFAOYSA-N 1 3 383.536 3.743 20 0 GHADHO Cc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)ccc1OCC[NH+](C)C ZINC000652434044 842527102 /nfs/dbraw/zinc/52/71/02/842527102.db2.gz OOBXFIUOGKBNIU-JKSUJKDBSA-N 1 3 388.430 3.622 20 0 GHADHO COc1ccc([C@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)cc1NC(C)=O ZINC000165192670 843070698 /nfs/dbraw/zinc/07/06/98/843070698.db2.gz RUHHAMUURSIKEU-KRWDZBQOSA-N 1 3 399.535 3.835 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cccc4c3CNC4)cc2)C1 ZINC000662386441 843183185 /nfs/dbraw/zinc/18/31/85/843183185.db2.gz IQXFSKSBSODJGV-QZTJIDSGSA-N 1 3 377.532 3.698 20 0 GHADHO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cccc2c1C[NH2+]C2 ZINC000662449033 843262249 /nfs/dbraw/zinc/26/22/49/843262249.db2.gz IEPQNUHKIBWXHE-UHFFFAOYSA-N 1 3 383.923 3.585 20 0 GHADHO C[C@H]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCN1Cc1ccccc1 ZINC000662482233 843312447 /nfs/dbraw/zinc/31/24/47/843312447.db2.gz JTYLWWQJRJQIBG-WMZHIEFXSA-N 1 3 391.559 3.802 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000500719480 843881529 /nfs/dbraw/zinc/88/15/29/843881529.db2.gz ZYZTYQKEWIZYED-SIKLNZKXSA-N 1 3 386.584 3.585 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)C1 ZINC000510991873 844757407 /nfs/dbraw/zinc/75/74/07/844757407.db2.gz BESUDPZMTFYOTO-FGCOXFRFSA-N 1 3 397.607 3.853 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179265849 861514327 /nfs/dbraw/zinc/51/43/27/861514327.db2.gz HTRUJHFRBRRSMA-DHIUTWEWSA-N 1 3 394.563 3.725 20 0 GHADHO CN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179269830 861515445 /nfs/dbraw/zinc/51/54/45/861515445.db2.gz WFGDOACGQMATGL-YADHBBJMSA-N 1 3 384.568 3.528 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)Cc1ccccc1 ZINC000513360444 845281614 /nfs/dbraw/zinc/28/16/14/845281614.db2.gz ASVUPRDGQDISPA-XMMPIXPASA-N 1 3 393.575 3.965 20 0 GHADHO COc1ccc(NC(=O)[C@@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179391995 861561585 /nfs/dbraw/zinc/56/15/85/861561585.db2.gz DGKYERZVVRCLNJ-GOSISDBHSA-N 1 3 396.535 3.656 20 0 GHADHO C[C@H](NCCC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519403 845543236 /nfs/dbraw/zinc/54/32/36/845543236.db2.gz SCWMHMHOTJSXQZ-GREBRCKQSA-N 1 3 383.580 3.813 20 0 GHADHO C[C@H](NCCC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519403 845543248 /nfs/dbraw/zinc/54/32/48/845543248.db2.gz SCWMHMHOTJSXQZ-GREBRCKQSA-N 1 3 383.580 3.813 20 0 GHADHO COc1cccc(C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C2CC2)c1 ZINC000513533424 845629163 /nfs/dbraw/zinc/62/91/63/845629163.db2.gz RIRFJWSHUBJTSK-RUZDIDTESA-N 1 3 393.575 3.554 20 0 GHADHO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001167529342 846076628 /nfs/dbraw/zinc/07/66/28/846076628.db2.gz JEXMWKCQDQWAKY-NZQKXSOJSA-N 1 3 385.596 3.773 20 0 GHADHO C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000513666647 846233438 /nfs/dbraw/zinc/23/34/38/846233438.db2.gz MWGVYOHEFRIYAZ-KURKYZTESA-N 1 3 393.531 3.825 20 0 GHADHO CSc1ccccc1NC(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066451 846597651 /nfs/dbraw/zinc/59/76/51/846597651.db2.gz COGQOIGYLVTNNX-QGZVFWFLSA-N 1 3 398.576 3.979 20 0 GHADHO O[C@@H](CCc1ccccc1)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554581 846608262 /nfs/dbraw/zinc/60/82/62/846608262.db2.gz RIUBBPAFWWLDNH-DQEYMECFSA-N 1 3 378.560 3.968 20 0 GHADHO O[C@@H](CCc1ccccc1)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554581 846608267 /nfs/dbraw/zinc/60/82/67/846608267.db2.gz RIUBBPAFWWLDNH-DQEYMECFSA-N 1 3 378.560 3.968 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(C(=O)c3cc4cc(Cl)sc4[nH]3)CC2)CC1 ZINC000422011929 846752464 /nfs/dbraw/zinc/75/24/64/846752464.db2.gz DAVSENKOEWUMED-UHFFFAOYSA-N 1 3 394.972 3.515 20 0 GHADHO CCN1CCC([N@H+]2CCCN(C(=O)c3cc4cc(Cl)sc4[nH]3)CC2)CC1 ZINC000422011929 846752474 /nfs/dbraw/zinc/75/24/74/846752474.db2.gz DAVSENKOEWUMED-UHFFFAOYSA-N 1 3 394.972 3.515 20 0 GHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000503118318 846813912 /nfs/dbraw/zinc/81/39/12/846813912.db2.gz PATNQGORXRSRGQ-RXVVDRJESA-N 1 3 382.552 3.718 20 0 GHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000503112636 846823152 /nfs/dbraw/zinc/82/31/52/846823152.db2.gz RSDYZJOYYGLJCJ-UGKGYDQZSA-N 1 3 394.563 3.690 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC(C)C)cc3F)CC2)CC1 ZINC000582309358 846832443 /nfs/dbraw/zinc/83/24/43/846832443.db2.gz BKYTVGZXRWXVGY-UHFFFAOYSA-N 1 3 391.531 3.748 20 0 GHADHO Cc1ncsc1-c1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000657400801 846953459 /nfs/dbraw/zinc/95/34/59/846953459.db2.gz OGELLUHXJNJIPF-NHCUHLMSSA-N 1 3 385.577 3.976 20 0 GHADHO CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000272416667 847073252 /nfs/dbraw/zinc/07/32/52/847073252.db2.gz MQDBEYWBEQVYIZ-NUNAXRQHSA-N 1 3 398.572 3.516 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccc2ccccc21 ZINC000420336495 847116689 /nfs/dbraw/zinc/11/66/89/847116689.db2.gz ISFOQHLADLKTQV-BSRJHKFKSA-N 1 3 379.548 3.870 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(N3CCOC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272811260 847179471 /nfs/dbraw/zinc/17/94/71/847179471.db2.gz ARCVBAYXDROITF-RXVVDRJESA-N 1 3 379.504 3.786 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(N3CCOC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272811260 847179483 /nfs/dbraw/zinc/17/94/83/847179483.db2.gz ARCVBAYXDROITF-RXVVDRJESA-N 1 3 379.504 3.786 20 0 GHADHO CC(C)n1ccnc1CNCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000657427209 847215353 /nfs/dbraw/zinc/21/53/53/847215353.db2.gz QYFWCUCXTVYYJV-BGYRXZFFSA-N 1 3 384.568 3.763 20 0 GHADHO CC(C)n1ccnc1CNCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000657427209 847215359 /nfs/dbraw/zinc/21/53/59/847215359.db2.gz QYFWCUCXTVYYJV-BGYRXZFFSA-N 1 3 384.568 3.763 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccco1 ZINC000501840628 847272773 /nfs/dbraw/zinc/27/27/73/847272773.db2.gz LIOQGCXWMRWQHU-CGBFIWBNSA-N 1 3 390.572 3.661 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000501840628 847272783 /nfs/dbraw/zinc/27/27/83/847272783.db2.gz LIOQGCXWMRWQHU-CGBFIWBNSA-N 1 3 390.572 3.661 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501857143 847282611 /nfs/dbraw/zinc/28/26/11/847282611.db2.gz UHPPLEOLJRFRRP-WOJBJXKFSA-N 1 3 378.605 3.547 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857143 847282622 /nfs/dbraw/zinc/28/26/22/847282622.db2.gz UHPPLEOLJRFRRP-WOJBJXKFSA-N 1 3 378.605 3.547 20 0 GHADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503474352 847726845 /nfs/dbraw/zinc/72/68/45/847726845.db2.gz PSLJGSSUOUPAAB-GOTSBHOMSA-N 1 3 398.595 3.559 20 0 GHADHO CN(C)[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000503495951 847749452 /nfs/dbraw/zinc/74/94/52/847749452.db2.gz IBNWBFDPKDMIMT-IFMALSPDSA-N 1 3 386.584 3.587 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422703964 847775654 /nfs/dbraw/zinc/77/56/54/847775654.db2.gz JMKNNJSEGVDNLQ-ZBFHGGJFSA-N 1 3 389.341 3.541 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)N1CCCCC1 ZINC000422712491 847781096 /nfs/dbraw/zinc/78/10/96/847781096.db2.gz OIHJDIVYLSBLEB-JTSKRJEESA-N 1 3 382.552 3.735 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422733140 847787456 /nfs/dbraw/zinc/78/74/56/847787456.db2.gz QPYZKGCUKCBSRU-KNBMTAEXSA-N 1 3 393.453 3.712 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719322 847795101 /nfs/dbraw/zinc/79/51/01/847795101.db2.gz YMHMZNPNHCWEFO-WMLDXEAASA-N 1 3 389.341 3.541 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422728198 847801018 /nfs/dbraw/zinc/80/10/18/847801018.db2.gz IVSJJAGMUCEEDY-GDBMZVCRSA-N 1 3 394.441 3.677 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000422738852 847804555 /nfs/dbraw/zinc/80/45/55/847804555.db2.gz ZOAVWZRUEPAWFC-WZONZLPQSA-N 1 3 380.580 3.972 20 0 GHADHO c1ccc([C@H](CN2CCCC2)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800263 847828622 /nfs/dbraw/zinc/82/86/22/847828622.db2.gz AZXXTNTYQZCFQE-FIXSFTCYSA-N 1 3 377.532 3.669 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC(C[NH+](C)C)CC2)c2cccs2)CC1 ZINC000611663420 847835484 /nfs/dbraw/zinc/83/54/84/847835484.db2.gz SIXGLRXROHNXQJ-LJQANCHMSA-N 1 3 392.613 3.504 20 0 GHADHO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)cc1 ZINC000422881479 847867451 /nfs/dbraw/zinc/86/74/51/847867451.db2.gz NVEAKWZCEUXNIZ-FCHUYYIVSA-N 1 3 381.520 3.762 20 0 GHADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422876273 847876956 /nfs/dbraw/zinc/87/69/56/847876956.db2.gz FKPZTFCHNJEIEM-CRAIPNDOSA-N 1 3 381.358 3.604 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422927002 847892691 /nfs/dbraw/zinc/89/26/91/847892691.db2.gz XWGLDKGWSHVCNS-SNVBAGLBSA-N 1 3 388.821 3.646 20 0 GHADHO C[C@H]1CCCCN1Cc1ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)nc1 ZINC001167945155 847903823 /nfs/dbraw/zinc/90/38/23/847903823.db2.gz UUPXLOJDDWPFLN-HKUYNNGSSA-N 1 3 390.572 3.707 20 0 GHADHO Clc1ccc(CSCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423020196 847939354 /nfs/dbraw/zinc/93/93/54/847939354.db2.gz ZFQVYPAQLNFQCS-BPQIPLTHSA-N 1 3 389.392 3.973 20 0 GHADHO CC[C@@H](C)Oc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657593692 848286267 /nfs/dbraw/zinc/28/62/67/848286267.db2.gz BLYYUPSYGGLXDM-GCJKJVERSA-N 1 3 398.547 3.729 20 0 GHADHO CC[C@@H](C)Oc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657593692 848286270 /nfs/dbraw/zinc/28/62/70/848286270.db2.gz BLYYUPSYGGLXDM-GCJKJVERSA-N 1 3 398.547 3.729 20 0 GHADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000604173437 861928789 /nfs/dbraw/zinc/92/87/89/861928789.db2.gz NWVHFXJMWJPFEX-HSZRJFAPSA-N 1 3 394.563 3.775 20 0 GHADHO Cc1cc(C)n(-c2ccc(CN[C@H](C)c3cccc(OCC[NH+](C)C)c3)cn2)n1 ZINC000162784870 849458219 /nfs/dbraw/zinc/45/82/19/849458219.db2.gz XCJNYWYQCWGYNQ-LJQANCHMSA-N 1 3 393.535 3.675 20 0 GHADHO CCN1CCO[C@@H](CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000423100786 849743794 /nfs/dbraw/zinc/74/37/94/849743794.db2.gz HMTGSTUIGCIHIM-KIHHCIJBSA-N 1 3 379.548 3.531 20 0 GHADHO c1ccc2c(c1)CC1(CCOCC1)[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423131363 849753059 /nfs/dbraw/zinc/75/30/59/849753059.db2.gz ZUHABVWAJZODOH-GZGNHOFSSA-N 1 3 390.527 3.926 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000513807327 849885760 /nfs/dbraw/zinc/88/57/60/849885760.db2.gz ZGRIAUMQNQCOGQ-QHCPKHFHSA-N 1 3 379.548 3.875 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCCC[NH2+]C1CC1 ZINC000423557692 849969872 /nfs/dbraw/zinc/96/98/72/849969872.db2.gz NNOTZYBDDKLCJZ-NSHDSACASA-N 1 3 377.838 3.808 20 0 GHADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749975 849972502 /nfs/dbraw/zinc/97/25/02/849972502.db2.gz QHJBIQYIOURINU-LSDHHAIUSA-N 1 3 386.367 3.964 20 0 GHADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749975 849972509 /nfs/dbraw/zinc/97/25/09/849972509.db2.gz QHJBIQYIOURINU-LSDHHAIUSA-N 1 3 386.367 3.964 20 0 GHADHO C[C@H]1CC2(CN1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)CC[NH2+]CC2 ZINC000424301626 850341881 /nfs/dbraw/zinc/34/18/81/850341881.db2.gz XWNGRXAEIWKGRY-HTAPYJJXSA-N 1 3 387.543 3.637 20 0 GHADHO COc1ccc([C@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)c(Cl)c1 ZINC000424317937 850359358 /nfs/dbraw/zinc/35/93/58/850359358.db2.gz RIPRYYOTSFZLCI-KRWDZBQOSA-N 1 3 379.976 3.950 20 0 GHADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000426486281 850365109 /nfs/dbraw/zinc/36/51/09/850365109.db2.gz PAURRHFQDGHYLR-WDSOQIARSA-N 1 3 399.501 3.791 20 0 GHADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000426486281 850365117 /nfs/dbraw/zinc/36/51/17/850365117.db2.gz PAURRHFQDGHYLR-WDSOQIARSA-N 1 3 399.501 3.791 20 0 GHADHO FC(F)(F)c1ccc(-c2n[nH]cc2CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414868473 850460261 /nfs/dbraw/zinc/46/02/61/850460261.db2.gz APLNZVXFNMNCHJ-UHFFFAOYSA-N 1 3 389.425 3.760 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426440 850508886 /nfs/dbraw/zinc/50/88/86/850508886.db2.gz IBOLAJKOUOIMBB-NRFANRHFSA-N 1 3 393.560 3.782 20 0 GHADHO CC[C@@H](Cc1ccccc1C)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000424682574 850615067 /nfs/dbraw/zinc/61/50/67/850615067.db2.gz DSNAPRHRWOHHGX-NRFANRHFSA-N 1 3 385.596 3.630 20 0 GHADHO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000505116336 850617281 /nfs/dbraw/zinc/61/72/81/850617281.db2.gz ZMPNTIAZXNPHFQ-FQEVSTJZSA-N 1 3 387.474 3.844 20 0 GHADHO C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(F)c2)[C@H]1c1cccs1 ZINC000515054378 850631826 /nfs/dbraw/zinc/63/18/26/850631826.db2.gz FVHYSVCKKRACFG-QRWLVFNGSA-N 1 3 375.513 3.889 20 0 GHADHO C[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(F)c2)[C@H]1c1cccs1 ZINC000515054378 850631837 /nfs/dbraw/zinc/63/18/37/850631837.db2.gz FVHYSVCKKRACFG-QRWLVFNGSA-N 1 3 375.513 3.889 20 0 GHADHO CC(C)(C)OC(=O)NC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCC1 ZINC001167970416 851472324 /nfs/dbraw/zinc/47/23/24/851472324.db2.gz KJSNYFJOKGHKJA-YQQQUEKLSA-N 1 3 377.573 3.819 20 0 GHADHO CC(C)(C)OC(=O)NC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167970416 851472329 /nfs/dbraw/zinc/47/23/29/851472329.db2.gz KJSNYFJOKGHKJA-YQQQUEKLSA-N 1 3 377.573 3.819 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000180633513 862258284 /nfs/dbraw/zinc/25/82/84/862258284.db2.gz XZXDSYRSCXYIJI-BGYRXZFFSA-N 1 3 396.579 3.798 20 0 GHADHO C[C@H](C(=O)NCc1ccccc1C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000303460328 851625905 /nfs/dbraw/zinc/62/59/05/851625905.db2.gz HDGLYZOFIKUOMV-HXUWFJFHSA-N 1 3 393.575 3.708 20 0 GHADHO Cc1nn(C)c2ncc(C[NH2+]CC3CCN(Cc4ccccc4Cl)CC3)cc12 ZINC000106487119 851777458 /nfs/dbraw/zinc/77/74/58/851777458.db2.gz OKHLLXCIGUHRNZ-UHFFFAOYSA-N 1 3 397.954 3.932 20 0 GHADHO COc1cc(-c2ccccc2)ccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000517627242 852170179 /nfs/dbraw/zinc/17/01/79/852170179.db2.gz SVBTWSFVWWMPCY-UHFFFAOYSA-N 1 3 381.564 3.820 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167962566 852198673 /nfs/dbraw/zinc/19/86/73/852198673.db2.gz YQTPPLOANQIDGM-RBDVMBOBSA-N 1 3 389.584 3.627 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCc3ccc(Cl)cc3)CC2)CC1 ZINC000516310813 852410678 /nfs/dbraw/zinc/41/06/78/852410678.db2.gz OALBHWWOTSDWNN-UHFFFAOYSA-N 1 3 391.987 3.585 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000505914481 852569112 /nfs/dbraw/zinc/56/91/12/852569112.db2.gz ZLEGPSAVAQUAOE-AKIFATBCSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000505914481 852569117 /nfs/dbraw/zinc/56/91/17/852569117.db2.gz ZLEGPSAVAQUAOE-AKIFATBCSA-N 1 3 383.580 3.764 20 0 GHADHO CC[C@H](C)Oc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000518394370 853299966 /nfs/dbraw/zinc/29/99/66/853299966.db2.gz RSBGAQYUEPKXJJ-SFHVURJKSA-N 1 3 387.568 3.999 20 0 GHADHO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)C1 ZINC001167987760 853312529 /nfs/dbraw/zinc/31/25/29/853312529.db2.gz MYNGIANONMMQIT-OKCRPCIYSA-N 1 3 389.584 3.581 20 0 GHADHO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)C1 ZINC001167987760 853312537 /nfs/dbraw/zinc/31/25/37/853312537.db2.gz MYNGIANONMMQIT-OKCRPCIYSA-N 1 3 389.584 3.581 20 0 GHADHO CN(Cc1c[nH]nc1-c1ccsc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000437692730 853424830 /nfs/dbraw/zinc/42/48/30/853424830.db2.gz LVTKOYZNGNSDHG-UHFFFAOYSA-N 1 3 381.549 3.672 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000519782492 853488198 /nfs/dbraw/zinc/48/81/98/853488198.db2.gz UOALYGCJJLSINC-MOPGFXCFSA-N 1 3 377.617 3.904 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414998566 853650662 /nfs/dbraw/zinc/65/06/62/853650662.db2.gz IFTKXFIQYSXPNF-HZUJVAHNSA-N 1 3 387.474 3.665 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000520166210 853919459 /nfs/dbraw/zinc/91/94/59/853919459.db2.gz IKOAXTNCALZSSB-HXUWFJFHSA-N 1 3 387.543 3.515 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000588641288 854323659 /nfs/dbraw/zinc/32/36/59/854323659.db2.gz BKXJXXUBUZUEJO-ICSRJNTNSA-N 1 3 377.548 3.664 20 0 GHADHO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000572047556 854343941 /nfs/dbraw/zinc/34/39/41/854343941.db2.gz MOYIHLOULHWWKU-HUVFLSCGSA-N 1 3 391.559 3.596 20 0 GHADHO COC1CCN(C2(C[NH2+][C@H]3CCN(C)[C@H](c4ccccc4)C3)CCCC2)CC1 ZINC000572467966 854537186 /nfs/dbraw/zinc/53/71/86/854537186.db2.gz PZOCXBAHRWBKSH-GMAHTHKFSA-N 1 3 385.596 3.835 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H](C)C1 ZINC000624106779 862658626 /nfs/dbraw/zinc/65/86/26/862658626.db2.gz OHMHODBQSMZSIE-OFAXGOBFSA-N 1 3 377.532 3.704 20 0 GHADHO CN(C)c1ccccc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000590302643 855356501 /nfs/dbraw/zinc/35/65/01/855356501.db2.gz KVWNGAJOSABYGB-UHFFFAOYSA-N 1 3 397.563 3.532 20 0 GHADHO CN(C)c1ccccc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000590302643 855356506 /nfs/dbraw/zinc/35/65/06/855356506.db2.gz KVWNGAJOSABYGB-UHFFFAOYSA-N 1 3 397.563 3.532 20 0 GHADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C(C)C)N2CCCCC2)cc1 ZINC000520512001 855555207 /nfs/dbraw/zinc/55/52/07/855555207.db2.gz LFZNVGOZKSSACZ-NRFANRHFSA-N 1 3 375.557 3.856 20 0 GHADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(I)cc1 ZINC000590779704 855581055 /nfs/dbraw/zinc/58/10/55/855581055.db2.gz LHBICOOYDCQQSJ-NPYXIHBLSA-N 1 3 384.305 3.957 20 0 GHADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(I)cc1 ZINC000590779704 855581061 /nfs/dbraw/zinc/58/10/61/855581061.db2.gz LHBICOOYDCQQSJ-NPYXIHBLSA-N 1 3 384.305 3.957 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000573001649 855683994 /nfs/dbraw/zinc/68/39/94/855683994.db2.gz UPFUHOPJVOQIMD-IUKKYPGJSA-N 1 3 379.548 3.727 20 0 GHADHO C[C@@H]1CC(NCCN(C)C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168007405 856086089 /nfs/dbraw/zinc/08/60/89/856086089.db2.gz RYAMUKBEUVFPDL-QZTJIDSGSA-N 1 3 375.557 3.885 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)CC1 ZINC000573502759 856263132 /nfs/dbraw/zinc/26/31/32/856263132.db2.gz DSDLMLJGPQIGTC-YUXAGFNASA-N 1 3 377.617 3.760 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)CC2)CC1 ZINC000573502757 856263278 /nfs/dbraw/zinc/26/32/78/856263278.db2.gz DSDLMLJGPQIGTC-STZQEDGTSA-N 1 3 377.617 3.760 20 0 GHADHO COc1ccc(-c2ccccc2C)cc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000573723742 856453778 /nfs/dbraw/zinc/45/37/78/856453778.db2.gz YVZJOZYALJUSBK-NRFANRHFSA-N 1 3 380.532 3.858 20 0 GHADHO COC(=O)c1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000592492329 856898504 /nfs/dbraw/zinc/89/85/04/856898504.db2.gz YMTQNGZNWOMJSU-RBUKOAKNSA-N 1 3 399.560 3.808 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000181409314 862866159 /nfs/dbraw/zinc/86/61/59/862866159.db2.gz BLOQOCVBOWANAF-KYNGSXCRSA-N 1 3 381.358 3.868 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181491603 862900620 /nfs/dbraw/zinc/90/06/20/862900620.db2.gz YWGUKNKFNJCBNV-HNNXBMFYSA-N 1 3 394.357 3.874 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)N(C)C)cc1 ZINC000520901826 857389610 /nfs/dbraw/zinc/38/96/10/857389610.db2.gz IMIMDUDOHDALKC-VXKWHMMOSA-N 1 3 382.552 3.508 20 0 GHADHO CN1CC[C@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000574261341 857477455 /nfs/dbraw/zinc/47/74/55/857477455.db2.gz VHUQNSXBFXDLPO-RJGXRXQPSA-N 1 3 388.515 3.584 20 0 GHADHO FC(F)C(F)(F)COCCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000469726800 857590480 /nfs/dbraw/zinc/59/04/80/857590480.db2.gz CDWINXAGEUGBQZ-UHFFFAOYSA-N 1 3 388.449 3.892 20 0 GHADHO FC(F)C(F)(F)COCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000469726800 857590489 /nfs/dbraw/zinc/59/04/89/857590489.db2.gz CDWINXAGEUGBQZ-UHFFFAOYSA-N 1 3 388.449 3.892 20 0 GHADHO C[N@H+](CCOc1cccc(CNc2ccnc3ccccc32)c1)C1CCOCC1 ZINC000521082216 857594102 /nfs/dbraw/zinc/59/41/02/857594102.db2.gz QYSXZQIYNAOFOK-UHFFFAOYSA-N 1 3 391.515 3.758 20 0 GHADHO C[N@@H+](CCOc1cccc(CNc2ccnc3ccccc32)c1)C1CCOCC1 ZINC000521082216 857594114 /nfs/dbraw/zinc/59/41/14/857594114.db2.gz QYSXZQIYNAOFOK-UHFFFAOYSA-N 1 3 391.515 3.758 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccccc2-n2cccn2)CC1 ZINC000120175832 881345592 /nfs/dbraw/zinc/34/55/92/881345592.db2.gz FHSSNZUSTSEPOO-UHFFFAOYSA-N 1 3 389.547 3.694 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000486581254 857894370 /nfs/dbraw/zinc/89/43/70/857894370.db2.gz MECUITYREWSEQX-VWLOTQADSA-N 1 3 391.559 3.877 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000486581254 857894377 /nfs/dbraw/zinc/89/43/77/857894377.db2.gz MECUITYREWSEQX-VWLOTQADSA-N 1 3 391.559 3.877 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000594276201 858022473 /nfs/dbraw/zinc/02/24/73/858022473.db2.gz SDLDRMHJQRIZFJ-FCHUYYIVSA-N 1 3 386.584 3.512 20 0 GHADHO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000521531279 858077928 /nfs/dbraw/zinc/07/79/28/858077928.db2.gz WEPGLKRVPKVTMF-LJQANCHMSA-N 1 3 399.510 3.747 20 0 GHADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000443061352 858330225 /nfs/dbraw/zinc/33/02/25/858330225.db2.gz RHMSPNIOGIHLII-KDOFPFPSSA-N 1 3 384.351 3.718 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443065059 858333268 /nfs/dbraw/zinc/33/32/68/858333268.db2.gz ZIJYHYJQNDGDTQ-RBUKOAKNSA-N 1 3 381.520 3.653 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000522078148 858588788 /nfs/dbraw/zinc/58/87/88/858588788.db2.gz NNHNAFOWBBCCHD-DNVFCKCGSA-N 1 3 398.595 3.543 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181967637 863065981 /nfs/dbraw/zinc/06/59/81/863065981.db2.gz YCGHEQPYLUCSDW-KDURUIRLSA-N 1 3 382.589 3.710 20 0 GHADHO CCc1cccc2cc(CN3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)oc21 ZINC000668156341 858972258 /nfs/dbraw/zinc/97/22/58/858972258.db2.gz MYKHOPAFMULZMW-UHFFFAOYSA-N 1 3 397.563 3.809 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000185500236 859090281 /nfs/dbraw/zinc/09/02/81/859090281.db2.gz LGMCDXQXQMQCCF-UHFFFAOYSA-N 1 3 382.552 3.608 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@]2(O)CCOc3ccccc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023359 859101253 /nfs/dbraw/zinc/10/12/53/859101253.db2.gz VTBDNWQSYGQMPW-ORVPSHMPSA-N 1 3 380.532 3.688 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@]2(O)CCOc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023359 859101259 /nfs/dbraw/zinc/10/12/59/859101259.db2.gz VTBDNWQSYGQMPW-ORVPSHMPSA-N 1 3 380.532 3.688 20 0 GHADHO C[C@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185738129 859124064 /nfs/dbraw/zinc/12/40/64/859124064.db2.gz WGXDEZLZLDBSLE-PZJWPPBQSA-N 1 3 396.583 3.753 20 0 GHADHO C[C@H](NC[C@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768382 859127162 /nfs/dbraw/zinc/12/71/62/859127162.db2.gz ZZAGMIKGRYBFEF-VDZJLULYSA-N 1 3 384.486 3.851 20 0 GHADHO C[C@H](NC[C@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185768382 859127168 /nfs/dbraw/zinc/12/71/68/859127168.db2.gz ZZAGMIKGRYBFEF-VDZJLULYSA-N 1 3 384.486 3.851 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1N1CCN(C)CC1 ZINC000483298777 859278894 /nfs/dbraw/zinc/27/88/94/859278894.db2.gz WDHXEIMZVMLSTK-OXJNMPFZSA-N 1 3 389.490 3.683 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1N1CCN(C)CC1 ZINC000483298777 859278904 /nfs/dbraw/zinc/27/89/04/859278904.db2.gz WDHXEIMZVMLSTK-OXJNMPFZSA-N 1 3 389.490 3.683 20 0 GHADHO COC1(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCCCC1 ZINC000856558408 881424739 /nfs/dbraw/zinc/42/47/39/881424739.db2.gz HFIYTTBWGSVMMR-OAQYLSRUSA-N 1 3 375.557 3.724 20 0 GHADHO COC1(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCCCC1 ZINC000856558408 881424742 /nfs/dbraw/zinc/42/47/42/881424742.db2.gz HFIYTTBWGSVMMR-OAQYLSRUSA-N 1 3 375.557 3.724 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746977 859467212 /nfs/dbraw/zinc/46/72/12/859467212.db2.gz BNPHCNMKHZCNQZ-INIZCTEOSA-N 1 3 381.476 3.859 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[C@H](C)[NH+]1CCCCC1 ZINC000543393037 859538703 /nfs/dbraw/zinc/53/87/03/859538703.db2.gz PLPWIDXZZBPEBO-ROUUACIJSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000543393037 859538710 /nfs/dbraw/zinc/53/87/10/859538710.db2.gz PLPWIDXZZBPEBO-ROUUACIJSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000764714300 859578748 /nfs/dbraw/zinc/57/87/48/859578748.db2.gz DUCUJEDUWKYORM-UGKGYDQZSA-N 1 3 377.532 3.956 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000764714300 859578755 /nfs/dbraw/zinc/57/87/55/859578755.db2.gz DUCUJEDUWKYORM-UGKGYDQZSA-N 1 3 377.532 3.956 20 0 GHADHO C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000466501843 859759517 /nfs/dbraw/zinc/75/95/17/859759517.db2.gz GIAWLRSNKRONHR-UNMCSNQZSA-N 1 3 386.584 3.605 20 0 GHADHO CCCn1nc(C)c(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1C ZINC000856562162 881471836 /nfs/dbraw/zinc/47/18/36/881471836.db2.gz ZFGCKJKOUNQMRG-JOCHJYFZSA-N 1 3 399.583 3.798 20 0 GHADHO CCCn1nc(C)c(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C ZINC000856562162 881471842 /nfs/dbraw/zinc/47/18/42/881471842.db2.gz ZFGCKJKOUNQMRG-JOCHJYFZSA-N 1 3 399.583 3.798 20 0 GHADHO Cc1nc2sc3c(c2c(N[C@H]2CCN(C4CC[NH+](C)CC4)C2)n1)CC[C@H](C)C3 ZINC000602233318 859882264 /nfs/dbraw/zinc/88/22/64/859882264.db2.gz RRXREJKIXPWRSF-HOCLYGCPSA-N 1 3 399.608 3.705 20 0 GHADHO Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)o1 ZINC000115612337 860058938 /nfs/dbraw/zinc/05/89/38/860058938.db2.gz ZEDPXEFGSHAWRS-UHFFFAOYSA-N 1 3 394.494 3.831 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508927114 860061602 /nfs/dbraw/zinc/06/16/02/860061602.db2.gz XEVHADHQEVMRMP-CVDCTZTESA-N 1 3 396.579 3.971 20 0 GHADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000481297480 860957689 /nfs/dbraw/zinc/95/76/89/860957689.db2.gz XATMDOSUIKQXSL-KRWDZBQOSA-N 1 3 389.565 3.751 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000481321416 861037600 /nfs/dbraw/zinc/03/76/00/861037600.db2.gz OTZMXNNJMITKFD-OFVILXPXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000481321416 861037618 /nfs/dbraw/zinc/03/76/18/861037618.db2.gz OTZMXNNJMITKFD-OFVILXPXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC(NC(=O)C3CCC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168050958 863508761 /nfs/dbraw/zinc/50/87/61/863508761.db2.gz DUQJYFQJRXGTHF-BBIADKPPSA-N 1 3 383.580 3.809 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC(NC(=O)C3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168050958 863508766 /nfs/dbraw/zinc/50/87/66/863508766.db2.gz DUQJYFQJRXGTHF-BBIADKPPSA-N 1 3 383.580 3.809 20 0 GHADHO C[NH+](C)CCOC1CCN(Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000537629683 881696630 /nfs/dbraw/zinc/69/66/30/881696630.db2.gz VECVRIMQKZQGFZ-UHFFFAOYSA-N 1 3 386.511 3.947 20 0 GHADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000621642600 864347185 /nfs/dbraw/zinc/34/71/85/864347185.db2.gz RBUSZLXZGJLLEO-QFBILLFUSA-N 1 3 399.501 3.984 20 0 GHADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000480280894 864419973 /nfs/dbraw/zinc/41/99/73/864419973.db2.gz URHSWPDJVYPUAM-QGZVFWFLSA-N 1 3 387.549 3.505 20 0 GHADHO c1cn(-c2ccccc2)c(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000480303560 864448182 /nfs/dbraw/zinc/44/81/82/864448182.db2.gz BXYZEZLQBVSXNO-UHFFFAOYSA-N 1 3 390.531 3.679 20 0 GHADHO COc1cc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cc(OC)c1OCc1ccccc1 ZINC000622044875 864714060 /nfs/dbraw/zinc/71/40/60/864714060.db2.gz WMLMPKLQBIEOJP-RTWAWAEBSA-N 1 3 398.547 3.932 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166241117 864726256 /nfs/dbraw/zinc/72/62/56/864726256.db2.gz BEFGOYFUNMGGTM-ILBGXUMGSA-N 1 3 393.575 3.692 20 0 GHADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000608685901 865591886 /nfs/dbraw/zinc/59/18/86/865591886.db2.gz ZAZKZXVEGOCBSD-QFIPXVFZSA-N 1 3 386.584 3.635 20 0 GHADHO COC(=O)COc1c(C)cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000063903500 865609626 /nfs/dbraw/zinc/60/96/26/865609626.db2.gz NCVYXKPHUFMHEB-UHFFFAOYSA-N 1 3 396.531 3.741 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166673 865908524 /nfs/dbraw/zinc/90/85/24/865908524.db2.gz BOUGZEJKFGXOHS-AZUAARDMSA-N 1 3 395.572 3.626 20 0 GHADHO O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000555380591 866034555 /nfs/dbraw/zinc/03/45/55/866034555.db2.gz YMQJFKIZYLIGBW-GMKZXUHWSA-N 1 3 382.523 3.716 20 0 GHADHO O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000555380591 866034571 /nfs/dbraw/zinc/03/45/71/866034571.db2.gz YMQJFKIZYLIGBW-GMKZXUHWSA-N 1 3 382.523 3.716 20 0 GHADHO CCOc1cccc([C@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000840889120 866186052 /nfs/dbraw/zinc/18/60/52/866186052.db2.gz OOWVHJFKIQVDDK-SFHVURJKSA-N 1 3 395.547 3.633 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C[C@@H](C)O1 ZINC000479054462 867065869 /nfs/dbraw/zinc/06/58/69/867065869.db2.gz GHMWCKWVBLKNMQ-WOIUINJBSA-N 1 3 382.552 3.729 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000154214324 867303707 /nfs/dbraw/zinc/30/37/07/867303707.db2.gz UGEFOTWVOYFRSF-NRFANRHFSA-N 1 3 381.564 3.944 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479355522 867600305 /nfs/dbraw/zinc/60/03/05/867600305.db2.gz CZGFIZCYARZPRV-KUHUBIRLSA-N 1 3 398.364 3.655 20 0 GHADHO COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)cc1 ZINC000857247834 882142525 /nfs/dbraw/zinc/14/25/25/882142525.db2.gz GBDKTPIRPVSUPD-JTHBVZDNSA-N 1 3 395.547 3.537 20 0 GHADHO COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857247834 882142538 /nfs/dbraw/zinc/14/25/38/882142538.db2.gz GBDKTPIRPVSUPD-JTHBVZDNSA-N 1 3 395.547 3.537 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000155674614 868021642 /nfs/dbraw/zinc/02/16/42/868021642.db2.gz XUKVRFLNXXCAAB-OFNKIYASSA-N 1 3 387.612 3.550 20 0 GHADHO C[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000157027608 868533438 /nfs/dbraw/zinc/53/34/38/868533438.db2.gz DFEZFHATXVGAMU-IBGZPJMESA-N 1 3 390.535 3.745 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000535397656 868687769 /nfs/dbraw/zinc/68/77/69/868687769.db2.gz HKCZUBYFKDJXBI-DHIUTWEWSA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524447489 869096523 /nfs/dbraw/zinc/09/65/23/869096523.db2.gz RFTLNNRDYCZBGT-IFMALSPDSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524447489 869096526 /nfs/dbraw/zinc/09/65/26/869096526.db2.gz RFTLNNRDYCZBGT-IFMALSPDSA-N 1 3 386.584 3.605 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C[C@H]1C ZINC000524880084 869725940 /nfs/dbraw/zinc/72/59/40/869725940.db2.gz LDWOVKBDIWCIAQ-VIZSFHNOSA-N 1 3 385.596 3.661 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C[C@H]1C ZINC000524880084 869725949 /nfs/dbraw/zinc/72/59/49/869725949.db2.gz LDWOVKBDIWCIAQ-VIZSFHNOSA-N 1 3 385.596 3.661 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000524932547 869770967 /nfs/dbraw/zinc/77/09/67/869770967.db2.gz DTFJFMFRBUVCBD-SFHVURJKSA-N 1 3 386.584 3.602 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000539825445 869832394 /nfs/dbraw/zinc/83/23/94/869832394.db2.gz SQZJAOMGTJFJOZ-XUZZJYLKSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000539825445 869832401 /nfs/dbraw/zinc/83/24/01/869832401.db2.gz SQZJAOMGTJFJOZ-XUZZJYLKSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000539825442 869832498 /nfs/dbraw/zinc/83/24/98/869832498.db2.gz SQZJAOMGTJFJOZ-QPPBQGQZSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000539825442 869832511 /nfs/dbraw/zinc/83/25/11/869832511.db2.gz SQZJAOMGTJFJOZ-QPPBQGQZSA-N 1 3 393.575 3.723 20 0 GHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818347 869847810 /nfs/dbraw/zinc/84/78/10/869847810.db2.gz WSHKWKATMZNALW-HOCLYGCPSA-N 1 3 397.357 3.915 20 0 GHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818347 869847821 /nfs/dbraw/zinc/84/78/21/869847821.db2.gz WSHKWKATMZNALW-HOCLYGCPSA-N 1 3 397.357 3.915 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOCC4CCOCC4)[C@H]3C2)cc1 ZINC000248392834 870363645 /nfs/dbraw/zinc/36/36/45/870363645.db2.gz DILVEMTXBWBNKK-HJOGWXRNSA-N 1 3 386.580 3.710 20 0 GHADHO C[C@@H](NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000248397484 870371022 /nfs/dbraw/zinc/37/10/22/870371022.db2.gz LTMVEAJUALDNIS-FOUBCARRSA-N 1 3 385.577 3.672 20 0 GHADHO Cn1c(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)nc2cc(F)ccc21 ZINC000248406997 870384041 /nfs/dbraw/zinc/38/40/41/870384041.db2.gz CNSXMHAZDJDBFW-HMXCVIKNSA-N 1 3 392.522 3.755 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000538732632 870460690 /nfs/dbraw/zinc/46/06/90/870460690.db2.gz DPHITESNMWWAGP-UHFFFAOYSA-N 1 3 390.959 3.685 20 0 GHADHO CC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CCCCC1 ZINC001192585122 870518485 /nfs/dbraw/zinc/51/84/85/870518485.db2.gz OMUDBTVHNAEIDR-QFIPXVFZSA-N 1 3 386.584 3.716 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000508867374 870636245 /nfs/dbraw/zinc/63/62/45/870636245.db2.gz COCSLGDEASAGJE-GMLUQMLDSA-N 1 3 386.540 3.699 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 ZINC000540171165 870655636 /nfs/dbraw/zinc/65/56/36/870655636.db2.gz TTYMGFZAIFKIFA-RCCFBDPRSA-N 1 3 395.975 3.845 20 0 GHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCN(C(=O)CC(F)(F)F)CC3)CC2)C1 ZINC000540180516 870696696 /nfs/dbraw/zinc/69/66/96/870696696.db2.gz DZHLLSBNOWZWBP-QAPCUYQASA-N 1 3 389.506 3.563 20 0 GHADHO COc1ccccc1NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538946175 870955085 /nfs/dbraw/zinc/95/50/85/870955085.db2.gz YWVCFZWUGWPREZ-SFHVURJKSA-N 1 3 396.535 3.656 20 0 GHADHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c(C)c1 ZINC000090028188 871088177 /nfs/dbraw/zinc/08/81/77/871088177.db2.gz RJMRCVIASVCTMR-HXUWFJFHSA-N 1 3 379.548 3.980 20 0 GHADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000920933782 882480777 /nfs/dbraw/zinc/48/07/77/882480777.db2.gz INZWYISTCQSVIR-IFMALSPDSA-N 1 3 378.520 3.896 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001169101253 871175518 /nfs/dbraw/zinc/17/55/18/871175518.db2.gz PWIPYXOLKXJAPX-PLACYPQZSA-N 1 3 385.552 3.563 20 0 GHADHO COC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000539073517 871260766 /nfs/dbraw/zinc/26/07/66/871260766.db2.gz MGQARQFHMSNTFG-MDZRGWNJSA-N 1 3 388.474 3.872 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000091375066 871277971 /nfs/dbraw/zinc/27/79/71/871277971.db2.gz UBUPEGYRALJZFL-QHCPKHFHSA-N 1 3 377.532 3.753 20 0 GHADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000252646009 871338936 /nfs/dbraw/zinc/33/89/36/871338936.db2.gz DEJRPBXOHATQJW-RBUKOAKNSA-N 1 3 392.613 3.504 20 0 GHADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000252646009 871338954 /nfs/dbraw/zinc/33/89/54/871338954.db2.gz DEJRPBXOHATQJW-RBUKOAKNSA-N 1 3 392.613 3.504 20 0 GHADHO CCOC(=O)N1CCC[C@@H](N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001169710150 871793199 /nfs/dbraw/zinc/79/31/99/871793199.db2.gz MIFLIRHMURSHHJ-OAQYLSRUSA-N 1 3 391.531 3.733 20 0 GHADHO CCOC(=O)N1CCC[C@@H](N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001169710150 871793207 /nfs/dbraw/zinc/79/32/07/871793207.db2.gz MIFLIRHMURSHHJ-OAQYLSRUSA-N 1 3 391.531 3.733 20 0 GHADHO Cc1ccccc1NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821639 871850438 /nfs/dbraw/zinc/85/04/38/871850438.db2.gz JBCZJBLGXJNBRJ-IBGZPJMESA-N 1 3 380.536 3.956 20 0 GHADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821203 871850481 /nfs/dbraw/zinc/85/04/81/871850481.db2.gz GZEUQVYMVSFAOE-FPOVZHCZSA-N 1 3 386.584 3.800 20 0 GHADHO O=C1COc2ccc(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc2N1 ZINC000552059988 871953400 /nfs/dbraw/zinc/95/34/00/871953400.db2.gz BSHYQYHWMPNZCX-UHFFFAOYSA-N 1 3 391.515 3.506 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000477929318 872158429 /nfs/dbraw/zinc/15/84/29/872158429.db2.gz QZNQLXZNXHHIFV-IQFVJIFQSA-N 1 3 382.523 3.619 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000477929318 872158441 /nfs/dbraw/zinc/15/84/41/872158441.db2.gz QZNQLXZNXHHIFV-IQFVJIFQSA-N 1 3 382.523 3.619 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000477929318 872158448 /nfs/dbraw/zinc/15/84/48/872158448.db2.gz QZNQLXZNXHHIFV-IQFVJIFQSA-N 1 3 382.523 3.619 20 0 GHADHO CN(C)[C@H]1CCOc2c(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cccc21 ZINC000447721430 872209645 /nfs/dbraw/zinc/20/96/45/872209645.db2.gz FYIOMHBQCHSOLO-NRFANRHFSA-N 1 3 379.504 3.920 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1CN1CCCCC1 ZINC000763558898 872535807 /nfs/dbraw/zinc/53/58/07/872535807.db2.gz NEUGMZIHPDFOHI-XMSQKQJNSA-N 1 3 390.568 3.509 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CC2CCN(C(C)=O)CC2)cc1CN1CCCCC1 ZINC000182856689 872867305 /nfs/dbraw/zinc/86/73/05/872867305.db2.gz BCOYIXDWCCYTAQ-GOSISDBHSA-N 1 3 387.568 3.590 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccsc1 ZINC000478403682 872951928 /nfs/dbraw/zinc/95/19/28/872951928.db2.gz KVCUCJUQAGSMJA-GOSISDBHSA-N 1 3 380.602 3.552 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000768926852 873697658 /nfs/dbraw/zinc/69/76/58/873697658.db2.gz OZURGEFJPUZLJJ-UHFFFAOYSA-N 1 3 396.579 3.624 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000768926852 873697662 /nfs/dbraw/zinc/69/76/62/873697662.db2.gz OZURGEFJPUZLJJ-UHFFFAOYSA-N 1 3 396.579 3.624 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000527933537 873809142 /nfs/dbraw/zinc/80/91/42/873809142.db2.gz OWQSAOWZSZETQA-LPHOPBHVSA-N 1 3 380.458 3.672 20 0 GHADHO COC1(C[C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000550882201 882763627 /nfs/dbraw/zinc/76/36/27/882763627.db2.gz KCKSNACPVCWEQW-UNMCSNQZSA-N 1 3 386.580 3.853 20 0 GHADHO C[NH+](C)Cc1ccc(CNCc2ccc(I)cc2)cc1 ZINC000449062778 874399929 /nfs/dbraw/zinc/39/99/29/874399929.db2.gz MRYRRVXIDJJPAC-UHFFFAOYSA-N 1 3 380.273 3.643 20 0 GHADHO COc1ccc2c(c1)OC[C@@H](NC1CC[NH+]([C@@H](C)Cc3ccccc3)CC1)C2 ZINC000449204977 874584305 /nfs/dbraw/zinc/58/43/05/874584305.db2.gz NFDCVXQNKVDFNG-AVRDEDQJSA-N 1 3 380.532 3.684 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCC4(C[C@@H]3F)OCCO4)cc2)C1 ZINC001199265570 874882311 /nfs/dbraw/zinc/88/23/11/874882311.db2.gz BWRHSWHHFVQXTO-QMMLZNLJSA-N 1 3 376.516 3.642 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCC4(C[C@@H]3F)OCCO4)cc2)C1 ZINC001199265570 874882316 /nfs/dbraw/zinc/88/23/16/874882316.db2.gz BWRHSWHHFVQXTO-QMMLZNLJSA-N 1 3 376.516 3.642 20 0 GHADHO Cc1cc(Br)ccc1NC(=O)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623395685 875159869 /nfs/dbraw/zinc/15/98/69/875159869.db2.gz VAQRLFJBJFZYHT-HNNXBMFYSA-N 1 3 382.346 3.549 20 0 GHADHO Cc1cc(Br)ccc1NC(=O)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623395685 875159878 /nfs/dbraw/zinc/15/98/78/875159878.db2.gz VAQRLFJBJFZYHT-HNNXBMFYSA-N 1 3 382.346 3.549 20 0 GHADHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C[C@H]2CC=CCC2)C3)nc1 ZINC001201412261 875672602 /nfs/dbraw/zinc/67/26/02/875672602.db2.gz VFTPTCHEHXPODT-PWWKTKHKSA-N 1 3 395.591 3.988 20 0 GHADHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C[C@H]2CC=CCC2)C3)nc1 ZINC001201412261 875672605 /nfs/dbraw/zinc/67/26/05/875672605.db2.gz VFTPTCHEHXPODT-PWWKTKHKSA-N 1 3 395.591 3.988 20 0 GHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000450191847 876057152 /nfs/dbraw/zinc/05/71/52/876057152.db2.gz HMQOPLKEKVBKRI-XMSQKQJNSA-N 1 3 384.568 3.520 20 0 GHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450191847 876057168 /nfs/dbraw/zinc/05/71/68/876057168.db2.gz HMQOPLKEKVBKRI-XMSQKQJNSA-N 1 3 384.568 3.520 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccc4ccccc4c3)c2)C1 ZINC000108420849 876466602 /nfs/dbraw/zinc/46/66/02/876466602.db2.gz NCYLVCQNGBZQIF-XMMPIXPASA-N 1 3 387.527 3.827 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc4ccccc4c3)c2)C1 ZINC000108420849 876466607 /nfs/dbraw/zinc/46/66/07/876466607.db2.gz NCYLVCQNGBZQIF-XMMPIXPASA-N 1 3 387.527 3.827 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2C1 ZINC000850018343 876602880 /nfs/dbraw/zinc/60/28/80/876602880.db2.gz UKCFAXFCPNBSBS-UHFFFAOYSA-N 1 3 385.552 3.696 20 0 GHADHO c1ccc(CCN2CCC([NH2+]C[C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000192927204 883048691 /nfs/dbraw/zinc/04/86/91/883048691.db2.gz NUWVZBIQDBZHSN-XMMPIXPASA-N 1 3 377.576 3.805 20 0 GHADHO CN(C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174126843 876845845 /nfs/dbraw/zinc/84/58/45/876845845.db2.gz FDVYGMAJWXLZFE-QHCPKHFHSA-N 1 3 394.563 3.554 20 0 GHADHO CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174189723 876888275 /nfs/dbraw/zinc/88/82/75/876888275.db2.gz ITXQKNGLNWESCH-OAQYLSRUSA-N 1 3 386.584 3.555 20 0 GHADHO O[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421704 876903040 /nfs/dbraw/zinc/90/30/40/876903040.db2.gz XPSMKNPBXQCOQA-FXAWDEMLSA-N 1 3 390.449 3.924 20 0 GHADHO O[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421704 876903052 /nfs/dbraw/zinc/90/30/52/876903052.db2.gz XPSMKNPBXQCOQA-FXAWDEMLSA-N 1 3 390.449 3.924 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507223 876980227 /nfs/dbraw/zinc/98/02/27/876980227.db2.gz IEMQFFIASXGKAD-DYVFJYSZSA-N 1 3 394.346 3.993 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507223 876980233 /nfs/dbraw/zinc/98/02/33/876980233.db2.gz IEMQFFIASXGKAD-DYVFJYSZSA-N 1 3 394.346 3.993 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000850516379 876987189 /nfs/dbraw/zinc/98/71/89/876987189.db2.gz DERWPDPPLFREHP-GOSISDBHSA-N 1 3 394.519 3.601 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnn(-c2ccccc2)c1 ZINC000850517302 876988446 /nfs/dbraw/zinc/98/84/46/876988446.db2.gz YHSRJZZBFMWMAW-IBGZPJMESA-N 1 3 375.520 3.830 20 0 GHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000477247744 877293811 /nfs/dbraw/zinc/29/38/11/877293811.db2.gz JVIIBDYIVGFCPR-LJQANCHMSA-N 1 3 392.588 3.562 20 0 GHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000477247744 877293850 /nfs/dbraw/zinc/29/38/50/877293850.db2.gz JVIIBDYIVGFCPR-LJQANCHMSA-N 1 3 392.588 3.562 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455580 877611252 /nfs/dbraw/zinc/61/12/52/877611252.db2.gz YHWYDWZCFSQAOG-QSFXBCCZSA-N 1 3 377.454 3.832 20 0 GHADHO CSc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000245462135 877928441 /nfs/dbraw/zinc/92/84/41/877928441.db2.gz NNVJZGWIVFVRED-DYESRHJHSA-N 1 3 397.588 3.957 20 0 GHADHO CSc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000245462135 877928444 /nfs/dbraw/zinc/92/84/44/877928444.db2.gz NNVJZGWIVFVRED-DYESRHJHSA-N 1 3 397.588 3.957 20 0 GHADHO CC(C)(C)CCN1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000615630293 877959440 /nfs/dbraw/zinc/95/94/40/877959440.db2.gz DICWIBVICLHMMX-UHFFFAOYSA-N 1 3 386.584 3.546 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)nc1 ZINC000852017790 878034950 /nfs/dbraw/zinc/03/49/50/878034950.db2.gz FVVIUSZXTBMRGE-SFHVURJKSA-N 1 3 386.927 3.564 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176268809 878174671 /nfs/dbraw/zinc/17/46/71/878174671.db2.gz GVSSACWJUSVBQZ-NRFANRHFSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176268809 878174682 /nfs/dbraw/zinc/17/46/82/878174682.db2.gz GVSSACWJUSVBQZ-NRFANRHFSA-N 1 3 386.584 3.557 20 0 GHADHO Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)s2)cn1 ZINC000509473697 878619918 /nfs/dbraw/zinc/61/99/18/878619918.db2.gz XDKHMAFMVASVNF-IBGZPJMESA-N 1 3 380.561 3.803 20 0 GHADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000177449070 878707776 /nfs/dbraw/zinc/70/77/76/878707776.db2.gz FPOOHNFILMLDRT-LJQANCHMSA-N 1 3 387.543 3.561 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000530961038 878809615 /nfs/dbraw/zinc/80/96/15/878809615.db2.gz CJCBKBSUXWOVLM-IAGOWNOFSA-N 1 3 390.959 3.813 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000530961039 878810256 /nfs/dbraw/zinc/81/02/56/878810256.db2.gz CJCBKBSUXWOVLM-IRXDYDNUSA-N 1 3 390.959 3.813 20 0 GHADHO COCCC[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000177984978 878936859 /nfs/dbraw/zinc/93/68/59/878936859.db2.gz QZWYLTUNIFKYHM-OAQYLSRUSA-N 1 3 381.564 3.914 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285708697 912400391 /nfs/dbraw/zinc/40/03/91/912400391.db2.gz ORLCWKFIPBQKMG-DEOSSOPVSA-N 1 3 392.547 3.878 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285708697 912400406 /nfs/dbraw/zinc/40/04/06/912400406.db2.gz ORLCWKFIPBQKMG-DEOSSOPVSA-N 1 3 392.547 3.878 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000667054107 878961018 /nfs/dbraw/zinc/96/10/18/878961018.db2.gz JHJYWMWJFDCULI-SCWSEQNSSA-N 1 3 376.541 3.591 20 0 GHADHO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1OCC ZINC000246277678 879327685 /nfs/dbraw/zinc/32/76/85/879327685.db2.gz BEZDMHAYFHUROI-DZFGPLHGSA-N 1 3 390.568 3.903 20 0 GHADHO C[C@H](OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503617 879630251 /nfs/dbraw/zinc/63/02/51/879630251.db2.gz HUANKLFNIVVUDP-MZTRBVECSA-N 1 3 392.971 3.727 20 0 GHADHO C[C@H](OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503617 879630262 /nfs/dbraw/zinc/63/02/62/879630262.db2.gz HUANKLFNIVVUDP-MZTRBVECSA-N 1 3 392.971 3.727 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000246554700 879678496 /nfs/dbraw/zinc/67/84/96/879678496.db2.gz REYSJUHGNWTOSB-UEVCKROQSA-N 1 3 394.563 3.642 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000246554700 879678505 /nfs/dbraw/zinc/67/85/05/879678505.db2.gz REYSJUHGNWTOSB-UEVCKROQSA-N 1 3 394.563 3.642 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000246975615 879869926 /nfs/dbraw/zinc/86/99/26/879869926.db2.gz JTEJAHZDGVCMAU-BRWVUGGUSA-N 1 3 381.948 3.536 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000617504512 880008680 /nfs/dbraw/zinc/00/86/80/880008680.db2.gz ZBFNXZFRCBYENP-LBPRGKRZSA-N 1 3 385.936 3.696 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000617504512 880008696 /nfs/dbraw/zinc/00/86/96/880008696.db2.gz ZBFNXZFRCBYENP-LBPRGKRZSA-N 1 3 385.936 3.696 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000453114501 880483192 /nfs/dbraw/zinc/48/31/92/880483192.db2.gz VTBKUOGHNMONJC-VQTJNVASSA-N 1 3 382.552 3.798 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000120096148 881258876 /nfs/dbraw/zinc/25/88/76/881258876.db2.gz JTERWPMWBQIMRD-UTKZUKDTSA-N 1 3 391.515 3.745 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310149 912684808 /nfs/dbraw/zinc/68/48/08/912684808.db2.gz XBWXEXAIILXFBQ-HOTGVXAUSA-N 1 3 385.533 3.642 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310149 912684816 /nfs/dbraw/zinc/68/48/16/912684816.db2.gz XBWXEXAIILXFBQ-HOTGVXAUSA-N 1 3 385.533 3.642 20 0 GHADHO Cc1cc(Cl)ccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910519 883349217 /nfs/dbraw/zinc/34/92/17/883349217.db2.gz FNMLWOMEZINNAN-LJQANCHMSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1cc(Cl)ccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910519 883349230 /nfs/dbraw/zinc/34/92/30/883349230.db2.gz FNMLWOMEZINNAN-LJQANCHMSA-N 1 3 394.906 3.887 20 0 GHADHO CN(C)C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000476906563 883358821 /nfs/dbraw/zinc/35/88/21/883358821.db2.gz NTFLSGRXIAVGEW-QFIPXVFZSA-N 1 3 398.526 3.524 20 0 GHADHO Fc1cc(Cl)ccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910774 883475862 /nfs/dbraw/zinc/47/58/62/883475862.db2.gz LKROLOZGMFPRAN-KRWDZBQOSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1cc(Cl)ccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910774 883475869 /nfs/dbraw/zinc/47/58/69/883475869.db2.gz LKROLOZGMFPRAN-KRWDZBQOSA-N 1 3 398.869 3.718 20 0 GHADHO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](c1ccccc1)N(C)C ZINC000476993461 883531509 /nfs/dbraw/zinc/53/15/09/883531509.db2.gz VJWFPNRUXOSMFM-WMZHIEFXSA-N 1 3 394.563 3.773 20 0 GHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000195729661 883606053 /nfs/dbraw/zinc/60/60/53/883606053.db2.gz OZPSXJCUBDVMSN-QHCPKHFHSA-N 1 3 398.595 3.777 20 0 GHADHO Cc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc1Cl ZINC001211911253 883639847 /nfs/dbraw/zinc/63/98/47/883639847.db2.gz PTDFURAODCQJKU-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc1Cl ZINC001211911253 883639853 /nfs/dbraw/zinc/63/98/53/883639853.db2.gz PTDFURAODCQJKU-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO Clc1cccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211911922 883973792 /nfs/dbraw/zinc/97/37/92/883973792.db2.gz VFCZZHGLLUQAQR-GOSISDBHSA-N 1 3 380.879 3.579 20 0 GHADHO Clc1cccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211911922 883973798 /nfs/dbraw/zinc/97/37/98/883973798.db2.gz VFCZZHGLLUQAQR-GOSISDBHSA-N 1 3 380.879 3.579 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000556217601 884116468 /nfs/dbraw/zinc/11/64/68/884116468.db2.gz NFWWVOHCMYAESI-NZQKXSOJSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@H](NCc1cccc(N2CCOCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556217601 884116479 /nfs/dbraw/zinc/11/64/79/884116479.db2.gz NFWWVOHCMYAESI-NZQKXSOJSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@H](NCc1cccc(N2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556217601 884116486 /nfs/dbraw/zinc/11/64/86/884116486.db2.gz NFWWVOHCMYAESI-NZQKXSOJSA-N 1 3 379.548 3.523 20 0 GHADHO O=C(OCC1CCN(Cc2ccco2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805901411 884187075 /nfs/dbraw/zinc/18/70/75/884187075.db2.gz JKCMNQFCRZLVEJ-UHFFFAOYSA-N 1 3 382.504 3.944 20 0 GHADHO CN1CCO[C@@H]([C@H](NCCCCC[NH+]2CCCC2)c2ccc(Cl)cc2)C1 ZINC000556234384 884187787 /nfs/dbraw/zinc/18/77/87/884187787.db2.gz XCFJJIVVIGXQTQ-NHCUHLMSSA-N 1 3 379.976 3.567 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000498566877 884853850 /nfs/dbraw/zinc/85/38/50/884853850.db2.gz KBONTXLDAIKAPM-IBGZPJMESA-N 1 3 379.548 3.910 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000498566877 884853866 /nfs/dbraw/zinc/85/38/66/884853866.db2.gz KBONTXLDAIKAPM-IBGZPJMESA-N 1 3 379.548 3.910 20 0 GHADHO Cc1ccccc1CN(C)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000460350321 884934710 /nfs/dbraw/zinc/93/47/10/884934710.db2.gz KBKDCMORZGDDHI-SFTDATJTSA-N 1 3 393.575 3.700 20 0 GHADHO Cc1cc(F)c(F)c(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211915983 885203463 /nfs/dbraw/zinc/20/34/63/885203463.db2.gz NUWYZGATFBBTDZ-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(F)c(F)c(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211915983 885203479 /nfs/dbraw/zinc/20/34/79/885203479.db2.gz NUWYZGATFBBTDZ-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1ccc(F)c(CN2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000130901379 885319175 /nfs/dbraw/zinc/31/91/75/885319175.db2.gz PEZSUABLSMGYOK-UHFFFAOYSA-N 1 3 397.538 3.594 20 0 GHADHO Cc1ccc(F)c(CN2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000130901379 885319193 /nfs/dbraw/zinc/31/91/93/885319193.db2.gz PEZSUABLSMGYOK-UHFFFAOYSA-N 1 3 397.538 3.594 20 0 GHADHO CCCNc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncc1C ZINC001170522458 885409033 /nfs/dbraw/zinc/40/90/33/885409033.db2.gz KVRLGNDUNDGSPZ-UHFFFAOYSA-N 1 3 392.551 3.516 20 0 GHADHO CC(C)(C)c1nccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170524286 885440095 /nfs/dbraw/zinc/44/00/95/885440095.db2.gz JTQMZGKYQYXXQA-UHFFFAOYSA-N 1 3 377.536 3.684 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN1CCC(C)CC1 ZINC000532454468 885520191 /nfs/dbraw/zinc/52/01/91/885520191.db2.gz YZVSVSRYFBJLIV-GOSISDBHSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[NH+]1CCC(C)CC1 ZINC000532454468 885520205 /nfs/dbraw/zinc/52/02/05/885520205.db2.gz YZVSVSRYFBJLIV-GOSISDBHSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000807620932 885577813 /nfs/dbraw/zinc/57/78/13/885577813.db2.gz SYUMOSVBUXXNJC-XXBNENTESA-N 1 3 394.563 3.553 20 0 GHADHO C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495444922 885830080 /nfs/dbraw/zinc/83/00/80/885830080.db2.gz OBJVOSSSOOHYQN-UWXQAFAOSA-N 1 3 391.559 3.676 20 0 GHADHO C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444922 885830097 /nfs/dbraw/zinc/83/00/97/885830097.db2.gz OBJVOSSSOOHYQN-UWXQAFAOSA-N 1 3 391.559 3.676 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCCCC[N@H+](C)C2CC2)c2cccs2)CC1 ZINC000454160376 886340709 /nfs/dbraw/zinc/34/07/09/886340709.db2.gz VOXJIXMICNGJAH-LJQANCHMSA-N 1 3 392.613 3.695 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)c2cccs2)CC1 ZINC000454160376 886340717 /nfs/dbraw/zinc/34/07/17/886340717.db2.gz VOXJIXMICNGJAH-LJQANCHMSA-N 1 3 392.613 3.695 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869864 886424115 /nfs/dbraw/zinc/42/41/15/886424115.db2.gz KJGANFLIBQJUCJ-XZOQPEGZSA-N 1 3 379.548 3.933 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869864 886424127 /nfs/dbraw/zinc/42/41/27/886424127.db2.gz KJGANFLIBQJUCJ-XZOQPEGZSA-N 1 3 379.548 3.933 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000536590054 887361295 /nfs/dbraw/zinc/36/12/95/887361295.db2.gz PLHZAMCDMXSTAG-UHFFFAOYSA-N 1 3 382.552 3.714 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000536590054 887361310 /nfs/dbraw/zinc/36/13/10/887361310.db2.gz PLHZAMCDMXSTAG-UHFFFAOYSA-N 1 3 382.552 3.714 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3SC(F)F)CC2)CC1 ZINC000195342863 888681258 /nfs/dbraw/zinc/68/12/58/888681258.db2.gz HAECWOSRPHPWBB-UHFFFAOYSA-N 1 3 398.523 3.681 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000465535445 889309520 /nfs/dbraw/zinc/30/95/20/889309520.db2.gz YCNVTQREOQFYAI-RBUKOAKNSA-N 1 3 380.602 3.647 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000465535445 889309536 /nfs/dbraw/zinc/30/95/36/889309536.db2.gz YCNVTQREOQFYAI-RBUKOAKNSA-N 1 3 380.602 3.647 20 0 GHADHO C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2F)[C@@H]1c1cccs1 ZINC000644573948 913375478 /nfs/dbraw/zinc/37/54/78/913375478.db2.gz BDGLXVOPHDQKCK-MGPUTAFESA-N 1 3 375.513 3.889 20 0 GHADHO C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2F)[C@@H]1c1cccs1 ZINC000644573948 913375483 /nfs/dbraw/zinc/37/54/83/913375483.db2.gz BDGLXVOPHDQKCK-MGPUTAFESA-N 1 3 375.513 3.889 20 0 GHADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)CCCO2 ZINC000126609125 890611970 /nfs/dbraw/zinc/61/19/70/890611970.db2.gz HIQROCYMESDBBV-JOCHJYFZSA-N 1 3 394.563 3.960 20 0 GHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@]23CC[NH2+][C@@H]2COCC3)cc1 ZINC001170681666 890765160 /nfs/dbraw/zinc/76/51/60/890765160.db2.gz UHCZJVLZFXIOKL-VXWZWFMZSA-N 1 3 388.515 3.579 20 0 GHADHO COc1ccc(Br)c(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459388683 891236550 /nfs/dbraw/zinc/23/65/50/891236550.db2.gz OXJIXXBSNCLCMF-UHFFFAOYSA-N 1 3 376.298 3.611 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1cccc(C(F)(F)F)c1 ZINC000873247351 891548527 /nfs/dbraw/zinc/54/85/27/891548527.db2.gz LJMSKCZUELOHEN-CYBMUJFWSA-N 1 3 375.398 3.596 20 0 GHADHO C[C@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000497735300 892288386 /nfs/dbraw/zinc/28/83/86/892288386.db2.gz GZBLGBVLBNPHKX-RBBKRZOGSA-N 1 3 386.584 3.605 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000533740543 892712800 /nfs/dbraw/zinc/71/28/00/892712800.db2.gz NBUIDNWQQSUYTP-VKGTZQKMSA-N 1 3 399.604 3.807 20 0 GHADHO COc1ccc(-c2ccccc2C)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000459432470 893521315 /nfs/dbraw/zinc/52/13/15/893521315.db2.gz FTUJSIMKZDTYPO-UHFFFAOYSA-N 1 3 382.548 3.996 20 0 GHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000536695441 893557846 /nfs/dbraw/zinc/55/78/46/893557846.db2.gz BNTFJQMAELKXQQ-IBGZPJMESA-N 1 3 376.932 3.663 20 0 GHADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524976 893727003 /nfs/dbraw/zinc/72/70/03/893727003.db2.gz XGTIEUGCKXDSPZ-TZIWHRDSSA-N 1 3 383.580 3.503 20 0 GHADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524976 893727016 /nfs/dbraw/zinc/72/70/16/893727016.db2.gz XGTIEUGCKXDSPZ-TZIWHRDSSA-N 1 3 383.580 3.503 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C[N@@H+]1Cc1ccccc1 ZINC000563504825 893838999 /nfs/dbraw/zinc/83/89/99/893838999.db2.gz RSAWSAJWTJSHPT-IEBWSBKVSA-N 1 3 378.520 3.712 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C[N@H+]1Cc1ccccc1 ZINC000563504825 893839010 /nfs/dbraw/zinc/83/90/10/893839010.db2.gz RSAWSAJWTJSHPT-IEBWSBKVSA-N 1 3 378.520 3.712 20 0 GHADHO CC[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049293 894267531 /nfs/dbraw/zinc/26/75/31/894267531.db2.gz APUCWSPPXXSERG-PZJWPPBQSA-N 1 3 387.568 3.603 20 0 GHADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCCN(Cc4ccccc4)CC3)ccc21 ZINC000455851159 894709117 /nfs/dbraw/zinc/70/91/17/894709117.db2.gz DWMLZSUGIUDGEZ-QHCPKHFHSA-N 1 3 392.547 3.975 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(SC)cc3OC)CC2)CC1 ZINC000564348102 894887711 /nfs/dbraw/zinc/88/77/11/894887711.db2.gz JCCYWNQEAPRUOU-UHFFFAOYSA-N 1 3 391.581 3.552 20 0 GHADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(NC2=NCCC2)cc1 ZINC001135986885 895864631 /nfs/dbraw/zinc/86/46/31/895864631.db2.gz NYIDSHSCQRZFRH-UHFFFAOYSA-N 1 3 376.504 3.817 20 0 GHADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000817892098 895951326 /nfs/dbraw/zinc/95/13/26/895951326.db2.gz QRBUAWUXVQSHSU-CODAWKSHSA-N 1 3 391.515 3.720 20 0 GHADHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)c1c(F)cccc1F ZINC000817918668 895960863 /nfs/dbraw/zinc/96/08/63/895960863.db2.gz MIOQSYROYXNZMC-XHIHJMKYSA-N 1 3 388.458 3.622 20 0 GHADHO [NH3+]CCc1ccc(CN[C@@H]2CCCOc3c(Br)cccc32)cc1 ZINC000817947952 895974014 /nfs/dbraw/zinc/97/40/14/895974014.db2.gz GWKBZWNYLQDWKM-GOSISDBHSA-N 1 3 375.310 3.954 20 0 GHADHO CCOc1ccc(Cc2cc(Br)ccc2N[C@H](N)CCC[NH3+])cc1 ZINC001170898059 896106041 /nfs/dbraw/zinc/10/60/41/896106041.db2.gz BHLAFSBOOWVXTR-IBGZPJMESA-N 1 3 392.341 3.874 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818431625 896136274 /nfs/dbraw/zinc/13/62/74/896136274.db2.gz QFEKRLSHOQGOFJ-HNNXBMFYSA-N 1 3 390.934 3.996 20 0 GHADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000819015196 896350163 /nfs/dbraw/zinc/35/01/63/896350163.db2.gz FGLHWHFTKDESOO-GHTZIAJQSA-N 1 3 392.465 3.893 20 0 GHADHO CN(c1ccccc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000566534910 896359901 /nfs/dbraw/zinc/35/99/01/896359901.db2.gz SLYRZJUWNYCEQU-GOTSBHOMSA-N 1 3 383.580 3.751 20 0 GHADHO Cc1ccc([C@H](O)CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333854 896577073 /nfs/dbraw/zinc/57/70/73/896577073.db2.gz RGUJTVJFPVVIPI-BJKOFHAPSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccc([C@H](O)CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333854 896577088 /nfs/dbraw/zinc/57/70/88/896577088.db2.gz RGUJTVJFPVVIPI-BJKOFHAPSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccc([C@H](O)C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333854 896577096 /nfs/dbraw/zinc/57/70/96/896577096.db2.gz RGUJTVJFPVVIPI-BJKOFHAPSA-N 1 3 394.559 3.547 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)c(C(C)=O)c(C)c3)CC2)CC1 ZINC000882178277 896691362 /nfs/dbraw/zinc/69/13/62/896691362.db2.gz PGGQIMHOLYOECL-UHFFFAOYSA-N 1 3 385.552 3.641 20 0 GHADHO O=C(CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)NCc1ccccc1 ZINC000820808781 897536450 /nfs/dbraw/zinc/53/64/50/897536450.db2.gz NGMVFLOQXYVTSQ-CWAQXLGLSA-N 1 3 391.559 3.868 20 0 GHADHO O=C(CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccccc1 ZINC000820808781 897536458 /nfs/dbraw/zinc/53/64/58/897536458.db2.gz NGMVFLOQXYVTSQ-CWAQXLGLSA-N 1 3 391.559 3.868 20 0 GHADHO C[C@@H]1C[NH+](CCCCNCc2c(F)cccc2OC(F)(F)F)C[C@@H](C)O1 ZINC000568125483 897615156 /nfs/dbraw/zinc/61/51/56/897615156.db2.gz CEOPRXDMFAKHKU-ZIAGYGMSSA-N 1 3 378.410 3.703 20 0 GHADHO CC1(C)Cc2occc2[C@@H](NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000569088522 898334800 /nfs/dbraw/zinc/33/48/00/898334800.db2.gz QNYRXHNJNOJQJJ-NRFANRHFSA-N 1 3 395.547 3.780 20 0 GHADHO COc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1OC ZINC000569172580 898388178 /nfs/dbraw/zinc/38/81/78/898388178.db2.gz XBVZREIFWHQVKE-HDICACEKSA-N 1 3 390.568 3.724 20 0 GHADHO COc1cc(CNCc2cccc(C[NH+](C)C)c2)cc(OC)c1OCC(F)F ZINC000289613438 914264930 /nfs/dbraw/zinc/26/49/30/914264930.db2.gz FFRPVDNPCFNBEK-UHFFFAOYSA-N 1 3 394.462 3.699 20 0 GHADHO c1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210994 899196719 /nfs/dbraw/zinc/19/67/19/899196719.db2.gz QEMWIYDROMRXRZ-PKTZIBPZSA-N 1 3 376.548 3.636 20 0 GHADHO c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210994 899196726 /nfs/dbraw/zinc/19/67/26/899196726.db2.gz QEMWIYDROMRXRZ-PKTZIBPZSA-N 1 3 376.548 3.636 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC000570543022 899373606 /nfs/dbraw/zinc/37/36/06/899373606.db2.gz UXGQYGDDCQMPGU-CVDCTZTESA-N 1 3 379.548 3.921 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(-c4nccs4)c3)CC2)CC1 ZINC000570736242 899546074 /nfs/dbraw/zinc/54/60/74/899546074.db2.gz AWGAPBFRIQDJKS-UHFFFAOYSA-N 1 3 398.576 3.945 20 0 GHADHO FC(F)(F)c1cnc(CN2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)[nH]1 ZINC001137013100 900067405 /nfs/dbraw/zinc/06/74/05/900067405.db2.gz DERBKSXVNCPGEQ-UHFFFAOYSA-N 1 3 384.471 3.978 20 0 GHADHO FC(F)(F)c1cnc(CN2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)[nH]1 ZINC001137013100 900067419 /nfs/dbraw/zinc/06/74/19/900067419.db2.gz DERBKSXVNCPGEQ-UHFFFAOYSA-N 1 3 384.471 3.978 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccco3)C3CCCC3)CC2)CC1 ZINC000572615203 900233968 /nfs/dbraw/zinc/23/39/68/900233968.db2.gz UHCISDRNUKMIKH-UHFFFAOYSA-N 1 3 387.568 3.747 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000574034051 900753389 /nfs/dbraw/zinc/75/33/89/900753389.db2.gz XDEOYTAVSXWJDW-JQVVWYNYSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000574034051 900753397 /nfs/dbraw/zinc/75/33/97/900753397.db2.gz XDEOYTAVSXWJDW-JQVVWYNYSA-N 1 3 388.577 3.777 20 0 GHADHO CCCCN1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000574033071 900753640 /nfs/dbraw/zinc/75/36/40/900753640.db2.gz FQFJXSNFSCUNPA-UHFFFAOYSA-N 1 3 382.346 3.632 20 0 GHADHO CCCC[NH+]1CCC(NCCC(=O)Nc2cccc(Br)c2)CC1 ZINC000574033071 900753648 /nfs/dbraw/zinc/75/36/48/900753648.db2.gz FQFJXSNFSCUNPA-UHFFFAOYSA-N 1 3 382.346 3.632 20 0 GHADHO CCN1CCN(Cc2ccc(Nc3cccc(OCC[NH+](C)C)c3)cc2)CC1 ZINC001212807055 900768767 /nfs/dbraw/zinc/76/87/67/900768767.db2.gz IKMWFTDIWZMXPL-UHFFFAOYSA-N 1 3 382.552 3.508 20 0 GHADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)COC(c1ccccc1)c1ccccc1 ZINC000574686261 900971530 /nfs/dbraw/zinc/97/15/30/900971530.db2.gz LREYXSKCSBSILJ-VHYCJAOWSA-N 1 3 394.559 3.760 20 0 GHADHO COc1ccc(-c2ncc(CN(C)CC3CC[NH+](C)CC3)s2)cc1OC ZINC001144064457 901009098 /nfs/dbraw/zinc/00/90/98/901009098.db2.gz FQBLNIGYJQKGCT-UHFFFAOYSA-N 1 3 375.538 3.601 20 0 GHADHO C[C@H](CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000576651427 902161274 /nfs/dbraw/zinc/16/12/74/902161274.db2.gz KYQIQWQKCBJFGP-VQIMIIECSA-N 1 3 380.964 3.506 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C(C)(C)C)CC3)CC2)CC1 ZINC000577089541 902494806 /nfs/dbraw/zinc/49/48/06/902494806.db2.gz XGOQCNOWJYRIGP-FQEVSTJZSA-N 1 3 377.617 3.858 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCCc3ccccc3)CC2)CC1 ZINC000577409344 902749475 /nfs/dbraw/zinc/74/94/75/902749475.db2.gz VFIKLDCJLANNOG-UHFFFAOYSA-N 1 3 385.596 3.712 20 0 GHADHO C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000600854633 903008315 /nfs/dbraw/zinc/00/83/15/903008315.db2.gz OPZYTMKJPKZRLO-NJYVYQBISA-N 1 3 388.600 3.564 20 0 GHADHO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CCCN(C)CC[NH+](C)C ZINC000577655726 903009713 /nfs/dbraw/zinc/00/97/13/903009713.db2.gz WITAYYZWPMPAPI-MRXNPFEDSA-N 1 3 378.948 3.871 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000577741974 903147405 /nfs/dbraw/zinc/14/74/05/903147405.db2.gz PDLFQDBHECQOLP-ZINXYGQCSA-N 1 3 397.950 3.595 20 0 GHADHO Cc1cccc2c1CC[C@@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C1)C2 ZINC001171570771 904838451 /nfs/dbraw/zinc/83/84/51/904838451.db2.gz IJOUKRQYMVDEQA-AHCIIZGASA-N 1 3 392.591 3.922 20 0 GHADHO Cc1cccc2c1CC[C@@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C1)C2 ZINC001171570771 904838462 /nfs/dbraw/zinc/83/84/62/904838462.db2.gz IJOUKRQYMVDEQA-AHCIIZGASA-N 1 3 392.591 3.922 20 0 GHADHO Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)C)C1)C2 ZINC001171570771 904838475 /nfs/dbraw/zinc/83/84/75/904838475.db2.gz IJOUKRQYMVDEQA-AHCIIZGASA-N 1 3 392.591 3.922 20 0 GHADHO Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)C)C1)C2 ZINC001171570771 904838489 /nfs/dbraw/zinc/83/84/89/904838489.db2.gz IJOUKRQYMVDEQA-AHCIIZGASA-N 1 3 392.591 3.922 20 0 GHADHO CN1C(C)(C)CC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2F)CC1(C)C ZINC001171621034 904887122 /nfs/dbraw/zinc/88/71/22/904887122.db2.gz GMSHMYWEBDYJCF-DOTOQJQBSA-N 1 3 385.568 3.823 20 0 GHADHO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@H]12 ZINC001171638344 904928085 /nfs/dbraw/zinc/92/80/85/904928085.db2.gz UEZXLUPEUACHJI-DHLKQENFSA-N 1 3 397.607 3.902 20 0 GHADHO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@H]12 ZINC001171638344 904928089 /nfs/dbraw/zinc/92/80/89/904928089.db2.gz UEZXLUPEUACHJI-DHLKQENFSA-N 1 3 397.607 3.902 20 0 GHADHO C[NH+]1C(C)(C)CC(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1(C)C ZINC001171638118 904928368 /nfs/dbraw/zinc/92/83/68/904928368.db2.gz RVXDBDSVKNSSJT-WIYYLYMNSA-N 1 3 389.559 3.614 20 0 GHADHO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c(CN(C)C)c1 ZINC000646816018 914863092 /nfs/dbraw/zinc/86/30/92/914863092.db2.gz DOVWVQIPOJEYJW-NRFANRHFSA-N 1 3 379.548 3.950 20 0 GHADHO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c(CN(C)C)c1 ZINC000646816018 914863109 /nfs/dbraw/zinc/86/31/09/914863109.db2.gz DOVWVQIPOJEYJW-NRFANRHFSA-N 1 3 379.548 3.950 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001171881274 905153238 /nfs/dbraw/zinc/15/32/38/905153238.db2.gz WLPPVHNPPBQYKM-JOCHJYFZSA-N 1 3 383.580 3.926 20 0 GHADHO CC1(C)C[C@H]([NH2+][C@H]2CCc3ccccc3NC2=O)CCN1Cc1ccccc1 ZINC001171983204 905237623 /nfs/dbraw/zinc/23/76/23/905237623.db2.gz NMNOTQLQUSGSHH-IRLDBZIGSA-N 1 3 377.532 3.973 20 0 GHADHO CC1(C)C[C@@H]([NH2+][C@H]2CCc3ccccc3NC2=O)CCN1Cc1ccccc1 ZINC001171983215 905239246 /nfs/dbraw/zinc/23/92/46/905239246.db2.gz NMNOTQLQUSGSHH-UNMCSNQZSA-N 1 3 377.532 3.973 20 0 GHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171988162 905251541 /nfs/dbraw/zinc/25/15/41/905251541.db2.gz BQPJBCCEAQRFSR-IEBWSBKVSA-N 1 3 380.374 3.880 20 0 GHADHO O=c1ccc2c([nH]1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001172076957 905286239 /nfs/dbraw/zinc/28/62/39/905286239.db2.gz BXZIIYNCCMZROL-KOUNCHBCSA-N 1 3 377.532 3.774 20 0 GHADHO O=c1ccc2c([nH]1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172076957 905286244 /nfs/dbraw/zinc/28/62/44/905286244.db2.gz BXZIIYNCCMZROL-KOUNCHBCSA-N 1 3 377.532 3.774 20 0 GHADHO c1cnn(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cn2)c1 ZINC001172076598 905288021 /nfs/dbraw/zinc/28/80/21/905288021.db2.gz JMLWSNFZMFONFT-WBDAEOGXSA-N 1 3 387.531 3.943 20 0 GHADHO CC(C)(C)OC(=O)N1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172061365 905323260 /nfs/dbraw/zinc/32/32/60/905323260.db2.gz GQZLMRVRPKIVIB-NUZGMZIFSA-N 1 3 385.552 3.781 20 0 GHADHO COc1cccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172063284 905328082 /nfs/dbraw/zinc/32/80/82/905328082.db2.gz BPLIBSXPBYNSPH-YCSHWKNNSA-N 1 3 380.532 3.904 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC001172067527 905333058 /nfs/dbraw/zinc/33/30/58/905333058.db2.gz GEGSFVFJVYZUFA-CWBXHPNXSA-N 1 3 391.563 3.621 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC001172067527 905333076 /nfs/dbraw/zinc/33/30/76/905333076.db2.gz GEGSFVFJVYZUFA-CWBXHPNXSA-N 1 3 391.563 3.621 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]CC[C@H]2CCCN2C)CC1 ZINC001172211271 905411668 /nfs/dbraw/zinc/41/16/68/905411668.db2.gz SOEGRMVANCJYRJ-OBXNSHGQSA-N 1 3 378.944 3.767 20 0 GHADHO CC(C)COCC[C@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172469085 905551210 /nfs/dbraw/zinc/55/12/10/905551210.db2.gz ZNSUPTWOEKDEBB-TUACAJSNSA-N 1 3 392.628 3.898 20 0 GHADHO CC(C)COCC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172469085 905551225 /nfs/dbraw/zinc/55/12/25/905551225.db2.gz ZNSUPTWOEKDEBB-TUACAJSNSA-N 1 3 392.628 3.898 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H](NC2CC([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172603868 905663840 /nfs/dbraw/zinc/66/38/40/905663840.db2.gz JLWZHTCFYORVNK-FLAMNCDFSA-N 1 3 377.504 3.654 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C2CC(N)C2)CCN1C(=O)OC(C)(C)C ZINC001172603868 905663849 /nfs/dbraw/zinc/66/38/49/905663849.db2.gz JLWZHTCFYORVNK-FLAMNCDFSA-N 1 3 377.504 3.654 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CCc3ncsc3C1)CC2 ZINC001173133773 906214604 /nfs/dbraw/zinc/21/46/04/906214604.db2.gz FCRAEAHBUOCBKZ-PMACEKPBSA-N 1 3 397.588 3.756 20 0 GHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCN(C(=O)c4ccccc4)CC3)CC2)C1 ZINC000177855200 906229906 /nfs/dbraw/zinc/22/99/06/906229906.db2.gz AJHQKVFXUONQAV-XXBNENTESA-N 1 3 383.580 3.924 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000178253338 906316438 /nfs/dbraw/zinc/31/64/38/906316438.db2.gz GGPBSKINILBWCG-MRXNPFEDSA-N 1 3 377.960 3.541 20 0 GHADHO Cc1c[nH+]ccc1N1CCN(C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001173683446 906623823 /nfs/dbraw/zinc/62/38/23/906623823.db2.gz FBXAOIALJJZJHZ-QZTJIDSGSA-N 1 3 388.556 3.689 20 0 GHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1C(F)(F)F ZINC000180996277 906893353 /nfs/dbraw/zinc/89/33/53/906893353.db2.gz NMSBXAKKWIACMX-HNNXBMFYSA-N 1 3 393.453 3.848 20 0 GHADHO C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630592 907042964 /nfs/dbraw/zinc/04/29/64/907042964.db2.gz YDTHIMZMYOIGTH-IAGOWNOFSA-N 1 3 383.536 3.877 20 0 GHADHO C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630592 907042977 /nfs/dbraw/zinc/04/29/77/907042977.db2.gz YDTHIMZMYOIGTH-IAGOWNOFSA-N 1 3 383.536 3.877 20 0 GHADHO COc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC(=O)C1CC1 ZINC000192922868 908016502 /nfs/dbraw/zinc/01/65/02/908016502.db2.gz PIXINGPNYFTLJA-HXUWFJFHSA-N 1 3 394.515 3.622 20 0 GHADHO CN(C)C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1cccc(C(F)(F)F)c1 ZINC000632952155 908166473 /nfs/dbraw/zinc/16/64/73/908166473.db2.gz XJPDSZMWNLRHTD-KRWDZBQOSA-N 1 3 380.414 3.589 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000189955441 908391837 /nfs/dbraw/zinc/39/18/37/908391837.db2.gz IWHVNRCDBNSPNZ-LIMIJEPZSA-N 1 3 379.548 3.635 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001178412112 909048113 /nfs/dbraw/zinc/04/81/13/909048113.db2.gz BRXAMGGDPVRNFT-AZUAARDMSA-N 1 3 379.589 3.924 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001178728645 909222421 /nfs/dbraw/zinc/22/24/21/909222421.db2.gz KHDMXCPLSKVVBA-HUVFLSCGSA-N 1 3 391.559 3.708 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001178728645 909222435 /nfs/dbraw/zinc/22/24/35/909222435.db2.gz KHDMXCPLSKVVBA-HUVFLSCGSA-N 1 3 391.559 3.708 20 0 GHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000245667528 909816111 /nfs/dbraw/zinc/81/61/11/909816111.db2.gz BPZPNQIQGWZNSS-WTGUMLROSA-N 1 3 379.589 3.876 20 0 GHADHO Cn1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C2CCOCC2)n1 ZINC001180051775 909917929 /nfs/dbraw/zinc/91/79/29/909917929.db2.gz LBHQSQSIBDKECU-UHFFFAOYSA-N 1 3 396.579 3.658 20 0 GHADHO Cn1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C2CCOCC2)n1 ZINC001180051775 909917945 /nfs/dbraw/zinc/91/79/45/909917945.db2.gz LBHQSQSIBDKECU-UHFFFAOYSA-N 1 3 396.579 3.658 20 0 GHADHO CCCNC(=O)c1cccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000268756585 910000366 /nfs/dbraw/zinc/00/03/66/910000366.db2.gz FJVVPHMRXQOEOU-GOSISDBHSA-N 1 3 383.536 3.618 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(CN3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268779185 910012151 /nfs/dbraw/zinc/01/21/51/910012151.db2.gz HXKYMNSDVKLBSE-YKSBVNFPSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(CN3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268779185 910012161 /nfs/dbraw/zinc/01/21/61/910012161.db2.gz HXKYMNSDVKLBSE-YKSBVNFPSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000268822918 910033991 /nfs/dbraw/zinc/03/39/91/910033991.db2.gz YDCIEHIAXYDFOJ-RDPSFJRHSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000268822918 910034008 /nfs/dbraw/zinc/03/40/08/910034008.db2.gz YDCIEHIAXYDFOJ-RDPSFJRHSA-N 1 3 391.559 3.809 20 0 GHADHO CC(C)(C)[C@@]1(CN2CCN(C3CCOCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000638109049 910054973 /nfs/dbraw/zinc/05/49/73/910054973.db2.gz RBZQYASMPURZHB-RUZDIDTESA-N 1 3 399.623 3.721 20 0 GHADHO CC(C)(C)[C@@]1(CN2CCN(C3CCOCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638109049 910054984 /nfs/dbraw/zinc/05/49/84/910054984.db2.gz RBZQYASMPURZHB-RUZDIDTESA-N 1 3 399.623 3.721 20 0 GHADHO CS(=O)(=O)Nc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638374999 910135495 /nfs/dbraw/zinc/13/54/95/910135495.db2.gz UJOCMJXOJYLOOE-RBBKRZOGSA-N 1 3 399.560 3.516 20 0 GHADHO CS(=O)(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638374999 910135504 /nfs/dbraw/zinc/13/55/04/910135504.db2.gz UJOCMJXOJYLOOE-RBBKRZOGSA-N 1 3 399.560 3.516 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000638380249 910137235 /nfs/dbraw/zinc/13/72/35/910137235.db2.gz AAFYJMQTBCHSEC-AYOQOUSVSA-N 1 3 380.374 3.516 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001181471390 910782883 /nfs/dbraw/zinc/78/28/83/910782883.db2.gz FJPGHPMUGDRXBK-NSISKUIASA-N 1 3 394.401 3.904 20 0 GHADHO CC(=O)Nc1cccc([C@H](C)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000284357607 911838984 /nfs/dbraw/zinc/83/89/84/911838984.db2.gz MVNLNTMNPKNHCJ-KRWDZBQOSA-N 1 3 381.520 3.969 20 0 GHADHO CC(C)(C)[C@@]1(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)CCN(Cc2ccccc2)C1 ZINC001182533285 911858099 /nfs/dbraw/zinc/85/80/99/911858099.db2.gz MTNYXCUIMMXAHK-RPWUZVMVSA-N 1 3 388.596 3.692 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248393790 912042879 /nfs/dbraw/zinc/04/28/79/912042879.db2.gz FCMGJVFOHISQBP-GNLZIIPMSA-N 1 3 380.532 3.619 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248393790 912042898 /nfs/dbraw/zinc/04/28/98/912042898.db2.gz FCMGJVFOHISQBP-GNLZIIPMSA-N 1 3 380.532 3.619 20 0 GHADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977808 915459784 /nfs/dbraw/zinc/45/97/84/915459784.db2.gz HWJOXEKZFQDJKL-RLLQIKCJSA-N 1 3 383.536 3.664 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1CN1CCCCC1 ZINC000775379427 917308210 /nfs/dbraw/zinc/30/82/10/917308210.db2.gz CXMBVZFBJIWGSD-QFBILLFUSA-N 1 3 399.501 3.968 20 0 GHADHO FC(F)(F)C(F)(F)OCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716659105 917572014 /nfs/dbraw/zinc/57/20/14/917572014.db2.gz ZDCYNIMUGGPGEM-XHSDSOJGSA-N 1 3 378.385 3.801 20 0 GHADHO FC(F)(F)C(F)(F)OCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716659105 917572019 /nfs/dbraw/zinc/57/20/19/917572019.db2.gz ZDCYNIMUGGPGEM-XHSDSOJGSA-N 1 3 378.385 3.801 20 0 GHADHO FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716659105 917572036 /nfs/dbraw/zinc/57/20/36/917572036.db2.gz ZDCYNIMUGGPGEM-XHSDSOJGSA-N 1 3 378.385 3.801 20 0 GHADHO CC(=O)OCc1cccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000903147516 922808608 /nfs/dbraw/zinc/80/86/08/922808608.db2.gz JZASHIFMAGKIEQ-MHECFPHRSA-N 1 3 396.531 3.557 20 0 GHADHO CC(=O)OCc1cccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000903147516 922808622 /nfs/dbraw/zinc/80/86/22/922808622.db2.gz JZASHIFMAGKIEQ-MHECFPHRSA-N 1 3 396.531 3.557 20 0 GHADHO FC(F)(F)c1csc([C@@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755541 923258166 /nfs/dbraw/zinc/25/81/66/923258166.db2.gz IVUUDMUKVBLDKF-KGLIPLIRSA-N 1 3 389.487 3.500 20 0 GHADHO Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCCN(Cc4ccccc4)C3)c(C)n2n1 ZINC000678542053 924817862 /nfs/dbraw/zinc/81/78/62/924817862.db2.gz MNMZAOMQEQGMMA-WIYYLYMNSA-N 1 3 377.536 3.909 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3[nH]nc4ccccc43)C[C@@H]21 ZINC001137348553 924903864 /nfs/dbraw/zinc/90/38/64/924903864.db2.gz BQQTWDLUWINHII-DHJUGAMNSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3[nH]nc4ccccc43)C[C@@H]21 ZINC001137348553 924903875 /nfs/dbraw/zinc/90/38/75/924903875.db2.gz BQQTWDLUWINHII-DHJUGAMNSA-N 1 3 375.520 3.690 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000679290818 925087814 /nfs/dbraw/zinc/08/78/14/925087814.db2.gz PJPUILWYYTYDBH-PGRDOPGGSA-N 1 3 377.532 3.579 20 0 GHADHO C[NH+]1CCC(N2CC[C@H](NC(c3ccc(F)cc3)c3ccc(F)cc3)C2)CC1 ZINC000679341575 925101377 /nfs/dbraw/zinc/10/13/77/925101377.db2.gz SQMBISWXMKKQEP-NRFANRHFSA-N 1 3 385.502 3.812 20 0 GHADHO Cc1occc1C(=O)NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411214280 926209472 /nfs/dbraw/zinc/20/94/72/926209472.db2.gz FCWJTYLFQWNBMF-UHFFFAOYSA-N 1 3 395.547 3.968 20 0 GHADHO C[NH+](C)CCOc1cccc(CNC(=O)c2cccc(CN3CCCCC3)c2)c1 ZINC000411486169 926438009 /nfs/dbraw/zinc/43/80/09/926438009.db2.gz SAXHHHKGSJPERX-UHFFFAOYSA-N 1 3 395.547 3.543 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3ccccc3Oc3cccnc3)CC2)CC1 ZINC000544488810 929227711 /nfs/dbraw/zinc/22/77/11/929227711.db2.gz TVNPMGAWKDSWGK-UHFFFAOYSA-N 1 3 394.563 3.723 20 0 GHADHO C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CN1Cc1ccccc1 ZINC000467689361 929305046 /nfs/dbraw/zinc/30/50/46/929305046.db2.gz TWAGICHAQFHWII-CVDCTZTESA-N 1 3 377.532 3.675 20 0 GHADHO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000753547764 929406288 /nfs/dbraw/zinc/40/62/88/929406288.db2.gz VRLSSJIQAQIKAP-OXQOHEQNSA-N 1 3 399.539 3.701 20 0 GHADHO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469761510 930143192 /nfs/dbraw/zinc/14/31/92/930143192.db2.gz BELQTWOGGOUUOU-QDMVCWPOSA-N 1 3 393.575 3.952 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000557669711 931603235 /nfs/dbraw/zinc/60/32/35/931603235.db2.gz LCKFMDIUXONRHR-HSZRJFAPSA-N 1 3 399.623 3.814 20 0 GHADHO COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000784318858 931853762 /nfs/dbraw/zinc/85/37/62/931853762.db2.gz ANPRFRMSNCNCBX-QPTUXGOLSA-N 1 3 380.532 3.683 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000926118895 932055225 /nfs/dbraw/zinc/05/52/25/932055225.db2.gz DDJIUDJUAZBMPR-INDMIFKZSA-N 1 3 379.589 3.922 20 0 GHADHO CN1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000559849957 932910342 /nfs/dbraw/zinc/91/03/42/932910342.db2.gz XIFWWECGHRBEEW-PKTZIBPZSA-N 1 3 377.532 3.848 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561060505 933827955 /nfs/dbraw/zinc/82/79/55/933827955.db2.gz LVMIOJGWVVOPON-PMACEKPBSA-N 1 3 383.561 3.523 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561060505 933827957 /nfs/dbraw/zinc/82/79/57/933827957.db2.gz LVMIOJGWVVOPON-PMACEKPBSA-N 1 3 383.561 3.523 20 0 GHADHO COc1cc(CNC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)ccc1F ZINC001117794922 934028265 /nfs/dbraw/zinc/02/82/65/934028265.db2.gz ROCADRRTRMPBJL-UHFFFAOYSA-N 1 3 385.483 3.547 20 0 GHADHO COC[C@]1(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)OCCc2ccccc21 ZINC000562092163 934691256 /nfs/dbraw/zinc/69/12/56/934691256.db2.gz SAHWEQUCCZRUEZ-PBXXJUDPSA-N 1 3 394.559 3.744 20 0 GHADHO COC[C@]1(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)OCCc2ccccc21 ZINC000562092163 934691261 /nfs/dbraw/zinc/69/12/61/934691261.db2.gz SAHWEQUCCZRUEZ-PBXXJUDPSA-N 1 3 394.559 3.744 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)NCCCC[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001220704154 1032073052 /nfs/dbraw/zinc/07/30/52/1032073052.db2.gz IKRXXZYCBJGUPL-IRLDBZIGSA-N 1 3 386.584 3.523 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001220704154 1032073060 /nfs/dbraw/zinc/07/30/60/1032073060.db2.gz IKRXXZYCBJGUPL-IRLDBZIGSA-N 1 3 386.584 3.523 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC001220883023 1032173594 /nfs/dbraw/zinc/17/35/94/1032173594.db2.gz GHOPOEPBOBTYOT-XXBNENTESA-N 1 3 398.595 3.735 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC001220883023 1032173604 /nfs/dbraw/zinc/17/36/04/1032173604.db2.gz GHOPOEPBOBTYOT-XXBNENTESA-N 1 3 398.595 3.735 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)CC1 ZINC001227862743 1032652577 /nfs/dbraw/zinc/65/25/77/1032652577.db2.gz IIYKZLCCBUUJLU-HXUWFJFHSA-N 1 3 398.595 3.544 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000558881819 1017308437 /nfs/dbraw/zinc/30/84/37/1017308437.db2.gz ZJLZWCQDCLTDNA-UXHICEINSA-N 1 3 388.943 3.545 20 0 GHADHO CCCC[N@H+](C)CC1CCN([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048993 1017347453 /nfs/dbraw/zinc/34/74/53/1017347453.db2.gz AYJCALXZKRZYFS-XMSQKQJNSA-N 1 3 389.559 3.932 20 0 GHADHO CCCC[N@@H+](C)CC1CCN([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048993 1017347458 /nfs/dbraw/zinc/34/74/58/1017347458.db2.gz AYJCALXZKRZYFS-XMSQKQJNSA-N 1 3 389.559 3.932 20 0 GHADHO COc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1OCCO ZINC000559741122 1017494649 /nfs/dbraw/zinc/49/46/49/1017494649.db2.gz ZEAUNLISNRXCCS-DZFGPLHGSA-N 1 3 384.520 3.552 20 0 GHADHO COc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1OCCO ZINC000559741122 1017494657 /nfs/dbraw/zinc/49/46/57/1017494657.db2.gz ZEAUNLISNRXCCS-DZFGPLHGSA-N 1 3 384.520 3.552 20 0 GHADHO C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC001227962095 1032715809 /nfs/dbraw/zinc/71/58/09/1032715809.db2.gz KZPAEXKVTVPRKT-SIKLNZKXSA-N 1 3 386.584 3.585 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581030 1019238202 /nfs/dbraw/zinc/23/82/02/1019238202.db2.gz HAWWDBVIFIYVHI-CEWLAPEOSA-N 1 3 383.536 3.737 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581030 1019238207 /nfs/dbraw/zinc/23/82/07/1019238207.db2.gz HAWWDBVIFIYVHI-CEWLAPEOSA-N 1 3 383.536 3.737 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccccc3F)C2)s1 ZINC000567994361 1019365104 /nfs/dbraw/zinc/36/51/04/1019365104.db2.gz KPTBXYLZAWCQRG-QGZVFWFLSA-N 1 3 389.540 3.978 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccccc3F)C2)s1 ZINC000567994361 1019365129 /nfs/dbraw/zinc/36/51/29/1019365129.db2.gz KPTBXYLZAWCQRG-QGZVFWFLSA-N 1 3 389.540 3.978 20 0 GHADHO OC[C@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000578102302 1020327725 /nfs/dbraw/zinc/32/77/25/1020327725.db2.gz CBWDPWPSZNXPRN-QERLCLQCSA-N 1 3 376.544 3.938 20 0 GHADHO OC[C@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000578102302 1020327730 /nfs/dbraw/zinc/32/77/30/1020327730.db2.gz CBWDPWPSZNXPRN-QERLCLQCSA-N 1 3 376.544 3.938 20 0 GHADHO CCCC[N@H+](C)CC1CCN(Cc2ccccc2O[C@@H](C)C(=O)OC)CC1 ZINC001204651498 1033013799 /nfs/dbraw/zinc/01/37/99/1033013799.db2.gz OVSZIYQAUZYTHS-SFHVURJKSA-N 1 3 376.541 3.571 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccccc2O[C@@H](C)C(=O)OC)CC1 ZINC001204651498 1033013809 /nfs/dbraw/zinc/01/38/09/1033013809.db2.gz OVSZIYQAUZYTHS-SFHVURJKSA-N 1 3 376.541 3.571 20 0 GHADHO COC(=O)Cc1ccccc1C[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001140653727 1022168757 /nfs/dbraw/zinc/16/87/57/1022168757.db2.gz AOAPODKAYRLZBU-VWLOTQADSA-N 1 3 392.543 3.890 20 0 GHADHO COC(=O)Cc1ccccc1C[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001140653727 1022168759 /nfs/dbraw/zinc/16/87/59/1022168759.db2.gz AOAPODKAYRLZBU-VWLOTQADSA-N 1 3 392.543 3.890 20 0 GHADHO Cc1c(I)cccc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001204749068 1033062608 /nfs/dbraw/zinc/06/26/08/1033062608.db2.gz WSTRNCIOKUZMSF-UHFFFAOYSA-N 1 3 384.305 3.565 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2c(N)cccc2F)CC3)c1 ZINC001140874504 1022763337 /nfs/dbraw/zinc/76/33/37/1022763337.db2.gz XZYJJYOUNZWORP-UHFFFAOYSA-N 1 3 383.511 3.905 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2c(N)cccc2F)CC3)c1 ZINC001140874504 1022763351 /nfs/dbraw/zinc/76/33/51/1022763351.db2.gz XZYJJYOUNZWORP-UHFFFAOYSA-N 1 3 383.511 3.905 20 0 GHADHO C[C@H](CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001138145266 1024228561 /nfs/dbraw/zinc/22/85/61/1024228561.db2.gz SKHZHZPMRQYLCN-DNVCBOLYSA-N 1 3 381.511 3.584 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138578569 1025058284 /nfs/dbraw/zinc/05/82/84/1025058284.db2.gz HDCOYZJHDBTJNG-OAQYLSRUSA-N 1 3 396.579 3.963 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138578569 1025058294 /nfs/dbraw/zinc/05/82/94/1025058294.db2.gz HDCOYZJHDBTJNG-OAQYLSRUSA-N 1 3 396.579 3.963 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)cc2)CC1 ZINC001141454967 1025101588 /nfs/dbraw/zinc/10/15/88/1025101588.db2.gz XFQWNSXJLQGJJS-HSZRJFAPSA-N 1 3 389.559 3.747 20 0 GHADHO Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138882466 1025520118 /nfs/dbraw/zinc/52/01/18/1025520118.db2.gz BMRLHLXVNAUKOK-SFTDATJTSA-N 1 3 376.479 3.780 20 0 GHADHO CN(C)Cc1ccnc(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)c1 ZINC001162054947 1025569908 /nfs/dbraw/zinc/56/99/08/1025569908.db2.gz SNHXJLPTNQFYQL-UHFFFAOYSA-N 1 3 392.469 3.939 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000839181030 1025691197 /nfs/dbraw/zinc/69/11/97/1025691197.db2.gz GJSZTORXNULMTD-INIZCTEOSA-N 1 3 378.923 3.854 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000839181030 1025691205 /nfs/dbraw/zinc/69/12/05/1025691205.db2.gz GJSZTORXNULMTD-INIZCTEOSA-N 1 3 378.923 3.854 20 0 GHADHO CCN(CC)CCNC(=[NH2+])Nc1ncc(OCc2ccccc2)cc1Cl ZINC001163128568 1026058745 /nfs/dbraw/zinc/05/87/45/1026058745.db2.gz LJIVLIXWYKFDDP-UHFFFAOYSA-N 1 3 375.904 3.592 20 0 GHADHO COCCN(C)[C@@H](CNc1cc(-n2ccnc2)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385437 1026170633 /nfs/dbraw/zinc/17/06/33/1026170633.db2.gz VRDMXWCDVCVVLZ-IBGZPJMESA-N 1 3 385.899 3.652 20 0 GHADHO COc1ccc(CN(c2ncccc2CN2CCCC2)C2CCC([NH3+])CC2)cc1 ZINC001165197479 1026659698 /nfs/dbraw/zinc/65/96/98/1026659698.db2.gz RKWBISDRCQESAY-UHFFFAOYSA-N 1 3 394.563 3.963 20 0 GHADHO c1ccc(CN2CC(CNc3[nH+]c(N4CCOCC4)cc4ccccc43)C2)cc1 ZINC001165443236 1026729109 /nfs/dbraw/zinc/72/91/09/1026729109.db2.gz YOXHELRAUVJHSC-UHFFFAOYSA-N 1 3 388.515 3.615 20 0 GHADHO CN1CCN(c2ncccc2C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001461167912 1069423725 /nfs/dbraw/zinc/42/37/25/1069423725.db2.gz MDCZANJOUYZYFA-UHFFFAOYSA-N 1 3 398.860 3.795 20 0 GHADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccccc1F)CC2 ZINC001203347178 1027284361 /nfs/dbraw/zinc/28/43/61/1027284361.db2.gz AEOIHONDKGUCLO-NRFANRHFSA-N 1 3 390.543 3.555 20 0 GHADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccccc1F)CC2 ZINC001203347178 1027284373 /nfs/dbraw/zinc/28/43/73/1027284373.db2.gz AEOIHONDKGUCLO-NRFANRHFSA-N 1 3 390.543 3.555 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC001211311850 1027904821 /nfs/dbraw/zinc/90/48/21/1027904821.db2.gz JLBGJPYMZRTUEB-JQVVWYNYSA-N 1 3 388.600 3.519 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC001211311850 1027904826 /nfs/dbraw/zinc/90/48/26/1027904826.db2.gz JLBGJPYMZRTUEB-JQVVWYNYSA-N 1 3 388.600 3.519 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000841902246 1028994998 /nfs/dbraw/zinc/99/49/98/1028994998.db2.gz RCRPUZFUFOQGLR-CTWPCTMYSA-N 1 3 380.964 3.634 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC001461525456 1069590825 /nfs/dbraw/zinc/59/08/25/1069590825.db2.gz XJAVMFJYGAVBST-GGAORHGYSA-N 1 3 375.601 3.597 20 0 GHADHO COC(=O)Cc1ccc(C[NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)cc1 ZINC001142903161 1029662695 /nfs/dbraw/zinc/66/26/95/1029662695.db2.gz QPUYDHIRJOOXJU-QFIPXVFZSA-N 1 3 396.531 3.872 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364215 1029940419 /nfs/dbraw/zinc/94/04/19/1029940419.db2.gz RYJIZTAYAUHSEV-IBGZPJMESA-N 1 3 393.531 3.668 20 0 GHADHO C[C@H]1C[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426751 1029998396 /nfs/dbraw/zinc/99/83/96/1029998396.db2.gz JMGPZKIDISLMRB-KCLUMXDGSA-N 1 3 387.568 3.567 20 0 GHADHO C[C@H]1C[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426751 1029998401 /nfs/dbraw/zinc/99/84/01/1029998401.db2.gz JMGPZKIDISLMRB-KCLUMXDGSA-N 1 3 387.568 3.567 20 0 GHADHO C[NH+](C)Cc1ccc(-c2cnc(O[C@@H]3CCNC[C@@H]3F)c3cccc(O)c32)cc1 ZINC001218070383 1030756753 /nfs/dbraw/zinc/75/67/53/1030756753.db2.gz MFUPVAHWCAULIR-PZJWPPBQSA-N 1 3 395.478 3.748 20 0 GHADHO [NH3+]C1CCN(Cc2ccc(O[C@@H]3CCN(Cc4ccc(Cl)cc4)C3)cc2)CC1 ZINC001218411064 1030927660 /nfs/dbraw/zinc/92/76/60/1030927660.db2.gz XBRVNIOJRRFKPH-HSZRJFAPSA-N 1 3 399.966 3.916 20 0 GHADHO CC(C)(C[NH3+])c1ccc(NC(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)cc1 ZINC001218896024 1031136367 /nfs/dbraw/zinc/13/63/67/1031136367.db2.gz ZRVJBJGBIVDXOC-QGZVFWFLSA-N 1 3 379.426 3.970 20 0 GHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001224901157 1031168764 /nfs/dbraw/zinc/16/87/64/1031168764.db2.gz XJSJOVJPGMRNIO-YRMIQGFHSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001224901157 1031168778 /nfs/dbraw/zinc/16/87/78/1031168778.db2.gz XJSJOVJPGMRNIO-YRMIQGFHSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001153638969 1031684446 /nfs/dbraw/zinc/68/44/46/1031684446.db2.gz ZBLYVUDFUJHSBQ-DYESRHJHSA-N 1 3 376.504 3.541 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001153638969 1031684455 /nfs/dbraw/zinc/68/44/55/1031684455.db2.gz ZBLYVUDFUJHSBQ-DYESRHJHSA-N 1 3 376.504 3.541 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC001220634469 1032033516 /nfs/dbraw/zinc/03/35/16/1032033516.db2.gz WWGXZEGWZCXCLD-UGKGYDQZSA-N 1 3 388.600 3.519 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC001220634469 1032033534 /nfs/dbraw/zinc/03/35/34/1032033534.db2.gz WWGXZEGWZCXCLD-UGKGYDQZSA-N 1 3 388.600 3.519 20 0 GHADHO Cc1cc(C)c(/C=C\CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C)c1 ZINC001205710695 1033542669 /nfs/dbraw/zinc/54/26/69/1033542669.db2.gz KQLWFQGEIWNHGI-VURMDHGXSA-N 1 3 397.607 3.939 20 0 GHADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)cc(C)c1I ZINC001206036601 1033697249 /nfs/dbraw/zinc/69/72/49/1033697249.db2.gz LWBFGUKJMJFUEC-GDBMZVCRSA-N 1 3 386.321 3.715 20 0 GHADHO CCOc1cc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)ccc1OC(=O)C(C)C ZINC001206589555 1033918125 /nfs/dbraw/zinc/91/81/25/1033918125.db2.gz IAHVHOQFYBYSQH-IBGZPJMESA-N 1 3 376.541 3.999 20 0 GHADHO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)c2cc(Cl)nc3c2CCNC3)CC1 ZINC001158148905 1033937326 /nfs/dbraw/zinc/93/73/26/1033937326.db2.gz UXPGSOIQKHYXBM-WKILWMFISA-N 1 3 388.918 3.796 20 0 GHADHO CN(Cc1ccccc1)C1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207211997 1034178840 /nfs/dbraw/zinc/17/88/40/1034178840.db2.gz FEKQXHKLIHPBEA-FQEVSTJZSA-N 1 3 387.568 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207288896 1034239419 /nfs/dbraw/zinc/23/94/19/1034239419.db2.gz DUCOTGHOGGLYLJ-FGZHOGPDSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001207375976 1034319181 /nfs/dbraw/zinc/31/91/81/1034319181.db2.gz RTBCGBZYBKUZQZ-OAQYLSRUSA-N 1 3 399.579 3.984 20 0 GHADHO COc1cc(Cl)cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460823 1034605725 /nfs/dbraw/zinc/60/57/25/1034605725.db2.gz OVQQARZCVRDJEP-UHFFFAOYSA-N 1 3 384.911 3.653 20 0 GHADHO CC(C)Oc1ccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001231532403 1034685757 /nfs/dbraw/zinc/68/57/57/1034685757.db2.gz BWCYWWXKMNZLPY-UHFFFAOYSA-N 1 3 380.536 3.752 20 0 GHADHO CC(C)Oc1ccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001231532403 1034685763 /nfs/dbraw/zinc/68/57/63/1034685763.db2.gz BWCYWWXKMNZLPY-UHFFFAOYSA-N 1 3 380.536 3.752 20 0 GHADHO CCN1CCN(c2ccc(Nc3ccccc3OC3CC[NH2+]CC3)cc2)CC1 ZINC001159796168 1034745451 /nfs/dbraw/zinc/74/54/51/1034745451.db2.gz BZOINVFNQSMDGC-UHFFFAOYSA-N 1 3 380.536 3.703 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668480 1034824495 /nfs/dbraw/zinc/82/44/95/1034824495.db2.gz WMTNERMULIKVTO-JMUQELJHSA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668480 1034824510 /nfs/dbraw/zinc/82/45/10/1034824510.db2.gz WMTNERMULIKVTO-JMUQELJHSA-N 1 3 375.520 3.690 20 0 GHADHO [NH3+]C1CCN(c2c(F)cccc2NC2=CCN(Cc3ccccc3)CC2)CC1 ZINC001160108663 1034864946 /nfs/dbraw/zinc/86/49/46/1034864946.db2.gz PEAMCSRDJDUXHH-UHFFFAOYSA-N 1 3 380.511 3.955 20 0 GHADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(-c3ccncc3)cc2CN)nc1 ZINC001160339558 1034944707 /nfs/dbraw/zinc/94/47/07/1034944707.db2.gz OUTXVFDVUXGQRU-OAQYLSRUSA-N 1 3 376.508 3.725 20 0 GHADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(-c3ccncc3)cc2CN)nc1 ZINC001160339558 1034944714 /nfs/dbraw/zinc/94/47/14/1034944714.db2.gz OUTXVFDVUXGQRU-OAQYLSRUSA-N 1 3 376.508 3.725 20 0 GHADHO c1ccc(CCN2CCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208937601 1035105228 /nfs/dbraw/zinc/10/52/28/1035105228.db2.gz URTZHENJEAUGGM-RUZDIDTESA-N 1 3 377.576 3.759 20 0 GHADHO c1ccc(CCN2CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208937601 1035105230 /nfs/dbraw/zinc/10/52/30/1035105230.db2.gz URTZHENJEAUGGM-RUZDIDTESA-N 1 3 377.576 3.759 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H](CN3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208944571 1035115619 /nfs/dbraw/zinc/11/56/19/1035115619.db2.gz LCZCWISHPOYCIZ-TZRRMPRUSA-N 1 3 384.564 3.559 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H](CN3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208944571 1035115625 /nfs/dbraw/zinc/11/56/25/1035115625.db2.gz LCZCWISHPOYCIZ-TZRRMPRUSA-N 1 3 384.564 3.559 20 0 GHADHO Cc1cccc(N2C[C@@]3(CCN(Cc4cc(F)cc(C[NH+](C)C)c4)C3)CC2=O)c1 ZINC001232147478 1035125496 /nfs/dbraw/zinc/12/54/96/1035125496.db2.gz ANSNGHXUWYBEIP-DEOSSOPVSA-N 1 3 395.522 3.825 20 0 GHADHO Cc1ccc(N2C[C@]3(CCN(Cc4cc(F)cc(C[NH+](C)C)c4)C3)CC2=O)cc1 ZINC001232148247 1035126564 /nfs/dbraw/zinc/12/65/64/1035126564.db2.gz ZVXMLQXFXLQZSK-XMMPIXPASA-N 1 3 395.522 3.825 20 0 GHADHO CCOC(=O)[C@H]1C[N@H+](Cc2cc(F)cc(CN(C)C)c2)C[C@H]2CCCC[C@@H]12 ZINC001232149692 1035127925 /nfs/dbraw/zinc/12/79/25/1035127925.db2.gz XUAIEGHPVZUALS-NRSPTQNISA-N 1 3 376.516 3.689 20 0 GHADHO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(F)cc(CN(C)C)c2)C[C@H]2CCCC[C@@H]12 ZINC001232149692 1035127932 /nfs/dbraw/zinc/12/79/32/1035127932.db2.gz XUAIEGHPVZUALS-NRSPTQNISA-N 1 3 376.516 3.689 20 0 GHADHO CN(CCN(C)C(=O)C[C@H]([NH3+])c1cccc2ccccc21)Cc1ccccc1 ZINC001161160752 1035163354 /nfs/dbraw/zinc/16/33/54/1035163354.db2.gz FQFVUJVNSAVZDP-QHCPKHFHSA-N 1 3 375.516 3.820 20 0 GHADHO CC(C)(C)CN(C(=O)C[C@H](N)c1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001161262129 1035196650 /nfs/dbraw/zinc/19/66/50/1035196650.db2.gz UYFBJOJWQJGNLG-KRWDZBQOSA-N 1 3 385.474 3.722 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCCc1cccnc1)CC2 ZINC001209175182 1035200293 /nfs/dbraw/zinc/20/02/93/1035200293.db2.gz QNNYGBQOJKZPNC-HSZRJFAPSA-N 1 3 379.548 3.770 20 0 GHADHO COc1cccc([C@H](N)CC(=O)N(Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001161399549 1035223333 /nfs/dbraw/zinc/22/33/33/1035223333.db2.gz BCDYGQKIFOHOHZ-MQSCRBSSSA-N 1 3 395.547 3.692 20 0 GHADHO Cc1cc(N2CCN(CCCCCCNC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001209359945 1035253320 /nfs/dbraw/zinc/25/33/20/1035253320.db2.gz HDIUOBNFSDZRQB-UHFFFAOYSA-N 1 3 376.545 3.597 20 0 GHADHO Fc1cccc(N2CCOC[C@]3(CCC[N@H+](CCCN4CCCCC4)C3)C2)c1 ZINC001209450036 1035277074 /nfs/dbraw/zinc/27/70/74/1035277074.db2.gz HJOMKGJPYYZKKO-QHCPKHFHSA-N 1 3 389.559 3.621 20 0 GHADHO Fc1cccc(N2CCOC[C@]3(CCC[N@@H+](CCCN4CCCCC4)C3)C2)c1 ZINC001209450036 1035277079 /nfs/dbraw/zinc/27/70/79/1035277079.db2.gz HJOMKGJPYYZKKO-QHCPKHFHSA-N 1 3 389.559 3.621 20 0 GHADHO O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001209451984 1035277990 /nfs/dbraw/zinc/27/79/90/1035277990.db2.gz YUACEJANDMPEBP-OAQYLSRUSA-N 1 3 375.582 3.552 20 0 GHADHO O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001209451984 1035277994 /nfs/dbraw/zinc/27/79/94/1035277994.db2.gz YUACEJANDMPEBP-OAQYLSRUSA-N 1 3 375.582 3.552 20 0 GHADHO CN1CCN(c2cccc(-c3ccc(CO[C@@H]4CCCC[C@H]4[NH3+])cc3)c2)CC1 ZINC001243670456 1036247290 /nfs/dbraw/zinc/24/72/90/1036247290.db2.gz HFVMJHCHCSIBQU-DNQXCXABSA-N 1 3 379.548 3.892 20 0 GHADHO COc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1OCc1ccccc1 ZINC001244208278 1036429950 /nfs/dbraw/zinc/42/99/50/1036429950.db2.gz JOMPUUKFBYZBGN-UHFFFAOYSA-N 1 3 375.472 3.746 20 0 GHADHO C[C@@]1(C[NH3+])CCCCN(C[C@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001246018056 1037138762 /nfs/dbraw/zinc/13/87/62/1037138762.db2.gz ABZPNIDICCWYTI-SBUREZEXSA-N 1 3 381.520 3.512 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(NC[C@]2(F)CCCC[NH2+]C2)CC1 ZINC001246112718 1037199337 /nfs/dbraw/zinc/19/93/37/1037199337.db2.gz MHYOEXVLKAQFCG-CKHPTIKVSA-N 1 3 396.934 3.765 20 0 GHADHO Fc1ccccc1CN1CCC([NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246184284 1037226766 /nfs/dbraw/zinc/22/67/66/1037226766.db2.gz IZNQVNLIMLHMNJ-XZOQPEGZSA-N 1 3 381.539 3.743 20 0 GHADHO Fc1cccc(CN2CCC([NH2+][C@@H]3CCN[C@H](Cc4ccccc4)C3)CC2)c1F ZINC001246352221 1037310981 /nfs/dbraw/zinc/31/09/81/1037310981.db2.gz BEKHYECVXFMFOY-FGZHOGPDSA-N 1 3 399.529 3.882 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246362173 1037321865 /nfs/dbraw/zinc/32/18/65/1037321865.db2.gz NXLLDXZMOBLSOG-XPNTWCBSSA-N 1 3 385.502 3.930 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(F)cc3)CC2)CCN1 ZINC001246400743 1037358401 /nfs/dbraw/zinc/35/84/01/1037358401.db2.gz GLUVEYZXKJFEPK-XRXFAXGQSA-N 1 3 375.532 3.767 20 0 GHADHO CC[C@@H]1C[C@@H](N[C@@H]2CCCN(c3nc4ccccc4n3CC)C2)C[C@H](CC)[NH2+]1 ZINC001246408614 1037363410 /nfs/dbraw/zinc/36/34/10/1037363410.db2.gz VXFIPPRJLYDFSZ-IYWMVGAKSA-N 1 3 383.584 3.924 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H](NC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)C1 ZINC001246431025 1037391745 /nfs/dbraw/zinc/39/17/45/1037391745.db2.gz XRRVUKHRFGGEMH-IEBWSBKVSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246431025 1037391765 /nfs/dbraw/zinc/39/17/65/1037391765.db2.gz XRRVUKHRFGGEMH-IEBWSBKVSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@H]1CC[C@@H](NC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246435669 1037396911 /nfs/dbraw/zinc/39/69/11/1037396911.db2.gz JTZYCKWOAVRWMC-FUHWJXTLSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCNCC2)C1 ZINC001246435669 1037396930 /nfs/dbraw/zinc/39/69/30/1037396930.db2.gz JTZYCKWOAVRWMC-FUHWJXTLSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2(c3cccc(F)c3)CCNCC2)cc1 ZINC001246435696 1037398107 /nfs/dbraw/zinc/39/81/07/1037398107.db2.gz HKFNDRFGSQIYND-QGZVFWFLSA-N 1 3 384.495 3.802 20 0 GHADHO COC(=O)CCC[N@H+](Cc1ccccc1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246569790 1037483928 /nfs/dbraw/zinc/48/39/28/1037483928.db2.gz DPJIEGZUPMCHPR-PKTZIBPZSA-N 1 3 380.532 3.805 20 0 GHADHO COC(=O)CCC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246569790 1037483941 /nfs/dbraw/zinc/48/39/41/1037483941.db2.gz DPJIEGZUPMCHPR-PKTZIBPZSA-N 1 3 380.532 3.805 20 0 GHADHO c1ccc(COc2ccc3c(c2)C[C@@H]([NH+]2CCC4(CC2)CNCCO4)CC3)cc1 ZINC001246601544 1037499755 /nfs/dbraw/zinc/49/97/55/1037499755.db2.gz JLYDXUJLNNRKGS-QHCPKHFHSA-N 1 3 392.543 3.577 20 0 GHADHO Brc1ccc(N2CCC([N@@H+]3CCC[C@]34CCCNC4)CC2)cc1 ZINC001246611550 1037503558 /nfs/dbraw/zinc/50/35/58/1037503558.db2.gz UKVHULPNBSVUQO-IBGZPJMESA-N 1 3 378.358 3.636 20 0 GHADHO Brc1ccc(N2CCC([N@H+]3CCC[C@]34CCCNC4)CC2)cc1 ZINC001246611550 1037503573 /nfs/dbraw/zinc/50/35/73/1037503573.db2.gz UKVHULPNBSVUQO-IBGZPJMESA-N 1 3 378.358 3.636 20 0 GHADHO CCOC(=O)CC[C@H](C)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617825 1037506356 /nfs/dbraw/zinc/50/63/56/1037506356.db2.gz GWUWRWKVRWLAOV-PZJWPPBQSA-N 1 3 388.552 3.522 20 0 GHADHO CCOC(=O)CC[C@H](C)[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617825 1037506387 /nfs/dbraw/zinc/50/63/87/1037506387.db2.gz GWUWRWKVRWLAOV-PZJWPPBQSA-N 1 3 388.552 3.522 20 0 GHADHO CCOC(=O)CC[C@H](C)[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617825 1037506413 /nfs/dbraw/zinc/50/64/13/1037506413.db2.gz GWUWRWKVRWLAOV-PZJWPPBQSA-N 1 3 388.552 3.522 20 0 GHADHO COc1ccc2cc(CC[C@@H](C)N3CC[NH2+]C[C@]4(CCCCN4)C3)ccc2c1 ZINC001246621012 1037512873 /nfs/dbraw/zinc/51/28/73/1037512873.db2.gz ALPSRQZOCIFSTR-NTKDMRAZSA-N 1 3 381.564 3.587 20 0 GHADHO C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)CCN1 ZINC001246657219 1037530657 /nfs/dbraw/zinc/53/06/57/1037530657.db2.gz GOIQOHXTOOLLSE-NRSPTQNISA-N 1 3 395.591 3.564 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)CC[NH2+]1 ZINC001246657219 1037530672 /nfs/dbraw/zinc/53/06/72/1037530672.db2.gz GOIQOHXTOOLLSE-NRSPTQNISA-N 1 3 395.591 3.564 20 0 GHADHO COC(=O)[C@@H]1CCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677254 1037542968 /nfs/dbraw/zinc/54/29/68/1037542968.db2.gz MGYDGQOMPLKOJY-AFXVXQJMSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677254 1037542983 /nfs/dbraw/zinc/54/29/83/1037542983.db2.gz MGYDGQOMPLKOJY-AFXVXQJMSA-N 1 3 378.516 3.586 20 0 GHADHO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677254 1037542999 /nfs/dbraw/zinc/54/29/99/1037542999.db2.gz MGYDGQOMPLKOJY-AFXVXQJMSA-N 1 3 378.516 3.586 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246822452 1037654633 /nfs/dbraw/zinc/65/46/33/1037654633.db2.gz BAPZZWSSIHDUFN-CUUWFGFTSA-N 1 3 384.564 3.792 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246822452 1037654638 /nfs/dbraw/zinc/65/46/38/1037654638.db2.gz BAPZZWSSIHDUFN-CUUWFGFTSA-N 1 3 384.564 3.792 20 0 GHADHO O=C(c1ccc(Cl)cc1Cl)N1CCN([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246894281 1037709367 /nfs/dbraw/zinc/70/93/67/1037709367.db2.gz SXXZAGXCOYHSRO-MRXNPFEDSA-N 1 3 396.362 3.674 20 0 GHADHO O=C1CC[C@@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936895 1037742935 /nfs/dbraw/zinc/74/29/35/1037742935.db2.gz KKSIVZWBXSEGCK-JTHBVZDNSA-N 1 3 383.580 3.812 20 0 GHADHO O=C1CC[C@@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936895 1037742952 /nfs/dbraw/zinc/74/29/52/1037742952.db2.gz KKSIVZWBXSEGCK-JTHBVZDNSA-N 1 3 383.580 3.812 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)[C@H]2CCc3cc(F)ccc3C2)c1 ZINC001246956870 1037767304 /nfs/dbraw/zinc/76/73/04/1037767304.db2.gz IBOHDXJVCYBEAZ-QHCPKHFHSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)[C@H]2CCc3cc(F)ccc3C2)c1 ZINC001246956870 1037767318 /nfs/dbraw/zinc/76/73/18/1037767318.db2.gz IBOHDXJVCYBEAZ-QHCPKHFHSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(CN(C2CC[NH2+]CC2)[C@H]2CCc3cc(F)ccc3C2)c1 ZINC001246956870 1037767332 /nfs/dbraw/zinc/76/73/32/1037767332.db2.gz IBOHDXJVCYBEAZ-QHCPKHFHSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246987242 1037811440 /nfs/dbraw/zinc/81/14/40/1037811440.db2.gz FBUPQSHFMXYCNS-ZRBLBEILSA-N 1 3 378.516 3.973 20 0 GHADHO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246987242 1037811460 /nfs/dbraw/zinc/81/14/60/1037811460.db2.gz FBUPQSHFMXYCNS-ZRBLBEILSA-N 1 3 378.516 3.973 20 0 GHADHO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246998735 1037823842 /nfs/dbraw/zinc/82/38/42/1037823842.db2.gz ZSSHXVKGSKLCLM-VJBWXMMDSA-N 1 3 378.516 3.973 20 0 GHADHO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246998735 1037823870 /nfs/dbraw/zinc/82/38/70/1037823870.db2.gz ZSSHXVKGSKLCLM-VJBWXMMDSA-N 1 3 378.516 3.973 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247000854 1037826916 /nfs/dbraw/zinc/82/69/16/1037826916.db2.gz HDJMGRYGFUBFOX-HXUWFJFHSA-N 1 3 378.516 3.873 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(OC)nc2C)CC3)c1 ZINC001232334692 1038115757 /nfs/dbraw/zinc/11/57/57/1038115757.db2.gz IVQYKBSUEMTYPP-UHFFFAOYSA-N 1 3 395.547 3.895 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(OC)nc2C)CC3)c1 ZINC001232334692 1038115768 /nfs/dbraw/zinc/11/57/68/1038115768.db2.gz IVQYKBSUEMTYPP-UHFFFAOYSA-N 1 3 395.547 3.895 20 0 GHADHO CN(Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1ccc(Cl)c(Cl)c1 ZINC001232366287 1038141784 /nfs/dbraw/zinc/14/17/84/1038141784.db2.gz YSBOUVIVACWGLV-UHFFFAOYSA-N 1 3 379.335 3.772 20 0 GHADHO COc1ccc(OC(C)C)c(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001232387807 1038169737 /nfs/dbraw/zinc/16/97/37/1038169737.db2.gz DLAXTZDEQZCXPC-IRLDBZIGSA-N 1 3 395.547 3.831 20 0 GHADHO COc1ccc(OC(C)C)c(CN2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001232387807 1038169749 /nfs/dbraw/zinc/16/97/49/1038169749.db2.gz DLAXTZDEQZCXPC-IRLDBZIGSA-N 1 3 395.547 3.831 20 0 GHADHO CN(C)Cc1ccc(-c2noc([C@H]3Oc4ccccc4C34CC[NH2+]CC4)n2)cc1 ZINC001247900360 1038472162 /nfs/dbraw/zinc/47/21/62/1038472162.db2.gz YHEKETBEQKYCDG-HXUWFJFHSA-N 1 3 390.487 3.553 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001252383845 1038968920 /nfs/dbraw/zinc/96/89/20/1038968920.db2.gz XXDBIQWAFXAEJN-BHDDXSALSA-N 1 3 382.548 3.918 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001252383845 1038968926 /nfs/dbraw/zinc/96/89/26/1038968926.db2.gz XXDBIQWAFXAEJN-BHDDXSALSA-N 1 3 382.548 3.918 20 0 GHADHO COc1cc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)ccc1-n1ccnc1 ZINC001234033665 1039775241 /nfs/dbraw/zinc/77/52/41/1039775241.db2.gz ULIMNAJFXNAJES-UHFFFAOYSA-N 1 3 390.531 3.977 20 0 GHADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001254493598 1040278578 /nfs/dbraw/zinc/27/85/78/1040278578.db2.gz LYXGVOXDODLIQR-HSZRJFAPSA-N 1 3 395.591 3.612 20 0 GHADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001254493598 1040278586 /nfs/dbraw/zinc/27/85/86/1040278586.db2.gz LYXGVOXDODLIQR-HSZRJFAPSA-N 1 3 395.591 3.612 20 0 GHADHO COc1cc(CN2CCC3(C2)CC[NH2+]CC3)c(OCc2ccccc2)cc1OC ZINC001235092508 1040581765 /nfs/dbraw/zinc/58/17/65/1040581765.db2.gz KPBMRJWFVMXJOF-UHFFFAOYSA-N 1 3 396.531 3.858 20 0 GHADHO FC(F)Oc1cccc(Br)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC001235105919 1040593432 /nfs/dbraw/zinc/59/34/32/1040593432.db2.gz IEPGRIBRDTXEMX-UHFFFAOYSA-N 1 3 375.257 3.626 20 0 GHADHO C[NH+](C)CC[C@@H](N[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccccc1 ZINC001254887339 1040637328 /nfs/dbraw/zinc/63/73/28/1040637328.db2.gz PRGPWVZBHOAHLF-PLACYPQZSA-N 1 3 387.568 3.915 20 0 GHADHO O[C@H]1C[C@@H](N[C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068710 1040763437 /nfs/dbraw/zinc/76/34/37/1040763437.db2.gz BNYDPFJFXSPEFL-NHTNDUFYSA-N 1 3 376.544 3.864 20 0 GHADHO O[C@H]1C[C@@H](N[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068710 1040763454 /nfs/dbraw/zinc/76/34/54/1040763454.db2.gz BNYDPFJFXSPEFL-NHTNDUFYSA-N 1 3 376.544 3.864 20 0 GHADHO CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235338539 1040806923 /nfs/dbraw/zinc/80/69/23/1040806923.db2.gz BDXXHISZXNURHR-LLVKDONJSA-N 1 3 396.318 3.693 20 0 GHADHO c1ccc(CN2CC(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)cc1 ZINC001255124943 1040817486 /nfs/dbraw/zinc/81/74/86/1040817486.db2.gz QBJATPZKSADMAG-MPIKPJSNSA-N 1 3 375.560 3.904 20 0 GHADHO CCOC(=O)c1ccc(CCCN2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235348177 1040824366 /nfs/dbraw/zinc/82/43/66/1040824366.db2.gz CAWWIVDLWKWANB-ILBGXUMGSA-N 1 3 392.543 3.875 20 0 GHADHO CCc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn21 ZINC001255131843 1040829514 /nfs/dbraw/zinc/82/95/14/1040829514.db2.gz GWTOQEKHEXPRLC-WKCHPHFGSA-N 1 3 375.520 3.577 20 0 GHADHO COCc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001255134343 1040834381 /nfs/dbraw/zinc/83/43/81/1040834381.db2.gz BBHWIGHLYSGJCK-JLLPCOHGSA-N 1 3 380.532 3.652 20 0 GHADHO COc1ccc2c(c1)c(CN)nn2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137324 1040840914 /nfs/dbraw/zinc/84/09/14/1040840914.db2.gz WPLIMCRECWURCG-BWTSREIZSA-N 1 3 376.504 3.872 20 0 GHADHO COc1ccc2c(c1)c(CN)nn2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137324 1040840915 /nfs/dbraw/zinc/84/09/15/1040840915.db2.gz WPLIMCRECWURCG-BWTSREIZSA-N 1 3 376.504 3.872 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235372797 1040879723 /nfs/dbraw/zinc/87/97/23/1040879723.db2.gz VDWHDJGIZWESQI-ISKFKSNPSA-N 1 3 381.539 3.641 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CN(Cc4ccccc4)C3)CC1)C2 ZINC001255214933 1040909840 /nfs/dbraw/zinc/90/98/40/1040909840.db2.gz QZFNYSRMGAAVOG-KOUNCHBCSA-N 1 3 397.563 3.736 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCN([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255400161 1040986088 /nfs/dbraw/zinc/98/60/88/1040986088.db2.gz GSFGFZRMAVTSPZ-OAQYLSRUSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCN([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255400161 1040986089 /nfs/dbraw/zinc/98/60/89/1040986089.db2.gz GSFGFZRMAVTSPZ-OAQYLSRUSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)C1 ZINC001255401192 1040987738 /nfs/dbraw/zinc/98/77/38/1040987738.db2.gz ROTPEPDGLWUEKG-RPBOFIJWSA-N 1 3 399.623 3.864 20 0 GHADHO CC(C)N1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)C1 ZINC001255401192 1040987744 /nfs/dbraw/zinc/98/77/44/1040987744.db2.gz ROTPEPDGLWUEKG-RPBOFIJWSA-N 1 3 399.623 3.864 20 0 GHADHO Clc1cccc(OC2CCN(Cc3cccc(N4CC[NH2+]CC4)c3)CC2)c1 ZINC001235687160 1041158324 /nfs/dbraw/zinc/15/83/24/1041158324.db2.gz FVKHNEJWPZZABQ-UHFFFAOYSA-N 1 3 385.939 3.793 20 0 GHADHO Clc1cccc(Cl)c1CN1CCN(CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001235690652 1041165068 /nfs/dbraw/zinc/16/50/68/1041165068.db2.gz JZAIIUQPFBXXEK-UHFFFAOYSA-N 1 3 382.379 3.891 20 0 GHADHO COCCN(C)[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Cl)cc1 ZINC001255677911 1041210988 /nfs/dbraw/zinc/21/09/88/1041210988.db2.gz ZUYXDLQMLXUAAH-VTHDOGFWSA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001255677911 1041211001 /nfs/dbraw/zinc/21/10/01/1041211001.db2.gz ZUYXDLQMLXUAAH-VTHDOGFWSA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001255677911 1041211020 /nfs/dbraw/zinc/21/10/20/1041211020.db2.gz ZUYXDLQMLXUAAH-VTHDOGFWSA-N 1 3 379.976 3.564 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001255905418 1041388209 /nfs/dbraw/zinc/38/82/09/1041388209.db2.gz NRTYOMAUJXWLKB-ICSRJNTNSA-N 1 3 377.573 3.796 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960020 1041438936 /nfs/dbraw/zinc/43/89/36/1041438936.db2.gz CPOWPHSMDKQJHB-HRAATJIYSA-N 1 3 379.495 3.514 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960020 1041438945 /nfs/dbraw/zinc/43/89/45/1041438945.db2.gz CPOWPHSMDKQJHB-HRAATJIYSA-N 1 3 379.495 3.514 20 0 GHADHO Cc1cc(CN2CCC[C@@H](N3CC(C[NH3+])C3)C2)c(OCc2ccccc2)cc1C ZINC001236081380 1041526544 /nfs/dbraw/zinc/52/65/44/1041526544.db2.gz DUWCJZREOWOAKU-XMMPIXPASA-N 1 3 393.575 3.737 20 0 GHADHO O=C(NC1CC[NH2+]CC1)c1cccc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001236250228 1041642534 /nfs/dbraw/zinc/64/25/34/1041642534.db2.gz FOTJRORQQFQLOJ-UHFFFAOYSA-N 1 3 395.522 3.960 20 0 GHADHO [NH3+]Cc1ccc(CN(Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC001236313870 1041667797 /nfs/dbraw/zinc/66/77/97/1041667797.db2.gz CGMZZMHWWRVARP-VWLOTQADSA-N 1 3 399.538 3.949 20 0 GHADHO Fc1ccc(CN(Cc2cncc(Br)c2)CC2CC[NH2+]CC2)cc1 ZINC001236380306 1041690495 /nfs/dbraw/zinc/69/04/95/1041690495.db2.gz FRXRCHQLZSLESY-UHFFFAOYSA-N 1 3 392.316 3.985 20 0 GHADHO CC(C)C1=NCCc2ccc(CN(Cc3ccccn3)[C@H]3CCC[NH2+]C3)cc21 ZINC001236487697 1041736921 /nfs/dbraw/zinc/73/69/21/1041736921.db2.gz DWDMUAWMIMJNKA-QFIPXVFZSA-N 1 3 376.548 3.837 20 0 GHADHO COC(=O)/C=C/c1cc(F)c(CN(CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC001236553068 1041759324 /nfs/dbraw/zinc/75/93/24/1041759324.db2.gz WGTIMULJGHXVOE-KSTPKZIDSA-N 1 3 378.463 3.633 20 0 GHADHO CN(C)c1ccc(Br)cc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001236708665 1041846303 /nfs/dbraw/zinc/84/63/03/1041846303.db2.gz XJOUOYANZUDYQL-UHFFFAOYSA-N 1 3 380.374 3.823 20 0 GHADHO c1ccc(C(c2ccccc2)N2CC3(C2)CCN(C[C@@H]2CCCC[NH2+]2)C3)cc1 ZINC001236850094 1041927741 /nfs/dbraw/zinc/92/77/41/1041927741.db2.gz YTFRKKMLSTYSIS-QHCPKHFHSA-N 1 3 375.560 3.926 20 0 GHADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cccc(-n3cncn3)c1)CC2 ZINC001236880921 1041939220 /nfs/dbraw/zinc/93/92/20/1041939220.db2.gz QQDRKIJJDZLBGN-JOCHJYFZSA-N 1 3 391.519 3.737 20 0 GHADHO [NH3+]CC1C[C@H]2CC[C@@H](C1)N2Cc1cc(OC(F)F)ccc1Br ZINC001237080692 1042026954 /nfs/dbraw/zinc/02/69/54/1042026954.db2.gz BRJKAOLHBUNFJA-VGPLMAKISA-N 1 3 375.257 3.752 20 0 GHADHO Clc1ccc2c(c1)[C@H]1CN(Cc3cccc(CN4CC[NH2+]CC4)c3)CC[C@@H]1N2 ZINC001237237872 1042100811 /nfs/dbraw/zinc/10/08/11/1042100811.db2.gz YDMGPRXOZQZVIH-GGAORHGYSA-N 1 3 396.966 3.529 20 0 GHADHO COC(=O)c1cc2cc(C[NH+]3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC001237311246 1042139460 /nfs/dbraw/zinc/13/94/60/1042139460.db2.gz QMHPZXJFJXHYBA-NHCUHLMSSA-N 1 3 389.499 3.518 20 0 GHADHO Cc1cc(I)c(CN2CCC3(CC[C@H]3[NH3+])CC2)cc1C ZINC001237359869 1042169095 /nfs/dbraw/zinc/16/90/95/1042169095.db2.gz QPQBFQQJZPRRLL-MRXNPFEDSA-N 1 3 384.305 3.611 20 0 GHADHO CC(=O)Nc1ccccc1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001237409349 1042195273 /nfs/dbraw/zinc/19/52/73/1042195273.db2.gz GQRIAIZHOAEDIW-UHFFFAOYSA-N 1 3 378.520 3.528 20 0 GHADHO CC(=O)Nc1ccccc1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001237409349 1042195276 /nfs/dbraw/zinc/19/52/76/1042195276.db2.gz GQRIAIZHOAEDIW-UHFFFAOYSA-N 1 3 378.520 3.528 20 0 GHADHO COC(=O)c1ccc([C@@H]2CCCCN2Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001237410249 1042196017 /nfs/dbraw/zinc/19/60/17/1042196017.db2.gz KPJNOLPGRCNOIO-QFIPXVFZSA-N 1 3 393.531 3.610 20 0 GHADHO CN1CC[NH+](C2CCN(Cc3cccc(-c4ccc(F)cc4F)c3)CC2)CC1 ZINC001237666800 1042312512 /nfs/dbraw/zinc/31/25/12/1042312512.db2.gz DUQCXDLLTMXFPX-UHFFFAOYSA-N 1 3 385.502 3.844 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC3)cc21 ZINC001237878342 1042406127 /nfs/dbraw/zinc/40/61/27/1042406127.db2.gz PIIRJJVDJJIQIN-VXKWHMMOSA-N 1 3 379.548 3.663 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@H+]3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC3)cc21 ZINC001237878342 1042406129 /nfs/dbraw/zinc/40/61/29/1042406129.db2.gz PIIRJJVDJJIQIN-VXKWHMMOSA-N 1 3 379.548 3.663 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001462616315 1070415996 /nfs/dbraw/zinc/41/59/96/1070415996.db2.gz JBSGXWXLCBWREN-ZTCOLXNVSA-N 1 3 383.580 3.512 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001462616315 1070416019 /nfs/dbraw/zinc/41/60/19/1070416019.db2.gz JBSGXWXLCBWREN-ZTCOLXNVSA-N 1 3 383.580 3.512 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001462616313 1070416318 /nfs/dbraw/zinc/41/63/18/1070416318.db2.gz JBSGXWXLCBWREN-OYDLWJJNSA-N 1 3 383.580 3.512 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001462616313 1070416321 /nfs/dbraw/zinc/41/63/21/1070416321.db2.gz JBSGXWXLCBWREN-OYDLWJJNSA-N 1 3 383.580 3.512 20 0 GHADHO COc1c(C)cnc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176049 1042509969 /nfs/dbraw/zinc/50/99/69/1042509969.db2.gz KLMSAVIXWJYBRB-XKCSPQBFSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176049 1042509974 /nfs/dbraw/zinc/50/99/74/1042509974.db2.gz KLMSAVIXWJYBRB-XKCSPQBFSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176049 1042509977 /nfs/dbraw/zinc/50/99/77/1042509977.db2.gz KLMSAVIXWJYBRB-XKCSPQBFSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176049 1042509981 /nfs/dbraw/zinc/50/99/81/1042509981.db2.gz KLMSAVIXWJYBRB-XKCSPQBFSA-N 1 3 394.563 3.835 20 0 GHADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cnc1-c1ccccc1 ZINC001238618742 1042660703 /nfs/dbraw/zinc/66/07/03/1042660703.db2.gz TVEVGMFRLNXQRR-UHFFFAOYSA-N 1 3 378.564 3.516 20 0 GHADHO CN1CCN(Cc2cccc(-c3ccc(SC4CC[NH2+]CC4)cc3)c2)CC1 ZINC001240306097 1042920378 /nfs/dbraw/zinc/92/03/78/1042920378.db2.gz SQMPDFVUNUEEJZ-UHFFFAOYSA-N 1 3 381.589 3.945 20 0 GHADHO CCOC(=O)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC001256527957 1043455461 /nfs/dbraw/zinc/45/54/61/1043455461.db2.gz BRQQUCOUPWTDHU-WTIAFYNJSA-N 1 3 380.532 3.976 20 0 GHADHO CCOC(=O)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC001256527957 1043455470 /nfs/dbraw/zinc/45/54/70/1043455470.db2.gz BRQQUCOUPWTDHU-WTIAFYNJSA-N 1 3 380.532 3.976 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256529953 1043461013 /nfs/dbraw/zinc/46/10/13/1043461013.db2.gz ZGYHDVBQWGJCJC-BKULYWANSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256529953 1043461027 /nfs/dbraw/zinc/46/10/27/1043461027.db2.gz ZGYHDVBQWGJCJC-BKULYWANSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@H]1C[C@@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541681 1043493489 /nfs/dbraw/zinc/49/34/89/1043493489.db2.gz MPBPBUFEFCPZIU-FPOVZHCZSA-N 1 3 399.579 3.982 20 0 GHADHO C[C@H]1C[C@@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541681 1043493502 /nfs/dbraw/zinc/49/35/02/1043493502.db2.gz MPBPBUFEFCPZIU-FPOVZHCZSA-N 1 3 399.579 3.982 20 0 GHADHO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](C1CCN(C(C)(C)C)CC1)CC2 ZINC001256570607 1043542755 /nfs/dbraw/zinc/54/27/55/1043542755.db2.gz MSYCOJVHNMQPPJ-OAQYLSRUSA-N 1 3 383.580 3.730 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001256606231 1043571212 /nfs/dbraw/zinc/57/12/12/1043571212.db2.gz SDOOVYQMOQJKTH-TZIWHRDSSA-N 1 3 385.552 3.592 20 0 GHADHO Clc1cccc(C2(C[NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)c1 ZINC001256680782 1043618212 /nfs/dbraw/zinc/61/82/12/1043618212.db2.gz CRYRJAFJQJKHCR-UHFFFAOYSA-N 1 3 392.971 3.621 20 0 GHADHO FC(F)(F)c1ccc([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)nc1 ZINC001256685872 1043622644 /nfs/dbraw/zinc/62/26/44/1043622644.db2.gz IIIJUGACWHNLGZ-TVPLGVNVSA-N 1 3 383.458 3.785 20 0 GHADHO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2C1CCC(N2CCOCC2)CC1 ZINC001256695874 1043627536 /nfs/dbraw/zinc/62/75/36/1043627536.db2.gz QVJMQDFIQHFRHQ-UHFFFAOYSA-N 1 3 397.563 3.933 20 0 GHADHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C2CCCCC2)C3)nc1 ZINC001257457983 1044004087 /nfs/dbraw/zinc/00/40/87/1044004087.db2.gz OYNGROLMNJHFNX-ZJSXRUAMSA-N 1 3 383.580 3.965 20 0 GHADHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C2CCCCC2)C3)nc1 ZINC001257457983 1044004101 /nfs/dbraw/zinc/00/41/01/1044004101.db2.gz OYNGROLMNJHFNX-ZJSXRUAMSA-N 1 3 383.580 3.965 20 0 GHADHO C[C@H](Cc1ccc(Br)cc1)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001257558501 1044041995 /nfs/dbraw/zinc/04/19/95/1044041995.db2.gz GJQNETWNZKJBNX-MRXNPFEDSA-N 1 3 388.353 3.811 20 0 GHADHO CN1CC[C@@H]2C[N@@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001257772165 1044163526 /nfs/dbraw/zinc/16/35/26/1044163526.db2.gz SGRJIBVXULSEQE-CQBQZOKZSA-N 1 3 391.600 3.830 20 0 GHADHO CN1CC[C@@H]2C[N@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001257772165 1044163532 /nfs/dbraw/zinc/16/35/32/1044163532.db2.gz SGRJIBVXULSEQE-CQBQZOKZSA-N 1 3 391.600 3.830 20 0 GHADHO COC(=O)[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001258149286 1044439737 /nfs/dbraw/zinc/43/97/37/1044439737.db2.gz HYPRODJVDQXKEP-DNQXCXABSA-N 1 3 392.543 3.582 20 0 GHADHO CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001296065641 1045242037 /nfs/dbraw/zinc/24/20/37/1045242037.db2.gz MUMLCESWRGMAGQ-JTHBVZDNSA-N 1 3 383.580 3.764 20 0 GHADHO CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001296065641 1045242047 /nfs/dbraw/zinc/24/20/47/1045242047.db2.gz MUMLCESWRGMAGQ-JTHBVZDNSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001302674493 1047037911 /nfs/dbraw/zinc/03/79/11/1047037911.db2.gz UDXGRYJKWMNKOT-LJQANCHMSA-N 1 3 390.620 3.587 20 0 GHADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3ccc(Br)cc3)C2)C1 ZINC001279143684 1047729977 /nfs/dbraw/zinc/72/99/77/1047729977.db2.gz WJOBZMQYUKDFPQ-FQEVSTJZSA-N 1 3 394.401 3.689 20 0 GHADHO Brc1cnccc1CN1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279405770 1047796336 /nfs/dbraw/zinc/79/63/36/1047796336.db2.gz PWHTWRLCRIAIIT-IYBDPMFKSA-N 1 3 378.358 3.931 20 0 GHADHO Brc1cnccc1CN1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279405770 1047796344 /nfs/dbraw/zinc/79/63/44/1047796344.db2.gz PWHTWRLCRIAIIT-IYBDPMFKSA-N 1 3 378.358 3.931 20 0 GHADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1ccc(SC(F)(F)F)cc1)C2 ZINC001279434942 1047805675 /nfs/dbraw/zinc/80/56/75/1047805675.db2.gz DFGLSTBHYUEPGF-UHFFFAOYSA-N 1 3 387.515 3.758 20 0 GHADHO Brc1sccc1CN1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279514477 1047830748 /nfs/dbraw/zinc/83/07/48/1047830748.db2.gz BVABMYNOVJAJIY-GASCZTMLSA-N 1 3 395.370 3.578 20 0 GHADHO Brc1sccc1CN1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279514477 1047830759 /nfs/dbraw/zinc/83/07/59/1047830759.db2.gz BVABMYNOVJAJIY-GASCZTMLSA-N 1 3 395.370 3.578 20 0 GHADHO C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@]23CCN(Cc2ccc(Cl)s2)C3)CC1 ZINC001280310775 1048173984 /nfs/dbraw/zinc/17/39/84/1048173984.db2.gz PEPFLBMOUKQDLU-FXAWDEMLSA-N 1 3 396.000 3.604 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC001306869288 1048936777 /nfs/dbraw/zinc/93/67/77/1048936777.db2.gz ZAJFHHXCQXQZKO-QFIPXVFZSA-N 1 3 397.563 3.761 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001306869288 1048936780 /nfs/dbraw/zinc/93/67/80/1048936780.db2.gz ZAJFHHXCQXQZKO-QFIPXVFZSA-N 1 3 397.563 3.761 20 0 GHADHO COC(=O)C[C@@H]1CCCN1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597732 1049436186 /nfs/dbraw/zinc/43/61/86/1049436186.db2.gz KFMLCNISAROEHY-GOTSBHOMSA-N 1 3 380.532 3.930 20 0 GHADHO COC(=O)C[C@@H]1CCCN1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597732 1049436199 /nfs/dbraw/zinc/43/61/99/1049436199.db2.gz KFMLCNISAROEHY-GOTSBHOMSA-N 1 3 380.532 3.930 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954639 1049720273 /nfs/dbraw/zinc/72/02/73/1049720273.db2.gz MTROVESAZXDPKM-YADHBBJMSA-N 1 3 387.568 3.867 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954639 1049720285 /nfs/dbraw/zinc/72/02/85/1049720285.db2.gz MTROVESAZXDPKM-YADHBBJMSA-N 1 3 387.568 3.867 20 0 GHADHO C[C@@H]1CN(C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308039100 1049789371 /nfs/dbraw/zinc/78/93/71/1049789371.db2.gz CVAYOBCPBLTDTQ-RTBURBONSA-N 1 3 388.556 3.629 20 0 GHADHO C[C@@H]1CN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308038664 1049790064 /nfs/dbraw/zinc/79/00/64/1049790064.db2.gz AKGIEPRMSBUUPH-RTBURBONSA-N 1 3 388.556 3.629 20 0 GHADHO CC[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(OC)c(OC)c1 ZINC001333464475 1051745872 /nfs/dbraw/zinc/74/58/72/1051745872.db2.gz CZCOZCPCVALLMC-QFIPXVFZSA-N 1 3 397.563 3.692 20 0 GHADHO CCN1C[C@@H](C)N(c2nnc(C3CCCC3)n2CC[N@H+](CC)C(C)C)C[C@H]1C ZINC001313816246 1053245448 /nfs/dbraw/zinc/24/54/48/1053245448.db2.gz TWPKVGBJTZAQBQ-RTBURBONSA-N 1 3 390.620 3.585 20 0 GHADHO CCN1C[C@@H](C)N(c2nnc(C3CCCC3)n2CC[N@@H+](CC)C(C)C)C[C@H]1C ZINC001313816246 1053245455 /nfs/dbraw/zinc/24/54/55/1053245455.db2.gz TWPKVGBJTZAQBQ-RTBURBONSA-N 1 3 390.620 3.585 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OCc1ccccc1 ZINC001474758246 1056281509 /nfs/dbraw/zinc/28/15/09/1056281509.db2.gz ZXSOXEOQPBWUGC-ZRBLBEILSA-N 1 3 393.531 3.556 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OCc1ccccc1 ZINC001474758246 1056281535 /nfs/dbraw/zinc/28/15/35/1056281535.db2.gz ZXSOXEOQPBWUGC-ZRBLBEILSA-N 1 3 393.531 3.556 20 0 GHADHO O=C(NCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OCc1ccccc1 ZINC001474758246 1056281558 /nfs/dbraw/zinc/28/15/58/1056281558.db2.gz ZXSOXEOQPBWUGC-ZRBLBEILSA-N 1 3 393.531 3.556 20 0 GHADHO CC[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC001325228457 1057293960 /nfs/dbraw/zinc/29/39/60/1057293960.db2.gz OPLHLVVTCVWPRU-QFIPXVFZSA-N 1 3 383.511 3.779 20 0 GHADHO Cc1cc2cc(CNC(=[NH2+])NC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 ZINC000849052321 1057561823 /nfs/dbraw/zinc/56/18/23/1057561823.db2.gz INTZEJSAMIYSKZ-UHFFFAOYSA-N 1 3 375.520 3.755 20 0 GHADHO Cc1cc(C)cc(NC(=[NH2+])NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000849058897 1057569978 /nfs/dbraw/zinc/56/99/78/1057569978.db2.gz ZUTZLGXZOYUQFV-QFIPXVFZSA-N 1 3 379.552 3.619 20 0 GHADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000849088276 1057589238 /nfs/dbraw/zinc/58/92/38/1057589238.db2.gz CBVZLVRYECLBNM-QZTJIDSGSA-N 1 3 397.592 3.514 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(-n4cccc4)ccc3F)CC2)CC1 ZINC001327084851 1057594930 /nfs/dbraw/zinc/59/49/30/1057594930.db2.gz OLUGBCDONYIKNJ-UHFFFAOYSA-N 1 3 398.526 3.751 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001341793057 1060899139 /nfs/dbraw/zinc/89/91/39/1060899139.db2.gz ZAZOASGQFUQSCH-UXHICEINSA-N 1 3 395.572 3.521 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001341793057 1060899144 /nfs/dbraw/zinc/89/91/44/1060899144.db2.gz ZAZOASGQFUQSCH-UXHICEINSA-N 1 3 395.572 3.521 20 0 GHADHO CC(C)(C)OC(=O)N(CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC001459783915 1064215340 /nfs/dbraw/zinc/21/53/40/1064215340.db2.gz BWJLQZGDKNJYAV-XLIONFOSSA-N 1 3 377.573 3.725 20 0 GHADHO CC(C)(C)OC(=O)N(CCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC001459783915 1064215342 /nfs/dbraw/zinc/21/53/42/1064215342.db2.gz BWJLQZGDKNJYAV-XLIONFOSSA-N 1 3 377.573 3.725 20 0 GHADHO COc1ccccc1N1CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC001200105323 1065231407 /nfs/dbraw/zinc/23/14/07/1065231407.db2.gz FNFWMADBGPAODV-QFIPXVFZSA-N 1 3 393.575 3.818 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccsc1 ZINC001467663780 1067406012 /nfs/dbraw/zinc/40/60/12/1067406012.db2.gz HIYKMWLTWDHUQY-QFUCXCTJSA-N 1 3 394.629 3.941 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)N(C)C)cc1 ZINC001468351144 1067698993 /nfs/dbraw/zinc/69/89/93/1067698993.db2.gz MTYHPSOOWGDYFT-FCHUYYIVSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)N(C)C)cc1 ZINC001468351144 1067698994 /nfs/dbraw/zinc/69/89/94/1067698994.db2.gz MTYHPSOOWGDYFT-FCHUYYIVSA-N 1 3 386.584 3.694 20 0 GHADHO COC1CCN(C2(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)CCCC2)CC1 ZINC000849101550 1067728225 /nfs/dbraw/zinc/72/82/25/1067728225.db2.gz LTRRXUBYHYXKIL-UHFFFAOYSA-N 1 3 388.556 3.834 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001468688613 1067826050 /nfs/dbraw/zinc/82/60/50/1067826050.db2.gz QGKXCFYAPMVYTR-JXFKEZNVSA-N 1 3 394.991 3.752 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001468688613 1067826062 /nfs/dbraw/zinc/82/60/62/1067826062.db2.gz QGKXCFYAPMVYTR-JXFKEZNVSA-N 1 3 394.991 3.752 20 0 GHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001468759351 1067864332 /nfs/dbraw/zinc/86/43/32/1067864332.db2.gz DMTHYNJFFCGMJR-IBGZPJMESA-N 1 3 380.621 3.650 20 0 GHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001468759351 1067864345 /nfs/dbraw/zinc/86/43/45/1067864345.db2.gz DMTHYNJFFCGMJR-IBGZPJMESA-N 1 3 380.621 3.650 20 0 GHADHO CC1([NH+]2CCCC2)CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001468872680 1067914436 /nfs/dbraw/zinc/91/44/36/1067914436.db2.gz KKZKVIHTPIZGMN-JOCHJYFZSA-N 1 3 398.595 3.874 20 0 GHADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCN(C2CCCCC2)CC1)[NH+](C)C ZINC001470094531 1068569548 /nfs/dbraw/zinc/56/95/48/1068569548.db2.gz LMZJWZOUOWIFHI-DENIHFKCSA-N 1 3 386.584 3.646 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001478590799 1078927894 /nfs/dbraw/zinc/92/78/94/1078927894.db2.gz JRWLRUMDDBDQAD-VJBMBRPKSA-N 1 3 398.595 3.870 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001478590799 1078927899 /nfs/dbraw/zinc/92/78/99/1078927899.db2.gz JRWLRUMDDBDQAD-VJBMBRPKSA-N 1 3 398.595 3.870 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)C2)cc1 ZINC001471314409 1073013273 /nfs/dbraw/zinc/01/32/73/1073013273.db2.gz JWEYFAKESWCBMH-ZEQRLZLVSA-N 1 3 391.559 3.565 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001478957570 1079039381 /nfs/dbraw/zinc/03/93/81/1079039381.db2.gz ROARSQVPEWYSKS-ILWGZMRPSA-N 1 3 388.600 3.674 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001478957570 1079039390 /nfs/dbraw/zinc/03/93/90/1079039390.db2.gz ROARSQVPEWYSKS-ILWGZMRPSA-N 1 3 388.600 3.674 20 0 GHADHO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001479002043 1079060002 /nfs/dbraw/zinc/06/00/02/1079060002.db2.gz XGJVOFVYGAFVBO-GMAHTHKFSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001479002043 1079060015 /nfs/dbraw/zinc/06/00/15/1079060015.db2.gz XGJVOFVYGAFVBO-GMAHTHKFSA-N 1 3 398.595 3.699 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203442 1073855135 /nfs/dbraw/zinc/85/51/35/1073855135.db2.gz DUQFMCVCUYJGPX-HXUWFJFHSA-N 1 3 393.019 3.516 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203442 1073855144 /nfs/dbraw/zinc/85/51/44/1073855144.db2.gz DUQFMCVCUYJGPX-HXUWFJFHSA-N 1 3 393.019 3.516 20 0 GHADHO Fc1ccc(CNCCCCC[NH+]2CCCC2)c(I)c1 ZINC001474160801 1074279712 /nfs/dbraw/zinc/27/97/12/1074279712.db2.gz DOJHSZSYLWEKQD-UHFFFAOYSA-N 1 3 390.284 3.786 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(C)nc2C2CCOCC2)CC1 ZINC001474374390 1074371557 /nfs/dbraw/zinc/37/15/57/1074371557.db2.gz QFZFXZOPRNKZPV-IBGZPJMESA-N 1 3 388.600 3.791 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C)nc2C2CCOCC2)CC1 ZINC001474374390 1074371562 /nfs/dbraw/zinc/37/15/62/1074371562.db2.gz QFZFXZOPRNKZPV-IBGZPJMESA-N 1 3 388.600 3.791 20 0 GHADHO CCCC[N@H+](C)CCn1c([C@H](C)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001500407321 1079599130 /nfs/dbraw/zinc/59/91/30/1079599130.db2.gz ITFDIZKRIHFUSB-LJQANCHMSA-N 1 3 390.620 3.588 20 0 GHADHO CCCC[N@@H+](C)CCn1c([C@H](C)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001500407321 1079599139 /nfs/dbraw/zinc/59/91/39/1079599139.db2.gz ITFDIZKRIHFUSB-LJQANCHMSA-N 1 3 390.620 3.588 20 0 GHADHO C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824953263 609154815 /nfs/dbraw/zinc/15/48/15/609154815.db2.gz DAOUAFFBBXFYSV-ZLPCBKJTSA-N 1 3 386.519 3.700 20 0 GHADHO C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824953263 609154816 /nfs/dbraw/zinc/15/48/16/609154816.db2.gz DAOUAFFBBXFYSV-ZLPCBKJTSA-N 1 3 386.519 3.700 20 0 GHADHO Cc1cccc(N(c2ccc(CN(C)C3CC3)cn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164776111 721329543 /nfs/dbraw/zinc/32/95/43/721329543.db2.gz COKWDYTYZWBGQA-UPVQGACJSA-N 1 3 392.547 3.643 20 0 GHADHO Clc1ccccc1[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCCC1 ZINC000655692335 837673401 /nfs/dbraw/zinc/67/34/01/837673401.db2.gz UNSPKGUCDZACHZ-SIKLNZKXSA-N 1 3 391.987 3.710 20 0 GHADHO C[C@H](NC1(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CCCC1)c1ccccc1 ZINC000655725979 837753791 /nfs/dbraw/zinc/75/37/91/837753791.db2.gz OSZCHESSXKXARO-REWPJTCUSA-N 1 3 385.596 3.883 20 0 GHADHO COc1ccc(-c2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)c(OC)c1 ZINC000584411402 834547070 /nfs/dbraw/zinc/54/70/70/834547070.db2.gz GTCKZGOZCIPFMV-HOTGVXAUSA-N 1 3 387.549 3.649 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(cnn4C(C)C)c3)CC2)CC1 ZINC000654810764 834591508 /nfs/dbraw/zinc/59/15/08/834591508.db2.gz VJPCCLNVIAXXBB-UHFFFAOYSA-N 1 3 397.567 3.752 20 0 GHADHO Cc1cc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)sc1Br ZINC000375756000 834631306 /nfs/dbraw/zinc/63/13/06/834631306.db2.gz HLVGGBOUUAWZFU-UONOGXRCSA-N 1 3 387.387 3.971 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccccc4C3(C)C)CC2)CC1 ZINC000654983009 834909387 /nfs/dbraw/zinc/90/93/87/834909387.db2.gz OEHXWHPGWJBQNT-UHFFFAOYSA-N 1 3 383.580 3.503 20 0 GHADHO COC[C@]1(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655627 835269094 /nfs/dbraw/zinc/26/90/94/835269094.db2.gz BVDKAVZWEQYBNP-PBXXJUDPSA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655627 835269102 /nfs/dbraw/zinc/26/91/02/835269102.db2.gz BVDKAVZWEQYBNP-PBXXJUDPSA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655627 835269109 /nfs/dbraw/zinc/26/91/09/835269109.db2.gz BVDKAVZWEQYBNP-PBXXJUDPSA-N 1 3 394.559 3.601 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4ccc(C)cc4)CCC3)CC2)CC1 ZINC000655161319 835331756 /nfs/dbraw/zinc/33/17/56/835331756.db2.gz UTUJOHNUALNDKM-UHFFFAOYSA-N 1 3 383.580 3.687 20 0 GHADHO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658001168 835368096 /nfs/dbraw/zinc/36/80/96/835368096.db2.gz BZRYURSHOJUCGW-CQSZACIVSA-N 1 3 391.909 3.905 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1)C1CC1 ZINC000584014673 835438103 /nfs/dbraw/zinc/43/81/03/835438103.db2.gz XQOCHUDDWDNWSH-JOCHJYFZSA-N 1 3 383.511 3.843 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1)C1CC1 ZINC000584014673 835438109 /nfs/dbraw/zinc/43/81/09/835438109.db2.gz XQOCHUDDWDNWSH-JOCHJYFZSA-N 1 3 383.511 3.843 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136501 835445629 /nfs/dbraw/zinc/44/56/29/835445629.db2.gz HDUUPNRRLXHZOT-VWNXMTODSA-N 1 3 392.543 3.745 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136501 835445633 /nfs/dbraw/zinc/44/56/33/835445633.db2.gz HDUUPNRRLXHZOT-VWNXMTODSA-N 1 3 392.543 3.745 20 0 GHADHO c1ccc(CN2CCC[C@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000658168046 835482190 /nfs/dbraw/zinc/48/21/90/835482190.db2.gz VFWCUPLLXPAINY-DEOSSOPVSA-N 1 3 378.564 3.548 20 0 GHADHO Cc1cc(C)n(-c2ccccc2CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000584107217 835656098 /nfs/dbraw/zinc/65/60/98/835656098.db2.gz VFXGMXTUPXPRLQ-URXFXBBRSA-N 1 3 388.515 3.835 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000109311152 835797253 /nfs/dbraw/zinc/79/72/53/835797253.db2.gz CZXAHURVIKCSNN-DHIUTWEWSA-N 1 3 379.548 3.626 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000109311152 835797262 /nfs/dbraw/zinc/79/72/62/835797262.db2.gz CZXAHURVIKCSNN-DHIUTWEWSA-N 1 3 379.548 3.626 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657837361 835819741 /nfs/dbraw/zinc/81/97/41/835819741.db2.gz YPOWQOXUHKJNLR-GOSISDBHSA-N 1 3 385.552 3.535 20 0 GHADHO Fc1ccc(CC[NH+]2CCC(NCc3cccc(Cn4ccnc4)c3)CC2)cc1 ZINC000151330555 836024606 /nfs/dbraw/zinc/02/46/06/836024606.db2.gz COKPQCGMLJNLMY-UHFFFAOYSA-N 1 3 392.522 3.867 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000163366742 836228549 /nfs/dbraw/zinc/22/85/49/836228549.db2.gz HQTFWHFCARQXLI-QFUCXCTJSA-N 1 3 379.976 3.645 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000163366742 836228559 /nfs/dbraw/zinc/22/85/59/836228559.db2.gz HQTFWHFCARQXLI-QFUCXCTJSA-N 1 3 379.976 3.645 20 0 GHADHO COc1cc(C)c(CN(C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC ZINC000092645289 844145008 /nfs/dbraw/zinc/14/50/08/844145008.db2.gz ROYYUCMCRRNXDZ-UHFFFAOYSA-N 1 3 383.536 3.546 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000584485186 836334330 /nfs/dbraw/zinc/33/43/30/836334330.db2.gz YDTCCAKQYVOQHI-QFIPXVFZSA-N 1 3 383.536 3.570 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000549719655 844161632 /nfs/dbraw/zinc/16/16/32/844161632.db2.gz AZIVINWXCNUYQV-SOLBZPMBSA-N 1 3 395.385 3.785 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000511394151 836927949 /nfs/dbraw/zinc/92/79/49/836927949.db2.gz BECRSWVLEUZEEV-STZQEDGTSA-N 1 3 394.003 3.956 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000511394151 836927956 /nfs/dbraw/zinc/92/79/56/836927956.db2.gz BECRSWVLEUZEEV-STZQEDGTSA-N 1 3 394.003 3.956 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCCO2 ZINC000414309439 837014315 /nfs/dbraw/zinc/01/43/15/837014315.db2.gz RLWVAVPYSRCGPS-JOCHJYFZSA-N 1 3 396.531 3.526 20 0 GHADHO [NH3+]Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653136665 838657637 /nfs/dbraw/zinc/65/76/37/838657637.db2.gz ZTLQBLKPJKFHLR-CHWSQXEVSA-N 1 3 384.320 3.850 20 0 GHADHO CN(CC[C@@H]1Sc2ccccc2NC1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659973113 839031403 /nfs/dbraw/zinc/03/14/03/839031403.db2.gz MCDGDYCNDNTVLC-KNQAVFIVSA-N 1 3 395.572 3.943 20 0 GHADHO CN(CC[C@@H]1Sc2ccccc2NC1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659973113 839031412 /nfs/dbraw/zinc/03/14/12/839031412.db2.gz MCDGDYCNDNTVLC-KNQAVFIVSA-N 1 3 395.572 3.943 20 0 GHADHO CCCOc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(OCCC)c1 ZINC000415117981 839229894 /nfs/dbraw/zinc/22/98/94/839229894.db2.gz CSTLQKPJHSAJSX-UNMCSNQZSA-N 1 3 390.568 3.983 20 0 GHADHO CCCOc1c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cccc1OCC ZINC000415126583 839249100 /nfs/dbraw/zinc/24/91/00/839249100.db2.gz PQLXUWWSWVYRMM-TZIWHRDSSA-N 1 3 376.541 3.592 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000644535745 839783640 /nfs/dbraw/zinc/78/36/40/839783640.db2.gz SBTSPLYJKNOHDQ-FPOVZHCZSA-N 1 3 379.548 3.951 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000644535745 839783648 /nfs/dbraw/zinc/78/36/48/839783648.db2.gz SBTSPLYJKNOHDQ-FPOVZHCZSA-N 1 3 379.548 3.951 20 0 GHADHO [NH3+]CCC[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000416784194 840156604 /nfs/dbraw/zinc/15/66/04/840156604.db2.gz IUSMREQTCJXXFQ-FCHUYYIVSA-N 1 3 380.536 3.603 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418461721 840261801 /nfs/dbraw/zinc/26/18/01/840261801.db2.gz MGYXEKOUHRBOBP-OALUTQOASA-N 1 3 380.536 3.512 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC000418462590 840264762 /nfs/dbraw/zinc/26/47/62/840264762.db2.gz NHCQATGMSZAQKK-MRXNPFEDSA-N 1 3 388.943 3.633 20 0 GHADHO CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513127481 844533234 /nfs/dbraw/zinc/53/32/34/844533234.db2.gz IWLWDELZTZCFCN-JIRNRHONSA-N 1 3 377.532 3.712 20 0 GHADHO CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513127481 844533240 /nfs/dbraw/zinc/53/32/40/844533240.db2.gz IWLWDELZTZCFCN-JIRNRHONSA-N 1 3 377.532 3.712 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000417352479 840770973 /nfs/dbraw/zinc/77/09/73/840770973.db2.gz GKLFCINMLDMIRN-VABKMULXSA-N 1 3 398.595 3.696 20 0 GHADHO COc1cccc2c1CCN(CCCC[N@@H+]1CCc3c(cccc3OC)C1)C2 ZINC000543872547 840900249 /nfs/dbraw/zinc/90/02/49/840900249.db2.gz BNYNFGZWIYJQOK-UHFFFAOYSA-N 1 3 380.532 3.900 20 0 GHADHO COc1cccc2c1CCN(CCCC[N@H+]1CCc3c(cccc3OC)C1)C2 ZINC000543872547 840900258 /nfs/dbraw/zinc/90/02/58/840900258.db2.gz BNYNFGZWIYJQOK-UHFFFAOYSA-N 1 3 380.532 3.900 20 0 GHADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653589 841059671 /nfs/dbraw/zinc/05/96/71/841059671.db2.gz BXWUUGJJDAWXOF-LADGPHEKSA-N 1 3 380.532 3.511 20 0 GHADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653589 841059684 /nfs/dbraw/zinc/05/96/84/841059684.db2.gz BXWUUGJJDAWXOF-LADGPHEKSA-N 1 3 380.532 3.511 20 0 GHADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652976 841060385 /nfs/dbraw/zinc/06/03/85/841060385.db2.gz NQYSBWLBFYDFGJ-HYBUGGRVSA-N 1 3 396.531 3.636 20 0 GHADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652976 841060397 /nfs/dbraw/zinc/06/03/97/841060397.db2.gz NQYSBWLBFYDFGJ-HYBUGGRVSA-N 1 3 396.531 3.636 20 0 GHADHO CC(C)[NH+]1CCN(CCCN(C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000660707109 841122484 /nfs/dbraw/zinc/12/24/84/841122484.db2.gz CCIFXKXJFNTQIC-MRXNPFEDSA-N 1 3 377.964 3.625 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCC4)[C@H]3c3ccco3)CC2)CC1 ZINC000581439235 841408999 /nfs/dbraw/zinc/40/89/99/841408999.db2.gz OFQJZODRMIHMSP-OAQYLSRUSA-N 1 3 385.552 3.530 20 0 GHADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000656785361 841922920 /nfs/dbraw/zinc/92/29/20/841922920.db2.gz GVDXTPXWMBIIOD-QGZVFWFLSA-N 1 3 386.458 3.848 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(N)CCCC1 ZINC000656788929 841928782 /nfs/dbraw/zinc/92/87/82/841928782.db2.gz GOHGLZBSUZPGTP-LLVKDONJSA-N 1 3 377.838 3.937 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccccc2N2CCCCC2)C1 ZINC000893490021 842052023 /nfs/dbraw/zinc/05/20/23/842052023.db2.gz LLEJDUJREXTTPK-HSZRJFAPSA-N 1 3 379.548 3.533 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccccc2N2CCCCC2)C1 ZINC000893490021 842052033 /nfs/dbraw/zinc/05/20/33/842052033.db2.gz LLEJDUJREXTTPK-HSZRJFAPSA-N 1 3 379.548 3.533 20 0 GHADHO C(CN1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661878174 842268100 /nfs/dbraw/zinc/26/81/00/842268100.db2.gz LZJDMQVJZSGVKN-ODAXIHTASA-N 1 3 378.601 3.939 20 0 GHADHO C(CN1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661878174 842268107 /nfs/dbraw/zinc/26/81/07/842268107.db2.gz LZJDMQVJZSGVKN-ODAXIHTASA-N 1 3 378.601 3.939 20 0 GHADHO C(CN1CCC[C@@H]([C@@H]2CCCCO2)C1)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878174 842268112 /nfs/dbraw/zinc/26/81/12/842268112.db2.gz LZJDMQVJZSGVKN-ODAXIHTASA-N 1 3 378.601 3.939 20 0 GHADHO C(CN1CCC[C@@H]([C@@H]2CCCCO2)C1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878174 842268125 /nfs/dbraw/zinc/26/81/25/842268125.db2.gz LZJDMQVJZSGVKN-ODAXIHTASA-N 1 3 378.601 3.939 20 0 GHADHO C(CN1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661878172 842268799 /nfs/dbraw/zinc/26/87/99/842268799.db2.gz LZJDMQVJZSGVKN-KAOXLYBCSA-N 1 3 378.601 3.939 20 0 GHADHO C(CN1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661878172 842268811 /nfs/dbraw/zinc/26/88/11/842268811.db2.gz LZJDMQVJZSGVKN-KAOXLYBCSA-N 1 3 378.601 3.939 20 0 GHADHO C(CN1CCC[C@H]([C@H]2CCCCO2)C1)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878172 842268820 /nfs/dbraw/zinc/26/88/20/842268820.db2.gz LZJDMQVJZSGVKN-KAOXLYBCSA-N 1 3 378.601 3.939 20 0 GHADHO C(CN1CCC[C@H]([C@H]2CCCCO2)C1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878172 842268827 /nfs/dbraw/zinc/26/88/27/842268827.db2.gz LZJDMQVJZSGVKN-KAOXLYBCSA-N 1 3 378.601 3.939 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652335231 842270553 /nfs/dbraw/zinc/27/05/53/842270553.db2.gz YYSASXKHKPMFGQ-XWSHUIEDSA-N 1 3 377.532 3.548 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652335231 842270563 /nfs/dbraw/zinc/27/05/63/842270563.db2.gz YYSASXKHKPMFGQ-XWSHUIEDSA-N 1 3 377.532 3.548 20 0 GHADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(C)(C)CN(C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044700 842299642 /nfs/dbraw/zinc/29/96/42/842299642.db2.gz HANNKSMHTATDKQ-XPNTWCBSSA-N 1 3 387.612 3.718 20 0 GHADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC(C)(C)CN(C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044700 842299645 /nfs/dbraw/zinc/29/96/45/842299645.db2.gz HANNKSMHTATDKQ-XPNTWCBSSA-N 1 3 387.612 3.718 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178034202 861297747 /nfs/dbraw/zinc/29/77/47/861297747.db2.gz JTEJAHZDGVCMAU-YESZJQIVSA-N 1 3 381.948 3.536 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000652361914 842370399 /nfs/dbraw/zinc/37/03/99/842370399.db2.gz SJMFHFVPBIGEJJ-LSTHTHJFSA-N 1 3 375.900 3.856 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc3occc3c2)cc1 ZINC000512067204 842399753 /nfs/dbraw/zinc/39/97/53/842399753.db2.gz JUHONMFIQGLJOB-UHFFFAOYSA-N 1 3 377.488 3.548 20 0 GHADHO C[C@H](NC[C@@H](O)COc1cccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248546369 842689498 /nfs/dbraw/zinc/68/94/98/842689498.db2.gz DVGNJSFGJHNDJV-CZTZKLFOSA-N 1 3 382.548 3.822 20 0 GHADHO C[C@H](NC[C@@H](O)COc1cccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248546369 842689505 /nfs/dbraw/zinc/68/95/05/842689505.db2.gz DVGNJSFGJHNDJV-CZTZKLFOSA-N 1 3 382.548 3.822 20 0 GHADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000471851068 842844970 /nfs/dbraw/zinc/84/49/70/842844970.db2.gz OTFRRIWPIYWJMI-SIKLNZKXSA-N 1 3 383.511 3.826 20 0 GHADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000471851068 842844978 /nfs/dbraw/zinc/84/49/78/842844978.db2.gz OTFRRIWPIYWJMI-SIKLNZKXSA-N 1 3 383.511 3.826 20 0 GHADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCC(=O)Nc1ccccc1F ZINC000471851068 842844988 /nfs/dbraw/zinc/84/49/88/842844988.db2.gz OTFRRIWPIYWJMI-SIKLNZKXSA-N 1 3 383.511 3.826 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000662388691 843170077 /nfs/dbraw/zinc/17/00/77/843170077.db2.gz SJDJSJVZYFXUFD-JPYJTQIMSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000662388691 843170095 /nfs/dbraw/zinc/17/00/95/843170095.db2.gz SJDJSJVZYFXUFD-JPYJTQIMSA-N 1 3 377.532 3.912 20 0 GHADHO FC(F)Oc1c(Br)cccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430956623 843252999 /nfs/dbraw/zinc/25/29/99/843252999.db2.gz LLIIGSAVGUPCSF-UHFFFAOYSA-N 1 3 375.257 3.626 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418657836 843506858 /nfs/dbraw/zinc/50/68/58/843506858.db2.gz INUAABJWYUPWCT-NZQKXSOJSA-N 1 3 394.563 3.773 20 0 GHADHO CN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418659563 843508521 /nfs/dbraw/zinc/50/85/21/843508521.db2.gz LYJGCBSVTBKZKV-XZOQPEGZSA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418674997 843526164 /nfs/dbraw/zinc/52/61/64/843526164.db2.gz PGOWFJYDEFVNIL-NFBKMPQASA-N 1 3 394.563 3.630 20 0 GHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000673705877 861430224 /nfs/dbraw/zinc/43/02/24/861430224.db2.gz CXBFILCWXHIUTD-JTHBVZDNSA-N 1 3 398.595 3.587 20 0 GHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000673705877 861430229 /nfs/dbraw/zinc/43/02/29/861430229.db2.gz CXBFILCWXHIUTD-JTHBVZDNSA-N 1 3 398.595 3.587 20 0 GHADHO COc1cc(CN(C)C[C@@H]2CCCCO2)cc(C[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000432937428 844686488 /nfs/dbraw/zinc/68/64/88/844686488.db2.gz KMRLLWWZFQUCMZ-VXKWHMMOSA-N 1 3 390.568 3.697 20 0 GHADHO COc1cc(CN(C)C[C@@H]2CCCCO2)cc(C[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000432937428 844686494 /nfs/dbraw/zinc/68/64/94/844686494.db2.gz KMRLLWWZFQUCMZ-VXKWHMMOSA-N 1 3 390.568 3.697 20 0 GHADHO C[C@@H]1C[C@H](NCCNc2nccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513212855 845056115 /nfs/dbraw/zinc/05/61/15/845056115.db2.gz RCXZNWPJQVJVAV-NVXWUHKLSA-N 1 3 393.457 3.550 20 0 GHADHO C[C@@H]1C[C@H](NCCNc2nccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000513212855 845056127 /nfs/dbraw/zinc/05/61/27/845056127.db2.gz RCXZNWPJQVJVAV-NVXWUHKLSA-N 1 3 393.457 3.550 20 0 GHADHO CN(c1ccccc1CN1CCN(C)c2ccccc2C1)C1CC[NH+](C)CC1 ZINC000513386375 845361169 /nfs/dbraw/zinc/36/11/69/845361169.db2.gz KHOPCCDIJSEIQW-UHFFFAOYSA-N 1 3 378.564 3.669 20 0 GHADHO C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124603 845456399 /nfs/dbraw/zinc/45/63/99/845456399.db2.gz DSQSXPXOORHMGS-SFTDATJTSA-N 1 3 383.580 3.764 20 0 GHADHO COc1cc([C@@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1OCCO ZINC000411463681 845472855 /nfs/dbraw/zinc/47/28/55/845472855.db2.gz WNPHNUOKBOVLOK-LJQANCHMSA-N 1 3 398.547 3.903 20 0 GHADHO FC(F)C(F)(F)COCCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433172072 845577442 /nfs/dbraw/zinc/57/74/42/845577442.db2.gz DDELKZMLLPQUCX-UHFFFAOYSA-N 1 3 388.449 3.892 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421337218 846169693 /nfs/dbraw/zinc/16/96/93/846169693.db2.gz YKWZHOSOKXAMOT-HXUWFJFHSA-N 1 3 395.595 3.781 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(-c4ccncc4)cc3F)CC2)CC1 ZINC000421383569 846199836 /nfs/dbraw/zinc/19/98/36/846199836.db2.gz ZIFRQHOMIRNZEI-UHFFFAOYSA-N 1 3 396.554 3.880 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000502838078 846508461 /nfs/dbraw/zinc/50/84/61/846508461.db2.gz CKHWKTPHEGZZNY-UGKGYDQZSA-N 1 3 388.600 3.806 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000502838078 846508473 /nfs/dbraw/zinc/50/84/73/846508473.db2.gz CKHWKTPHEGZZNY-UGKGYDQZSA-N 1 3 388.600 3.806 20 0 GHADHO CC(C)[NH+]1CCN(CCCN2CCC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000501030232 846548489 /nfs/dbraw/zinc/54/84/89/846548489.db2.gz BXIGWIQLRMRHLP-IBGZPJMESA-N 1 3 379.976 3.599 20 0 GHADHO CCOc1ccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C)c1 ZINC000657364305 846569851 /nfs/dbraw/zinc/56/98/51/846569851.db2.gz LAHSZSDOOFPGHW-UHFFFAOYSA-N 1 3 395.547 3.509 20 0 GHADHO Cc1cc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)ccc1Cl ZINC000414552008 846579052 /nfs/dbraw/zinc/57/90/52/846579052.db2.gz GDJGXUPETXFWJQ-UHFFFAOYSA-N 1 3 385.939 3.636 20 0 GHADHO OC1(CNCc2ccccc2OCC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414553609 846591066 /nfs/dbraw/zinc/59/10/66/846591066.db2.gz TUMMIFATZBSDJZ-UHFFFAOYSA-N 1 3 380.532 3.592 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(C(=O)c3ccc(C)c(C)c3Cl)CC2)CC1 ZINC000422029511 846760608 /nfs/dbraw/zinc/76/06/08/846760608.db2.gz ZUOVRQPTKSTPNW-UHFFFAOYSA-N 1 3 377.960 3.589 20 0 GHADHO CCN1CCC([N@H+]2CCCN(C(=O)c3ccc(C)c(C)c3Cl)CC2)CC1 ZINC000422029511 846760619 /nfs/dbraw/zinc/76/06/19/846760619.db2.gz ZUOVRQPTKSTPNW-UHFFFAOYSA-N 1 3 377.960 3.589 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)cc2)CC1 ZINC000501416889 846903147 /nfs/dbraw/zinc/90/31/47/846903147.db2.gz FYGWRCSHZIFOQC-LADGPHEKSA-N 1 3 378.564 3.645 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCC[NH+]2CCC(C)CC2)c2cccs2)CC1 ZINC000501549518 846994845 /nfs/dbraw/zinc/99/48/45/846994845.db2.gz IBXXGLGCYANBNH-LJQANCHMSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000501755924 847166574 /nfs/dbraw/zinc/16/65/74/847166574.db2.gz MXHXTYSJLNUAHJ-CEXWTWQISA-N 1 3 392.613 3.552 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000501755924 847166579 /nfs/dbraw/zinc/16/65/79/847166579.db2.gz MXHXTYSJLNUAHJ-CEXWTWQISA-N 1 3 392.613 3.552 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCC(C)(C)O4)cc2)CC1 ZINC000731677624 861807545 /nfs/dbraw/zinc/80/75/45/861807545.db2.gz XVNXUNDGQABUHI-UHFFFAOYSA-N 1 3 393.575 3.827 20 0 GHADHO COC(=O)c1ccc(Cl)c(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000511166296 847657626 /nfs/dbraw/zinc/65/76/26/847657626.db2.gz QMLMCPKDHAHVJW-UHFFFAOYSA-N 1 3 387.911 3.870 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422703961 847775083 /nfs/dbraw/zinc/77/50/83/847775083.db2.gz JMKNNJSEGVDNLQ-GDBMZVCRSA-N 1 3 389.341 3.541 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422728206 847800955 /nfs/dbraw/zinc/80/09/55/847800955.db2.gz IVSJJAGMUCEEDY-ZBFHGGJFSA-N 1 3 394.441 3.677 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422799517 847828891 /nfs/dbraw/zinc/82/88/91/847828891.db2.gz XCRNVMRFHNBIHF-MRXNPFEDSA-N 1 3 381.520 3.783 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422869186 847859538 /nfs/dbraw/zinc/85/95/38/847859538.db2.gz WWEMHXYLGCROJH-XKDCRVNJSA-N 1 3 382.504 3.919 20 0 GHADHO [NH3+][C@@H]1CCCCC[C@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422887904 847871981 /nfs/dbraw/zinc/87/19/81/847871981.db2.gz BPRREEANNPRYEM-RTBURBONSA-N 1 3 380.374 3.663 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000582838246 848531115 /nfs/dbraw/zinc/53/11/15/848531115.db2.gz ZGCOGFPEGKAOIT-HXUWFJFHSA-N 1 3 394.563 3.602 20 0 GHADHO Clc1ccccc1CN1CCC(C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161443771 848670565 /nfs/dbraw/zinc/67/05/65/848670565.db2.gz KDEZGUOEUWUQJR-UHFFFAOYSA-N 1 3 378.944 3.827 20 0 GHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(OCc2nccn2C)cc1 ZINC000123629034 849169844 /nfs/dbraw/zinc/16/98/44/849169844.db2.gz MHQRWWHDHGLPTQ-GOSISDBHSA-N 1 3 378.520 3.912 20 0 GHADHO C[C@@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1cccc(-n2cnnn2)c1 ZINC000126414762 849386175 /nfs/dbraw/zinc/38/61/75/849386175.db2.gz AVZSRSJGTYKZKC-LJQANCHMSA-N 1 3 390.535 3.745 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000155338893 849506525 /nfs/dbraw/zinc/50/65/25/849506525.db2.gz FPSMMMYTIZSXQO-OALUTQOASA-N 1 3 390.597 3.545 20 0 GHADHO CN(C)C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423104784 849754841 /nfs/dbraw/zinc/75/48/41/849754841.db2.gz MRCZMQMJRIRVNA-RZUBCFFCSA-N 1 3 385.939 3.788 20 0 GHADHO CC(C)[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000278253254 849876278 /nfs/dbraw/zinc/87/62/78/849876278.db2.gz PKVJJYGKNCFHDT-OAQYLSRUSA-N 1 3 384.568 3.514 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000514564310 850010849 /nfs/dbraw/zinc/01/08/49/850010849.db2.gz FCROFHGGYGRCPF-LJQANCHMSA-N 1 3 392.613 3.648 20 0 GHADHO C[C@@H]1C[C@H](NCCNC(=O)CCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000424189075 850281351 /nfs/dbraw/zinc/28/13/51/850281351.db2.gz MTHPSURDLMWBIX-ZJSXRUAMSA-N 1 3 393.575 3.768 20 0 GHADHO C[C@@H]1C[C@H](NCCNC(=O)CCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000424189075 850281361 /nfs/dbraw/zinc/28/13/61/850281361.db2.gz MTHPSURDLMWBIX-ZJSXRUAMSA-N 1 3 393.575 3.768 20 0 GHADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000424301521 850342711 /nfs/dbraw/zinc/34/27/11/850342711.db2.gz XMWKLPNMJSUUOF-UONOGXRCSA-N 1 3 384.351 3.635 20 0 GHADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CN(Cc4ccccc4)CC34CCOCC4)C[C@H]2C1 ZINC000424348594 850378278 /nfs/dbraw/zinc/37/82/78/850378278.db2.gz LUPBDCIMVMBNHO-VHJOFQCFSA-N 1 3 398.591 3.708 20 0 GHADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167966136 850825209 /nfs/dbraw/zinc/82/52/09/850825209.db2.gz QTVMSFZPPCLMIH-QFMLELGNSA-N 1 3 377.573 3.627 20 0 GHADHO C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000487819745 850911791 /nfs/dbraw/zinc/91/17/91/850911791.db2.gz QPIUTXDZTSRXAU-AVRDEDQJSA-N 1 3 386.584 3.632 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCC(C)CC2)N2CCCC2)cc1 ZINC000514023259 851157749 /nfs/dbraw/zinc/15/77/49/851157749.db2.gz VTEXFQSYCRTFEN-JOCHJYFZSA-N 1 3 386.584 3.553 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccsc1 ZINC000514248125 851473403 /nfs/dbraw/zinc/47/34/03/851473403.db2.gz MJXSHISUXNCCBB-MJGOQNOKSA-N 1 3 380.602 3.551 20 0 GHADHO CC[C@]1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001167977277 851915548 /nfs/dbraw/zinc/91/55/48/851915548.db2.gz AZSISOWCKVMGNW-MFXLTOHQSA-N 1 3 377.573 3.771 20 0 GHADHO CC[C@]1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001167977277 851915552 /nfs/dbraw/zinc/91/55/52/851915552.db2.gz AZSISOWCKVMGNW-MFXLTOHQSA-N 1 3 377.573 3.771 20 0 GHADHO CC[C@]1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001167977277 851915558 /nfs/dbraw/zinc/91/55/58/851915558.db2.gz AZSISOWCKVMGNW-MFXLTOHQSA-N 1 3 377.573 3.771 20 0 GHADHO O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1)C1CCCCC1 ZINC001167977862 851931029 /nfs/dbraw/zinc/93/10/29/851931029.db2.gz GVQKGSSKOWALEA-CKSHBVQHSA-N 1 3 387.612 3.989 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000516162599 852204691 /nfs/dbraw/zinc/20/46/91/852204691.db2.gz QDCYNBMBONADOA-BVYCBKJFSA-N 1 3 386.584 3.632 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000506921253 852338190 /nfs/dbraw/zinc/33/81/90/852338190.db2.gz HRZPDOOCGFEZPL-PUHATCMVSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000506921253 852338200 /nfs/dbraw/zinc/33/82/00/852338200.db2.gz HRZPDOOCGFEZPL-PUHATCMVSA-N 1 3 398.595 3.557 20 0 GHADHO CCN(CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)CCC(F)(F)F ZINC000426037403 852481697 /nfs/dbraw/zinc/48/16/97/852481697.db2.gz UUAJUVBYDWMLOC-XUVXKRRUSA-N 1 3 383.502 3.761 20 0 GHADHO CCN(CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)CCC(F)(F)F ZINC000426037403 852481703 /nfs/dbraw/zinc/48/17/03/852481703.db2.gz UUAJUVBYDWMLOC-XUVXKRRUSA-N 1 3 383.502 3.761 20 0 GHADHO CCN(CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CCC(F)(F)F ZINC000426037403 852481705 /nfs/dbraw/zinc/48/17/05/852481705.db2.gz UUAJUVBYDWMLOC-XUVXKRRUSA-N 1 3 383.502 3.761 20 0 GHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000516391336 852505310 /nfs/dbraw/zinc/50/53/10/852505310.db2.gz FWANKRYUQPRPRJ-DEOSSOPVSA-N 1 3 391.559 3.852 20 0 GHADHO C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000438567084 852585804 /nfs/dbraw/zinc/58/58/04/852585804.db2.gz LCWITIGYPKNLMI-HXUWFJFHSA-N 1 3 383.511 3.781 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414954465 852873156 /nfs/dbraw/zinc/87/31/56/852873156.db2.gz SOEFNRGFMHMBJC-MDZLAQPJSA-N 1 3 377.838 3.806 20 0 GHADHO C[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167986271 853004524 /nfs/dbraw/zinc/00/45/24/853004524.db2.gz BZYHHRSHXKKDHM-YOFSQIOKSA-N 1 3 377.573 3.723 20 0 GHADHO C[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167986271 853004531 /nfs/dbraw/zinc/00/45/31/853004531.db2.gz BZYHHRSHXKKDHM-YOFSQIOKSA-N 1 3 377.573 3.723 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595412 853029416 /nfs/dbraw/zinc/02/94/16/853029416.db2.gz HHFPDQVGXABIJL-SESVDKBCSA-N 1 3 398.551 3.625 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595412 853029424 /nfs/dbraw/zinc/02/94/24/853029424.db2.gz HHFPDQVGXABIJL-SESVDKBCSA-N 1 3 398.551 3.625 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000519757798 853468553 /nfs/dbraw/zinc/46/85/53/853468553.db2.gz BWIVAKYBVNMUPH-OPYAIIAOSA-N 1 3 382.976 3.736 20 0 GHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000519757798 853468560 /nfs/dbraw/zinc/46/85/60/853468560.db2.gz BWIVAKYBVNMUPH-OPYAIIAOSA-N 1 3 382.976 3.736 20 0 GHADHO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414991796 853479766 /nfs/dbraw/zinc/47/97/66/853479766.db2.gz BEBVOAUSQMVYLL-AJSBUHFISA-N 1 3 388.502 3.895 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520093961 853827301 /nfs/dbraw/zinc/82/73/01/853827301.db2.gz PWZGJMADLHCUST-TZIWHRDSSA-N 1 3 389.559 3.809 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520093961 853827304 /nfs/dbraw/zinc/82/73/04/853827304.db2.gz PWZGJMADLHCUST-TZIWHRDSSA-N 1 3 389.559 3.809 20 0 GHADHO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167989149 853917910 /nfs/dbraw/zinc/91/79/10/853917910.db2.gz YAGABBSPTWZFLW-GYJUQIRSSA-N 1 3 389.584 3.771 20 0 GHADHO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167989149 853917915 /nfs/dbraw/zinc/91/79/15/853917915.db2.gz YAGABBSPTWZFLW-GYJUQIRSSA-N 1 3 389.584 3.771 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccsc1 ZINC000520200526 853962738 /nfs/dbraw/zinc/96/27/38/853962738.db2.gz YHMXSGKFLLZPDK-GOSISDBHSA-N 1 3 380.602 3.647 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccsc1 ZINC000520200526 853962741 /nfs/dbraw/zinc/96/27/41/853962741.db2.gz YHMXSGKFLLZPDK-GOSISDBHSA-N 1 3 380.602 3.647 20 0 GHADHO Cc1ccc(Br)cc1[C@H](C)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000623926747 862518523 /nfs/dbraw/zinc/51/85/23/862518523.db2.gz OMHKYBXLFIRTAD-HNNXBMFYSA-N 1 3 392.341 3.944 20 0 GHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000112545921 854246570 /nfs/dbraw/zinc/24/65/70/854246570.db2.gz NTHBXAREDQFXJA-JXFKEZNVSA-N 1 3 385.939 3.888 20 0 GHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000112545921 854246576 /nfs/dbraw/zinc/24/65/76/854246576.db2.gz NTHBXAREDQFXJA-JXFKEZNVSA-N 1 3 385.939 3.888 20 0 GHADHO CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995033 854429416 /nfs/dbraw/zinc/42/94/16/854429416.db2.gz UWPSKORBDKGUQV-CBQMWWCCSA-N 1 3 391.600 3.971 20 0 GHADHO CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995033 854429427 /nfs/dbraw/zinc/42/94/27/854429427.db2.gz UWPSKORBDKGUQV-CBQMWWCCSA-N 1 3 391.600 3.971 20 0 GHADHO C[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995033 854429437 /nfs/dbraw/zinc/42/94/37/854429437.db2.gz UWPSKORBDKGUQV-CBQMWWCCSA-N 1 3 391.600 3.971 20 0 GHADHO C[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995033 854429442 /nfs/dbraw/zinc/42/94/42/854429442.db2.gz UWPSKORBDKGUQV-CBQMWWCCSA-N 1 3 391.600 3.971 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(CCN(C)C)CC2CCCCC2)CC1 ZINC000073033008 854733283 /nfs/dbraw/zinc/73/32/83/854733283.db2.gz XTOJODRNVXUUHP-UHFFFAOYSA-N 1 3 386.584 3.577 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CCC12CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168399370 855350958 /nfs/dbraw/zinc/35/09/58/855350958.db2.gz ZVNJFMPWMGMTAU-IBGZPJMESA-N 1 3 377.573 3.630 20 0 GHADHO Cc1c2ccccc2oc1[C@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180997928 862711121 /nfs/dbraw/zinc/71/11/21/862711121.db2.gz HOQTVTPXOREJKW-KRWDZBQOSA-N 1 3 379.504 3.883 20 0 GHADHO Cc1cc2c(cc1C)[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCCO2 ZINC000180997333 862711627 /nfs/dbraw/zinc/71/16/27/862711627.db2.gz XAZJFCHLASEHMY-JOCHJYFZSA-N 1 3 395.547 3.598 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@](C)(O)C(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000905128318 856177695 /nfs/dbraw/zinc/17/76/95/856177695.db2.gz QUYDVRCUYFZIMW-FRFSOERESA-N 1 3 380.401 3.694 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@](C)(O)C(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000905128318 856177700 /nfs/dbraw/zinc/17/77/00/856177700.db2.gz QUYDVRCUYFZIMW-FRFSOERESA-N 1 3 380.401 3.694 20 0 GHADHO CCOc1c(Cl)cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000067453084 856282442 /nfs/dbraw/zinc/28/24/42/856282442.db2.gz GBODYWAEZINYOJ-HZPDHXFCSA-N 1 3 384.948 3.726 20 0 GHADHO C[NH+](C)CCCOc1ccc(CNCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000280992121 862781055 /nfs/dbraw/zinc/78/10/55/862781055.db2.gz VGBXVMKRTVWZLX-UHFFFAOYSA-N 1 3 399.926 3.541 20 0 GHADHO COc1ccc(-c2ccccc2C)cc1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000573723744 856454126 /nfs/dbraw/zinc/45/41/26/856454126.db2.gz YVZJOZYALJUSBK-OAQYLSRUSA-N 1 3 380.532 3.858 20 0 GHADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508905499 856586554 /nfs/dbraw/zinc/58/65/54/856586554.db2.gz LKNNCSAHNSVBKU-OFNKIYASSA-N 1 3 394.563 3.595 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000592850659 857109472 /nfs/dbraw/zinc/10/94/72/857109472.db2.gz JARUHSQUGDTZFM-MSOLQXFVSA-N 1 3 387.490 3.791 20 0 GHADHO C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000441994916 857423168 /nfs/dbraw/zinc/42/31/68/857423168.db2.gz ABIOEEPDCWPADW-YUVSOPLDSA-N 1 3 385.596 3.566 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000077512668 857569843 /nfs/dbraw/zinc/56/98/43/857569843.db2.gz UZOIPNUFODWWHH-IBGZPJMESA-N 1 3 380.536 3.877 20 0 GHADHO Cc1cc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568531 857870772 /nfs/dbraw/zinc/87/07/72/857870772.db2.gz SLFJGAXURMTENX-UGKGYDQZSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1cc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568531 857870780 /nfs/dbraw/zinc/87/07/80/857870780.db2.gz SLFJGAXURMTENX-UGKGYDQZSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568531 857870788 /nfs/dbraw/zinc/87/07/88/857870788.db2.gz SLFJGAXURMTENX-UGKGYDQZSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000067507399 858035930 /nfs/dbraw/zinc/03/59/30/858035930.db2.gz UOSXPQAODUNLAH-HSZRJFAPSA-N 1 3 394.563 3.562 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccc(Cl)cc1 ZINC000521622565 858164921 /nfs/dbraw/zinc/16/49/21/858164921.db2.gz YTUOBWDSJZHOSN-HXUWFJFHSA-N 1 3 398.938 3.676 20 0 GHADHO CN1CCN(CC[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1(C)C ZINC000442879547 858200721 /nfs/dbraw/zinc/20/07/21/858200721.db2.gz WPONYTWXECPSCF-INIZCTEOSA-N 1 3 386.403 3.577 20 0 GHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1OCc1ccccc1 ZINC000442880897 858202235 /nfs/dbraw/zinc/20/22/35/858202235.db2.gz ZOMXSQGDLUWTQS-FQEVSTJZSA-N 1 3 381.564 3.942 20 0 GHADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC000171038163 863003825 /nfs/dbraw/zinc/00/38/25/863003825.db2.gz DNRGDRZDAKMDIW-IBGZPJMESA-N 1 3 380.602 3.647 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443065057 858333465 /nfs/dbraw/zinc/33/34/65/858333465.db2.gz ZIJYHYJQNDGDTQ-OALUTQOASA-N 1 3 381.520 3.653 20 0 GHADHO COc1cc(-c2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)ccc1OCC[NH+](C)C ZINC000443196240 858461111 /nfs/dbraw/zinc/46/11/11/858461111.db2.gz KTCYUNJGGHMQST-XHSDSOJGSA-N 1 3 388.512 3.619 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000483298779 859279029 /nfs/dbraw/zinc/27/90/29/859279029.db2.gz WDHXEIMZVMLSTK-UZLBHIALSA-N 1 3 389.490 3.683 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000483298779 859279131 /nfs/dbraw/zinc/27/91/31/859279131.db2.gz WDHXEIMZVMLSTK-UZLBHIALSA-N 1 3 389.490 3.683 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cn(C)nc3C(C)(C)C)C2)ccn1 ZINC000856558220 881416207 /nfs/dbraw/zinc/41/62/07/881416207.db2.gz CWUGDNYKMPTCHS-OAQYLSRUSA-N 1 3 399.583 3.606 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cn(C)nc3C(C)(C)C)C2)ccn1 ZINC000856558220 881416304 /nfs/dbraw/zinc/41/63/04/881416304.db2.gz CWUGDNYKMPTCHS-OAQYLSRUSA-N 1 3 399.583 3.606 20 0 GHADHO c1nc(C2CC2)c(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000486934438 859534063 /nfs/dbraw/zinc/53/40/63/859534063.db2.gz BVPSOYVVHLWRKO-UHFFFAOYSA-N 1 3 384.593 3.708 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735919 859575408 /nfs/dbraw/zinc/57/54/08/859575408.db2.gz YXHKACWOMRZXOZ-HYBUGGRVSA-N 1 3 377.576 3.586 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N2CCCC2)cc1 ZINC000483752069 859589204 /nfs/dbraw/zinc/58/92/04/859589204.db2.gz DKEGUZAUPZAETI-HSZRJFAPSA-N 1 3 398.595 3.838 20 0 GHADHO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000543429997 859690039 /nfs/dbraw/zinc/69/00/39/859690039.db2.gz WRRVOAJARZIXAX-IRFCIJBXSA-N 1 3 396.531 3.800 20 0 GHADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000466525426 859852057 /nfs/dbraw/zinc/85/20/57/859852057.db2.gz HZDWBDWWPBKHBC-UGKGYDQZSA-N 1 3 398.595 3.746 20 0 GHADHO Clc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)c(-n2cncn2)c1 ZINC000474467444 860166174 /nfs/dbraw/zinc/16/61/74/860166174.db2.gz FDSXUOOJOZQGEW-UHFFFAOYSA-N 1 3 381.911 3.675 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)C[C@H](C)N1Cc1ccccc1 ZINC001168035758 860170096 /nfs/dbraw/zinc/17/00/96/860170096.db2.gz UWWHCRZTKAFSIX-XEMDLRDOSA-N 1 3 379.504 3.549 20 0 GHADHO Cc1cc(CO)cc(C)c1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000922558986 860177333 /nfs/dbraw/zinc/17/73/33/860177333.db2.gz AGRXJVXSFHRLRR-UHFFFAOYSA-N 1 3 381.564 3.616 20 0 GHADHO Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(C(C)C)cc1Cl ZINC000429026890 860744294 /nfs/dbraw/zinc/74/42/94/860744294.db2.gz AINANYIREGOGCJ-UWJYYQICSA-N 1 3 380.960 3.539 20 0 GHADHO Cc1cc(OC[C@@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(C(C)C)cc1Cl ZINC000429026890 860744301 /nfs/dbraw/zinc/74/43/01/860744301.db2.gz AINANYIREGOGCJ-UWJYYQICSA-N 1 3 380.960 3.539 20 0 GHADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603901 881579068 /nfs/dbraw/zinc/57/90/68/881579068.db2.gz GYCZEKDIPDVGDB-DNQXCXABSA-N 1 3 397.563 3.633 20 0 GHADHO CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603901 881579090 /nfs/dbraw/zinc/57/90/90/881579090.db2.gz GYCZEKDIPDVGDB-DNQXCXABSA-N 1 3 397.563 3.633 20 0 GHADHO CO[C@@H](C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)c1ccccc1 ZINC000856604355 881581120 /nfs/dbraw/zinc/58/11/20/881581120.db2.gz NEMPDZYMDXOOML-GOTSBHOMSA-N 1 3 383.536 3.763 20 0 GHADHO CO[C@@H](C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)c1ccccc1 ZINC000856604355 881581136 /nfs/dbraw/zinc/58/11/36/881581136.db2.gz NEMPDZYMDXOOML-GOTSBHOMSA-N 1 3 383.536 3.763 20 0 GHADHO Cc1cnc(CC[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(C)c1 ZINC000856606984 881585245 /nfs/dbraw/zinc/58/52/45/881585245.db2.gz RUWNGWNZKYGSLS-JOCHJYFZSA-N 1 3 382.552 3.629 20 0 GHADHO Cc1cnc(CC[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(C)c1 ZINC000856606984 881585254 /nfs/dbraw/zinc/58/52/54/881585254.db2.gz RUWNGWNZKYGSLS-JOCHJYFZSA-N 1 3 382.552 3.629 20 0 GHADHO CO[C@@H](C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCC1 ZINC000856607165 881585793 /nfs/dbraw/zinc/58/57/93/881585793.db2.gz XGEOEJHPHOQRMP-VXKWHMMOSA-N 1 3 375.557 3.580 20 0 GHADHO CO[C@@H](C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCC1 ZINC000856607165 881585799 /nfs/dbraw/zinc/58/57/99/881585799.db2.gz XGEOEJHPHOQRMP-VXKWHMMOSA-N 1 3 375.557 3.580 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)C1 ZINC001168528892 861001591 /nfs/dbraw/zinc/00/15/91/861001591.db2.gz OIPKUXBAUVQHLL-JONQDZQNSA-N 1 3 393.494 3.779 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1N(C)C ZINC000182228077 863156189 /nfs/dbraw/zinc/15/61/89/863156189.db2.gz DPSXHSLUIMJRME-DYESRHJHSA-N 1 3 385.527 3.699 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1N(C)C ZINC000182228077 863156195 /nfs/dbraw/zinc/15/61/95/863156195.db2.gz DPSXHSLUIMJRME-DYESRHJHSA-N 1 3 385.527 3.699 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000482551177 863296516 /nfs/dbraw/zinc/29/65/16/863296516.db2.gz BEOSJUBQUAHZLI-AZUAARDMSA-N 1 3 381.520 3.717 20 0 GHADHO C[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000667621070 864060443 /nfs/dbraw/zinc/06/04/43/864060443.db2.gz ZDSLPUBMJLIRFM-LADGPHEKSA-N 1 3 380.532 3.808 20 0 GHADHO C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000667621070 864060461 /nfs/dbraw/zinc/06/04/61/864060461.db2.gz ZDSLPUBMJLIRFM-LADGPHEKSA-N 1 3 380.532 3.808 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000475120248 864222684 /nfs/dbraw/zinc/22/26/84/864222684.db2.gz QSZWKOKAUGKNLT-QHCPKHFHSA-N 1 3 394.563 3.554 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000475120248 864222698 /nfs/dbraw/zinc/22/26/98/864222698.db2.gz QSZWKOKAUGKNLT-QHCPKHFHSA-N 1 3 394.563 3.554 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000734510738 864268752 /nfs/dbraw/zinc/26/87/52/864268752.db2.gz YWZGYJVALZTBEM-KDOFPFPSSA-N 1 3 390.597 3.843 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000734510738 864268764 /nfs/dbraw/zinc/26/87/64/864268764.db2.gz YWZGYJVALZTBEM-KDOFPFPSSA-N 1 3 390.597 3.843 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCN(C(C)=O)c3ccccc32)cc1 ZINC000621749543 864373890 /nfs/dbraw/zinc/37/38/90/864373890.db2.gz ABBPGGPBBQOLSP-QHCPKHFHSA-N 1 3 395.547 3.995 20 0 GHADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000480280893 864420044 /nfs/dbraw/zinc/42/00/44/864420044.db2.gz URHSWPDJVYPUAM-KRWDZBQOSA-N 1 3 387.549 3.505 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480346287 864531443 /nfs/dbraw/zinc/53/14/43/864531443.db2.gz YLQGJVLCFFFIBB-INIZCTEOSA-N 1 3 377.479 3.588 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000163639761 864546440 /nfs/dbraw/zinc/54/64/40/864546440.db2.gz BAUNAXSOIWQPJP-JOCHJYFZSA-N 1 3 384.520 3.647 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000163639761 864546449 /nfs/dbraw/zinc/54/64/49/864546449.db2.gz BAUNAXSOIWQPJP-JOCHJYFZSA-N 1 3 384.520 3.647 20 0 GHADHO CCCN1CCC([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 ZINC000133069637 881910633 /nfs/dbraw/zinc/91/06/33/881910633.db2.gz RVKNQLXWJXBSQT-FQEVSTJZSA-N 1 3 399.501 3.543 20 0 GHADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000567642485 865987332 /nfs/dbraw/zinc/98/73/32/865987332.db2.gz JBLAUOWBXSUWJW-SIKLNZKXSA-N 1 3 399.922 3.823 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000667850031 866097018 /nfs/dbraw/zinc/09/70/18/866097018.db2.gz YGBZUQVKTQGYBN-WWPVKYPJSA-N 1 3 390.531 3.712 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000667850031 866097035 /nfs/dbraw/zinc/09/70/35/866097035.db2.gz YGBZUQVKTQGYBN-WWPVKYPJSA-N 1 3 390.531 3.712 20 0 GHADHO CN1Cc2ccccc2[C@@H](NC2CCC([N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000623235866 866117361 /nfs/dbraw/zinc/11/73/61/866117361.db2.gz DWVGWGJROUNABS-YDPRHXJPSA-N 1 3 377.532 3.733 20 0 GHADHO CN1Cc2ccccc2[C@@H](NC2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000623235866 866117383 /nfs/dbraw/zinc/11/73/83/866117383.db2.gz DWVGWGJROUNABS-YDPRHXJPSA-N 1 3 377.532 3.733 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)N(C)C)cc1 ZINC000534282687 866460882 /nfs/dbraw/zinc/46/08/82/866460882.db2.gz DHBRPNKFWFZVTI-JOCHJYFZSA-N 1 3 386.584 3.552 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)CC1 ZINC000552906282 866471714 /nfs/dbraw/zinc/47/17/14/866471714.db2.gz VFQQCMZWNDLRCM-UHFFFAOYSA-N 1 3 387.543 3.513 20 0 GHADHO C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000479064201 867082278 /nfs/dbraw/zinc/08/22/78/867082278.db2.gz PWPQYJXBXYHAAI-KDOFPFPSSA-N 1 3 381.358 3.509 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3ccccc3C)CC2)CC1 ZINC000553355898 867256535 /nfs/dbraw/zinc/25/65/35/867256535.db2.gz MKXIQQBHNBSMNN-QHCPKHFHSA-N 1 3 383.580 3.855 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](Cc2cccc(OC)c2)c2ccccc2)CC1 ZINC000154245838 867319399 /nfs/dbraw/zinc/31/93/99/867319399.db2.gz ATOBVXBNGCPOEA-XMMPIXPASA-N 1 3 381.564 3.596 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620772833 867462474 /nfs/dbraw/zinc/46/24/74/867462474.db2.gz PGEWNRPTZSTHOQ-GGAORHGYSA-N 1 3 394.563 3.501 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620772833 867462483 /nfs/dbraw/zinc/46/24/83/867462483.db2.gz PGEWNRPTZSTHOQ-GGAORHGYSA-N 1 3 394.563 3.501 20 0 GHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000553479560 867488246 /nfs/dbraw/zinc/48/82/46/867488246.db2.gz XKCJDLGSSXHAKG-FPOVZHCZSA-N 1 3 398.551 3.578 20 0 GHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000553479560 867488255 /nfs/dbraw/zinc/48/82/55/867488255.db2.gz XKCJDLGSSXHAKG-FPOVZHCZSA-N 1 3 398.551 3.578 20 0 GHADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000479342223 867625685 /nfs/dbraw/zinc/62/56/85/867625685.db2.gz AKTYVKPEJBLZRL-HSZRJFAPSA-N 1 3 390.531 3.980 20 0 GHADHO CC(=O)NCCc1ccc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444949 867814464 /nfs/dbraw/zinc/81/44/64/867814464.db2.gz KNFHDBFVWQWWJQ-WMZHIEFXSA-N 1 3 379.548 3.538 20 0 GHADHO CC(=O)NCCc1ccc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444949 867814467 /nfs/dbraw/zinc/81/44/67/867814467.db2.gz KNFHDBFVWQWWJQ-WMZHIEFXSA-N 1 3 379.548 3.538 20 0 GHADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000523941698 868310309 /nfs/dbraw/zinc/31/03/09/868310309.db2.gz WTQIEMMYFOOFSK-JOCHJYFZSA-N 1 3 386.584 3.553 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)N2CCCC2)cc1 ZINC000158120963 868865417 /nfs/dbraw/zinc/86/54/17/868865417.db2.gz XNENWPJHCQRENQ-PKTZIBPZSA-N 1 3 398.595 3.792 20 0 GHADHO CC[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(Cl)s1 ZINC000539690331 869611704 /nfs/dbraw/zinc/61/17/04/869611704.db2.gz SZIXDVXGRWKURC-IRXDYDNUSA-N 1 3 393.984 3.731 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)N2CCCC2)o1 ZINC000060354894 882434779 /nfs/dbraw/zinc/43/47/79/882434779.db2.gz UFBLWTIFMUVSMQ-RTWAWAEBSA-N 1 3 381.520 3.506 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)N2CCCC2)o1 ZINC000060354894 882434785 /nfs/dbraw/zinc/43/47/85/882434785.db2.gz UFBLWTIFMUVSMQ-RTWAWAEBSA-N 1 3 381.520 3.506 20 0 GHADHO CN(Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022994 870851743 /nfs/dbraw/zinc/85/17/43/870851743.db2.gz YIEUNBCNRAANBX-RPWUZVMVSA-N 1 3 391.559 3.599 20 0 GHADHO CN(Cc1ccccc1)C[C@H](C[N@H+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022994 870851755 /nfs/dbraw/zinc/85/17/55/870851755.db2.gz YIEUNBCNRAANBX-RPWUZVMVSA-N 1 3 391.559 3.599 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000463137392 870985507 /nfs/dbraw/zinc/98/55/07/870985507.db2.gz QPOLIDRTTWBIDG-OFVILXPXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(CN3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137392 870985518 /nfs/dbraw/zinc/98/55/18/870985518.db2.gz QPOLIDRTTWBIDG-OFVILXPXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(CN3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137392 870985528 /nfs/dbraw/zinc/98/55/28/870985528.db2.gz QPOLIDRTTWBIDG-OFVILXPXSA-N 1 3 393.575 3.662 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134021 871220618 /nfs/dbraw/zinc/22/06/18/871220618.db2.gz PHISCOOOPPYQGP-WOZUAGRISA-N 1 3 375.507 3.849 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134021 871220637 /nfs/dbraw/zinc/22/06/37/871220637.db2.gz PHISCOOOPPYQGP-WOZUAGRISA-N 1 3 375.507 3.849 20 0 GHADHO CCOC(=O)N1CCC[C@H](N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)CC1 ZINC001169681839 871750388 /nfs/dbraw/zinc/75/03/88/871750388.db2.gz KJNZZVWQJSIEAF-IBGZPJMESA-N 1 3 396.535 3.676 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000462188679 871752322 /nfs/dbraw/zinc/75/23/22/871752322.db2.gz LLMWVNFPNSSEQF-XXBNENTESA-N 1 3 379.548 3.779 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CCO1 ZINC000540733584 872022349 /nfs/dbraw/zinc/02/23/49/872022349.db2.gz TVLVWSUGYWZATN-OFNKIYASSA-N 1 3 379.548 3.666 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000236813824 882622268 /nfs/dbraw/zinc/62/22/68/882622268.db2.gz DOJGFOYYFVWEPM-QFIPXVFZSA-N 1 3 392.591 3.835 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000122727331 882677961 /nfs/dbraw/zinc/67/79/61/882677961.db2.gz QJGIBBVYFFNESW-HOTGVXAUSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000122727331 882677970 /nfs/dbraw/zinc/67/79/70/882677970.db2.gz QJGIBBVYFFNESW-HOTGVXAUSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000122727331 882677977 /nfs/dbraw/zinc/67/79/77/882677977.db2.gz QJGIBBVYFFNESW-HOTGVXAUSA-N 1 3 381.948 3.920 20 0 GHADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000122885718 882699392 /nfs/dbraw/zinc/69/93/92/882699392.db2.gz DVXZSJVEFHJHCK-GOSISDBHSA-N 1 3 387.568 3.720 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(C(F)F)cc3)c2)C1 ZINC000527518333 873238244 /nfs/dbraw/zinc/23/82/44/873238244.db2.gz JYDSCQCGAGKVAD-FQEVSTJZSA-N 1 3 387.474 3.611 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(C(F)F)cc3)c2)C1 ZINC000527518333 873238253 /nfs/dbraw/zinc/23/82/53/873238253.db2.gz JYDSCQCGAGKVAD-FQEVSTJZSA-N 1 3 387.474 3.611 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000541547845 873846425 /nfs/dbraw/zinc/84/64/25/873846425.db2.gz XSMAPJPKFUYITD-RDPSFJRHSA-N 1 3 379.548 3.666 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000448838182 874046175 /nfs/dbraw/zinc/04/61/75/874046175.db2.gz VVPHBNHWUOQIDW-DHIUTWEWSA-N 1 3 383.580 3.635 20 0 GHADHO CCC1(N2CCC2)CC[NH+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001197890891 874092425 /nfs/dbraw/zinc/09/24/25/874092425.db2.gz HYDYSOCMAJWKMB-IBGZPJMESA-N 1 3 379.589 3.974 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000541820910 874335864 /nfs/dbraw/zinc/33/58/64/874335864.db2.gz KUMGRVVQTIMWDX-KNQAVFIVSA-N 1 3 386.584 3.504 20 0 GHADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000541904567 874523855 /nfs/dbraw/zinc/52/38/55/874523855.db2.gz SJSOPARHRYQNMM-NQRVTCLYSA-N 1 3 376.548 3.533 20 0 GHADHO CN(CCN1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000541982812 874700801 /nfs/dbraw/zinc/70/08/01/874700801.db2.gz BLEMBVPQDLMAEM-HSZRJFAPSA-N 1 3 377.576 3.541 20 0 GHADHO CCN1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542106824 874968468 /nfs/dbraw/zinc/96/84/68/874968468.db2.gz VQVGKPJQQSEERP-PZJWPPBQSA-N 1 3 381.486 3.703 20 0 GHADHO Cn1nccc1[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449596154 875100262 /nfs/dbraw/zinc/10/02/62/875100262.db2.gz WYMOMJOOJNZZEB-AZUAARDMSA-N 1 3 376.589 3.909 20 0 GHADHO O[C@H](C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)CN1CCCC1 ZINC000776034096 875252102 /nfs/dbraw/zinc/25/21/02/875252102.db2.gz PUIYUBACLUMLMT-RHSMWYFYSA-N 1 3 376.850 3.856 20 0 GHADHO Cn1ccnc1[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449778339 875382093 /nfs/dbraw/zinc/38/20/93/875382093.db2.gz BKLZNUGGZAPXCN-MOPGFXCFSA-N 1 3 376.589 3.909 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000173402535 876364678 /nfs/dbraw/zinc/36/46/78/876364678.db2.gz JRHKPUNZTKWSNP-CEXWTWQISA-N 1 3 392.613 3.645 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000173402535 876364691 /nfs/dbraw/zinc/36/46/91/876364691.db2.gz JRHKPUNZTKWSNP-CEXWTWQISA-N 1 3 392.613 3.645 20 0 GHADHO C[C@H](O)C[C@@H]1CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620812 876665722 /nfs/dbraw/zinc/66/57/22/876665722.db2.gz ZCLXUSXPGLOUJC-FHQLIMNDSA-N 1 3 394.987 3.811 20 0 GHADHO C[C@H](O)C[C@@H]1CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620812 876665728 /nfs/dbraw/zinc/66/57/28/876665728.db2.gz ZCLXUSXPGLOUJC-FHQLIMNDSA-N 1 3 394.987 3.811 20 0 GHADHO CC[C@@H](NCc1cc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)ccc1F)[C@H]1CCCO1 ZINC000450725907 876852386 /nfs/dbraw/zinc/85/23/86/876852386.db2.gz JOFZSVRBJPVGSX-LNRXMEIDSA-N 1 3 378.532 3.920 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2)CC1 ZINC000174194975 876892641 /nfs/dbraw/zinc/89/26/41/876892641.db2.gz GCDYMTQTDBLFGE-GMAHTHKFSA-N 1 3 398.595 3.587 20 0 GHADHO CC(C)CN1CCC([NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850423085 876905854 /nfs/dbraw/zinc/90/58/54/876905854.db2.gz NCJLWSRVUWZZKM-IBGZPJMESA-N 1 3 397.485 3.732 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786789789 876941706 /nfs/dbraw/zinc/94/17/06/876941706.db2.gz OAVYQHYSZRYAOI-LJQANCHMSA-N 1 3 392.547 3.840 20 0 GHADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786907281 877020507 /nfs/dbraw/zinc/02/05/07/877020507.db2.gz VSKZEKOWNMTDJV-CNNODRBYSA-N 1 3 392.547 3.777 20 0 GHADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786907281 877020526 /nfs/dbraw/zinc/02/05/26/877020526.db2.gz VSKZEKOWNMTDJV-CNNODRBYSA-N 1 3 392.547 3.777 20 0 GHADHO Brc1ccccc1CN1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666995061 877424243 /nfs/dbraw/zinc/42/42/43/877424243.db2.gz BOHARTGMWXEXGC-GOSISDBHSA-N 1 3 392.385 3.678 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455513 877611278 /nfs/dbraw/zinc/61/12/78/877611278.db2.gz NZHFUKOYQZDVSH-RHSMWYFYSA-N 1 3 378.442 3.797 20 0 GHADHO CCC[NH+](CCC)CCCN1CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168446537 877734786 /nfs/dbraw/zinc/73/47/86/877734786.db2.gz RKOZWVAORDAJEK-HSZRJFAPSA-N 1 3 375.576 3.813 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551796077 877846549 /nfs/dbraw/zinc/84/65/49/877846549.db2.gz LJXAERLXWPYAPK-UXHICEINSA-N 1 3 383.502 3.959 20 0 GHADHO C[C@H]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000175758957 877891595 /nfs/dbraw/zinc/89/15/95/877891595.db2.gz UIGZDWBWFGUMQR-IBGZPJMESA-N 1 3 386.584 3.555 20 0 GHADHO CC1(C)CC(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC(C)(C)[NH2+]1 ZINC000477644010 877969241 /nfs/dbraw/zinc/96/92/41/877969241.db2.gz XVHSSVHBPJYYJT-GOSISDBHSA-N 1 3 393.522 3.569 20 0 GHADHO CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176009731 878034889 /nfs/dbraw/zinc/03/48/89/878034889.db2.gz AIDOWAMHQIAURA-QHCPKHFHSA-N 1 3 398.595 3.699 20 0 GHADHO CN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000245685710 878373243 /nfs/dbraw/zinc/37/32/43/878373243.db2.gz WFGDOACGQMATGL-FGZHOGPDSA-N 1 3 384.568 3.528 20 0 GHADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000616077558 878480811 /nfs/dbraw/zinc/48/08/11/878480811.db2.gz LZFKIHARWHYYGI-UHFFFAOYSA-N 1 3 392.563 3.554 20 0 GHADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000616077558 878480816 /nfs/dbraw/zinc/48/08/16/878480816.db2.gz LZFKIHARWHYYGI-UHFFFAOYSA-N 1 3 392.563 3.554 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852753454 878579332 /nfs/dbraw/zinc/57/93/32/878579332.db2.gz BHCAWGNKZROXBA-FPOVZHCZSA-N 1 3 398.595 3.716 20 0 GHADHO O[C@H](CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120225 878827850 /nfs/dbraw/zinc/82/78/50/878827850.db2.gz HPNZUPPSKQQAMO-DENIHFKCSA-N 1 3 386.486 3.890 20 0 GHADHO O[C@H](CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120225 878827860 /nfs/dbraw/zinc/82/78/60/878827860.db2.gz HPNZUPPSKQQAMO-DENIHFKCSA-N 1 3 386.486 3.890 20 0 GHADHO O[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120225 878827870 /nfs/dbraw/zinc/82/78/70/878827870.db2.gz HPNZUPPSKQQAMO-DENIHFKCSA-N 1 3 386.486 3.890 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000667054106 878961461 /nfs/dbraw/zinc/96/14/61/878961461.db2.gz JHJYWMWJFDCULI-NBHGPNQESA-N 1 3 376.541 3.591 20 0 GHADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000111386270 879081445 /nfs/dbraw/zinc/08/14/45/879081445.db2.gz ZDBJMFWFRKEJHM-MRXNPFEDSA-N 1 3 385.533 3.883 20 0 GHADHO OC[C@H]1CCC[N@H+]1CCCCNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000111386270 879081464 /nfs/dbraw/zinc/08/14/64/879081464.db2.gz ZDBJMFWFRKEJHM-MRXNPFEDSA-N 1 3 385.533 3.883 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000246198910 879185272 /nfs/dbraw/zinc/18/52/72/879185272.db2.gz MWFAIHLEAPSLJL-IFMALSPDSA-N 1 3 386.584 3.505 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000246198910 879185280 /nfs/dbraw/zinc/18/52/80/879185280.db2.gz MWFAIHLEAPSLJL-IFMALSPDSA-N 1 3 386.584 3.505 20 0 GHADHO CC[NH+]1CCC(CCNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000461212539 879358071 /nfs/dbraw/zinc/35/80/71/879358071.db2.gz LWPNMNXWZNSESS-FQEVSTJZSA-N 1 3 385.596 3.568 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000246395411 879510299 /nfs/dbraw/zinc/51/02/99/879510299.db2.gz LFUYCEICXPVSLX-ZOCIIQOWSA-N 1 3 381.358 3.868 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)[C@@H](C)C1 ZINC000246489110 879614089 /nfs/dbraw/zinc/61/40/89/879614089.db2.gz RLOYLQARMMUYQB-BVSLBCMMSA-N 1 3 386.584 3.504 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)[C@@H](C)C1 ZINC000246489110 879614096 /nfs/dbraw/zinc/61/40/96/879614096.db2.gz RLOYLQARMMUYQB-BVSLBCMMSA-N 1 3 386.584 3.504 20 0 GHADHO Cc1nc2ccc(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)cc2s1 ZINC000494194711 880007971 /nfs/dbraw/zinc/00/79/71/880007971.db2.gz JKWBAEZAPBGFNX-HXUWFJFHSA-N 1 3 381.545 3.851 20 0 GHADHO Cc1nc2ccc(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc2s1 ZINC000494194711 880007987 /nfs/dbraw/zinc/00/79/87/880007987.db2.gz JKWBAEZAPBGFNX-HXUWFJFHSA-N 1 3 381.545 3.851 20 0 GHADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1ccccc1F ZINC000453066834 880387478 /nfs/dbraw/zinc/38/74/78/880387478.db2.gz LJHCRRLYBMCZQU-WWNPGLIZSA-N 1 3 395.522 3.588 20 0 GHADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1ccccc1F ZINC000453066834 880387487 /nfs/dbraw/zinc/38/74/87/880387487.db2.gz LJHCRRLYBMCZQU-WWNPGLIZSA-N 1 3 395.522 3.588 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCC(c3nc(C)no3)CC2)CC1 ZINC000531784824 880477266 /nfs/dbraw/zinc/47/72/66/880477266.db2.gz QOYLRXKVAYHJGL-UHFFFAOYSA-N 1 3 397.567 3.726 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](c2ccsc2)N(C)C)CC1 ZINC000531785776 880480615 /nfs/dbraw/zinc/48/06/15/880480615.db2.gz HLIODUWTKHVJLT-JOCHJYFZSA-N 1 3 386.609 3.673 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000531948407 880805690 /nfs/dbraw/zinc/80/56/90/880805690.db2.gz YEHPXNCPAFWKRF-IRLDBZIGSA-N 1 3 377.617 3.654 20 0 GHADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000776865035 880912209 /nfs/dbraw/zinc/91/22/09/880912209.db2.gz NIIXQECWPBXSDM-JKBKZWBZSA-N 1 3 379.589 3.876 20 0 GHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000187480877 881208894 /nfs/dbraw/zinc/20/88/94/881208894.db2.gz TZHKLGGTWDUUEJ-JOCHJYFZSA-N 1 3 388.600 3.516 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000074001903 881214869 /nfs/dbraw/zinc/21/48/69/881214869.db2.gz MDQGJNBLIWLKGF-URVUXULASA-N 1 3 386.584 3.585 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000074001903 881214882 /nfs/dbraw/zinc/21/48/82/881214882.db2.gz MDQGJNBLIWLKGF-URVUXULASA-N 1 3 386.584 3.585 20 0 GHADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000477107090 883724691 /nfs/dbraw/zinc/72/46/91/883724691.db2.gz BXKDPKBZQGBXJN-AZUAARDMSA-N 1 3 397.567 3.744 20 0 GHADHO Fc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c(Cl)c1 ZINC001211911560 883812924 /nfs/dbraw/zinc/81/29/24/883812924.db2.gz RMGXQAJTELYMFD-KRWDZBQOSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c(Cl)c1 ZINC001211911560 883812935 /nfs/dbraw/zinc/81/29/35/883812935.db2.gz RMGXQAJTELYMFD-KRWDZBQOSA-N 1 3 398.869 3.718 20 0 GHADHO Cc1cccc(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000130095025 884167591 /nfs/dbraw/zinc/16/75/91/884167591.db2.gz HULWFPBQZGOMQW-IBGZPJMESA-N 1 3 380.536 3.874 20 0 GHADHO FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000806157530 884414143 /nfs/dbraw/zinc/41/41/43/884414143.db2.gz GVHRSXCOLSPHGE-YHDCXSKOSA-N 1 3 382.470 3.987 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCCCCCNC(=O)OC(C)(C)C ZINC001168284966 884565087 /nfs/dbraw/zinc/56/50/87/884565087.db2.gz PTCHBAORTSULCG-VAMGGRTRSA-N 1 3 397.604 3.645 20 0 GHADHO CCCN(C)[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655766285 885307909 /nfs/dbraw/zinc/30/79/09/885307909.db2.gz CNNWFTZTLSXEGS-FCHUYYIVSA-N 1 3 394.003 3.956 20 0 GHADHO C[C@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000807398681 885424539 /nfs/dbraw/zinc/42/45/39/885424539.db2.gz AKMZKKKJWSQVLL-PGRDOPGGSA-N 1 3 382.552 3.581 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nncc4cc(F)ccc43)c3ccccc23)CC1 ZINC001170525556 885502924 /nfs/dbraw/zinc/50/29/24/885502924.db2.gz SKFKVIYSGHSQFJ-UHFFFAOYSA-N 1 3 389.478 3.678 20 0 GHADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000131556513 886255038 /nfs/dbraw/zinc/25/50/38/886255038.db2.gz VYWRIJNAJKBUJY-KBPBESRZSA-N 1 3 385.321 3.740 20 0 GHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001184206218 913072395 /nfs/dbraw/zinc/07/23/95/913072395.db2.gz IPKIWDWDLKDIAT-ZULIPRJHSA-N 1 3 379.589 3.922 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)CC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000236820139 886886994 /nfs/dbraw/zinc/88/69/94/886886994.db2.gz CDZXJMLJMQGNPO-SFHVURJKSA-N 1 3 385.474 3.594 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](C3CC3)C3CCCCC3)cc2)CC1 ZINC000915686452 887304205 /nfs/dbraw/zinc/30/42/05/887304205.db2.gz YZSMOLLCJDKRCR-UHFFFAOYSA-N 1 3 384.568 3.564 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](C3CC3)C3CCCCC3)cc2)CC1 ZINC000915686452 887304227 /nfs/dbraw/zinc/30/42/27/887304227.db2.gz YZSMOLLCJDKRCR-UHFFFAOYSA-N 1 3 384.568 3.564 20 0 GHADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404347 913191920 /nfs/dbraw/zinc/19/19/20/913191920.db2.gz GODPDJLVQPXRGY-SLYNCCJLSA-N 1 3 391.987 3.787 20 0 GHADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404347 913191935 /nfs/dbraw/zinc/19/19/35/913191935.db2.gz GODPDJLVQPXRGY-SLYNCCJLSA-N 1 3 391.987 3.787 20 0 GHADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809950075 888017340 /nfs/dbraw/zinc/01/73/40/888017340.db2.gz CBAHBFGJIJXSJC-UFYCRDLUSA-N 1 3 381.605 3.981 20 0 GHADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809950075 888017350 /nfs/dbraw/zinc/01/73/50/888017350.db2.gz CBAHBFGJIJXSJC-UFYCRDLUSA-N 1 3 381.605 3.981 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000810378627 888470710 /nfs/dbraw/zinc/47/07/10/888470710.db2.gz CDIZCWRSTVJNLD-MNRDOXJOSA-N 1 3 387.543 3.511 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000810378627 888470716 /nfs/dbraw/zinc/47/07/16/888470716.db2.gz CDIZCWRSTVJNLD-MNRDOXJOSA-N 1 3 387.543 3.511 20 0 GHADHO C[C@@H](CN(C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000532941677 889344236 /nfs/dbraw/zinc/34/42/36/889344236.db2.gz HHLDUCZRTATACL-LEWJYISDSA-N 1 3 393.575 3.891 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000644535744 913348849 /nfs/dbraw/zinc/34/88/49/913348849.db2.gz SBTSPLYJKNOHDQ-CTNGQTDRSA-N 1 3 379.548 3.951 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000644535744 913348867 /nfs/dbraw/zinc/34/88/67/913348867.db2.gz SBTSPLYJKNOHDQ-CTNGQTDRSA-N 1 3 379.548 3.951 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000871783891 891009765 /nfs/dbraw/zinc/00/97/65/891009765.db2.gz JOKHIFSHVUVVPO-UHFFFAOYSA-N 1 3 383.521 3.697 20 0 GHADHO CN1CC[C@H]2CCN(C(=O)NCc3ccccc3C[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC000497400031 891500432 /nfs/dbraw/zinc/50/04/32/891500432.db2.gz HYYVNIVQGWYUTE-WMZHIEFXSA-N 1 3 398.595 3.687 20 0 GHADHO CN1CC[C@H]2CCN(C(=O)NCc3ccccc3C[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC000497400031 891500444 /nfs/dbraw/zinc/50/04/44/891500444.db2.gz HYYVNIVQGWYUTE-WMZHIEFXSA-N 1 3 398.595 3.687 20 0 GHADHO O[C@@H](c1cc(F)ccc1F)C1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873213985 891526548 /nfs/dbraw/zinc/52/65/48/891526548.db2.gz TYQWNGUEVOLLQG-HXUWFJFHSA-N 1 3 378.488 3.618 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(C(F)(F)F)cc1 ZINC000873247515 891548578 /nfs/dbraw/zinc/54/85/78/891548578.db2.gz OUJXCGSFEPZHOL-CYBMUJFWSA-N 1 3 375.398 3.596 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000162161360 892079868 /nfs/dbraw/zinc/07/98/68/892079868.db2.gz ASOWJGPWRGHDSQ-IBGZPJMESA-N 1 3 375.520 3.891 20 0 GHADHO C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508700453 892669860 /nfs/dbraw/zinc/66/98/60/892669860.db2.gz UJGQIARTOWWKDN-PMOQBDJRSA-N 1 3 379.548 3.706 20 0 GHADHO COc1cc(OC)cc(OCC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000508703037 892750316 /nfs/dbraw/zinc/75/03/16/892750316.db2.gz XCMVETCHRKRBCC-UYAOXDASSA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508703037 892750326 /nfs/dbraw/zinc/75/03/26/892750326.db2.gz XCMVETCHRKRBCC-UYAOXDASSA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508703037 892750334 /nfs/dbraw/zinc/75/03/34/892750334.db2.gz XCMVETCHRKRBCC-UYAOXDASSA-N 1 3 384.520 3.583 20 0 GHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000162748880 893117898 /nfs/dbraw/zinc/11/78/98/893117898.db2.gz SORUGLPMYQBKLU-GOSISDBHSA-N 1 3 389.565 3.621 20 0 GHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000162748880 893117900 /nfs/dbraw/zinc/11/79/00/893117900.db2.gz SORUGLPMYQBKLU-GOSISDBHSA-N 1 3 389.565 3.621 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696176 893332106 /nfs/dbraw/zinc/33/21/06/893332106.db2.gz HYQXEFSXUWHHMQ-DNQXCXABSA-N 1 3 398.639 3.785 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696176 893332118 /nfs/dbraw/zinc/33/21/18/893332118.db2.gz HYQXEFSXUWHHMQ-DNQXCXABSA-N 1 3 398.639 3.785 20 0 GHADHO [NH3+]C[C@H]1CN(Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC12CCOCC2 ZINC000563135074 893397812 /nfs/dbraw/zinc/39/78/12/893397812.db2.gz DUONNEKMYFXCGS-KRWDZBQOSA-N 1 3 388.458 3.944 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@H](C)C1 ZINC000459411035 893472356 /nfs/dbraw/zinc/47/23/56/893472356.db2.gz IOKLWLUMBRYSBP-QAPCUYQASA-N 1 3 390.597 3.808 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000459468159 893585672 /nfs/dbraw/zinc/58/56/72/893585672.db2.gz RCKWUWZLGIRBTJ-UHFFFAOYSA-N 1 3 381.564 3.788 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(Cl)c3Cl)CC2)CC1 ZINC000563372169 893675163 /nfs/dbraw/zinc/67/51/63/893675163.db2.gz XOQMOFZHYBYESN-UHFFFAOYSA-N 1 3 398.378 3.806 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000556119521 893834516 /nfs/dbraw/zinc/83/45/16/893834516.db2.gz ZDSRISPWMYJLSP-HRCADAONSA-N 1 3 399.398 3.855 20 0 GHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000536829071 893861418 /nfs/dbraw/zinc/86/14/18/893861418.db2.gz VPZYWEWBUDDXJC-AUUYWEPGSA-N 1 3 377.326 3.911 20 0 GHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000536829071 893861435 /nfs/dbraw/zinc/86/14/35/893861435.db2.gz VPZYWEWBUDDXJC-AUUYWEPGSA-N 1 3 377.326 3.911 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000536999559 894204836 /nfs/dbraw/zinc/20/48/36/894204836.db2.gz UBZXZACBLZPWRA-HXUWFJFHSA-N 1 3 398.378 3.977 20 0 GHADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1c2ccccc2CCc2ccccc21 ZINC000563957778 894371987 /nfs/dbraw/zinc/37/19/87/894371987.db2.gz SKIYSLATAIDQFB-FGZHOGPDSA-N 1 3 389.543 3.771 20 0 GHADHO CN(C)[C@@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1cccs1 ZINC000537167123 894476835 /nfs/dbraw/zinc/47/68/35/894476835.db2.gz RZWDHSLDBSIXOC-OALUTQOASA-N 1 3 385.577 3.929 20 0 GHADHO COc1ccc(OC)c(CC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000537190618 894513295 /nfs/dbraw/zinc/51/32/95/894513295.db2.gz QEDSKNAEDQMRSL-OAQYLSRUSA-N 1 3 396.531 3.824 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000564676224 895172129 /nfs/dbraw/zinc/17/21/29/895172129.db2.gz MOUKYHSUKCBGEO-FQEVSTJZSA-N 1 3 379.976 3.960 20 0 GHADHO Brc1ccccc1-c1cnc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000565047450 895367820 /nfs/dbraw/zinc/36/78/20/895367820.db2.gz RPZLGTFTXFGKNO-HUUCEWRRSA-N 1 3 390.325 3.926 20 0 GHADHO Cc1cccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319512 895529802 /nfs/dbraw/zinc/52/98/02/895529802.db2.gz VFCBQBCERBLDIA-SDHOMARFSA-N 1 3 393.575 3.793 20 0 GHADHO Cc1cccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319512 895529816 /nfs/dbraw/zinc/52/98/16/895529816.db2.gz VFCBQBCERBLDIA-SDHOMARFSA-N 1 3 393.575 3.793 20 0 GHADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000817890983 895950700 /nfs/dbraw/zinc/95/07/00/895950700.db2.gz DAULALIIWSIZPF-ITSWEJNFSA-N 1 3 393.487 3.550 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902555 895956288 /nfs/dbraw/zinc/95/62/88/895956288.db2.gz TXRFCHDFWKRWKH-XDHUDOTRSA-N 1 3 391.515 3.812 20 0 GHADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817982632 895990774 /nfs/dbraw/zinc/99/07/74/895990774.db2.gz USSKNFPATGXTSQ-KBXCAEBGSA-N 1 3 382.476 3.814 20 0 GHADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000819015804 896348855 /nfs/dbraw/zinc/34/88/55/896348855.db2.gz PXUXYRHDFCDSPK-DYESRHJHSA-N 1 3 376.903 3.667 20 0 GHADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)c1cccc2ccccc21 ZINC000819122751 896422758 /nfs/dbraw/zinc/42/27/58/896422758.db2.gz ZEHWOBPTWVYLKH-VWLOTQADSA-N 1 3 390.527 3.620 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282845 896527018 /nfs/dbraw/zinc/52/70/18/896527018.db2.gz CDLPLJCUJVPBIA-VWNXMTODSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282845 896527030 /nfs/dbraw/zinc/52/70/30/896527030.db2.gz CDLPLJCUJVPBIA-VWNXMTODSA-N 1 3 382.548 3.545 20 0 GHADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)cc(OC)c1OCC(F)F ZINC000289212355 914089250 /nfs/dbraw/zinc/08/92/50/914089250.db2.gz WQRFBFXCEXFPDW-UHFFFAOYSA-N 1 3 386.483 3.511 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(c4ccc(C)cc4C)CC3)CC2)CC1 ZINC000566925182 896702092 /nfs/dbraw/zinc/70/20/92/896702092.db2.gz YNIIXSCMJGKDPS-UHFFFAOYSA-N 1 3 397.607 3.648 20 0 GHADHO CCCCCOc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1OC ZINC000567870841 897463784 /nfs/dbraw/zinc/46/37/84/897463784.db2.gz QTSDPUYUHJKJJV-KNQAVFIVSA-N 1 3 376.541 3.592 20 0 GHADHO COc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c(C)c1OC ZINC000568132362 897621756 /nfs/dbraw/zinc/62/17/56/897621756.db2.gz XIYLCXNKFHVPPH-UHFFFAOYSA-N 1 3 384.520 3.777 20 0 GHADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(F)cc1F ZINC000568198764 897667717 /nfs/dbraw/zinc/66/77/17/897667717.db2.gz HTNZGHFJTZDWOW-NRFANRHFSA-N 1 3 393.522 3.728 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000568207149 897674567 /nfs/dbraw/zinc/67/45/67/897674567.db2.gz YHGBTGLLJSVIOE-UHFFFAOYSA-N 1 3 383.580 3.767 20 0 GHADHO C[C@@]1(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)OCCc2sccc21 ZINC000568687866 898036150 /nfs/dbraw/zinc/03/61/50/898036150.db2.gz SSZCERDQWLMYAP-QFIPXVFZSA-N 1 3 388.552 3.972 20 0 GHADHO CC(C)[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001136529713 898174985 /nfs/dbraw/zinc/17/49/85/898174985.db2.gz MLTVJPBRKZKJCT-QHCPKHFHSA-N 1 3 385.596 3.664 20 0 GHADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000569211949 898434576 /nfs/dbraw/zinc/43/45/76/898434576.db2.gz ALKZAFKOCIBPMT-VWNXMTODSA-N 1 3 396.579 3.575 20 0 GHADHO C[NH+]1CCC2(CC1)CN(CCCCOc1ccccc1C(F)(F)F)CCO2 ZINC000646104256 914259366 /nfs/dbraw/zinc/25/93/66/914259366.db2.gz FDBXKHCAGDEQIZ-UHFFFAOYSA-N 1 3 386.458 3.661 20 0 GHADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)C1 ZINC000569442431 898668052 /nfs/dbraw/zinc/66/80/52/898668052.db2.gz NOCYOPYAVSSCMN-PXNSSMCTSA-N 1 3 375.900 3.713 20 0 GHADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCCCC1)COCc1cccs1 ZINC000570563797 899393814 /nfs/dbraw/zinc/39/38/14/899393814.db2.gz AUSZCKNDNDXHBZ-NRFANRHFSA-N 1 3 388.577 3.791 20 0 GHADHO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C1CC[NH+](C)CC1 ZINC000824529468 899660768 /nfs/dbraw/zinc/66/07/68/899660768.db2.gz GMOBNDBPGYGZKF-DLBZAZTESA-N 1 3 390.535 3.915 20 0 GHADHO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C1CC[NH+](C)CC1 ZINC000824529468 899660778 /nfs/dbraw/zinc/66/07/78/899660778.db2.gz GMOBNDBPGYGZKF-DLBZAZTESA-N 1 3 390.535 3.915 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](c4ccccc4)CC3(C)C)CC2)CC1 ZINC000885233478 900434127 /nfs/dbraw/zinc/43/41/27/900434127.db2.gz DVEWMKSXFFVVFF-QFIPXVFZSA-N 1 3 397.607 3.977 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000574034052 900753163 /nfs/dbraw/zinc/75/31/63/900753163.db2.gz XDEOYTAVSXWJDW-KNKQGSTJSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000574034052 900753179 /nfs/dbraw/zinc/75/31/79/900753179.db2.gz XDEOYTAVSXWJDW-KNKQGSTJSA-N 1 3 388.577 3.777 20 0 GHADHO CC(C)(C)C(=O)N1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886504009 901092163 /nfs/dbraw/zinc/09/21/63/901092163.db2.gz NUOOEEGHMQEKDS-BVSLBCMMSA-N 1 3 383.580 3.666 20 0 GHADHO COC[C@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)[C@H]1CCCOC1 ZINC000886789326 901274967 /nfs/dbraw/zinc/27/49/67/901274967.db2.gz SEMFNOLZTOXABW-CBQOVEMMSA-N 1 3 390.568 3.773 20 0 GHADHO CN(C(=O)c1ccccc1CC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000575752963 901276022 /nfs/dbraw/zinc/27/60/22/901276022.db2.gz UAHROZQPXYNIHW-HSZRJFAPSA-N 1 3 391.559 3.575 20 0 GHADHO C[C@@H](OC[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000576457839 902032789 /nfs/dbraw/zinc/03/27/89/902032789.db2.gz RZAOIKDLACNFTE-IIBYNOLFSA-N 1 3 380.960 3.775 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000576647053 902156834 /nfs/dbraw/zinc/15/68/34/902156834.db2.gz OSCQTKGETPYEKC-MRXNPFEDSA-N 1 3 393.522 3.681 20 0 GHADHO C[C@H](CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000576651424 902161407 /nfs/dbraw/zinc/16/14/07/902161407.db2.gz KYQIQWQKCBJFGP-APWZRJJASA-N 1 3 380.964 3.506 20 0 GHADHO C[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000128491668 902676144 /nfs/dbraw/zinc/67/61/44/902676144.db2.gz TVUAKQQZBPQGIK-IBGZPJMESA-N 1 3 395.547 3.600 20 0 GHADHO COc1ccc([C@H](C)NCC2(SC)CC[NH+](C)CC2)c(Br)c1 ZINC000577430821 902765264 /nfs/dbraw/zinc/76/52/64/902765264.db2.gz NKFCZNXASGNNAN-ZDUSSCGKSA-N 1 3 387.387 3.936 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000646566383 914673444 /nfs/dbraw/zinc/67/34/44/914673444.db2.gz MSCPQWNTZBESKI-MRXNPFEDSA-N 1 3 377.960 3.714 20 0 GHADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000578647692 904026319 /nfs/dbraw/zinc/02/63/19/904026319.db2.gz BKPIXMGNDPOSBC-INIZCTEOSA-N 1 3 399.501 3.621 20 0 GHADHO C/C(=C\c1ccccc1OC(F)F)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000578687904 904052806 /nfs/dbraw/zinc/05/28/06/904052806.db2.gz XCXVEZAPRCHTEN-BMRADRMJSA-N 1 3 381.511 3.649 20 0 GHADHO C/C(=C\c1ccccc1OC(F)F)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000578687904 904052820 /nfs/dbraw/zinc/05/28/20/904052820.db2.gz XCXVEZAPRCHTEN-BMRADRMJSA-N 1 3 381.511 3.649 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000579248991 904454497 /nfs/dbraw/zinc/45/44/97/904454497.db2.gz XMTKCMABHZBINW-WMZHIEFXSA-N 1 3 383.580 3.792 20 0 GHADHO CN1C(C)(C)CC([NH2+]CC2CCN(C(=O)c3ccccc3F)CC2)CC1(C)C ZINC001171627576 904889856 /nfs/dbraw/zinc/88/98/56/904889856.db2.gz XJTYLDKQNFRUER-UHFFFAOYSA-N 1 3 389.559 3.919 20 0 GHADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CN1Cc1ccccc1 ZINC001171737545 905021687 /nfs/dbraw/zinc/02/16/87/905021687.db2.gz BUMSXTCWYHMQIP-RDPSFJRHSA-N 1 3 378.564 3.546 20 0 GHADHO [NH3+]C1(Cc2ccccc2)CCN([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171881379 905153219 /nfs/dbraw/zinc/15/32/19/905153219.db2.gz RHBNGNSVSJOPMN-HSZRJFAPSA-N 1 3 391.559 3.717 20 0 GHADHO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062921 905324432 /nfs/dbraw/zinc/32/44/32/905324432.db2.gz SOYPQXVHRHRNTD-BKFWDETESA-N 1 3 391.559 3.820 20 0 GHADHO COc1cc(C)[nH]c(=O)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172067023 905334978 /nfs/dbraw/zinc/33/49/78/905334978.db2.gz DPJBBONAAWQDSB-ACDBMABISA-N 1 3 381.520 3.780 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001172105627 905354453 /nfs/dbraw/zinc/35/44/53/905354453.db2.gz JCYFHKYEYYGBPZ-UEDWAMCQSA-N 1 3 377.573 3.581 20 0 GHADHO Cc1ccc(CN2CCOC3(CCN([C@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)CC3)C2)cc1 ZINC001172117467 905372890 /nfs/dbraw/zinc/37/28/90/905372890.db2.gz QIVMHMLIENSPHL-UBRQYEGLSA-N 1 3 397.607 3.677 20 0 GHADHO Cc1ccc(CN2CCOC3(CCN([C@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)CC3)C2)cc1 ZINC001172117467 905372901 /nfs/dbraw/zinc/37/29/01/905372901.db2.gz QIVMHMLIENSPHL-UBRQYEGLSA-N 1 3 397.607 3.677 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@@H]3COc3ccccn3)CC1)C2 ZINC001172118305 905374646 /nfs/dbraw/zinc/37/46/46/905374646.db2.gz VAGMCPQXCZKQRT-CZYKHXBRSA-N 1 3 399.579 3.594 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@H]3COCC3CC3)CC1)C2 ZINC001172118918 905375208 /nfs/dbraw/zinc/37/52/08/905375208.db2.gz ZEMNTFSPSCXQBF-FNAHDJPLSA-N 1 3 376.585 3.547 20 0 GHADHO CN(C)C(=O)C1CC[NH+](C2CCN([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172560796 905623791 /nfs/dbraw/zinc/62/37/91/905623791.db2.gz KNRMTOIBWCMYAN-FYYLOGMGSA-N 1 3 383.580 3.587 20 0 GHADHO CCCC[C@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)CCN1C(=O)OC(C)(C)C ZINC001172647309 905710981 /nfs/dbraw/zinc/71/09/81/905710981.db2.gz YUCXBYLZVMVDOV-OALUTQOASA-N 1 3 379.589 3.972 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172810434 905843510 /nfs/dbraw/zinc/84/35/10/905843510.db2.gz SHZHBEDJGOPRGM-YBVXAUJNSA-N 1 3 385.552 3.790 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172810434 905843515 /nfs/dbraw/zinc/84/35/15/905843515.db2.gz SHZHBEDJGOPRGM-YBVXAUJNSA-N 1 3 385.552 3.790 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@H+](C)C[C@H](C)CN)CC1 ZINC001173556853 906530895 /nfs/dbraw/zinc/53/08/95/906530895.db2.gz LFOJYDZLDYVVTB-VNCLNFNDSA-N 1 3 399.373 3.734 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@@H+](C)C[C@H](C)CN)CC1 ZINC001173556853 906530903 /nfs/dbraw/zinc/53/09/03/906530903.db2.gz LFOJYDZLDYVVTB-VNCLNFNDSA-N 1 3 399.373 3.734 20 0 GHADHO COCCC1([NH3+])CCN([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173704041 906653487 /nfs/dbraw/zinc/65/34/87/906653487.db2.gz VKVFXZIUUYKTPW-HSZRJFAPSA-N 1 3 394.559 3.953 20 0 GHADHO Cc1ccc(Br)cc1NC(=O)CCNC1CC[NH+](C(C)C)CC1 ZINC000180458101 906774091 /nfs/dbraw/zinc/77/40/91/906774091.db2.gz SKQUGWMXIAXJBU-UHFFFAOYSA-N 1 3 382.346 3.549 20 0 GHADHO NC1(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)CCOCC1 ZINC000629655090 906931569 /nfs/dbraw/zinc/93/15/69/906931569.db2.gz QXVJWMFUNDANPY-UHFFFAOYSA-N 1 3 381.339 3.775 20 0 GHADHO CC(C)C[NH+]1CCC(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000065802708 907155700 /nfs/dbraw/zinc/15/57/00/907155700.db2.gz VULDYLUXQFOERY-HSZRJFAPSA-N 1 3 385.596 3.944 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(OC(F)F)c1 ZINC000182272359 907173986 /nfs/dbraw/zinc/17/39/86/907173986.db2.gz HVKIZZBKBCAJMB-KXBFYZLASA-N 1 3 376.447 3.705 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OC(F)F)c1 ZINC000182272359 907173999 /nfs/dbraw/zinc/17/39/99/907173999.db2.gz HVKIZZBKBCAJMB-KXBFYZLASA-N 1 3 376.447 3.705 20 0 GHADHO CCC[N@@H+]1CCc2c(N)sc(Nc3ccc(N4CCN(C)CC4)cc3)c2C1 ZINC001174813664 907245410 /nfs/dbraw/zinc/24/54/10/907245410.db2.gz LFRQCGIVLWCWKZ-UHFFFAOYSA-N 1 3 385.581 3.594 20 0 GHADHO CCC[N@H+]1CCc2c(N)sc(Nc3ccc(N4CCN(C)CC4)cc3)c2C1 ZINC001174813664 907245425 /nfs/dbraw/zinc/24/54/25/907245425.db2.gz LFRQCGIVLWCWKZ-UHFFFAOYSA-N 1 3 385.581 3.594 20 0 GHADHO CC[C@@H](c1ccccc1)N(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000299481072 921363513 /nfs/dbraw/zinc/36/35/13/921363513.db2.gz DNJSKLUBGFHEHS-QFIPXVFZSA-N 1 3 386.584 3.728 20 0 GHADHO CN(C)C[C@H](NC(=O)Nc1cccc(C[NH3+])c1)c1cccc(C(F)(F)F)c1 ZINC000632948057 908163383 /nfs/dbraw/zinc/16/33/83/908163383.db2.gz DZMWOJOPOWMCIU-KRWDZBQOSA-N 1 3 380.414 3.589 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cnc(-c3ccsc3)s2)C1 ZINC001178463447 909065869 /nfs/dbraw/zinc/06/58/69/909065869.db2.gz QETIXLBZFZYDHE-GOSISDBHSA-N 1 3 385.558 3.728 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cnc(-c3ccsc3)s2)C1 ZINC001178463447 909065887 /nfs/dbraw/zinc/06/58/87/909065887.db2.gz QETIXLBZFZYDHE-GOSISDBHSA-N 1 3 385.558 3.728 20 0 GHADHO CCOc1cc(CN2CCC(CCC[NH+](C)C)CC2)ccc1OC(=O)CC ZINC001180051266 909915946 /nfs/dbraw/zinc/91/59/46/909915946.db2.gz FHIAKBKMGNLDHD-UHFFFAOYSA-N 1 3 376.541 3.955 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000269597359 910313243 /nfs/dbraw/zinc/31/32/43/910313243.db2.gz FPNGKAASLKLQBD-LJQANCHMSA-N 1 3 394.563 3.879 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000247438675 911281153 /nfs/dbraw/zinc/28/11/53/911281153.db2.gz XNMFTDKPKWMKET-CEXWTWQISA-N 1 3 386.584 3.664 20 0 GHADHO Cc1ncc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)n1-c1ccccc1 ZINC000283822205 911660458 /nfs/dbraw/zinc/66/04/58/911660458.db2.gz CYSDPXLQUYNAMA-UHFFFAOYSA-N 1 3 390.531 3.944 20 0 GHADHO Cc1ccc([C@H](CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)N(C)C)cc1 ZINC001182482568 911833553 /nfs/dbraw/zinc/83/35/53/911833553.db2.gz RCOGRVYXUYTQIB-PKTZIBPZSA-N 1 3 379.548 3.837 20 0 GHADHO Cc1ccc([C@H](CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)N(C)C)cc1 ZINC001182482568 911833556 /nfs/dbraw/zinc/83/35/56/911833556.db2.gz RCOGRVYXUYTQIB-PKTZIBPZSA-N 1 3 379.548 3.837 20 0 GHADHO C[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000284385308 911847800 /nfs/dbraw/zinc/84/78/00/911847800.db2.gz OSPCMOXIELZYNH-KRWDZBQOSA-N 1 3 382.504 3.782 20 0 GHADHO CC(C)C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccncc1 ZINC000647309265 915146585 /nfs/dbraw/zinc/14/65/85/915146585.db2.gz GRHDWTPCTXLHMU-HSZRJFAPSA-N 1 3 394.563 3.656 20 0 GHADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000647551243 915321074 /nfs/dbraw/zinc/32/10/74/915321074.db2.gz BYWJRBYIDGWXFK-YYWXWVFPSA-N 1 3 391.313 3.538 20 0 GHADHO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975476 915457507 /nfs/dbraw/zinc/45/75/07/915457507.db2.gz ATMYUVUOHWZEKP-OWCLPIDISA-N 1 3 383.458 3.744 20 0 GHADHO COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)c1OC ZINC000647977916 915459689 /nfs/dbraw/zinc/45/96/89/915459689.db2.gz JSYOHYMEDRXVQR-CABCVRRESA-N 1 3 397.357 3.678 20 0 GHADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)cc21 ZINC000649753497 916379812 /nfs/dbraw/zinc/37/98/12/916379812.db2.gz MGAVBLLUMOWSEQ-IAGOWNOFSA-N 1 3 397.441 3.889 20 0 GHADHO Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(OCC[NH+](C)C)c1 ZINC000649754041 916380522 /nfs/dbraw/zinc/38/05/22/916380522.db2.gz ASPLTGPESHZGBZ-HUUCEWRRSA-N 1 3 388.430 3.622 20 0 GHADHO O=C(C(C[C@H]1CCCO1)C(F)(F)F)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000649758588 916383976 /nfs/dbraw/zinc/38/39/76/916383976.db2.gz QYRJAUKTPPAUNM-QZTJIDSGSA-N 1 3 384.442 3.863 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445339 917379340 /nfs/dbraw/zinc/37/93/40/917379340.db2.gz TVZJHLHNKDTNSO-ZJSXRUAMSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445339 917379350 /nfs/dbraw/zinc/37/93/50/917379350.db2.gz TVZJHLHNKDTNSO-ZJSXRUAMSA-N 1 3 399.579 3.841 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)cc1CN1CCCCC1 ZINC000775392729 917380337 /nfs/dbraw/zinc/38/03/37/917380337.db2.gz APZRUTZDARRXAF-AVRDEDQJSA-N 1 3 391.625 3.769 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363548161 918397790 /nfs/dbraw/zinc/39/77/90/918397790.db2.gz WTQWAZMZGRLUBO-KBMXLJTQSA-N 1 3 385.430 3.519 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363548161 918397806 /nfs/dbraw/zinc/39/78/06/918397806.db2.gz WTQWAZMZGRLUBO-KBMXLJTQSA-N 1 3 385.430 3.519 20 0 GHADHO Cc1ccnc([C@@H]2CCN(C/C=C\C[N@@H+]3CC[C@@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749747 918466962 /nfs/dbraw/zinc/46/69/62/918466962.db2.gz YBDBHZIMCPLHPU-UWDZZFAPSA-N 1 3 376.548 3.928 20 0 GHADHO Cc1ccnc([C@@H]2CCN(C/C=C\C[N@H+]3CC[C@@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749747 918466978 /nfs/dbraw/zinc/46/69/78/918466978.db2.gz YBDBHZIMCPLHPU-UWDZZFAPSA-N 1 3 376.548 3.928 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000298462206 920563292 /nfs/dbraw/zinc/56/32/92/920563292.db2.gz AUKJRTQGXORGPV-UHFFFAOYSA-N 1 3 383.536 3.858 20 0 GHADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902504264 922244321 /nfs/dbraw/zinc/24/43/21/922244321.db2.gz NFXLWSOTWKOAJC-XTQVGHSUSA-N 1 3 379.504 3.558 20 0 GHADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000903126265 922794483 /nfs/dbraw/zinc/79/44/83/922794483.db2.gz RKOJDPZRLQQALR-XIHRNRATSA-N 1 3 382.470 3.604 20 0 GHADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000903126265 922794495 /nfs/dbraw/zinc/79/44/95/922794495.db2.gz RKOJDPZRLQQALR-XIHRNRATSA-N 1 3 382.470 3.604 20 0 GHADHO COc1cc(C[NH2+]C[C@H]2CNCCC2(F)F)ccc1OCc1ccccc1 ZINC000903956090 923435102 /nfs/dbraw/zinc/43/51/02/923435102.db2.gz GSKOUBRLJMPLNE-GOSISDBHSA-N 1 3 376.447 3.609 20 0 GHADHO COc1ccccc1-c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370709937 924269772 /nfs/dbraw/zinc/26/97/72/924269772.db2.gz LABPMOKQPGUGNA-HYBUGGRVSA-N 1 3 393.575 3.820 20 0 GHADHO C[C@H]1CN(Cc2ccc(N(C)c3ccccc3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000678285995 924707641 /nfs/dbraw/zinc/70/76/41/924707641.db2.gz SMAUPDNLRMJABG-OFVILXPXSA-N 1 3 392.591 3.912 20 0 GHADHO O=C(CN[C@H](c1ccc(Cl)cc1)C1CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000678768366 924915521 /nfs/dbraw/zinc/91/55/21/924915521.db2.gz XKBPONNDPKSXRO-NRFANRHFSA-N 1 3 375.944 3.514 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335523 925099086 /nfs/dbraw/zinc/09/90/86/925099086.db2.gz BCQUEKWOCUHNKB-WIOPSUGQSA-N 1 3 391.559 3.982 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335523 925099095 /nfs/dbraw/zinc/09/90/95/925099095.db2.gz BCQUEKWOCUHNKB-WIOPSUGQSA-N 1 3 391.559 3.982 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335520 925099310 /nfs/dbraw/zinc/09/93/10/925099310.db2.gz BCQUEKWOCUHNKB-DHLKQENFSA-N 1 3 391.559 3.982 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335520 925099321 /nfs/dbraw/zinc/09/93/21/925099321.db2.gz BCQUEKWOCUHNKB-DHLKQENFSA-N 1 3 391.559 3.982 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000410351819 925563419 /nfs/dbraw/zinc/56/34/19/925563419.db2.gz IAUHNGDSDWUZGM-FQEVSTJZSA-N 1 3 388.600 3.648 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000410351819 925563422 /nfs/dbraw/zinc/56/34/22/925563422.db2.gz IAUHNGDSDWUZGM-FQEVSTJZSA-N 1 3 388.600 3.648 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](CC(C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC000411452164 926414195 /nfs/dbraw/zinc/41/41/95/926414195.db2.gz IHLNDGWVLXZFJY-LJQANCHMSA-N 1 3 399.501 3.983 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751093747 928025320 /nfs/dbraw/zinc/02/53/20/928025320.db2.gz UDLZMOFNPJOLBB-VNXZQDSDSA-N 1 3 398.595 3.747 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Nc2ccncc2)cc1 ZINC000469511263 929955186 /nfs/dbraw/zinc/95/51/86/929955186.db2.gz YVVKCIKPEQKHOL-QHCPKHFHSA-N 1 3 386.499 3.642 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Nc2ccncc2)cc1 ZINC000469511263 929955191 /nfs/dbraw/zinc/95/51/91/929955191.db2.gz YVVKCIKPEQKHOL-QHCPKHFHSA-N 1 3 386.499 3.642 20 0 GHADHO CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000781424754 930840153 /nfs/dbraw/zinc/84/01/53/930840153.db2.gz YOXUEYPDJAPBEI-YMPZKCBVSA-N 1 3 399.579 3.886 20 0 GHADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000781425422 930841297 /nfs/dbraw/zinc/84/12/97/930841297.db2.gz ILZZGIYBCLQGRH-LNGMVNIQSA-N 1 3 385.596 3.519 20 0 GHADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000781425422 930841303 /nfs/dbraw/zinc/84/13/03/930841303.db2.gz ILZZGIYBCLQGRH-LNGMVNIQSA-N 1 3 385.596 3.519 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739455 930874084 /nfs/dbraw/zinc/87/40/84/930874084.db2.gz BBYXDSAVXTXUIK-AZUAARDMSA-N 1 3 392.613 3.504 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739455 930874091 /nfs/dbraw/zinc/87/40/91/930874091.db2.gz BBYXDSAVXTXUIK-AZUAARDMSA-N 1 3 392.613 3.504 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)N2CCCC2)cc1 ZINC000557581864 931558027 /nfs/dbraw/zinc/55/80/27/931558027.db2.gz MXZCPCSKQHVATM-HSZRJFAPSA-N 1 3 379.548 3.666 20 0 GHADHO C[C@@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925041249 931621990 /nfs/dbraw/zinc/62/19/90/931621990.db2.gz JMDJESLTNJRCFM-TZMCWYRMSA-N 1 3 390.881 3.573 20 0 GHADHO C[C@@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925041249 931621996 /nfs/dbraw/zinc/62/19/96/931621996.db2.gz JMDJESLTNJRCFM-TZMCWYRMSA-N 1 3 390.881 3.573 20 0 GHADHO Cc1ccc(C)c([C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc2)c1 ZINC000925859169 931924553 /nfs/dbraw/zinc/92/45/53/931924553.db2.gz WCQJPOUDMBUGBT-IFMALSPDSA-N 1 3 378.516 3.668 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)ccn1 ZINC000931095527 934374826 /nfs/dbraw/zinc/37/48/26/934374826.db2.gz WIFPRFQSHZDHGC-GEALJGNFSA-N 1 3 379.495 3.666 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)ccn1 ZINC000931095527 934374836 /nfs/dbraw/zinc/37/48/36/934374836.db2.gz WIFPRFQSHZDHGC-GEALJGNFSA-N 1 3 379.495 3.666 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000468122942 1015299535 /nfs/dbraw/zinc/29/95/35/1015299535.db2.gz YQLUGIRGVNOQRB-JPYJTQIMSA-N 1 3 386.499 3.812 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000468122942 1015299541 /nfs/dbraw/zinc/29/95/41/1015299541.db2.gz YQLUGIRGVNOQRB-JPYJTQIMSA-N 1 3 386.499 3.812 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000470722930 1016872514 /nfs/dbraw/zinc/87/25/14/1016872514.db2.gz MGAXMJHZACDETD-UHFFFAOYSA-N 1 3 381.511 3.684 20 0 GHADHO N[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001220919101 1032189209 /nfs/dbraw/zinc/18/92/09/1032189209.db2.gz SWFQRRWEOUNQIT-SJLPKXTDSA-N 1 3 383.458 3.619 20 0 GHADHO N[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001220919101 1032189225 /nfs/dbraw/zinc/18/92/25/1032189225.db2.gz SWFQRRWEOUNQIT-SJLPKXTDSA-N 1 3 383.458 3.619 20 0 GHADHO N[C@@H](CC(=O)NCC1(CC2CCC2)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC001221130497 1032299449 /nfs/dbraw/zinc/29/94/49/1032299449.db2.gz VBUQQCNTOPYZBC-SFHVURJKSA-N 1 3 397.485 3.772 20 0 GHADHO N[C@@H](CCCc1ccccc1)C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001221136041 1032302375 /nfs/dbraw/zinc/30/23/75/1032302375.db2.gz JEHANFFBGUUYIE-NRFANRHFSA-N 1 3 399.966 3.553 20 0 GHADHO Cc1cccc([C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)(C)C)c1 ZINC001221280342 1032358750 /nfs/dbraw/zinc/35/87/50/1032358750.db2.gz SCHSGIVYSVZXCX-ICSRJNTNSA-N 1 3 376.589 3.653 20 0 GHADHO Cc1cccc([C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)(C)C)c1 ZINC001221280342 1032358762 /nfs/dbraw/zinc/35/87/62/1032358762.db2.gz SCHSGIVYSVZXCX-ICSRJNTNSA-N 1 3 376.589 3.653 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)N(C)C)cc1 ZINC001221537649 1032453950 /nfs/dbraw/zinc/45/39/50/1032453950.db2.gz PAVJRLHUAGZRLV-VJBMBRPKSA-N 1 3 394.563 3.560 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)N(C)C)cc1 ZINC001221537649 1032453955 /nfs/dbraw/zinc/45/39/55/1032453955.db2.gz PAVJRLHUAGZRLV-VJBMBRPKSA-N 1 3 394.563 3.560 20 0 GHADHO [NH3+]CCC[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1 ZINC000925612079 1017113252 /nfs/dbraw/zinc/11/32/52/1017113252.db2.gz ICQAOEWUZBSCIQ-JOCHJYFZSA-N 1 3 377.488 3.779 20 0 GHADHO CC1(C)[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925659416 1017131269 /nfs/dbraw/zinc/13/12/69/1017131269.db2.gz MTCJCLTUEDDPAX-BHIFYINESA-N 1 3 394.563 3.672 20 0 GHADHO C[N@@H+]1CC[C@@H](NCc2ccccc2-c2ccc(Cn3cncn3)cc2)CC1(C)C ZINC000628235809 1020679661 /nfs/dbraw/zinc/67/96/61/1020679661.db2.gz CJVVFAQJALHCKY-JOCHJYFZSA-N 1 3 389.547 3.956 20 0 GHADHO C[N@H+]1CC[C@@H](NCc2ccccc2-c2ccc(Cn3cncn3)cc2)CC1(C)C ZINC000628235809 1020679672 /nfs/dbraw/zinc/67/96/72/1020679672.db2.gz CJVVFAQJALHCKY-JOCHJYFZSA-N 1 3 389.547 3.956 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2cccc3[nH]ccc32)[C@H]1c1cccs1 ZINC000644574077 1021110892 /nfs/dbraw/zinc/11/08/92/1021110892.db2.gz SBLCJWFAYOPJPY-JLHGSKIFSA-N 1 3 399.560 3.642 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2cccc3[nH]ccc32)[C@H]1c1cccs1 ZINC000644574077 1021110899 /nfs/dbraw/zinc/11/08/99/1021110899.db2.gz SBLCJWFAYOPJPY-JLHGSKIFSA-N 1 3 399.560 3.642 20 0 GHADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1cc(C)c(C)o1)CC2 ZINC001204534674 1032956375 /nfs/dbraw/zinc/95/63/75/1032956375.db2.gz XBLAXNBWQCZNSG-OAQYLSRUSA-N 1 3 390.568 3.626 20 0 GHADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1cc(C)c(C)o1)CC2 ZINC001204534674 1032956378 /nfs/dbraw/zinc/95/63/78/1032956378.db2.gz XBLAXNBWQCZNSG-OAQYLSRUSA-N 1 3 390.568 3.626 20 0 GHADHO Fc1ccccc1-c1ncc(CN2CCC(COCC[NH+]3CCCC3)CC2)cn1 ZINC001140403082 1021572881 /nfs/dbraw/zinc/57/28/81/1021572881.db2.gz XVJZEASDQZAGOM-UHFFFAOYSA-N 1 3 398.526 3.607 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCOC23CCOCC3)cc1CN1CCCCC1 ZINC000903388611 1021598007 /nfs/dbraw/zinc/59/80/07/1021598007.db2.gz FOFYHHMGJZXACP-PGRDOPGGSA-N 1 3 388.552 3.670 20 0 GHADHO [NH3+]CCNC(=O)c1cccc(CN2CCC(CCCc3ccccc3)CC2)c1 ZINC001204885052 1033145699 /nfs/dbraw/zinc/14/56/99/1033145699.db2.gz GBLFBVQTAVHWCX-UHFFFAOYSA-N 1 3 379.548 3.610 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001138081183 1024022529 /nfs/dbraw/zinc/02/25/29/1024022529.db2.gz FVTJMVFNYURYGF-UHFFFAOYSA-N 1 3 393.575 3.725 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(C[NH+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@@H]3C2)c1C ZINC001138136008 1024200919 /nfs/dbraw/zinc/20/09/19/1024200919.db2.gz NAHDIDPTLPQATK-NHCUHLMSSA-N 1 3 395.547 3.680 20 0 GHADHO CCCCN1CCC([N@H+](C)Cc2cccc(I)c2)CC1 ZINC001138228166 1024412661 /nfs/dbraw/zinc/41/26/61/1024412661.db2.gz MKSGOJOUAMAIHW-UHFFFAOYSA-N 1 3 386.321 3.988 20 0 GHADHO CCCCN1CCC([N@@H+](C)Cc2cccc(I)c2)CC1 ZINC001138228166 1024412668 /nfs/dbraw/zinc/41/26/68/1024412668.db2.gz MKSGOJOUAMAIHW-UHFFFAOYSA-N 1 3 386.321 3.988 20 0 GHADHO CC(C)(C)c1[nH]c2ccccc2c1C[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001138315237 1024632501 /nfs/dbraw/zinc/63/25/01/1024632501.db2.gz YZVISWGFGKIJKV-UHFFFAOYSA-N 1 3 396.579 3.627 20 0 GHADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(-n3cncn3)cc1)CC2 ZINC001139328888 1026188502 /nfs/dbraw/zinc/18/85/02/1026188502.db2.gz LNGOFNRENXEENH-JOCHJYFZSA-N 1 3 391.519 3.737 20 0 GHADHO Cc1nccn1-c1ccccc1CN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140021663 1026805733 /nfs/dbraw/zinc/80/57/33/1026805733.db2.gz ORTKOUNSDKWKPU-BGYRXZFFSA-N 1 3 378.545 3.806 20 0 GHADHO Cc1nccn1-c1ccccc1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140021663 1026805743 /nfs/dbraw/zinc/80/57/43/1026805743.db2.gz ORTKOUNSDKWKPU-BGYRXZFFSA-N 1 3 378.545 3.806 20 0 GHADHO CCc1nc(C)c(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001203239047 1027244096 /nfs/dbraw/zinc/24/40/96/1027244096.db2.gz UWOPXNDLEHODES-HXUWFJFHSA-N 1 3 382.552 3.536 20 0 GHADHO CCc1nc(C)c(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001203239047 1027244115 /nfs/dbraw/zinc/24/41/15/1027244115.db2.gz UWOPXNDLEHODES-HXUWFJFHSA-N 1 3 382.552 3.536 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC001203821205 1027633763 /nfs/dbraw/zinc/63/37/63/1027633763.db2.gz QJPJYLAYZDCIHE-QFIPXVFZSA-N 1 3 395.547 3.593 20 0 GHADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccc(F)cc1)CC2 ZINC001203914346 1027703512 /nfs/dbraw/zinc/70/35/12/1027703512.db2.gz RMBPRHSIWMNWTC-QFIPXVFZSA-N 1 3 390.543 3.555 20 0 GHADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccc(F)cc1)CC2 ZINC001203914346 1027703529 /nfs/dbraw/zinc/70/35/29/1027703529.db2.gz RMBPRHSIWMNWTC-QFIPXVFZSA-N 1 3 390.543 3.555 20 0 GHADHO CC(=O)Nc1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)cc1 ZINC001203926080 1027715841 /nfs/dbraw/zinc/71/58/41/1027715841.db2.gz JEVUZENOMWQTHW-UHFFFAOYSA-N 1 3 378.520 3.528 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC001203954994 1027750919 /nfs/dbraw/zinc/75/09/19/1027750919.db2.gz DJRBABUODXGCCJ-JOCHJYFZSA-N 1 3 395.547 3.593 20 0 GHADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC001211279093 1027882885 /nfs/dbraw/zinc/88/28/85/1027882885.db2.gz ZSTBOHSUSBMCOC-MDZRGWNJSA-N 1 3 380.964 3.505 20 0 GHADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001211279093 1027882906 /nfs/dbraw/zinc/88/29/06/1027882906.db2.gz ZSTBOHSUSBMCOC-MDZRGWNJSA-N 1 3 380.964 3.505 20 0 GHADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000841065473 1028083257 /nfs/dbraw/zinc/08/32/57/1028083257.db2.gz PSNVNTSCRLPBRZ-QRVBRYPASA-N 1 3 376.447 3.796 20 0 GHADHO CCO[C@H](CC[NH+](C)C)CNCc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC001461343375 1069510038 /nfs/dbraw/zinc/51/00/38/1069510038.db2.gz JVPZKOAVFDVRBS-OAQYLSRUSA-N 1 3 386.584 3.925 20 0 GHADHO c1cncc(C[N@H+]2CCC3(C2)CCN(Cc2ccc4c(c2)OCCCO4)CC3)c1 ZINC001142262451 1028517500 /nfs/dbraw/zinc/51/75/00/1028517500.db2.gz DJEZFRPTNWZOGH-UHFFFAOYSA-N 1 3 393.531 3.731 20 0 GHADHO c1cncc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc4c(c2)OCCCO4)CC3)c1 ZINC001142262451 1028517512 /nfs/dbraw/zinc/51/75/12/1028517512.db2.gz DJEZFRPTNWZOGH-UHFFFAOYSA-N 1 3 393.531 3.731 20 0 GHADHO C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCNC2=O)cc1 ZINC000842904178 1029673831 /nfs/dbraw/zinc/67/38/31/1029673831.db2.gz SIDBKRLNCRUIGZ-QZTJIDSGSA-N 1 3 396.535 3.568 20 0 GHADHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000842920744 1029685283 /nfs/dbraw/zinc/68/52/83/1029685283.db2.gz LDVGUMSAKYRURT-WEYGHZABSA-N 1 3 379.504 3.639 20 0 GHADHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000842920744 1029685293 /nfs/dbraw/zinc/68/52/93/1029685293.db2.gz LDVGUMSAKYRURT-WEYGHZABSA-N 1 3 379.504 3.639 20 0 GHADHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000842919928 1029685909 /nfs/dbraw/zinc/68/59/09/1029685909.db2.gz DPDHANBPIYFMJS-ZEYPLWLESA-N 1 3 377.532 3.809 20 0 GHADHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000842919928 1029685912 /nfs/dbraw/zinc/68/59/12/1029685912.db2.gz DPDHANBPIYFMJS-ZEYPLWLESA-N 1 3 377.532 3.809 20 0 GHADHO COc1cc2c(cc1NC(=O)CN(C)C1CCC([NH3+])CC1)oc1ccccc12 ZINC000843354917 1029933528 /nfs/dbraw/zinc/93/35/28/1029933528.db2.gz LHNUSHORONIMGE-UHFFFAOYSA-N 1 3 381.476 3.735 20 0 GHADHO [NH3+]CC1(F)CCN(Cc2cnccc2-c2cccc(Br)c2)CC1 ZINC001222531972 1030183086 /nfs/dbraw/zinc/18/30/86/1030183086.db2.gz HMSBYDROIXKOAB-UHFFFAOYSA-N 1 3 378.289 3.774 20 0 GHADHO CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC001149819998 1030315086 /nfs/dbraw/zinc/31/50/86/1030315086.db2.gz NBTLGPVRDGXFLZ-NRFANRHFSA-N 1 3 389.559 3.664 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N(C)C)cc1 ZINC001223474233 1030589063 /nfs/dbraw/zinc/58/90/63/1030589063.db2.gz FOJXYANLAUSCQE-PMACEKPBSA-N 1 3 376.589 3.517 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1 ZINC001218612641 1031004872 /nfs/dbraw/zinc/00/48/72/1031004872.db2.gz ASUQLYJGBCZJTG-KRWDZBQOSA-N 1 3 392.450 3.586 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001152023952 1031079420 /nfs/dbraw/zinc/07/94/20/1031079420.db2.gz ZTQWGJZFBNEVEU-GGAORHGYSA-N 1 3 383.580 3.812 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001152023952 1031079439 /nfs/dbraw/zinc/07/94/39/1031079439.db2.gz ZTQWGJZFBNEVEU-GGAORHGYSA-N 1 3 383.580 3.812 20 0 GHADHO CN1Cc2c(NC(=O)[C@@]3(C)CC(C)(C)C[NH2+]3)cccc2[C@@H](c2ccccc2)C1 ZINC001219047105 1031229116 /nfs/dbraw/zinc/22/91/16/1031229116.db2.gz QBGUVPQEVUWILA-NTKDMRAZSA-N 1 3 377.532 3.981 20 0 GHADHO CCCCN(CC)[C@H](C(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1ccccc1 ZINC001219706058 1031566909 /nfs/dbraw/zinc/56/69/09/1031566909.db2.gz VKXAZHMFAUWCHX-QHCPKHFHSA-N 1 3 379.548 3.812 20 0 GHADHO N[C@H](CC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1cccc(Cl)c1Cl ZINC001219818820 1031632311 /nfs/dbraw/zinc/63/23/11/1031632311.db2.gz OWWGTKMQNKNBAH-MDZRGWNJSA-N 1 3 378.303 3.603 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001219999609 1031738578 /nfs/dbraw/zinc/73/85/78/1031738578.db2.gz YJCZBNHSHCHXHT-RJGXRXQPSA-N 1 3 377.532 3.681 20 0 GHADHO CCCN(C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CCN(C)C1 ZINC001220472760 1031955153 /nfs/dbraw/zinc/95/51/53/1031955153.db2.gz JZKXUVMBPJDXME-QFIPXVFZSA-N 1 3 386.584 3.544 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC1c2ccccc2CCc2ccccc21 ZINC001220660927 1032050393 /nfs/dbraw/zinc/05/03/93/1032050393.db2.gz OWYIJVYBKQLVLR-DEOSSOPVSA-N 1 3 393.575 3.529 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001229587766 1033575292 /nfs/dbraw/zinc/57/52/92/1033575292.db2.gz CKFPRVWLRBBQIX-OIBXWCBGSA-N 1 3 398.595 3.746 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001229587766 1033575306 /nfs/dbraw/zinc/57/53/06/1033575306.db2.gz CKFPRVWLRBBQIX-OIBXWCBGSA-N 1 3 398.595 3.746 20 0 GHADHO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001205813965 1033586924 /nfs/dbraw/zinc/58/69/24/1033586924.db2.gz AOPUWBOYUKMHSL-URXFXBBRSA-N 1 3 392.591 3.568 20 0 GHADHO CN1CCN(C(=[NH2+])Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001157915894 1033822884 /nfs/dbraw/zinc/82/28/84/1033822884.db2.gz GDTZHFIIJJQIRP-UHFFFAOYSA-N 1 3 386.912 3.606 20 0 GHADHO Cc1nc2scc(-c3cccs3)c2c(N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158269882 1033995850 /nfs/dbraw/zinc/99/58/50/1033995850.db2.gz SAAVGLGSZVCAEI-CQSZACIVSA-N 1 3 399.589 3.730 20 0 GHADHO Cc1nc2scc(-c3cccs3)c2c(N2CCC([N@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158269882 1033995852 /nfs/dbraw/zinc/99/58/52/1033995852.db2.gz SAAVGLGSZVCAEI-CQSZACIVSA-N 1 3 399.589 3.730 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214497 1034182337 /nfs/dbraw/zinc/18/23/37/1034182337.db2.gz NUKMAMCBNSYAMG-YPAWHYETSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214497 1034182347 /nfs/dbraw/zinc/18/23/47/1034182347.db2.gz NUKMAMCBNSYAMG-YPAWHYETSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214497 1034182355 /nfs/dbraw/zinc/18/23/55/1034182355.db2.gz NUKMAMCBNSYAMG-YPAWHYETSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214497 1034182362 /nfs/dbraw/zinc/18/23/62/1034182362.db2.gz NUKMAMCBNSYAMG-YPAWHYETSA-N 1 3 399.579 3.697 20 0 GHADHO CN(C)CC(C)(C)C[NH+]1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 ZINC001207279459 1034233620 /nfs/dbraw/zinc/23/36/20/1034233620.db2.gz GXVLOLHPQZJEEM-UHFFFAOYSA-N 1 3 392.551 3.559 20 0 GHADHO COc1ccc(CN2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001207291277 1034242157 /nfs/dbraw/zinc/24/21/57/1034242157.db2.gz MURBQKRAGFMVKL-UHFFFAOYSA-N 1 3 393.575 3.725 20 0 GHADHO Cc1cccc2ncnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)c12 ZINC001159461292 1034605520 /nfs/dbraw/zinc/60/55/20/1034605520.db2.gz UNQGLFBIKKTPJY-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4sccc43)c3ccccc23)CC1 ZINC001159460269 1034605938 /nfs/dbraw/zinc/60/59/38/1034605938.db2.gz QHSLOINIWGFZQU-UHFFFAOYSA-N 1 3 377.517 3.601 20 0 GHADHO Cc1cc(Nc2ccc(CN3CCN(C)CC3)cc2)ccc1OC1CC[NH2+]CC1 ZINC001160226996 1034908817 /nfs/dbraw/zinc/90/88/17/1034908817.db2.gz KBPHPTBEPTXYNP-UHFFFAOYSA-N 1 3 394.563 3.617 20 0 GHADHO CCN(CC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578506 1034938834 /nfs/dbraw/zinc/93/88/34/1034938834.db2.gz BEGGNINENPGZTF-HXUWFJFHSA-N 1 3 375.557 3.697 20 0 GHADHO CCN(CC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578506 1034938835 /nfs/dbraw/zinc/93/88/35/1034938835.db2.gz BEGGNINENPGZTF-HXUWFJFHSA-N 1 3 375.557 3.697 20 0 GHADHO CC(C)[C@H](C[NH3+])C(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160682046 1035034318 /nfs/dbraw/zinc/03/43/18/1035034318.db2.gz CCGJOXJTZOOBGK-PKTZIBPZSA-N 1 3 379.548 3.521 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936223 1035103581 /nfs/dbraw/zinc/10/35/81/1035103581.db2.gz MUESGIVULCHKNA-VWNXMTODSA-N 1 3 383.580 3.622 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936223 1035103590 /nfs/dbraw/zinc/10/35/90/1035103590.db2.gz MUESGIVULCHKNA-VWNXMTODSA-N 1 3 383.580 3.622 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)c2cccc([C@H](C)[NH3+])c2)cc1 ZINC001160958356 1035105936 /nfs/dbraw/zinc/10/59/36/1035105936.db2.gz VHYLIEDIJGCBKB-PGRDOPGGSA-N 1 3 395.547 3.842 20 0 GHADHO c1csc(CN2C[C@@H]3C[NH+](C[C@H]4CCN(Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943891 1035114167 /nfs/dbraw/zinc/11/41/67/1035114167.db2.gz WFNMEPNXTONERI-FKBYEOEOSA-N 1 3 381.589 3.634 20 0 GHADHO C[C@H]1CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943247 1035114319 /nfs/dbraw/zinc/11/43/19/1035114319.db2.gz SLOYVMRRHBYOAG-FPOVZHCZSA-N 1 3 387.568 3.840 20 0 GHADHO C[C@H]1CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943247 1035114320 /nfs/dbraw/zinc/11/43/20/1035114320.db2.gz SLOYVMRRHBYOAG-FPOVZHCZSA-N 1 3 387.568 3.840 20 0 GHADHO CN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945566 1035115962 /nfs/dbraw/zinc/11/59/62/1035115962.db2.gz RBTSOGBNWFOMTD-FNAHDJPLSA-N 1 3 399.579 3.696 20 0 GHADHO CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945566 1035115966 /nfs/dbraw/zinc/11/59/66/1035115966.db2.gz RBTSOGBNWFOMTD-FNAHDJPLSA-N 1 3 399.579 3.696 20 0 GHADHO Cc1cccc(N2C[C@]3(CCN(Cc4cc(F)cc(C[NH+](C)C)c4)C3)CC2=O)c1 ZINC001232147486 1035125306 /nfs/dbraw/zinc/12/53/06/1035125306.db2.gz ANSNGHXUWYBEIP-XMMPIXPASA-N 1 3 395.522 3.825 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149651 1035127424 /nfs/dbraw/zinc/12/74/24/1035127424.db2.gz NPOGFUVTPIHHMH-XZOQPEGZSA-N 1 3 381.539 3.841 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149651 1035127428 /nfs/dbraw/zinc/12/74/28/1035127428.db2.gz NPOGFUVTPIHHMH-XZOQPEGZSA-N 1 3 381.539 3.841 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149646 1035127526 /nfs/dbraw/zinc/12/75/26/1035127526.db2.gz NPOGFUVTPIHHMH-DHIUTWEWSA-N 1 3 381.539 3.841 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149646 1035127530 /nfs/dbraw/zinc/12/75/30/1035127530.db2.gz NPOGFUVTPIHHMH-DHIUTWEWSA-N 1 3 381.539 3.841 20 0 GHADHO COC(=O)[C@H]1CCCN(C2CC[NH+](CCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001209127478 1035185349 /nfs/dbraw/zinc/18/53/49/1035185349.db2.gz VLGPOUMEJHLRNG-KRWDZBQOSA-N 1 3 398.469 3.597 20 0 GHADHO c1cncc(CN2CCC3(C2)CC[NH+](CCc2ccc4c(c2)CCO4)CC3)c1 ZINC001209147783 1035193411 /nfs/dbraw/zinc/19/34/11/1035193411.db2.gz PUHCEWAGQNTPHR-UHFFFAOYSA-N 1 3 377.532 3.547 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1cccs1)CC2 ZINC001209223325 1035210747 /nfs/dbraw/zinc/21/07/47/1035210747.db2.gz WSZQQHMLNUILEM-HXUWFJFHSA-N 1 3 385.577 3.689 20 0 GHADHO CCN1CCN(c2ccc(-c3ccc([C@]45CC[NH2+][C@@H]4COCC5)cc3)cc2)CC1 ZINC001241743809 1035668488 /nfs/dbraw/zinc/66/84/88/1035668488.db2.gz QHHPAKGUOPTNHV-JWQCQUIFSA-N 1 3 391.559 3.516 20 0 GHADHO CCN1CCN(c2ccc(-c3ccc([C@@]45CC[NH2+][C@@H]4COCC5)cc3)cc2)CC1 ZINC001241743812 1035669625 /nfs/dbraw/zinc/66/96/25/1035669625.db2.gz QHHPAKGUOPTNHV-RPBOFIJWSA-N 1 3 391.559 3.516 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1)c1ccco1 ZINC001248638369 1036019874 /nfs/dbraw/zinc/01/98/74/1036019874.db2.gz HVASIKRRFGHEOZ-RTBURBONSA-N 1 3 390.572 3.759 20 0 GHADHO Cc1ccc(C[NH+]2CCC3(CCN(Cc4cccc(=O)n4C)CC3)CC2)cc1 ZINC001248806506 1036174960 /nfs/dbraw/zinc/17/49/60/1036174960.db2.gz JBBNLOAAILYRAL-UHFFFAOYSA-N 1 3 379.548 3.572 20 0 GHADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC001462078263 1069982572 /nfs/dbraw/zinc/98/25/72/1069982572.db2.gz BYJXTAJMZWLEPR-MLHJIOFPSA-N 1 3 386.527 3.986 20 0 GHADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCCc1cccc(Oc2ccccc2)c1 ZINC001245981927 1037105846 /nfs/dbraw/zinc/10/58/46/1037105846.db2.gz DGPRCCGJTKQSDO-BJKOFHAPSA-N 1 3 376.500 3.542 20 0 GHADHO C[C@@](O)(C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2)c1ccccc1 ZINC001246023536 1037141525 /nfs/dbraw/zinc/14/15/25/1037141525.db2.gz CUVZDANIQFWQDX-DNQXCXABSA-N 1 3 394.559 3.698 20 0 GHADHO C[C@@](O)(C[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2)c1ccccc1 ZINC001246023536 1037141533 /nfs/dbraw/zinc/14/15/33/1037141533.db2.gz CUVZDANIQFWQDX-DNQXCXABSA-N 1 3 394.559 3.698 20 0 GHADHO C[C@@](O)(CN1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246023536 1037141537 /nfs/dbraw/zinc/14/15/37/1037141537.db2.gz CUVZDANIQFWQDX-DNQXCXABSA-N 1 3 394.559 3.698 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cc(F)c(F)c(F)c3)CC2)CCN1 ZINC001246359236 1037318489 /nfs/dbraw/zinc/31/84/89/1037318489.db2.gz MPDFDHOMHKPISS-MSOLQXFVSA-N 1 3 383.502 3.969 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccccc3F)C2)CC[NH2+]1 ZINC001246362450 1037321562 /nfs/dbraw/zinc/32/15/62/1037321562.db2.gz SSAYPZQHAASCJW-VIZSFHNOSA-N 1 3 385.502 3.930 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2(c3ccccc3OC)CCNCC2)cc1 ZINC001246375703 1037331895 /nfs/dbraw/zinc/33/18/95/1037331895.db2.gz JHTCIVXKMHWPAV-GOSISDBHSA-N 1 3 396.531 3.671 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)CC1 ZINC001246393092 1037354908 /nfs/dbraw/zinc/35/49/08/1037354908.db2.gz RAMFWEHHWFFUCL-LJQANCHMSA-N 1 3 393.959 3.605 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)CCN1 ZINC001246407705 1037363228 /nfs/dbraw/zinc/36/32/28/1037363228.db2.gz SNMIHUQRAGMDEB-UXHICEINSA-N 1 3 381.568 3.747 20 0 GHADHO CC1(C)C[C@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CCN1 ZINC001246441244 1037402757 /nfs/dbraw/zinc/40/27/57/1037402757.db2.gz LMXSFBVMELHJQC-QGZVFWFLSA-N 1 3 395.385 3.909 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)C[C@H](C)N1 ZINC001246441659 1037403200 /nfs/dbraw/zinc/40/32/00/1037403200.db2.gz NWBFUVVLVHQGPB-ALXJQNPVSA-N 1 3 395.385 3.907 20 0 GHADHO C[C@H]1CC([NH2+]CC2(Cc3ccccc3Br)CCOCC2)C[C@H](C)N1 ZINC001246441660 1037404434 /nfs/dbraw/zinc/40/44/34/1037404434.db2.gz NWBFUVVLVHQGPB-HOTGVXAUSA-N 1 3 395.385 3.907 20 0 GHADHO C[C@H](Cc1ccncc1)[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246620122 1037512025 /nfs/dbraw/zinc/51/20/25/1037512025.db2.gz PXNDDBGRJBLHBV-NFBKMPQASA-N 1 3 379.548 3.816 20 0 GHADHO C[C@H](Cc1ccncc1)[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246620122 1037512040 /nfs/dbraw/zinc/51/20/40/1037512040.db2.gz PXNDDBGRJBLHBV-NFBKMPQASA-N 1 3 379.548 3.816 20 0 GHADHO CC(C)[C@H]1C[C@@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246674092 1037541033 /nfs/dbraw/zinc/54/10/33/1037541033.db2.gz NLHYVSUKGSKSPI-BTHPGYMESA-N 1 3 382.527 3.574 20 0 GHADHO CC(C)[C@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246674092 1037541046 /nfs/dbraw/zinc/54/10/46/1037541046.db2.gz NLHYVSUKGSKSPI-BTHPGYMESA-N 1 3 382.527 3.574 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2CCN[C@@H](Cc3ccccc3)C2)o1 ZINC001246711571 1037563768 /nfs/dbraw/zinc/56/37/68/1037563768.db2.gz YORYRCMASXLBHN-HIGZBPRKSA-N 1 3 379.548 3.600 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@H]2CCN[C@@H](Cc3ccccc3)C2)o1 ZINC001246711571 1037563778 /nfs/dbraw/zinc/56/37/78/1037563778.db2.gz YORYRCMASXLBHN-HIGZBPRKSA-N 1 3 379.548 3.600 20 0 GHADHO c1ccc(OC[C@]23CCCO[C@@H]2CCN([C@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246710797 1037564734 /nfs/dbraw/zinc/56/47/34/1037564734.db2.gz RLTMTOHDFANAAK-QZNHQXDQSA-N 1 3 399.579 3.786 20 0 GHADHO CC[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@H](CC)[NH2+]1 ZINC001246722395 1037573680 /nfs/dbraw/zinc/57/36/80/1037573680.db2.gz NQFXQODGTXPDIA-XAPVIXHLSA-N 1 3 389.609 3.985 20 0 GHADHO CC(C)[C@@H]1C[C@H](N2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756134 1037599389 /nfs/dbraw/zinc/59/93/89/1037599389.db2.gz MXMNKLNRTSFPLO-VJBWXMMDSA-N 1 3 389.559 3.521 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246770800 1037612082 /nfs/dbraw/zinc/61/20/82/1037612082.db2.gz UTFLLNYOUURROH-VVSUKSJXSA-N 1 3 378.601 3.983 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001246807567 1037643204 /nfs/dbraw/zinc/64/32/04/1037643204.db2.gz SBRXPCWXWVLYKV-QFBILLFUSA-N 1 3 382.390 3.906 20 0 GHADHO CCOC(=O)N1CCC([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CC1 ZINC001246947696 1037751546 /nfs/dbraw/zinc/75/15/46/1037751546.db2.gz WXVRSMSVMVBBFK-UHFFFAOYSA-N 1 3 379.932 3.515 20 0 GHADHO CCOC(=O)N1CCC([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CC1 ZINC001246947696 1037751564 /nfs/dbraw/zinc/75/15/64/1037751564.db2.gz WXVRSMSVMVBBFK-UHFFFAOYSA-N 1 3 379.932 3.515 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)[C@@H]2CCc3c(F)cccc3C2)c1 ZINC001246957728 1037772104 /nfs/dbraw/zinc/77/21/04/1037772104.db2.gz MRGSURKAMPSDSE-OAQYLSRUSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)[C@@H]2CCc3c(F)cccc3C2)c1 ZINC001246957728 1037772124 /nfs/dbraw/zinc/77/21/24/1037772124.db2.gz MRGSURKAMPSDSE-OAQYLSRUSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(CN(C2CC[NH2+]CC2)[C@@H]2CCc3c(F)cccc3C2)c1 ZINC001246957728 1037772146 /nfs/dbraw/zinc/77/21/46/1037772146.db2.gz MRGSURKAMPSDSE-OAQYLSRUSA-N 1 3 396.506 3.724 20 0 GHADHO COc1ccc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)n1 ZINC001232336119 1038115970 /nfs/dbraw/zinc/11/59/70/1038115970.db2.gz ZJIJRPUFAQTGIL-QFIPXVFZSA-N 1 3 395.547 3.654 20 0 GHADHO COc1ccc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)n1 ZINC001232336119 1038115974 /nfs/dbraw/zinc/11/59/74/1038115974.db2.gz ZJIJRPUFAQTGIL-QFIPXVFZSA-N 1 3 395.547 3.654 20 0 GHADHO CNc1ccccc1C[NH+]1CCC2(C[C@@H](COC)N(Cc3ccccn3)C2)CC1 ZINC001232668574 1038466223 /nfs/dbraw/zinc/46/62/23/1038466223.db2.gz TYROCRRPOPRRRG-QFIPXVFZSA-N 1 3 394.563 3.626 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cnc(C)c(C)c1)CC2 ZINC001233158665 1038932244 /nfs/dbraw/zinc/93/22/44/1038932244.db2.gz LUJOJIFZBCGIMM-QHCPKHFHSA-N 1 3 394.563 3.597 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cnc(C)c(C)c1)CC2 ZINC001233158665 1038932248 /nfs/dbraw/zinc/93/22/48/1038932248.db2.gz LUJOJIFZBCGIMM-QHCPKHFHSA-N 1 3 394.563 3.597 20 0 GHADHO CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC001252923349 1039262078 /nfs/dbraw/zinc/26/20/78/1039262078.db2.gz LJEILWRWCWSRFA-ROUUACIJSA-N 1 3 388.556 3.797 20 0 GHADHO CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC001252923349 1039262086 /nfs/dbraw/zinc/26/20/86/1039262086.db2.gz LJEILWRWCWSRFA-ROUUACIJSA-N 1 3 388.556 3.797 20 0 GHADHO COc1cccc([C@@H]2CCCN(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933170 1039272831 /nfs/dbraw/zinc/27/28/31/1039272831.db2.gz DYNRMCNVQRFMSZ-VWNXMTODSA-N 1 3 380.532 3.512 20 0 GHADHO COc1cccc([C@@H]2CCCN(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933170 1039272843 /nfs/dbraw/zinc/27/28/43/1039272843.db2.gz DYNRMCNVQRFMSZ-VWNXMTODSA-N 1 3 380.532 3.512 20 0 GHADHO O[C@H](CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001253360461 1039572074 /nfs/dbraw/zinc/57/20/74/1039572074.db2.gz GDGPERISXTVDPH-ZRCGQRJVSA-N 1 3 386.486 3.842 20 0 GHADHO O[C@H](CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001253360461 1039572091 /nfs/dbraw/zinc/57/20/91/1039572091.db2.gz GDGPERISXTVDPH-ZRCGQRJVSA-N 1 3 386.486 3.842 20 0 GHADHO COc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1-n1ccnc1 ZINC001234075102 1039809846 /nfs/dbraw/zinc/80/98/46/1039809846.db2.gz GPRUVCXASSQGBO-QFIPXVFZSA-N 1 3 390.531 3.835 20 0 GHADHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1-n1ccnc1 ZINC001234075102 1039809868 /nfs/dbraw/zinc/80/98/68/1039809868.db2.gz GPRUVCXASSQGBO-QFIPXVFZSA-N 1 3 390.531 3.835 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)CCN(Cc2ccccc2)C1 ZINC001462450439 1070261473 /nfs/dbraw/zinc/26/14/73/1070261473.db2.gz IFKRIHWRQIDQKO-WIOPSUGQSA-N 1 3 397.607 3.869 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)CCN(Cc2ccccc2)C1 ZINC001462450439 1070261489 /nfs/dbraw/zinc/26/14/89/1070261489.db2.gz IFKRIHWRQIDQKO-WIOPSUGQSA-N 1 3 397.607 3.869 20 0 GHADHO Brc1cc(CN2CCC3(CC[NH2+]CC3)CC2)ccc1-n1cccn1 ZINC001235133036 1040629096 /nfs/dbraw/zinc/62/90/96/1040629096.db2.gz MHPCYVJLXUYLHE-UHFFFAOYSA-N 1 3 389.341 3.600 20 0 GHADHO Fc1ccccc1CN1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001255108188 1040788199 /nfs/dbraw/zinc/78/81/99/1040788199.db2.gz LGKIYJUFOIUHBR-HSZRJFAPSA-N 1 3 381.539 3.902 20 0 GHADHO COc1ccnc(O[C@H]2CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c1 ZINC001255150084 1040867652 /nfs/dbraw/zinc/86/76/52/1040867652.db2.gz LNXYBTKUWBLMLK-GNXKAVGDSA-N 1 3 393.531 3.739 20 0 GHADHO COc1ccnc(O[C@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c1 ZINC001255150084 1040867665 /nfs/dbraw/zinc/86/76/65/1040867665.db2.gz LNXYBTKUWBLMLK-GNXKAVGDSA-N 1 3 393.531 3.739 20 0 GHADHO Fc1cnc(OC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)nc1 ZINC001255150056 1040868645 /nfs/dbraw/zinc/86/86/45/1040868645.db2.gz LEHDCNIVUGWIKE-AERCQKQUSA-N 1 3 396.510 3.655 20 0 GHADHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377605 1040891914 /nfs/dbraw/zinc/89/19/14/1040891914.db2.gz WWYCUMDCJZNCDU-RUZDIDTESA-N 1 3 394.559 3.773 20 0 GHADHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377605 1040891937 /nfs/dbraw/zinc/89/19/37/1040891937.db2.gz WWYCUMDCJZNCDU-RUZDIDTESA-N 1 3 394.559 3.773 20 0 GHADHO COc1c(Br)cc(C)cc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430334 1040930967 /nfs/dbraw/zinc/93/09/67/1040930967.db2.gz WUDMGXORZFIFQP-HOTGVXAUSA-N 1 3 381.358 3.978 20 0 GHADHO Cc1ccccc1[C@H]1CCCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235441420 1040939678 /nfs/dbraw/zinc/93/96/78/1040939678.db2.gz JXKSPAMHFVCVHV-JOCHJYFZSA-N 1 3 375.520 3.842 20 0 GHADHO Clc1cc2c(CN3CCC(COCC[NH+]4CCCC4)CC3)c[nH]c2cn1 ZINC001235505838 1040966318 /nfs/dbraw/zinc/96/63/18/1040966318.db2.gz WEHBXMWGODWPHI-UHFFFAOYSA-N 1 3 376.932 3.541 20 0 GHADHO CC(C)(C)OC(=O)N1CC(F)(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255382835 1040974136 /nfs/dbraw/zinc/97/41/36/1040974136.db2.gz XIJVUEBQZZLTHQ-LJQANCHMSA-N 1 3 391.531 3.590 20 0 GHADHO COc1cccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccccc4)CC3)CC2)c1 ZINC001255399258 1040985165 /nfs/dbraw/zinc/98/51/65/1040985165.db2.gz PQYPTFHURQDIJQ-JOCHJYFZSA-N 1 3 379.548 3.872 20 0 GHADHO COC(=O)C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(Br)c1 ZINC001255671692 1041203959 /nfs/dbraw/zinc/20/39/59/1041203959.db2.gz QQHFKPPJSJGERH-HQSKLWIPSA-N 1 3 395.341 3.658 20 0 GHADHO Cc1nc(F)ccc1CN1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001235807840 1041315337 /nfs/dbraw/zinc/31/53/37/1041315337.db2.gz UTUURBSPEZBJKV-GOSISDBHSA-N 1 3 389.540 3.846 20 0 GHADHO Cc1nc(F)ccc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001235807840 1041315347 /nfs/dbraw/zinc/31/53/47/1041315347.db2.gz UTUURBSPEZBJKV-GOSISDBHSA-N 1 3 389.540 3.846 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCCC[C@@]12CN(C(=O)OC(C)(C)C)CCO2 ZINC001255943513 1041430763 /nfs/dbraw/zinc/43/07/63/1041430763.db2.gz NOTICEFXMWWRBT-WOIUINJBSA-N 1 3 397.604 3.645 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCCC[C@@]12CN(C(=O)OC(C)(C)C)CCO2 ZINC001255943513 1041430765 /nfs/dbraw/zinc/43/07/65/1041430765.db2.gz NOTICEFXMWWRBT-WOIUINJBSA-N 1 3 397.604 3.645 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)Cc2cc3c(s2)CCNC3)CC1 ZINC001236198277 1041615141 /nfs/dbraw/zinc/61/51/41/1041615141.db2.gz AOBTZWJUGKLRIX-QAQDUYKDSA-N 1 3 378.582 3.975 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2cc3c(s2)CCNC3)CC1 ZINC001236198277 1041615174 /nfs/dbraw/zinc/61/51/74/1041615174.db2.gz AOBTZWJUGKLRIX-QAQDUYKDSA-N 1 3 378.582 3.975 20 0 GHADHO COC(=O)c1cc(F)cc(CN(Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c1 ZINC001236385098 1041692201 /nfs/dbraw/zinc/69/22/01/1041692201.db2.gz ODOBRALPWVRVLV-UHFFFAOYSA-N 1 3 388.458 3.753 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@H+](Cc2cccc(F)c2)C2CCNCC2)CC1 ZINC001236400299 1041701766 /nfs/dbraw/zinc/70/17/66/1041701766.db2.gz BGMQWVHSHCRSQO-UAPYVXQJSA-N 1 3 376.516 3.749 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2cccc(F)c2)C2CCNCC2)CC1 ZINC001236400299 1041701773 /nfs/dbraw/zinc/70/17/73/1041701773.db2.gz BGMQWVHSHCRSQO-UAPYVXQJSA-N 1 3 376.516 3.749 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](CN(Cc2cccc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001236400299 1041701779 /nfs/dbraw/zinc/70/17/79/1041701779.db2.gz BGMQWVHSHCRSQO-UAPYVXQJSA-N 1 3 376.516 3.749 20 0 GHADHO Cc1cc(F)cc(C[N@H+](CC2CCC3(CC2)OCCO3)C2CCNCC2)c1 ZINC001236481079 1041734267 /nfs/dbraw/zinc/73/42/67/1041734267.db2.gz OPSGCMLPWUQIPR-UHFFFAOYSA-N 1 3 376.516 3.621 20 0 GHADHO Cc1cc(F)cc(C[N@@H+](CC2CCC3(CC2)OCCO3)C2CCNCC2)c1 ZINC001236481079 1041734271 /nfs/dbraw/zinc/73/42/71/1041734271.db2.gz OPSGCMLPWUQIPR-UHFFFAOYSA-N 1 3 376.516 3.621 20 0 GHADHO Cc1cc(F)cc(CN(CC2CCC3(CC2)OCCO3)C2CC[NH2+]CC2)c1 ZINC001236481079 1041734273 /nfs/dbraw/zinc/73/42/73/1041734273.db2.gz OPSGCMLPWUQIPR-UHFFFAOYSA-N 1 3 376.516 3.621 20 0 GHADHO CC(C)Oc1c(Cl)cc(CN2CCC([N@@H+]3CC[C@@H](N)C3)CC2)cc1Cl ZINC001236622557 1041789003 /nfs/dbraw/zinc/78/90/03/1041789003.db2.gz PQRKJNVXDFQPGZ-OAHLLOKOSA-N 1 3 386.367 3.778 20 0 GHADHO CC(C)Oc1c(Cl)cc(CN2CCC([N@H+]3CC[C@@H](N)C3)CC2)cc1Cl ZINC001236622557 1041789004 /nfs/dbraw/zinc/78/90/04/1041789004.db2.gz PQRKJNVXDFQPGZ-OAHLLOKOSA-N 1 3 386.367 3.778 20 0 GHADHO COc1ccccc1C[N@H+](Cc1ccc([O-])c(F)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710039 1041847177 /nfs/dbraw/zinc/84/71/77/1041847177.db2.gz KTEYQHCRKZBDGB-QAQDUYKDSA-N 1 3 376.447 3.951 20 0 GHADHO COc1ccccc1C[N@@H+](Cc1ccc([O-])c(F)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710039 1041847182 /nfs/dbraw/zinc/84/71/82/1041847182.db2.gz KTEYQHCRKZBDGB-QAQDUYKDSA-N 1 3 376.447 3.951 20 0 GHADHO COc1ccc2nc(CN(Cc3ccccc3OC)[C@H]3CC[C@H]([NH3+])CC3)[nH]c2c1 ZINC001236713350 1041849959 /nfs/dbraw/zinc/84/99/59/1041849959.db2.gz AOBFCSXOHOWDQG-IYARVYRRSA-N 1 3 394.519 3.852 20 0 GHADHO COc1ccc(CN(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)n1 ZINC001236782425 1041889632 /nfs/dbraw/zinc/88/96/32/1041889632.db2.gz KFLYIITWMSBPAG-SHTZXODSSA-N 1 3 384.362 3.971 20 0 GHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@@H]12 ZINC001236832663 1041922244 /nfs/dbraw/zinc/92/22/44/1041922244.db2.gz WOZRVYQREDYIDX-KBAYOESNSA-N 1 3 377.410 3.816 20 0 GHADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cccc(-n3cncn3)c1)CC2 ZINC001236880924 1041939098 /nfs/dbraw/zinc/93/90/98/1041939098.db2.gz QQDRKIJJDZLBGN-QFIPXVFZSA-N 1 3 391.519 3.737 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1ccccc1OCCO)CC2 ZINC001237196006 1042088107 /nfs/dbraw/zinc/08/81/07/1042088107.db2.gz ZBGFDHXYHQATBW-QFIPXVFZSA-N 1 3 384.520 3.527 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1ccccc1OCCO)CC2 ZINC001237196006 1042088113 /nfs/dbraw/zinc/08/81/13/1042088113.db2.gz ZBGFDHXYHQATBW-QFIPXVFZSA-N 1 3 384.520 3.527 20 0 GHADHO COc1ccc(-c2ccccc2)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001237310541 1042138973 /nfs/dbraw/zinc/13/89/73/1042138973.db2.gz MFONNPHYABGEKK-UHFFFAOYSA-N 1 3 393.575 3.822 20 0 GHADHO Cc1ccnc2cccc(CN3CC[C@]4(C3)C[N@H+](C)C[C@@H]4COCC3CC3)c12 ZINC001237625122 1042291960 /nfs/dbraw/zinc/29/19/60/1042291960.db2.gz RPIGIKGCFTZDBR-ZJSXRUAMSA-N 1 3 379.548 3.724 20 0 GHADHO Cc1ccnc2cccc(CN3CC[C@]4(C3)C[N@@H+](C)C[C@@H]4COCC3CC3)c12 ZINC001237625122 1042291963 /nfs/dbraw/zinc/29/19/63/1042291963.db2.gz RPIGIKGCFTZDBR-ZJSXRUAMSA-N 1 3 379.548 3.724 20 0 GHADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)c(OCc2ccccc2)c1 ZINC001238344245 1042563421 /nfs/dbraw/zinc/56/34/21/1042563421.db2.gz UFZUBQGLQHNCIP-XZOQPEGZSA-N 1 3 397.538 3.615 20 0 GHADHO CC[N@@H+]1CCc2cc(-c3ccc(C4(N5CCN(C)CC5)CC4)cc3)ccc2C1 ZINC001240582261 1042943153 /nfs/dbraw/zinc/94/31/53/1042943153.db2.gz IFWICRUSVBMGDC-UHFFFAOYSA-N 1 3 375.560 3.968 20 0 GHADHO CC[N@H+]1CCc2cc(-c3ccc(C4(N5CCN(C)CC5)CC4)cc3)ccc2C1 ZINC001240582261 1042943155 /nfs/dbraw/zinc/94/31/55/1042943155.db2.gz IFWICRUSVBMGDC-UHFFFAOYSA-N 1 3 375.560 3.968 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](C3CCN(C(C)(C)C)CC3)C2)C1 ZINC001256569457 1043543077 /nfs/dbraw/zinc/54/30/77/1043543077.db2.gz GFRZECUKOUUEBR-PGRDOPGGSA-N 1 3 397.579 3.920 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](C3CCN(C(C)(C)C)CC3)C2)C1 ZINC001256569457 1043543083 /nfs/dbraw/zinc/54/30/83/1043543083.db2.gz GFRZECUKOUUEBR-PGRDOPGGSA-N 1 3 397.579 3.920 20 0 GHADHO CC(C)(C)N1CCC([NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)CC1 ZINC001256572366 1043547078 /nfs/dbraw/zinc/54/70/78/1043547078.db2.gz PSKAUDSCHBEMFQ-UHFFFAOYSA-N 1 3 383.580 3.907 20 0 GHADHO Fc1cc(-c2ccc(C[NH2+]C3CCC(N4CCOCC4)CC3)cc2F)ccn1 ZINC001256679140 1043616310 /nfs/dbraw/zinc/61/63/10/1043616310.db2.gz FLAKEUIIGBSZFC-UHFFFAOYSA-N 1 3 387.474 3.760 20 0 GHADHO FC(F)(F)c1ncccc1[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256689178 1043623990 /nfs/dbraw/zinc/62/39/90/1043623990.db2.gz SGCAJUXUVCASMK-HTWSVDAQSA-N 1 3 383.458 3.785 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808112 1043664311 /nfs/dbraw/zinc/66/43/11/1043664311.db2.gz DSMDISNRPOJEQJ-MOUTVQLLSA-N 1 3 384.564 3.587 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808112 1043664312 /nfs/dbraw/zinc/66/43/12/1043664312.db2.gz DSMDISNRPOJEQJ-MOUTVQLLSA-N 1 3 384.564 3.587 20 0 GHADHO Brc1cc(CN2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)ccn1 ZINC001278981323 1043770442 /nfs/dbraw/zinc/77/04/42/1043770442.db2.gz UVOYBCWFEGINSA-UHFFFAOYSA-N 1 3 389.341 3.660 20 0 GHADHO Brc1cc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)ccn1 ZINC001278981323 1043770446 /nfs/dbraw/zinc/77/04/46/1043770446.db2.gz UVOYBCWFEGINSA-UHFFFAOYSA-N 1 3 389.341 3.660 20 0 GHADHO CC[C@@H]1C[C@H](N2CCN(c3cc[nH+]cc3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001257141164 1043890063 /nfs/dbraw/zinc/89/00/63/1043890063.db2.gz HEQRAKSVZWFPJZ-RTBURBONSA-N 1 3 388.556 3.690 20 0 GHADHO CC(C)[NH+]1CCC(N2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)CC1 ZINC001257219142 1043940244 /nfs/dbraw/zinc/94/02/44/1043940244.db2.gz ZIJVDSQNYHJVSG-FQEVSTJZSA-N 1 3 391.625 3.676 20 0 GHADHO CNC(=O)N[C@H]1CC2(CCN(C3CC[NH+](C(C)C)CC3)CC2)c2cc(C)ccc21 ZINC001257220456 1043941212 /nfs/dbraw/zinc/94/12/12/1043941212.db2.gz PXDBGQVJTLNWTB-QFIPXVFZSA-N 1 3 398.595 3.575 20 0 GHADHO CC[NH+](CC)CCCN1CCN([C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257563230 1044047927 /nfs/dbraw/zinc/04/79/27/1044047927.db2.gz DKMVVCNRAFGODY-SFHVURJKSA-N 1 3 396.417 3.730 20 0 GHADHO CC(C)C[NH+]1CCC(N2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)CC1 ZINC001258011236 1044337285 /nfs/dbraw/zinc/33/72/85/1044337285.db2.gz CHDJOVVCXCHMFE-UHFFFAOYSA-N 1 3 383.580 3.735 20 0 GHADHO COCC[C@H]1CO[C@]2(C1)CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143655 1044429588 /nfs/dbraw/zinc/42/95/88/1044429588.db2.gz OKWCQRAVUIRRTQ-VWNXMTODSA-N 1 3 386.580 3.601 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578063 1044653238 /nfs/dbraw/zinc/65/32/38/1044653238.db2.gz MCXDPPJEXOFYIS-NZQKXSOJSA-N 1 3 379.548 3.665 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578063 1044653246 /nfs/dbraw/zinc/65/32/46/1044653246.db2.gz MCXDPPJEXOFYIS-NZQKXSOJSA-N 1 3 379.548 3.665 20 0 GHADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)c2)CC1 ZINC001296726146 1045363830 /nfs/dbraw/zinc/36/38/30/1045363830.db2.gz YVHZEVDKFPQSPT-QFIPXVFZSA-N 1 3 384.568 3.564 20 0 GHADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)c2)CC1 ZINC001296726146 1045363837 /nfs/dbraw/zinc/36/38/37/1045363837.db2.gz YVHZEVDKFPQSPT-QFIPXVFZSA-N 1 3 384.568 3.564 20 0 GHADHO CC[NH+](CC)CCSCC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001303508869 1047408747 /nfs/dbraw/zinc/40/87/47/1047408747.db2.gz YORRLDQTQGQPRB-UHFFFAOYSA-N 1 3 391.503 3.781 20 0 GHADHO Cc1ncsc1CN[C@@]12CC[C@@]([NH2+]Cc3cnc(Cl)nc3)(C1)CCC2 ZINC001279180547 1047738624 /nfs/dbraw/zinc/73/86/24/1047738624.db2.gz KLJCXOBIVDOFIU-MSOLQXFVSA-N 1 3 377.945 3.620 20 0 GHADHO CSc1cccc(Cl)c1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001279494348 1047824811 /nfs/dbraw/zinc/82/48/11/1047824811.db2.gz GNLOJZQWIDPNAI-UHFFFAOYSA-N 1 3 382.017 3.911 20 0 GHADHO CSc1cccc(Cl)c1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001279494348 1047824816 /nfs/dbraw/zinc/82/48/16/1047824816.db2.gz GNLOJZQWIDPNAI-UHFFFAOYSA-N 1 3 382.017 3.911 20 0 GHADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3csc(Br)c3)(C1)CCC2 ZINC001279505555 1047827942 /nfs/dbraw/zinc/82/79/42/1047827942.db2.gz PYYUENWIPWAQOB-DLBZAZTESA-N 1 3 386.403 3.597 20 0 GHADHO C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@]23CCN(Cc2ccc(Cl)s2)C3)CC1 ZINC001280310879 1048174244 /nfs/dbraw/zinc/17/42/44/1048174244.db2.gz PEPFLBMOUKQDLU-PXNSSMCTSA-N 1 3 396.000 3.604 20 0 GHADHO C[C@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 ZINC001307508315 1049351467 /nfs/dbraw/zinc/35/14/67/1049351467.db2.gz SSZXKASWPVWSKI-RBBKRZOGSA-N 1 3 385.596 3.773 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954638 1049720937 /nfs/dbraw/zinc/72/09/37/1049720937.db2.gz MTROVESAZXDPKM-VXKWHMMOSA-N 1 3 387.568 3.867 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954638 1049720945 /nfs/dbraw/zinc/72/09/45/1049720945.db2.gz MTROVESAZXDPKM-VXKWHMMOSA-N 1 3 387.568 3.867 20 0 GHADHO CCCOc1cc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)ccc1OC ZINC001308243650 1049924193 /nfs/dbraw/zinc/92/41/93/1049924193.db2.gz BSJYHIZCCBIZAO-UHFFFAOYSA-N 1 3 397.563 3.521 20 0 GHADHO c1ccc(CCN2CC[C@H](C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 ZINC001308247044 1049925391 /nfs/dbraw/zinc/92/53/91/1049925391.db2.gz PTDAJKFCYFZCAC-ILBGXUMGSA-N 1 3 394.559 3.899 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(F)c2OC(F)(F)F)C[C@H](C)O1 ZINC001308281227 1049935766 /nfs/dbraw/zinc/93/57/66/1049935766.db2.gz MNUYSADXSQRVJD-OKILXGFUSA-N 1 3 378.410 3.703 20 0 GHADHO CCOC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001308629154 1050039964 /nfs/dbraw/zinc/03/99/64/1050039964.db2.gz KTXNIOOUMDSKHN-QFIPXVFZSA-N 1 3 396.531 3.582 20 0 GHADHO CCOC(=O)COc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001308629154 1050039968 /nfs/dbraw/zinc/03/99/68/1050039968.db2.gz KTXNIOOUMDSKHN-QFIPXVFZSA-N 1 3 396.531 3.582 20 0 GHADHO CCc1oc2ccccc2c1C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC001327611486 1050233926 /nfs/dbraw/zinc/23/39/26/1050233926.db2.gz NELZHPOQXQHXRK-UHFFFAOYSA-N 1 3 383.536 3.627 20 0 GHADHO CCc1oc2ccccc2c1C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC001327611486 1050233939 /nfs/dbraw/zinc/23/39/39/1050233939.db2.gz NELZHPOQXQHXRK-UHFFFAOYSA-N 1 3 383.536 3.627 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001330565991 1051029320 /nfs/dbraw/zinc/02/93/20/1051029320.db2.gz NGZRFTJSZOMIHD-LQCXBHPOSA-N 1 3 398.595 3.744 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001330565991 1051029327 /nfs/dbraw/zinc/02/93/27/1051029327.db2.gz NGZRFTJSZOMIHD-LQCXBHPOSA-N 1 3 398.595 3.744 20 0 GHADHO CC1CCN([C@H](CNC(=O)c2ccc3c(c2)C[NH2+]CC3)c2cccs2)CC1 ZINC001332495222 1051532615 /nfs/dbraw/zinc/53/26/15/1051532615.db2.gz ZXHLVOGKYOLXSY-HXUWFJFHSA-N 1 3 383.561 3.597 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1O2 ZINC001335345212 1052079366 /nfs/dbraw/zinc/07/93/66/1052079366.db2.gz JKCJLGIAQNJZAD-WOJBJXKFSA-N 1 3 388.458 3.576 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccccc1O2 ZINC001335345524 1052080318 /nfs/dbraw/zinc/08/03/18/1052080318.db2.gz MFHKBZSQZUSFLA-PMACEKPBSA-N 1 3 386.923 3.951 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1O2 ZINC001335345524 1052080327 /nfs/dbraw/zinc/08/03/27/1052080327.db2.gz MFHKBZSQZUSFLA-PMACEKPBSA-N 1 3 386.923 3.951 20 0 GHADHO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)c1ccccc1 ZINC001335468234 1052111263 /nfs/dbraw/zinc/11/12/63/1052111263.db2.gz CXKJSWCKBPGJFH-AANQFLQQSA-N 1 3 394.559 3.678 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC001311492663 1052199941 /nfs/dbraw/zinc/19/99/41/1052199941.db2.gz DDMNMCWIYSFSFX-UXHICEINSA-N 1 3 398.595 3.687 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC001311492663 1052199948 /nfs/dbraw/zinc/19/99/48/1052199948.db2.gz DDMNMCWIYSFSFX-UXHICEINSA-N 1 3 398.595 3.687 20 0 GHADHO CCN1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC001319903717 1055532770 /nfs/dbraw/zinc/53/27/70/1055532770.db2.gz CBKXBGJQVSJUFV-MNEFBYGVSA-N 1 3 381.358 3.991 20 0 GHADHO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001325579468 1057342634 /nfs/dbraw/zinc/34/26/34/1057342634.db2.gz JRQRIGPNDIEJBN-KNKQGSTJSA-N 1 3 392.632 3.553 20 0 GHADHO COc1ccc(C[C@H](C)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849001508 1057508200 /nfs/dbraw/zinc/50/82/00/1057508200.db2.gz QCURLUOQIWUSRX-IBGZPJMESA-N 1 3 394.563 3.652 20 0 GHADHO [NH2+]=C(NCc1ccccc1OC1CCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849091601 1057590534 /nfs/dbraw/zinc/59/05/34/1057590534.db2.gz UZLHRDKEJLIPPM-UHFFFAOYSA-N 1 3 392.547 3.896 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001453210116 1061094858 /nfs/dbraw/zinc/09/48/58/1061094858.db2.gz JRHNGCYFWDXJAA-INIZCTEOSA-N 1 3 385.577 3.516 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001453210116 1061094874 /nfs/dbraw/zinc/09/48/74/1061094874.db2.gz JRHNGCYFWDXJAA-INIZCTEOSA-N 1 3 385.577 3.516 20 0 GHADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001454545327 1061829906 /nfs/dbraw/zinc/82/99/06/1061829906.db2.gz ZRJRFQLIFUGGRJ-FSZRXZPDSA-N 1 3 385.474 3.686 20 0 GHADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001454545327 1061829932 /nfs/dbraw/zinc/82/99/32/1061829932.db2.gz ZRJRFQLIFUGGRJ-FSZRXZPDSA-N 1 3 385.474 3.686 20 0 GHADHO C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC001454848873 1061945358 /nfs/dbraw/zinc/94/53/58/1061945358.db2.gz LDYMWHIBALKSRN-PKTZIBPZSA-N 1 3 379.548 3.850 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(C[N@H+](C)CCOc2ccccc2)cc1)N(C)C ZINC001455811577 1062302899 /nfs/dbraw/zinc/30/28/99/1062302899.db2.gz OQWSPDRFSDQUAL-JOCHJYFZSA-N 1 3 383.536 3.722 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1)N(C)C ZINC001455811577 1062302916 /nfs/dbraw/zinc/30/29/16/1062302916.db2.gz OQWSPDRFSDQUAL-JOCHJYFZSA-N 1 3 383.536 3.722 20 0 GHADHO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCCCC1 ZINC001347725965 1062599527 /nfs/dbraw/zinc/59/95/27/1062599527.db2.gz WPFYPLSUEQHJQQ-SNWXZZBVSA-N 1 3 383.580 3.953 20 0 GHADHO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCCCC1 ZINC001347725965 1062599541 /nfs/dbraw/zinc/59/95/41/1062599541.db2.gz WPFYPLSUEQHJQQ-SNWXZZBVSA-N 1 3 383.580 3.953 20 0 GHADHO C[NH+](C)CCOc1ccccc1N1CCN(CC/C=C\c2ccccc2)CC1 ZINC001459716151 1064183856 /nfs/dbraw/zinc/18/38/56/1064183856.db2.gz MCGQLQFBEKVUJY-WQLSENKSSA-N 1 3 379.548 3.853 20 0 GHADHO CC(C)(CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC001463553428 1064454939 /nfs/dbraw/zinc/45/49/39/1064454939.db2.gz UROGDMGFUQBXHM-IBGZPJMESA-N 1 3 393.522 3.525 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001464785321 1065210041 /nfs/dbraw/zinc/21/00/41/1065210041.db2.gz BVCQQHCNUTVADV-DNQXCXABSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001464785321 1065210047 /nfs/dbraw/zinc/21/00/47/1065210047.db2.gz BVCQQHCNUTVADV-DNQXCXABSA-N 1 3 391.559 3.852 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)N(C)C)cc1 ZINC001468351152 1067699027 /nfs/dbraw/zinc/69/90/27/1067699027.db2.gz MTYHPSOOWGDYFT-YADHBBJMSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)N(C)C)cc1 ZINC001468351152 1067699028 /nfs/dbraw/zinc/69/90/28/1067699028.db2.gz MTYHPSOOWGDYFT-YADHBBJMSA-N 1 3 386.584 3.694 20 0 GHADHO C[C@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCN1Cc1ccccc1 ZINC000849098375 1067726482 /nfs/dbraw/zinc/72/64/82/1067726482.db2.gz ZBNIIZHJNCHHHJ-HSZRJFAPSA-N 1 3 394.519 3.839 20 0 GHADHO CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CC[C@@H]1CCCN1C)CC2 ZINC001460928995 1069279786 /nfs/dbraw/zinc/27/97/86/1069279786.db2.gz BEKRTDMGUVHQQG-RBUKOAKNSA-N 1 3 379.589 3.828 20 0 GHADHO CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001460928995 1069279793 /nfs/dbraw/zinc/27/97/93/1069279793.db2.gz BEKRTDMGUVHQQG-RBUKOAKNSA-N 1 3 379.589 3.828 20 0 GHADHO CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001460928995 1069279800 /nfs/dbraw/zinc/27/98/00/1069279800.db2.gz BEKRTDMGUVHQQG-RBUKOAKNSA-N 1 3 379.589 3.828 20 0 GHADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001470699465 1072691837 /nfs/dbraw/zinc/69/18/37/1072691837.db2.gz AKRAIAGRJGITKX-UHFFFAOYSA-N 1 3 380.621 3.506 20 0 GHADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001470699465 1072691838 /nfs/dbraw/zinc/69/18/38/1072691838.db2.gz AKRAIAGRJGITKX-UHFFFAOYSA-N 1 3 380.621 3.506 20 0 GHADHO CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001470825210 1072757251 /nfs/dbraw/zinc/75/72/51/1072757251.db2.gz WPYJYENMMIMYDB-XZOQPEGZSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001470825210 1072757257 /nfs/dbraw/zinc/75/72/57/1072757257.db2.gz WPYJYENMMIMYDB-XZOQPEGZSA-N 1 3 398.595 3.699 20 0 GHADHO CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001478956661 1079038771 /nfs/dbraw/zinc/03/87/71/1079038771.db2.gz DUARQNJPNUGXLH-ILWGZMRPSA-N 1 3 388.600 3.626 20 0 GHADHO CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001478956661 1079038775 /nfs/dbraw/zinc/03/87/75/1079038775.db2.gz DUARQNJPNUGXLH-ILWGZMRPSA-N 1 3 388.600 3.626 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC001472468970 1073502582 /nfs/dbraw/zinc/50/25/82/1073502582.db2.gz HHZSZFWISBSZCU-NRFANRHFSA-N 1 3 375.557 3.505 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC001472468970 1073502588 /nfs/dbraw/zinc/50/25/88/1073502588.db2.gz HHZSZFWISBSZCU-NRFANRHFSA-N 1 3 375.557 3.505 20 0 GHADHO C[NH+](C)[C@@H](CNC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C)c1ccccc1 ZINC001473311125 1073915783 /nfs/dbraw/zinc/91/57/83/1073915783.db2.gz XCXHWKJMFAJDSX-UNMCSNQZSA-N 1 3 385.527 3.922 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431795791 837570859 /nfs/dbraw/zinc/57/08/59/837570859.db2.gz QSCZBADENDAMAV-OFNKIYASSA-N 1 3 379.548 3.802 20 0 GHADHO COc1cc([C@@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC(C)C ZINC000655685449 837668080 /nfs/dbraw/zinc/66/80/80/837668080.db2.gz DJVDSJMROKIVLW-YLJYHZDGSA-N 1 3 376.541 3.776 20 0 GHADHO C[C@H]1C[C@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177000348 837701538 /nfs/dbraw/zinc/70/15/38/837701538.db2.gz JKIIVIGPRSTNOU-PGRDOPGGSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@H]1C[C@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177000348 837701543 /nfs/dbraw/zinc/70/15/43/837701543.db2.gz JKIIVIGPRSTNOU-PGRDOPGGSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@@H](NC1(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CCCC1)c1ccccc1 ZINC000655725978 837753454 /nfs/dbraw/zinc/75/34/54/837753454.db2.gz OSZCHESSXKXARO-OFNKIYASSA-N 1 3 385.596 3.883 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000150993597 834405992 /nfs/dbraw/zinc/40/59/92/834405992.db2.gz STDHQLQAWPBHDS-KRWDZBQOSA-N 1 3 379.976 3.961 20 0 GHADHO CSc1cc(Br)ccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708155 834547615 /nfs/dbraw/zinc/54/76/15/834547615.db2.gz UKEAWGRGHNEOJR-RRQGHBQHSA-N 1 3 399.398 3.889 20 0 GHADHO CN(C)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757667 837830768 /nfs/dbraw/zinc/83/07/68/837830768.db2.gz WROIUNCNNKYPPR-VQTJNVASSA-N 1 3 399.501 3.541 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274793092 835309192 /nfs/dbraw/zinc/30/91/92/835309192.db2.gz MUZKWNIQXYNLCU-GCJKJVERSA-N 1 3 377.532 3.596 20 0 GHADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1F ZINC000655204667 835383622 /nfs/dbraw/zinc/38/36/22/835383622.db2.gz NTRFTZCPSUYLSW-OAQYLSRUSA-N 1 3 375.532 3.589 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1OC ZINC000658163564 835479830 /nfs/dbraw/zinc/47/98/30/835479830.db2.gz KQDDSEROWSVTLX-SFHVURJKSA-N 1 3 383.536 3.970 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000658168744 835483489 /nfs/dbraw/zinc/48/34/89/835483489.db2.gz YHMOGUUXBSOGST-LJQANCHMSA-N 1 3 375.520 3.830 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CCc4cccnc4CC3)CC2)cc1 ZINC000421822145 835591291 /nfs/dbraw/zinc/59/12/91/835591291.db2.gz VYQPEHZVBZVBLE-DEOSSOPVSA-N 1 3 392.591 3.517 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000513006208 844089217 /nfs/dbraw/zinc/08/92/17/844089217.db2.gz VOFQKAQJCORBEU-HNNXBMFYSA-N 1 3 388.474 3.589 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000513006208 844089227 /nfs/dbraw/zinc/08/92/27/844089227.db2.gz VOFQKAQJCORBEU-HNNXBMFYSA-N 1 3 388.474 3.589 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274923189 835826401 /nfs/dbraw/zinc/82/64/01/835826401.db2.gz PMLFAKTVLRERLC-REWPJTCUSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274923186 835826509 /nfs/dbraw/zinc/82/65/09/835826509.db2.gz PMLFAKTVLRERLC-NFBKMPQASA-N 1 3 391.559 3.809 20 0 GHADHO Cn1c(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc2c1cccc2F ZINC000180173325 836102265 /nfs/dbraw/zinc/10/22/65/836102265.db2.gz LYQCELIHFPJCQK-IRFCIJBXSA-N 1 3 392.522 3.755 20 0 GHADHO O=C1[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1c1ccc(Cl)cc1 ZINC000237702237 837309880 /nfs/dbraw/zinc/30/98/80/837309880.db2.gz VINOCHRAWPFIQH-QFIPXVFZSA-N 1 3 397.950 3.742 20 0 GHADHO c1c(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000030907150 837348997 /nfs/dbraw/zinc/34/89/97/837348997.db2.gz UBWJHEVFRRVXST-HXUWFJFHSA-N 1 3 387.531 3.567 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000565242565 837835701 /nfs/dbraw/zinc/83/57/01/837835701.db2.gz PDCWDANAPWOVFN-MSOLQXFVSA-N 1 3 393.325 3.663 20 0 GHADHO Brc1ccc(/C=C/CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655772772 837845327 /nfs/dbraw/zinc/84/53/27/837845327.db2.gz MMUZSOHMXXPQFT-UJXFUWLCSA-N 1 3 379.342 3.695 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1 ZINC000415930785 838280158 /nfs/dbraw/zinc/28/01/58/838280158.db2.gz JOPWKDPNRWVTNQ-IBGZPJMESA-N 1 3 380.536 3.782 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000415940090 838292732 /nfs/dbraw/zinc/29/27/32/838292732.db2.gz CWIXVTHKXGGSRH-UHFFFAOYSA-N 1 3 380.536 3.924 20 0 GHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972301 838340702 /nfs/dbraw/zinc/34/07/02/838340702.db2.gz HZOCVANGEFVIIO-UHFFFAOYSA-N 1 3 394.441 3.760 20 0 GHADHO OC[C@H](CNC1CC[NH+](C2CCCC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000537956818 838647193 /nfs/dbraw/zinc/64/71/93/838647193.db2.gz HXAVADFYOXXFRN-KRWDZBQOSA-N 1 3 384.486 3.853 20 0 GHADHO OC[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000537956818 838647198 /nfs/dbraw/zinc/64/71/98/838647198.db2.gz HXAVADFYOXXFRN-KRWDZBQOSA-N 1 3 384.486 3.853 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCCC[NH2+]C1CC1 ZINC000415067741 839157352 /nfs/dbraw/zinc/15/73/52/839157352.db2.gz LIZGIIDKVTUABM-NSHDSACASA-N 1 3 377.838 3.808 20 0 GHADHO Brc1cccc(OCCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415072838 839170073 /nfs/dbraw/zinc/17/00/73/839170073.db2.gz AEBORYUXKGPZGI-HKUYNNGSSA-N 1 3 375.310 3.911 20 0 GHADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000415137140 839261662 /nfs/dbraw/zinc/26/16/62/839261662.db2.gz XTTALYQCYMAAFD-LADGPHEKSA-N 1 3 380.532 3.984 20 0 GHADHO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000378563596 839340373 /nfs/dbraw/zinc/34/03/73/839340373.db2.gz SLRQXWLXHLQUHO-MJGOQNOKSA-N 1 3 385.939 3.570 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1Cn1cccn1 ZINC000160497983 839545293 /nfs/dbraw/zinc/54/52/93/839545293.db2.gz WDRZAPNGWXWXAP-SFHVURJKSA-N 1 3 382.552 3.998 20 0 GHADHO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000580696672 840026543 /nfs/dbraw/zinc/02/65/43/840026543.db2.gz DSRGHPDDRPTPEH-BDTNDASRSA-N 1 3 378.520 3.573 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ccsc1 ZINC000417005965 840361977 /nfs/dbraw/zinc/36/19/77/840361977.db2.gz JFVWLYGQIOSZJH-MOPGFXCFSA-N 1 3 392.613 3.551 20 0 GHADHO [NH3+]CCC[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000417046973 840406411 /nfs/dbraw/zinc/40/64/11/840406411.db2.gz ZYHPZSFDEXCLSM-FCHUYYIVSA-N 1 3 380.536 3.603 20 0 GHADHO CCC1(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CCN(Cc2ccccc2)CC1 ZINC000511808667 840827533 /nfs/dbraw/zinc/82/75/33/840827533.db2.gz PIMHJFYLFQUDNH-NHCUHLMSSA-N 1 3 392.609 3.624 20 0 GHADHO c1c2cnccc2oc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000651681525 841325782 /nfs/dbraw/zinc/32/57/82/841325782.db2.gz SDLCZAJCCUOEMC-UHFFFAOYSA-N 1 3 378.520 3.515 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccsc1 ZINC000660338644 841453782 /nfs/dbraw/zinc/45/37/82/841453782.db2.gz LIHHPRCCKDXFGV-FQEVSTJZSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000303432778 841995425 /nfs/dbraw/zinc/99/54/25/841995425.db2.gz CQKHBYQTXSTQJL-OAQYLSRUSA-N 1 3 397.607 3.664 20 0 GHADHO Cc1ccc([C@@H](OC[C@@H](O)CNC2CC[NH+](C(C)C)CC2)c2ccccc2)cc1 ZINC000581879521 842366341 /nfs/dbraw/zinc/36/63/41/842366341.db2.gz NDNUGAWSSMLCML-DQEYMECFSA-N 1 3 396.575 3.924 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471768026 842424170 /nfs/dbraw/zinc/42/41/70/842424170.db2.gz IHDIJPSNWVABMH-DHIUTWEWSA-N 1 3 379.548 3.561 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000510544820 842938711 /nfs/dbraw/zinc/93/87/11/842938711.db2.gz JMCJKEPQWQTKBQ-YVNJGZBMSA-N 1 3 398.595 3.774 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000510544820 842938716 /nfs/dbraw/zinc/93/87/16/842938716.db2.gz JMCJKEPQWQTKBQ-YVNJGZBMSA-N 1 3 398.595 3.774 20 0 GHADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000662283969 843069632 /nfs/dbraw/zinc/06/96/32/843069632.db2.gz WJYUPPKKQUUPNL-QGZVFWFLSA-N 1 3 386.499 3.830 20 0 GHADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297197 843092794 /nfs/dbraw/zinc/09/27/94/843092794.db2.gz OHVBQFNNVTVAPN-XLIONFOSSA-N 1 3 383.536 3.664 20 0 GHADHO C[C@@H]1CCCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662314557 843130152 /nfs/dbraw/zinc/13/01/52/843130152.db2.gz NSHRHBAMYAJMDC-DYESRHJHSA-N 1 3 395.551 3.528 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662388914 843185131 /nfs/dbraw/zinc/18/51/31/843185131.db2.gz QERLRAPKGAHMDE-JPYJTQIMSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662388914 843185136 /nfs/dbraw/zinc/18/51/36/843185136.db2.gz QERLRAPKGAHMDE-JPYJTQIMSA-N 1 3 377.532 3.769 20 0 GHADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc2c(s1)CCNC2 ZINC000662425958 843218114 /nfs/dbraw/zinc/21/81/14/843218114.db2.gz PQQQPWQXBQQPIQ-UHFFFAOYSA-N 1 3 383.561 3.700 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000662426035 843224003 /nfs/dbraw/zinc/22/40/03/843224003.db2.gz RMMJKNRKPQFTGU-HSZRJFAPSA-N 1 3 377.532 3.913 20 0 GHADHO c1ccc(CN2CC[C@]3(CC[N@@H+](CCc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000512284744 843318822 /nfs/dbraw/zinc/31/88/22/843318822.db2.gz CTKBIZLIXOCECR-DEOSSOPVSA-N 1 3 388.515 3.877 20 0 GHADHO c1ccc(CN2CC[C@]3(CC[N@H+](CCc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000512284744 843318836 /nfs/dbraw/zinc/31/88/36/843318836.db2.gz CTKBIZLIXOCECR-DEOSSOPVSA-N 1 3 388.515 3.877 20 0 GHADHO CCCN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000662689612 843520395 /nfs/dbraw/zinc/52/03/95/843520395.db2.gz XCXQYQLDZZQMJJ-NRFANRHFSA-N 1 3 377.532 3.807 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418684950 843532407 /nfs/dbraw/zinc/53/24/07/843532407.db2.gz YSOPKXFVLMBLKO-NFBKMPQASA-N 1 3 394.563 3.773 20 0 GHADHO C[C@H]1C[C@H](CCNC(=O)N2CCN(C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512412757 843725609 /nfs/dbraw/zinc/72/56/09/843725609.db2.gz RBRSHHFERZIOBZ-UNMCSNQZSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1C[C@H](CCNC(=O)N2CCN(C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412757 843725614 /nfs/dbraw/zinc/72/56/14/843725614.db2.gz RBRSHHFERZIOBZ-UNMCSNQZSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H](c1ccccc1)N(C)C ZINC000500670368 843802133 /nfs/dbraw/zinc/80/21/33/843802133.db2.gz UNXPQNBBKOKPRR-HPBDAGMYSA-N 1 3 399.501 3.703 20 0 GHADHO C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H](c1ccccc1)N(C)C ZINC000500670368 843802138 /nfs/dbraw/zinc/80/21/38/843802138.db2.gz UNXPQNBBKOKPRR-HPBDAGMYSA-N 1 3 399.501 3.703 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(C[C@@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477943 843958271 /nfs/dbraw/zinc/95/82/71/843958271.db2.gz AQPAFYZHVJIMCT-ZEQKJWHPSA-N 1 3 389.587 3.684 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C[C@@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477943 843958277 /nfs/dbraw/zinc/95/82/77/843958277.db2.gz AQPAFYZHVJIMCT-ZEQKJWHPSA-N 1 3 389.587 3.684 20 0 GHADHO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000512669330 844977755 /nfs/dbraw/zinc/97/77/55/844977755.db2.gz ZNFSMMQXQRXJMC-URYYLNOGSA-N 1 3 397.607 3.960 20 0 GHADHO Cc1ccc2[nH]c(C[NH2+]Cc3ccc(CN4CCN(C)CC4)cc3)cc2c1C ZINC000472072397 845701777 /nfs/dbraw/zinc/70/17/77/845701777.db2.gz HYBPLCDXTZSNCA-UHFFFAOYSA-N 1 3 376.548 3.822 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000156913920 845754137 /nfs/dbraw/zinc/75/41/37/845754137.db2.gz VWCIURBQYSHPCK-GMAHTHKFSA-N 1 3 395.547 3.633 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000156913920 845754142 /nfs/dbraw/zinc/75/41/42/845754142.db2.gz VWCIURBQYSHPCK-GMAHTHKFSA-N 1 3 395.547 3.633 20 0 GHADHO OCCOc1ccc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513655041 846197231 /nfs/dbraw/zinc/19/72/31/846197231.db2.gz KRZVFTXDCYGPSA-ICDZXHCJSA-N 1 3 394.559 3.838 20 0 GHADHO OCCOc1ccc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513655041 846197237 /nfs/dbraw/zinc/19/72/37/846197237.db2.gz KRZVFTXDCYGPSA-ICDZXHCJSA-N 1 3 394.559 3.838 20 0 GHADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000414545181 846471386 /nfs/dbraw/zinc/47/13/86/846471386.db2.gz DNSFTJITHYEZQY-UHFFFAOYSA-N 1 3 390.531 3.502 20 0 GHADHO CC1CC[NH+](CCCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000502806094 846489550 /nfs/dbraw/zinc/48/95/50/846489550.db2.gz YIUDLYXKYHGPRW-IBGZPJMESA-N 1 3 392.613 3.696 20 0 GHADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064418 846595757 /nfs/dbraw/zinc/59/57/57/846595757.db2.gz WTBBWTJPITXROS-RBUKOAKNSA-N 1 3 392.547 3.596 20 0 GHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC000501116599 846663837 /nfs/dbraw/zinc/66/38/37/846663837.db2.gz LAAZYTACDUGFBK-UHFFFAOYSA-N 1 3 385.596 3.782 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC000501116599 846663840 /nfs/dbraw/zinc/66/38/40/846663840.db2.gz LAAZYTACDUGFBK-UHFFFAOYSA-N 1 3 385.596 3.782 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OC)c(OC)c1 ZINC000272761597 847164527 /nfs/dbraw/zinc/16/45/27/847164527.db2.gz QHUBYGJGWUTOSY-YADHBBJMSA-N 1 3 398.547 3.901 20 0 GHADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(OC)c(OC)c1 ZINC000272761597 847164533 /nfs/dbraw/zinc/16/45/33/847164533.db2.gz QHUBYGJGWUTOSY-YADHBBJMSA-N 1 3 398.547 3.901 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000501791672 847186623 /nfs/dbraw/zinc/18/66/23/847186623.db2.gz AXBPOQGDLUXSLA-IRXDYDNUSA-N 1 3 379.976 3.960 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000657429741 847243500 /nfs/dbraw/zinc/24/35/00/847243500.db2.gz KAFPPSVIBVRJCC-BPUDTRNYSA-N 1 3 380.532 3.855 20 0 GHADHO Brc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422711961 847779972 /nfs/dbraw/zinc/77/99/72/847779972.db2.gz NOIIMWLAROHQFZ-DSLXNQLJSA-N 1 3 378.358 3.538 20 0 GHADHO FC(F)(F)Oc1cccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422734488 847789177 /nfs/dbraw/zinc/78/91/77/847789177.db2.gz SKNFKZBKGKPIDM-WQANXHIZSA-N 1 3 383.458 3.674 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000422799234 847827944 /nfs/dbraw/zinc/82/79/44/847827944.db2.gz VVCHQYYGQNTJQR-QWHCGFSZSA-N 1 3 378.314 3.729 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422799516 847828596 /nfs/dbraw/zinc/82/85/96/847828596.db2.gz XCRNVMRFHNBIHF-INIZCTEOSA-N 1 3 381.520 3.783 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N2CCC(C[NH+](C)C)CC2)c2cccs2)CC1 ZINC000611663419 847835738 /nfs/dbraw/zinc/83/57/38/847835738.db2.gz SIXGLRXROHNXQJ-IBGZPJMESA-N 1 3 392.613 3.504 20 0 GHADHO COc1cc2[nH]c(CCC[NH2+][C@@H](C)c3ccc(CN)nc3C)cc2c(OC)c1 ZINC000422850725 847853790 /nfs/dbraw/zinc/85/37/90/847853790.db2.gz DKOWFSKGTHTGNI-AWEZNQCLSA-N 1 3 382.508 3.631 20 0 GHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1CN(C)Cc1ccco1 ZINC000423009264 847936039 /nfs/dbraw/zinc/93/60/39/847936039.db2.gz VJWWRCFRCDTSHW-DVECYGJZSA-N 1 3 377.532 3.960 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN1Cc1ccccc1 ZINC000657613255 848326958 /nfs/dbraw/zinc/32/69/58/848326958.db2.gz JSHNLMRFDPHSFD-GBXCKJPGSA-N 1 3 378.564 3.546 20 0 GHADHO COc1cccc(-c2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)c1OC ZINC000583087640 849036301 /nfs/dbraw/zinc/03/63/01/849036301.db2.gz ZBCXJQDRMLOOJJ-HOTGVXAUSA-N 1 3 387.549 3.649 20 0 GHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423192833 849799097 /nfs/dbraw/zinc/79/90/97/849799097.db2.gz UZVJXUIDFPWQTF-LPHOPBHVSA-N 1 3 380.374 3.521 20 0 GHADHO C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000434894185 849863702 /nfs/dbraw/zinc/86/37/02/849863702.db2.gz FTEDDIQGTXWXNP-HYBUGGRVSA-N 1 3 391.559 3.777 20 0 GHADHO CC(C)[N@@H+]1CCc2nc(CN3CCC(c4ncc5n4CCCC5)CC3)sc2C1 ZINC000435057102 850030991 /nfs/dbraw/zinc/03/09/91/850030991.db2.gz BBEDAGRFFMHRKE-UHFFFAOYSA-N 1 3 399.608 3.822 20 0 GHADHO CC(C)[N@H+]1CCc2nc(CN3CCC(c4ncc5n4CCCC5)CC3)sc2C1 ZINC000435057102 850030998 /nfs/dbraw/zinc/03/09/98/850030998.db2.gz BBEDAGRFFMHRKE-UHFFFAOYSA-N 1 3 399.608 3.822 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000664372843 850144147 /nfs/dbraw/zinc/14/41/47/850144147.db2.gz BBOQGZXDZDYRCZ-QFIPXVFZSA-N 1 3 380.536 3.529 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000664372843 850144151 /nfs/dbraw/zinc/14/41/51/850144151.db2.gz BBOQGZXDZDYRCZ-QFIPXVFZSA-N 1 3 380.536 3.529 20 0 GHADHO COc1cc(CN2CCC(OCCC[NH3+])CC2)ccc1OCc1cccs1 ZINC000435389900 850458293 /nfs/dbraw/zinc/45/82/93/850458293.db2.gz NAWSIVBSMKXVSX-UHFFFAOYSA-N 1 3 390.549 3.666 20 0 GHADHO COc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1OCc1ccccc1 ZINC000435393133 850461449 /nfs/dbraw/zinc/46/14/49/850461449.db2.gz ZEJIOAZRAHKABY-UHFFFAOYSA-N 1 3 384.520 3.604 20 0 GHADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000519077506 850574907 /nfs/dbraw/zinc/57/49/07/850574907.db2.gz ITTZNKGUTMIPSU-MSOLQXFVSA-N 1 3 380.602 3.551 20 0 GHADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)ccc1OC ZINC000519201259 850753485 /nfs/dbraw/zinc/75/34/85/850753485.db2.gz DLJGBCSGQIIBPX-BZSNNMDCSA-N 1 3 391.556 3.616 20 0 GHADHO C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000487819748 850911762 /nfs/dbraw/zinc/91/17/62/850911762.db2.gz QPIUTXDZTSRXAU-XMSQKQJNSA-N 1 3 386.584 3.632 20 0 GHADHO Cc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1-n1cncn1 ZINC000569979432 851150056 /nfs/dbraw/zinc/15/00/56/851150056.db2.gz SZLCOFOFJPWASH-PKTZIBPZSA-N 1 3 387.531 3.530 20 0 GHADHO Cc1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1-n1cncn1 ZINC000569979432 851150062 /nfs/dbraw/zinc/15/00/62/851150062.db2.gz SZLCOFOFJPWASH-PKTZIBPZSA-N 1 3 387.531 3.530 20 0 GHADHO CCCCOc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000415131038 851363829 /nfs/dbraw/zinc/36/38/29/851363829.db2.gz RTGGXSNECYIPCH-DENIHFKCSA-N 1 3 376.541 3.592 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccsc1 ZINC000514248124 851473783 /nfs/dbraw/zinc/47/37/83/851473783.db2.gz MJXSHISUXNCCBB-IEBWSBKVSA-N 1 3 380.602 3.551 20 0 GHADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000111241110 851578060 /nfs/dbraw/zinc/57/80/60/851578060.db2.gz PMPNIJCCFWQJSV-MRXNPFEDSA-N 1 3 375.340 3.539 20 0 GHADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000111241110 851578070 /nfs/dbraw/zinc/57/80/70/851578070.db2.gz PMPNIJCCFWQJSV-MRXNPFEDSA-N 1 3 375.340 3.539 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167979292 851939624 /nfs/dbraw/zinc/93/96/24/851939624.db2.gz ZRGKNEQRMZAKON-SOUXKNCUSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167979292 851939630 /nfs/dbraw/zinc/93/96/30/851939630.db2.gz ZRGKNEQRMZAKON-SOUXKNCUSA-N 1 3 377.573 3.771 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000489233961 852151730 /nfs/dbraw/zinc/15/17/30/852151730.db2.gz RDHKAWKIEZOQPJ-PGRDOPGGSA-N 1 3 382.552 3.629 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000489233961 852151735 /nfs/dbraw/zinc/15/17/35/852151735.db2.gz RDHKAWKIEZOQPJ-PGRDOPGGSA-N 1 3 382.552 3.629 20 0 GHADHO CCCN(C(=O)NCc1ccc(C[NH3+])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000516179553 852249830 /nfs/dbraw/zinc/24/98/30/852249830.db2.gz YLMGCVNYJLWGPI-HSZRJFAPSA-N 1 3 394.563 3.732 20 0 GHADHO O=C1CCC2(CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)N1CC1CC1 ZINC001167961460 852541904 /nfs/dbraw/zinc/54/19/04/852541904.db2.gz LLGPMHSZGXPFFK-QSCOUWLOSA-N 1 3 385.596 3.695 20 0 GHADHO O[C@@H](CNC1CC[NH+](CC2CC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000519598662 852773256 /nfs/dbraw/zinc/77/32/56/852773256.db2.gz RNPRURIZSSCLAU-FQEVSTJZSA-N 1 3 377.532 3.619 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000490168372 852802330 /nfs/dbraw/zinc/80/23/30/852802330.db2.gz UVEBVRFRBAFHAK-WZONZLPQSA-N 1 3 385.527 3.539 20 0 GHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4CN(Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000439143908 853339340 /nfs/dbraw/zinc/33/93/40/853339340.db2.gz VITMBNULHLOKBL-MDNUFGMLSA-N 1 3 393.579 3.577 20 0 GHADHO CC[NH+]1CCC(N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000426288536 853342081 /nfs/dbraw/zinc/34/20/81/853342081.db2.gz JKJGCXQIYJCMRH-NFBKMPQASA-N 1 3 384.495 3.651 20 0 GHADHO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490963908 853374473 /nfs/dbraw/zinc/37/44/73/853374473.db2.gz IMQURMMCRLIKJU-SQJMNOBHSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490963908 853374482 /nfs/dbraw/zinc/37/44/82/853374482.db2.gz IMQURMMCRLIKJU-SQJMNOBHSA-N 1 3 393.575 3.723 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000491002034 853398077 /nfs/dbraw/zinc/39/80/77/853398077.db2.gz AHOMWJVVAREHCL-CYFREDJKSA-N 1 3 399.554 3.787 20 0 GHADHO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766046127 862466937 /nfs/dbraw/zinc/46/69/37/862466937.db2.gz WVDMFQYYVJOTDA-CJNGLKHVSA-N 1 3 376.513 3.700 20 0 GHADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1ccc2ccccc2c1 ZINC000519843669 853536161 /nfs/dbraw/zinc/53/61/61/853536161.db2.gz RKDJYOANUSUUAB-XMMPIXPASA-N 1 3 390.527 3.965 20 0 GHADHO CCOc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OCC(F)(F)F ZINC000571164810 853776506 /nfs/dbraw/zinc/77/65/06/853776506.db2.gz BWVRJIFDUUKXFJ-KRWDZBQOSA-N 1 3 386.458 3.990 20 0 GHADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891165 862505284 /nfs/dbraw/zinc/50/52/84/862505284.db2.gz GCFBNZAXNBJKIB-STQMWFEESA-N 1 3 391.300 3.615 20 0 GHADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891165 862505285 /nfs/dbraw/zinc/50/52/85/862505285.db2.gz GCFBNZAXNBJKIB-STQMWFEESA-N 1 3 391.300 3.615 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCC(C)(C)c3ccccc32)c1 ZINC000481924359 862530045 /nfs/dbraw/zinc/53/00/45/862530045.db2.gz KUIIBZZGFNHJFN-JOCHJYFZSA-N 1 3 379.548 3.880 20 0 GHADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000571789565 854156289 /nfs/dbraw/zinc/15/62/89/854156289.db2.gz RIAUZCJGKLLFGU-ZACQAIPSSA-N 1 3 394.357 3.596 20 0 GHADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000589205246 854749104 /nfs/dbraw/zinc/74/91/04/854749104.db2.gz YWVOHBHTNSATPR-ZWKOTPCHSA-N 1 3 380.602 3.551 20 0 GHADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000589205246 854749113 /nfs/dbraw/zinc/74/91/13/854749113.db2.gz YWVOHBHTNSATPR-ZWKOTPCHSA-N 1 3 380.602 3.551 20 0 GHADHO COc1ccc([C@@H]2C[C@@H](N3CCC([NH3+])(c4ccccc4OC)CC3)CCO2)cc1 ZINC001168616717 855057012 /nfs/dbraw/zinc/05/70/12/855057012.db2.gz OCHBSLFCGLVUCL-CVDCTZTESA-N 1 3 396.531 3.874 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(OCCO)CCC(F)(F)CC3)CC2)C1 ZINC000624102042 862652374 /nfs/dbraw/zinc/65/23/74/862652374.db2.gz IXAVQCZPQQRIPH-IEBWSBKVSA-N 1 3 388.543 3.576 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)c(C)c2)CC1 ZINC000591107189 855778301 /nfs/dbraw/zinc/77/83/01/855778301.db2.gz WANHNTFOYFNCBX-JOCHJYFZSA-N 1 3 386.584 3.586 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000573079040 855857115 /nfs/dbraw/zinc/85/71/15/855857115.db2.gz PNUPGXDGDKZSQW-GGAORHGYSA-N 1 3 387.531 3.530 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000573079040 855857118 /nfs/dbraw/zinc/85/71/18/855857118.db2.gz PNUPGXDGDKZSQW-GGAORHGYSA-N 1 3 387.531 3.530 20 0 GHADHO CCc1cc(C)cc(CC)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000280833736 855879362 /nfs/dbraw/zinc/87/93/62/855879362.db2.gz VMDWRXOGEBVNOP-UHFFFAOYSA-N 1 3 386.584 3.800 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)N(C)C)cc1 ZINC000303758167 856150493 /nfs/dbraw/zinc/15/04/93/856150493.db2.gz DMIUEFXDFUYTNR-OAQYLSRUSA-N 1 3 398.551 3.668 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000187023410 856395046 /nfs/dbraw/zinc/39/50/46/856395046.db2.gz OOKCLKMBYXCODO-DYESRHJHSA-N 1 3 386.536 3.636 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427708968 856619653 /nfs/dbraw/zinc/61/96/53/856619653.db2.gz DZNMOKIWPOEMFR-VAMGGRTRSA-N 1 3 397.485 3.835 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658167687 856907129 /nfs/dbraw/zinc/90/71/29/856907129.db2.gz SZAJIBFTYCPVGI-IBGZPJMESA-N 1 3 380.536 3.609 20 0 GHADHO COCC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000520962261 857443464 /nfs/dbraw/zinc/44/34/64/857443464.db2.gz ZNYIRNZRPHUJFU-UHFFFAOYSA-N 1 3 394.519 3.641 20 0 GHADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000063332230 857609542 /nfs/dbraw/zinc/60/95/42/857609542.db2.gz WGNGXKMVGZQIQH-HSZRJFAPSA-N 1 3 398.595 3.605 20 0 GHADHO C[N@H+](CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000065865529 857868219 /nfs/dbraw/zinc/86/82/19/857868219.db2.gz QSVIGYVDKHVPLR-FQEVSTJZSA-N 1 3 389.559 3.809 20 0 GHADHO C[N@@H+](CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000065865529 857868223 /nfs/dbraw/zinc/86/82/23/857868223.db2.gz QSVIGYVDKHVPLR-FQEVSTJZSA-N 1 3 389.559 3.809 20 0 GHADHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442871830 858188867 /nfs/dbraw/zinc/18/88/67/858188867.db2.gz HEQWKGVQRRGMQU-QGZVFWFLSA-N 1 3 386.609 3.719 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)c1ccco1 ZINC000575085422 858578006 /nfs/dbraw/zinc/57/80/06/858578006.db2.gz MFYAJPJHUKNVPK-YJBOKZPZSA-N 1 3 383.492 3.947 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000157622984 858657361 /nfs/dbraw/zinc/65/73/61/858657361.db2.gz RQFHMAKENXYYNT-MOPGFXCFSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000157622984 858657368 /nfs/dbraw/zinc/65/73/68/858657368.db2.gz RQFHMAKENXYYNT-MOPGFXCFSA-N 1 3 390.535 3.745 20 0 GHADHO CC(C)Sc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482862281 858925381 /nfs/dbraw/zinc/92/53/81/858925381.db2.gz DGZSYUSNMVXYRL-KRWDZBQOSA-N 1 3 377.598 3.780 20 0 GHADHO COc1ccc(C[C@H](CO)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168022584 859024820 /nfs/dbraw/zinc/02/48/20/859024820.db2.gz TYOCDVCWUFNAII-IYRWYFENSA-N 1 3 382.548 3.630 20 0 GHADHO COc1ccc(C[C@H](CO)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168022584 859024826 /nfs/dbraw/zinc/02/48/26/859024826.db2.gz TYOCDVCWUFNAII-IYRWYFENSA-N 1 3 382.548 3.630 20 0 GHADHO COc1ccc(C[C@H](CO)NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001168022573 859024890 /nfs/dbraw/zinc/02/48/90/859024890.db2.gz TYOCDVCWUFNAII-DNVFCKCGSA-N 1 3 382.548 3.630 20 0 GHADHO c1ccc(N2CCN(CCCN3CCC[N@H+](CC4CCCCC4)CC3)CC2)cc1 ZINC000509328198 859067769 /nfs/dbraw/zinc/06/77/69/859067769.db2.gz PCALASHXUIUMOM-UHFFFAOYSA-N 1 3 398.639 3.787 20 0 GHADHO c1ccc(N2CCN(CCCN3CCC[N@@H+](CC4CCCCC4)CC3)CC2)cc1 ZINC000509328198 859067773 /nfs/dbraw/zinc/06/77/73/859067773.db2.gz PCALASHXUIUMOM-UHFFFAOYSA-N 1 3 398.639 3.787 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000543418458 859658965 /nfs/dbraw/zinc/65/89/65/859658965.db2.gz VIKTYSNPRDCOJQ-ROUUACIJSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000543418458 859658971 /nfs/dbraw/zinc/65/89/71/859658971.db2.gz VIKTYSNPRDCOJQ-ROUUACIJSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000764906192 859661649 /nfs/dbraw/zinc/66/16/49/859661649.db2.gz YBFVPKBKKNHPFU-YADHBBJMSA-N 1 3 393.575 3.914 20 0 GHADHO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000764906185 859661743 /nfs/dbraw/zinc/66/17/43/859661743.db2.gz YBFVPKBKKNHPFU-FCHUYYIVSA-N 1 3 393.575 3.914 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCO1 ZINC000544361749 859680023 /nfs/dbraw/zinc/68/00/23/859680023.db2.gz ZVNYUPXWTGPTFO-FXAWDEMLSA-N 1 3 399.501 3.765 20 0 GHADHO CSc1cc2c(cc1C[NH2+]C[C@H]1CCN(Cc3ccccc3)C1)OCCO2 ZINC000383739424 859691169 /nfs/dbraw/zinc/69/11/69/859691169.db2.gz HFFRBVLBDVEKMD-GOSISDBHSA-N 1 3 384.545 3.791 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(N(C)C)c3)C2)ccn1 ZINC000856601052 881575275 /nfs/dbraw/zinc/57/52/75/881575275.db2.gz ZQHYHJLXNHBVIF-HSZRJFAPSA-N 1 3 382.552 3.641 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(N(C)C)c3)C2)ccn1 ZINC000856601052 881575281 /nfs/dbraw/zinc/57/52/81/881575281.db2.gz ZQHYHJLXNHBVIF-HSZRJFAPSA-N 1 3 382.552 3.641 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000482551179 863296873 /nfs/dbraw/zinc/29/68/73/863296873.db2.gz BEOSJUBQUAHZLI-QUCCMNQESA-N 1 3 381.520 3.717 20 0 GHADHO C[C@H]1CC(N2CCC(NC(=O)C3CCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050959 863509004 /nfs/dbraw/zinc/50/90/04/863509004.db2.gz DUQJYFQJRXGTHF-OALUTQOASA-N 1 3 383.580 3.809 20 0 GHADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000444173509 863590928 /nfs/dbraw/zinc/59/09/28/863590928.db2.gz ZYVINEUZQIVMEA-KRWDZBQOSA-N 1 3 382.346 3.584 20 0 GHADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000444173509 863590935 /nfs/dbraw/zinc/59/09/35/863590935.db2.gz ZYVINEUZQIVMEA-KRWDZBQOSA-N 1 3 382.346 3.584 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(C4CCCCC4)cc3)CC2)CC1 ZINC000667641463 864284194 /nfs/dbraw/zinc/28/41/94/864284194.db2.gz UTDDVZOHFWCWCR-UHFFFAOYSA-N 1 3 397.607 3.952 20 0 GHADHO CC(=O)N1CC[C@@H](NCc2ccc(OC3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000621761825 864410734 /nfs/dbraw/zinc/41/07/34/864410734.db2.gz OBBYSASVDCWTIN-HSZRJFAPSA-N 1 3 393.531 3.747 20 0 GHADHO CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165645410 864687618 /nfs/dbraw/zinc/68/76/18/864687618.db2.gz ILSQCGOZTOIGFY-JOCHJYFZSA-N 1 3 399.579 3.603 20 0 GHADHO CC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165645290 864688092 /nfs/dbraw/zinc/68/80/92/864688092.db2.gz ILSQCGOZTOIGFY-QFIPXVFZSA-N 1 3 399.579 3.603 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)CC1 ZINC000480462696 864698459 /nfs/dbraw/zinc/69/84/59/864698459.db2.gz CVNJJOQEDSUGAL-OFVILXPXSA-N 1 3 395.591 3.548 20 0 GHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000480617624 864975274 /nfs/dbraw/zinc/97/52/74/864975274.db2.gz YTYHGTMVIQJEGZ-WMZHIEFXSA-N 1 3 395.547 3.914 20 0 GHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000480617624 864975283 /nfs/dbraw/zinc/97/52/83/864975283.db2.gz YTYHGTMVIQJEGZ-WMZHIEFXSA-N 1 3 395.547 3.914 20 0 GHADHO COCCN(C)c1ccc(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cn1 ZINC000480658448 865054373 /nfs/dbraw/zinc/05/43/73/865054373.db2.gz KMYDSCWKSKBGOG-FQEVSTJZSA-N 1 3 396.579 3.828 20 0 GHADHO COCCN(C)c1ccc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cn1 ZINC000480658448 865054385 /nfs/dbraw/zinc/05/43/85/865054385.db2.gz KMYDSCWKSKBGOG-FQEVSTJZSA-N 1 3 396.579 3.828 20 0 GHADHO COCCN(C)c1ccc(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cn1 ZINC000480658449 865054576 /nfs/dbraw/zinc/05/45/76/865054576.db2.gz KMYDSCWKSKBGOG-HXUWFJFHSA-N 1 3 396.579 3.828 20 0 GHADHO COCCN(C)c1ccc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cn1 ZINC000480658449 865054581 /nfs/dbraw/zinc/05/45/81/865054581.db2.gz KMYDSCWKSKBGOG-HXUWFJFHSA-N 1 3 396.579 3.828 20 0 GHADHO COCC[N@H+](C)CCCN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000480770055 865229006 /nfs/dbraw/zinc/22/90/06/865229006.db2.gz RDDCNHASQQDIGP-QGZVFWFLSA-N 1 3 377.529 3.885 20 0 GHADHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000480770055 865229019 /nfs/dbraw/zinc/22/90/19/865229019.db2.gz RDDCNHASQQDIGP-QGZVFWFLSA-N 1 3 377.529 3.885 20 0 GHADHO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000480898319 865481848 /nfs/dbraw/zinc/48/18/48/865481848.db2.gz MMKVVJPXORDNNS-MHECFPHRSA-N 1 3 381.539 3.986 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248397287 865638611 /nfs/dbraw/zinc/63/86/11/865638611.db2.gz HUEWMWQXJXKQHY-UEQSERJNSA-N 1 3 395.591 3.668 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248397287 865638616 /nfs/dbraw/zinc/63/86/16/865638616.db2.gz HUEWMWQXJXKQHY-UEQSERJNSA-N 1 3 395.591 3.668 20 0 GHADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248397287 865638623 /nfs/dbraw/zinc/63/86/23/865638623.db2.gz HUEWMWQXJXKQHY-UEQSERJNSA-N 1 3 395.591 3.668 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCSc4ccccc43)CC2)CC1 ZINC000552855452 866354254 /nfs/dbraw/zinc/35/42/54/866354254.db2.gz LYTUJPAFDNHDBV-HXUWFJFHSA-N 1 3 387.593 3.536 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H](C)C1 ZINC000153348209 866370955 /nfs/dbraw/zinc/37/09/55/866370955.db2.gz HYBDFBHSDBOVLK-WIYYLYMNSA-N 1 3 375.557 3.630 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000552917717 866489982 /nfs/dbraw/zinc/48/99/82/866489982.db2.gz HDVMCYZLAPHDBL-JOCHJYFZSA-N 1 3 387.543 3.686 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)N(C)C)cc1 ZINC000553060602 866720774 /nfs/dbraw/zinc/72/07/74/866720774.db2.gz FGOCQDMGJRDHLN-KZNAEPCWSA-N 1 3 399.501 3.623 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)N(C)C)cc1 ZINC000553060602 866720787 /nfs/dbraw/zinc/72/07/87/866720787.db2.gz FGOCQDMGJRDHLN-KZNAEPCWSA-N 1 3 399.501 3.623 20 0 GHADHO C[C@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000479064203 867081578 /nfs/dbraw/zinc/08/15/78/867081578.db2.gz PWPQYJXBXYHAAI-KSSFIOAISA-N 1 3 381.358 3.509 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314470 867153636 /nfs/dbraw/zinc/15/36/36/867153636.db2.gz MHSUJSQPJNONTC-TZIWHRDSSA-N 1 3 385.577 3.769 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314470 867153641 /nfs/dbraw/zinc/15/36/41/867153641.db2.gz MHSUJSQPJNONTC-TZIWHRDSSA-N 1 3 385.577 3.769 20 0 GHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000479266598 867460286 /nfs/dbraw/zinc/46/02/86/867460286.db2.gz OYVDPZHNOFXEMB-IKGGRYGDSA-N 1 3 383.374 3.859 20 0 GHADHO C[NH+]1CCC(O)(CN[C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000479294572 867528916 /nfs/dbraw/zinc/52/89/16/867528916.db2.gz UHDQUHNJWAWAQF-IBGZPJMESA-N 1 3 389.337 3.585 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000620820727 867578869 /nfs/dbraw/zinc/57/88/69/867578869.db2.gz WMCFPVCSYQHVNV-XZOQPEGZSA-N 1 3 394.563 3.562 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)CC2)CC1 ZINC000523880116 868225305 /nfs/dbraw/zinc/22/53/05/868225305.db2.gz QQDIUWGSUZDBFA-XZOQPEGZSA-N 1 3 398.595 3.571 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3c3ccccc3)CC2)CC1 ZINC000523880114 868225720 /nfs/dbraw/zinc/22/57/20/868225720.db2.gz QQDIUWGSUZDBFA-GOTSBHOMSA-N 1 3 398.595 3.571 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000156159633 868272615 /nfs/dbraw/zinc/27/26/15/868272615.db2.gz UWSYEINAJDNIPA-UHFFFAOYSA-N 1 3 379.548 3.732 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000156159633 868272627 /nfs/dbraw/zinc/27/26/27/868272627.db2.gz UWSYEINAJDNIPA-UHFFFAOYSA-N 1 3 379.548 3.732 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000156595950 868410644 /nfs/dbraw/zinc/41/06/44/868410644.db2.gz IVHUKNFUQBAXQJ-DNQXCXABSA-N 1 3 391.559 3.875 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000156595950 868410654 /nfs/dbraw/zinc/41/06/54/868410654.db2.gz IVHUKNFUQBAXQJ-DNQXCXABSA-N 1 3 391.559 3.875 20 0 GHADHO CN(C)C[C@@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(F)cc1 ZINC000479759423 868482844 /nfs/dbraw/zinc/48/28/44/868482844.db2.gz NFMAKSZZRSTPDJ-FGZHOGPDSA-N 1 3 398.526 3.565 20 0 GHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818343 869847579 /nfs/dbraw/zinc/84/75/79/869847579.db2.gz WSHKWKATMZNALW-GDBMZVCRSA-N 1 3 397.357 3.915 20 0 GHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818343 869847591 /nfs/dbraw/zinc/84/75/91/869847591.db2.gz WSHKWKATMZNALW-GDBMZVCRSA-N 1 3 397.357 3.915 20 0 GHADHO CN(C)c1cccc(CN(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000539861318 869912494 /nfs/dbraw/zinc/91/24/94/869912494.db2.gz KJLCCGIYSRNDDJ-UHFFFAOYSA-N 1 3 380.580 3.915 20 0 GHADHO C[C@H](CCc1ccsc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000462791017 870087063 /nfs/dbraw/zinc/08/70/63/870087063.db2.gz PZTQEMNSERDNSL-GOSISDBHSA-N 1 3 385.577 3.685 20 0 GHADHO Brc1ccc(-c2c[nH]c(CNCC3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000446883216 870626842 /nfs/dbraw/zinc/62/68/42/870626842.db2.gz IQDBETGGKPQEQD-UHFFFAOYSA-N 1 3 389.341 3.803 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)Nc3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC000920928708 882445556 /nfs/dbraw/zinc/44/55/56/882445556.db2.gz FUFJMAJSDCHEMM-UHFFFAOYSA-N 1 3 381.524 3.534 20 0 GHADHO CC(C)[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299692 870940284 /nfs/dbraw/zinc/94/02/84/870940284.db2.gz QQFKNUVCXZLEBC-WMZOPIPTSA-N 1 3 385.474 3.580 20 0 GHADHO CC(C)[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299692 870940291 /nfs/dbraw/zinc/94/02/91/870940291.db2.gz QQFKNUVCXZLEBC-WMZOPIPTSA-N 1 3 385.474 3.580 20 0 GHADHO Cc1cccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c1C ZINC000090028878 871090286 /nfs/dbraw/zinc/09/02/86/871090286.db2.gz UPHRQHJZGWZKDC-FQEVSTJZSA-N 1 3 379.548 3.980 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463191724 871097372 /nfs/dbraw/zinc/09/73/72/871097372.db2.gz NSXRIZYAAVSWEA-AZUAARDMSA-N 1 3 384.520 3.725 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463191724 871097388 /nfs/dbraw/zinc/09/73/88/871097388.db2.gz NSXRIZYAAVSWEA-AZUAARDMSA-N 1 3 384.520 3.725 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC3CCOCC3)c(C(F)(F)F)c1)C2 ZINC001169118021 871208967 /nfs/dbraw/zinc/20/89/67/871208967.db2.gz BZMJJYRNJLYWDM-BJWYYQGGSA-N 1 3 398.469 3.978 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCc3c2cccc3Cl)cc1 ZINC000539073566 871263003 /nfs/dbraw/zinc/26/30/03/871263003.db2.gz NWIICWNLBBEOLY-QFIPXVFZSA-N 1 3 397.950 3.943 20 0 GHADHO CC[C@H](NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1nccn1C ZINC000539296074 871659153 /nfs/dbraw/zinc/65/91/53/871659153.db2.gz XTKCPIUOVXPUKO-IPJJNNNSSA-N 1 3 384.568 3.670 20 0 GHADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821202 871849293 /nfs/dbraw/zinc/84/92/93/871849293.db2.gz GZEUQVYMVSFAOE-PZJWPPBQSA-N 1 3 386.584 3.800 20 0 GHADHO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093337016 872092685 /nfs/dbraw/zinc/09/26/85/872092685.db2.gz VHXGBLGVAFMQRY-KNQAVFIVSA-N 1 3 396.531 3.581 20 0 GHADHO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093337016 872092705 /nfs/dbraw/zinc/09/27/05/872092705.db2.gz VHXGBLGVAFMQRY-KNQAVFIVSA-N 1 3 396.531 3.581 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000477929320 872158553 /nfs/dbraw/zinc/15/85/53/872158553.db2.gz QZNQLXZNXHHIFV-TWDDROGUSA-N 1 3 382.523 3.619 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000477929320 872158560 /nfs/dbraw/zinc/15/85/60/872158560.db2.gz QZNQLXZNXHHIFV-TWDDROGUSA-N 1 3 382.523 3.619 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000477929320 872158567 /nfs/dbraw/zinc/15/85/67/872158567.db2.gz QZNQLXZNXHHIFV-TWDDROGUSA-N 1 3 382.523 3.619 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000552199503 872193513 /nfs/dbraw/zinc/19/35/13/872193513.db2.gz ZVLPMKCHYOTDMA-UHFFFAOYSA-N 1 3 391.559 3.877 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)CCC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000540811412 872233364 /nfs/dbraw/zinc/23/33/64/872233364.db2.gz OCPXCIKDSSXGTG-QFIPXVFZSA-N 1 3 386.584 3.587 20 0 GHADHO Fc1cc(-c2ccncc2)ccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734930 872371391 /nfs/dbraw/zinc/37/13/91/872371391.db2.gz HFOSGSCINKLRCM-UHFFFAOYSA-N 1 3 383.511 3.965 20 0 GHADHO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000526985836 872420051 /nfs/dbraw/zinc/42/00/51/872420051.db2.gz DDMJEYLZFYPATI-LPHOPBHVSA-N 1 3 381.545 3.600 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)CC1 ZINC000763529852 872425584 /nfs/dbraw/zinc/42/55/84/872425584.db2.gz JDEMDFGXMPXPFX-DVECYGJZSA-N 1 3 399.554 3.960 20 0 GHADHO C[C@@]1(NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCc2ccccc21 ZINC000540907068 872456388 /nfs/dbraw/zinc/45/63/88/872456388.db2.gz XPFIBRLNMCJNSJ-RUZDIDTESA-N 1 3 391.559 3.740 20 0 GHADHO COc1ccc(Cn2nc(C)c(C[NH2+]CC3(CN(C)C)CCCC3)c2C)cc1 ZINC000463739550 872456595 /nfs/dbraw/zinc/45/65/95/872456595.db2.gz OFDLJNKTNVWATQ-UHFFFAOYSA-N 1 3 384.568 3.768 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@@H](C)O1 ZINC000478185989 872643244 /nfs/dbraw/zinc/64/32/44/872643244.db2.gz XSZDYUYEVCZKGE-QZTJIDSGSA-N 1 3 376.541 3.621 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCOC1 ZINC000153077763 873171454 /nfs/dbraw/zinc/17/14/54/873171454.db2.gz HIWHZLDJCRZLLN-MSOLQXFVSA-N 1 3 399.501 3.622 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000448420844 873355782 /nfs/dbraw/zinc/35/57/82/873355782.db2.gz HTBLAPIOFOFQME-RTWAWAEBSA-N 1 3 389.559 3.522 20 0 GHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000448420844 873355789 /nfs/dbraw/zinc/35/57/89/873355789.db2.gz HTBLAPIOFOFQME-RTWAWAEBSA-N 1 3 389.559 3.522 20 0 GHADHO CC[NH+]1CCC(N[C@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000760161431 882750456 /nfs/dbraw/zinc/75/04/56/882750456.db2.gz VCLMVDJQLBRAIA-FXAWDEMLSA-N 1 3 375.557 3.585 20 0 GHADHO COC1(C[C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000550882200 882763324 /nfs/dbraw/zinc/76/33/24/882763324.db2.gz KCKSNACPVCWEQW-RBBKRZOGSA-N 1 3 386.580 3.853 20 0 GHADHO COc1ccccc1[C@H](C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)N(C)C ZINC000449061526 874399045 /nfs/dbraw/zinc/39/90/45/874399045.db2.gz GMHYNSQCFZXVGP-RDPSFJRHSA-N 1 3 395.591 3.983 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000449100322 874470826 /nfs/dbraw/zinc/47/08/26/874470826.db2.gz BNJIJHDSJBRPLO-YKSBVNFPSA-N 1 3 393.575 3.891 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000449100318 874471229 /nfs/dbraw/zinc/47/12/29/874471229.db2.gz BNJIJHDSJBRPLO-HYBUGGRVSA-N 1 3 393.575 3.891 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000449142574 874528670 /nfs/dbraw/zinc/52/86/70/874528670.db2.gz OQTIYHKWLJGMFT-AUSIDOKSSA-N 1 3 391.559 3.757 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000770379128 874620119 /nfs/dbraw/zinc/62/01/19/874620119.db2.gz KUDMZGMAMUYBPV-HKUYNNGSSA-N 1 3 391.556 3.505 20 0 GHADHO COc1ccccc1[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000858101008 882846563 /nfs/dbraw/zinc/84/65/63/882846563.db2.gz WMDBKZRSRCSBND-FUHWJXTLSA-N 1 3 391.556 3.723 20 0 GHADHO CC1CC[NH+](Cc2ccc(CN[C@H]3CCC4(C[C@@H]3F)OCCO4)cc2)CC1 ZINC001199109779 874824337 /nfs/dbraw/zinc/82/43/37/874824337.db2.gz IZLLYXIUZFNOLN-SFTDATJTSA-N 1 3 376.516 3.642 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000105441487 875297229 /nfs/dbraw/zinc/29/72/29/875297229.db2.gz WYFQLVKAYSYSGN-HNNXBMFYSA-N 1 3 398.378 3.632 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC001201416682 875679407 /nfs/dbraw/zinc/67/94/07/875679407.db2.gz QRYYLZIWLNCLBR-ZEQRLZLVSA-N 1 3 398.522 3.872 20 0 GHADHO CC(C)c1nccn1Cc1cccc(Nc2cc[nH+]c(N3CCN(C)CC3)c2)c1 ZINC001201666737 875805042 /nfs/dbraw/zinc/80/50/42/875805042.db2.gz YIKZDESOLOWVMW-UHFFFAOYSA-N 1 3 390.535 3.945 20 0 GHADHO CC(C)N1CCN(CCC[NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC000192766100 883011896 /nfs/dbraw/zinc/01/18/96/883011896.db2.gz POAJOJQKJYYMET-UHFFFAOYSA-N 1 3 394.401 3.834 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC(F)(F)C1 ZINC000529585803 876361259 /nfs/dbraw/zinc/36/12/59/876361259.db2.gz GFKCJAYQDXFOEW-YLJYHZDGSA-N 1 3 378.507 3.939 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3sc(Br)cc32)C[C@H](C)O1 ZINC000551014295 883064929 /nfs/dbraw/zinc/06/49/29/883064929.db2.gz RSDVXNCOAJJQIH-GUTXKFCHSA-N 1 3 387.387 3.977 20 0 GHADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000174354299 876983949 /nfs/dbraw/zinc/98/39/49/876983949.db2.gz CSERMPBECZSBHF-UHFFFAOYSA-N 1 3 399.501 3.716 20 0 GHADHO C[C@H](C[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000850516399 876987299 /nfs/dbraw/zinc/98/72/99/876987299.db2.gz FIGKSSCQGVDOND-ZWKOTPCHSA-N 1 3 390.572 3.575 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995264 877423696 /nfs/dbraw/zinc/42/36/96/877423696.db2.gz IVFYWKLOFONDJH-DZGCQCFKSA-N 1 3 385.430 3.567 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000788240279 877939918 /nfs/dbraw/zinc/93/99/18/877939918.db2.gz JHNHFLJSHSDFCR-WCIQWLHISA-N 1 3 397.604 3.691 20 0 GHADHO COc1ccc([C@H](NCCN2CCC([NH+](C)C)CC2)c2ccc(F)cc2)cc1 ZINC000493062911 878244595 /nfs/dbraw/zinc/24/45/95/878244595.db2.gz UTZWUDWXWZOHMC-HSZRJFAPSA-N 1 3 385.527 3.539 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)C3)cc1 ZINC000245653422 878292187 /nfs/dbraw/zinc/29/21/87/878292187.db2.gz CZVZGBZANFIDPY-BKFWDETESA-N 1 3 391.559 3.808 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000537962005 878597324 /nfs/dbraw/zinc/59/73/24/878597324.db2.gz HASLCMAODIVSDX-XPWALMASSA-N 1 3 384.564 3.747 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+]CC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000530858635 878628862 /nfs/dbraw/zinc/62/88/62/878628862.db2.gz VYMVLYBCXNBRDE-UHFFFAOYSA-N 1 3 375.601 3.624 20 0 GHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000537969775 878641643 /nfs/dbraw/zinc/64/16/43/878641643.db2.gz QIKQVCRWRHLXDK-KURKYZTESA-N 1 3 395.975 3.845 20 0 GHADHO C[N@H+](Cc1ccccc1CN[C@H]1CCCC[C@H]1S(C)(=O)=O)C1CCCCC1 ZINC000246018879 878864726 /nfs/dbraw/zinc/86/47/26/878864726.db2.gz JODKQSKDGSSKKM-FCHUYYIVSA-N 1 3 392.609 3.897 20 0 GHADHO C[N@@H+](Cc1ccccc1CN[C@H]1CCCC[C@H]1S(C)(=O)=O)C1CCCCC1 ZINC000246018879 878864746 /nfs/dbraw/zinc/86/47/46/878864746.db2.gz JODKQSKDGSSKKM-FCHUYYIVSA-N 1 3 392.609 3.897 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000853239567 878922534 /nfs/dbraw/zinc/92/25/34/878922534.db2.gz HWQHOFCPYPCYNC-PKOBYXMFSA-N 1 3 379.589 3.734 20 0 GHADHO O=C1O[C@@]2(CN1CN1C[C@H](c3ccccc3)[C@H]3CCCC[C@H]31)C[NH+]1CCC2CC1 ZINC000790385967 879656920 /nfs/dbraw/zinc/65/69/20/879656920.db2.gz OPGAQMZYXCBPTD-GBEXAXCTSA-N 1 3 395.547 3.519 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000247073638 879909223 /nfs/dbraw/zinc/90/92/23/879909223.db2.gz OKGUIHNCLIQQMA-JQVVWYNYSA-N 1 3 387.568 3.601 20 0 GHADHO COC1([C@H](C)[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCOCC1 ZINC000453114728 880487592 /nfs/dbraw/zinc/48/75/92/880487592.db2.gz RWIZITRMLPWRBP-KRWDZBQOSA-N 1 3 380.960 3.726 20 0 GHADHO Cc1cccc2c1ncc(C)c2N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000185279363 880527392 /nfs/dbraw/zinc/52/73/92/880527392.db2.gz JLTPQFCFWSVPAN-UHFFFAOYSA-N 1 3 396.579 3.772 20 0 GHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(F)c(I)c1 ZINC000453345407 880818081 /nfs/dbraw/zinc/81/80/81/880818081.db2.gz JYRCBQRVXCUBFP-NDNKKMJESA-N 1 3 388.268 3.706 20 0 GHADHO Cc1ccc(C[C@@H](CO)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C ZINC000453467755 880975033 /nfs/dbraw/zinc/97/50/33/880975033.db2.gz ZDERCSKSQNOOGE-JBXUNAHCSA-N 1 3 378.560 3.992 20 0 GHADHO Cc1ccc(C[C@@H](CO)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC000453467755 880975039 /nfs/dbraw/zinc/97/50/39/880975039.db2.gz ZDERCSKSQNOOGE-JBXUNAHCSA-N 1 3 378.560 3.992 20 0 GHADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cccnc2-n2ccnc2)ccc1OC ZINC000182355377 883215943 /nfs/dbraw/zinc/21/59/43/883215943.db2.gz LNUZHHPHWNYHDT-GOSISDBHSA-N 1 3 393.535 3.969 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000477012492 883554216 /nfs/dbraw/zinc/55/42/16/883554216.db2.gz SJJLTSZODHNPSW-GHTZIAJQSA-N 1 3 398.551 3.804 20 0 GHADHO CC[C@H]1CC([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170483727 883880600 /nfs/dbraw/zinc/88/06/00/883880600.db2.gz IOTPNKLHYQMVOF-XWSJACJDSA-N 1 3 379.589 3.827 20 0 GHADHO CC[C@H]1CC([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170483727 883880609 /nfs/dbraw/zinc/88/06/09/883880609.db2.gz IOTPNKLHYQMVOF-XWSJACJDSA-N 1 3 379.589 3.827 20 0 GHADHO C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465459693 884235788 /nfs/dbraw/zinc/23/57/88/884235788.db2.gz PYURVKVZXZXRBJ-NFBKMPQASA-N 1 3 394.563 3.595 20 0 GHADHO C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000465459693 884235805 /nfs/dbraw/zinc/23/58/05/884235805.db2.gz PYURVKVZXZXRBJ-NFBKMPQASA-N 1 3 394.563 3.595 20 0 GHADHO CCOc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC ZINC000556404113 884795252 /nfs/dbraw/zinc/79/52/52/884795252.db2.gz NHBRSGVYAIOJMR-UHFFFAOYSA-N 1 3 384.520 3.857 20 0 GHADHO C[C@@H]1[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000806931295 885098098 /nfs/dbraw/zinc/09/80/98/885098098.db2.gz LCHSZOHZCRPOBS-SDXIKQIGSA-N 1 3 398.595 3.746 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cc(OCC4CC4)ccn3)c3ccccc23)CC1 ZINC001170526093 885504912 /nfs/dbraw/zinc/50/49/12/885504912.db2.gz PMLNAZRCMBBGLG-UHFFFAOYSA-N 1 3 390.531 3.780 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4c3CCCCC4)c3ccccc23)CC1 ZINC001170526926 885522789 /nfs/dbraw/zinc/52/27/89/885522789.db2.gz YSJUMXURCVKKTH-UHFFFAOYSA-N 1 3 389.547 3.655 20 0 GHADHO CN(C)c1cc(F)cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528315 885550552 /nfs/dbraw/zinc/55/05/52/885550552.db2.gz LCTQBEJHBZUOPG-UHFFFAOYSA-N 1 3 380.511 3.801 20 0 GHADHO CC(C)Oc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ccn1 ZINC001170528339 885552182 /nfs/dbraw/zinc/55/21/82/885552182.db2.gz MHXBCAOXLGKMQU-UHFFFAOYSA-N 1 3 378.520 3.778 20 0 GHADHO CCc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)ccc1F ZINC001211917129 885566004 /nfs/dbraw/zinc/56/60/04/885566004.db2.gz WNZWEDLHMLDJKW-LJQANCHMSA-N 1 3 392.478 3.627 20 0 GHADHO CCc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)ccc1F ZINC001211917129 885566013 /nfs/dbraw/zinc/56/60/13/885566013.db2.gz WNZWEDLHMLDJKW-LJQANCHMSA-N 1 3 392.478 3.627 20 0 GHADHO CC(C)C[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000131157910 885601264 /nfs/dbraw/zinc/60/12/64/885601264.db2.gz APWFGFKRQWBHOT-OAHLLOKOSA-N 1 3 396.373 3.876 20 0 GHADHO Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)c(C)n2n1 ZINC000495433370 885756556 /nfs/dbraw/zinc/75/65/56/885756556.db2.gz NSNPLOOFDKMRDM-WFXMLNOXSA-N 1 3 377.536 3.907 20 0 GHADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNC1CC[NH+](C2CCCC2)CC1 ZINC000862284286 886278837 /nfs/dbraw/zinc/27/88/37/886278837.db2.gz ISOGZSKNRASPSZ-KRWDZBQOSA-N 1 3 387.515 3.628 20 0 GHADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C)c1OC ZINC000556891242 886516977 /nfs/dbraw/zinc/51/69/77/886516977.db2.gz ADFYHZLVWHIASL-RXVVDRJESA-N 1 3 398.547 3.820 20 0 GHADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1OC ZINC000556891242 886517007 /nfs/dbraw/zinc/51/70/07/886517007.db2.gz ADFYHZLVWHIASL-RXVVDRJESA-N 1 3 398.547 3.820 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)c2)n1 ZINC000556892293 886521588 /nfs/dbraw/zinc/52/15/88/886521588.db2.gz JLKOYZIJWVONLF-YQVWRLOYSA-N 1 3 385.533 3.559 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)c2)n1 ZINC000556892293 886521597 /nfs/dbraw/zinc/52/15/97/886521597.db2.gz JLKOYZIJWVONLF-YQVWRLOYSA-N 1 3 385.533 3.559 20 0 GHADHO CN(C)C1(C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CCC1 ZINC000763030719 887573684 /nfs/dbraw/zinc/57/36/84/887573684.db2.gz QLDZMUBQFXHZJV-UHFFFAOYSA-N 1 3 397.485 3.613 20 0 GHADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CCC1 ZINC000763030719 887573694 /nfs/dbraw/zinc/57/36/94/887573694.db2.gz QLDZMUBQFXHZJV-UHFFFAOYSA-N 1 3 397.485 3.613 20 0 GHADHO CCN(CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168500976 887579911 /nfs/dbraw/zinc/57/99/11/887579911.db2.gz LMMFRDCBYYKNKJ-GJZGRUSLSA-N 1 3 381.483 3.638 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000809616269 887588178 /nfs/dbraw/zinc/58/81/78/887588178.db2.gz LTVYRUDUZKIVMU-QFIPXVFZSA-N 1 3 387.568 3.745 20 0 GHADHO C[C@@H]1CN(c2ccccc2C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459360740 887672955 /nfs/dbraw/zinc/67/29/55/887672955.db2.gz YSLQKCAMBMIFGC-FYYLOGMGSA-N 1 3 393.575 3.866 20 0 GHADHO C[C@@H]1CN(c2ccccc2C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459360740 887672957 /nfs/dbraw/zinc/67/29/57/887672957.db2.gz YSLQKCAMBMIFGC-FYYLOGMGSA-N 1 3 393.575 3.866 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000105123987 887694742 /nfs/dbraw/zinc/69/47/42/887694742.db2.gz AGSFHISZEOARAI-PKOBYXMFSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000105123987 887694749 /nfs/dbraw/zinc/69/47/49/887694749.db2.gz AGSFHISZEOARAI-PKOBYXMFSA-N 1 3 380.602 3.551 20 0 GHADHO C[N@@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459364449 887716343 /nfs/dbraw/zinc/71/63/43/887716343.db2.gz ASJDFFNHDIFICH-UHFFFAOYSA-N 1 3 389.503 3.593 20 0 GHADHO C[N@H+](Cc1cc(=O)[n-]c(-c2ccccc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459364449 887716353 /nfs/dbraw/zinc/71/63/53/887716353.db2.gz ASJDFFNHDIFICH-UHFFFAOYSA-N 1 3 389.503 3.593 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193797844 888525485 /nfs/dbraw/zinc/52/54/85/888525485.db2.gz STADKMLZAFAQJC-IBGZPJMESA-N 1 3 391.515 3.746 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193797844 888525491 /nfs/dbraw/zinc/52/54/91/888525491.db2.gz STADKMLZAFAQJC-IBGZPJMESA-N 1 3 391.515 3.746 20 0 GHADHO c1csc([C@H](NCCC2CC[NH+](Cc3ccccc3)CC2)c2nnc[nH]2)c1 ZINC000866470093 888895934 /nfs/dbraw/zinc/89/59/34/888895934.db2.gz PBPAELMRYRETMF-FQEVSTJZSA-N 1 3 381.549 3.848 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000465530365 889253351 /nfs/dbraw/zinc/25/33/51/889253351.db2.gz ZGKFYCZOSCZOKZ-PKOBYXMFSA-N 1 3 380.602 3.504 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000465530365 889253365 /nfs/dbraw/zinc/25/33/65/889253365.db2.gz ZGKFYCZOSCZOKZ-PKOBYXMFSA-N 1 3 380.602 3.504 20 0 GHADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000123923989 889446542 /nfs/dbraw/zinc/44/65/42/889446542.db2.gz FEVSJGJZPFZWNP-GUDVDZBRSA-N 1 3 387.568 3.576 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000262406708 892269989 /nfs/dbraw/zinc/26/99/89/892269989.db2.gz OTBKAQRZEUNRBO-QILLFSRXSA-N 1 3 385.474 3.593 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547048 892465656 /nfs/dbraw/zinc/46/56/56/892465656.db2.gz SXPPYUPAFQAQLV-UXHICEINSA-N 1 3 392.613 3.695 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547048 892465670 /nfs/dbraw/zinc/46/56/70/892465670.db2.gz SXPPYUPAFQAQLV-UXHICEINSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508711896 892832043 /nfs/dbraw/zinc/83/20/43/892832043.db2.gz BQMQKSVDRRVOAA-JTHBVZDNSA-N 1 3 385.596 3.522 20 0 GHADHO CC[NH+]1CCC(CCNCc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 ZINC000877062912 893465090 /nfs/dbraw/zinc/46/50/90/893465090.db2.gz FCXMELMXPGXHDO-UHFFFAOYSA-N 1 3 394.560 3.646 20 0 GHADHO C[C@@H]1CCC[C@H](NC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000536714343 893590179 /nfs/dbraw/zinc/59/01/79/893590179.db2.gz XDXVGIMYGFFCOJ-DXIQSLLYSA-N 1 3 386.584 3.561 20 0 GHADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746582 893785796 /nfs/dbraw/zinc/78/57/96/893785796.db2.gz RZSOGQZWCCUQSK-SAPNQHFASA-N 1 3 381.486 3.821 20 0 GHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000536829074 893861831 /nfs/dbraw/zinc/86/18/31/893861831.db2.gz VPZYWEWBUDDXJC-LIRRHRJNSA-N 1 3 377.326 3.911 20 0 GHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000536829074 893861844 /nfs/dbraw/zinc/86/18/44/893861844.db2.gz VPZYWEWBUDDXJC-LIRRHRJNSA-N 1 3 377.326 3.911 20 0 GHADHO Cc1cc(F)ccc1[C@@H](C)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000815578374 894015518 /nfs/dbraw/zinc/01/55/18/894015518.db2.gz NCAKFSQXAVWJSS-YLJYHZDGSA-N 1 3 383.511 3.682 20 0 GHADHO Cc1cc(F)ccc1[C@@H](C)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000815578374 894015538 /nfs/dbraw/zinc/01/55/38/894015538.db2.gz NCAKFSQXAVWJSS-YLJYHZDGSA-N 1 3 383.511 3.682 20 0 GHADHO C[N@@H+]1CCC[C@@H](CCNCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000459729266 894119007 /nfs/dbraw/zinc/11/90/07/894119007.db2.gz IUVGNTIDOIOBJH-AWEZNQCLSA-N 1 3 377.330 3.661 20 0 GHADHO C[N@H+]1CCC[C@@H](CCNCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000459729266 894119012 /nfs/dbraw/zinc/11/90/12/894119012.db2.gz IUVGNTIDOIOBJH-AWEZNQCLSA-N 1 3 377.330 3.661 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999105 894206483 /nfs/dbraw/zinc/20/64/83/894206483.db2.gz YEYCZHHMSBIRNW-GMAHTHKFSA-N 1 3 395.522 3.764 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999105 894206496 /nfs/dbraw/zinc/20/64/96/894206496.db2.gz YEYCZHHMSBIRNW-GMAHTHKFSA-N 1 3 395.522 3.764 20 0 GHADHO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000564150776 894650825 /nfs/dbraw/zinc/65/08/25/894650825.db2.gz RJRZYPSJVAQYJI-SVFBPWRDSA-N 1 3 399.579 3.648 20 0 GHADHO c1cnc([C@H]2CCCN2CCCCCC[N@@H+]2CCC[C@@H]2c2ncccn2)nc1 ZINC000878976760 894760889 /nfs/dbraw/zinc/76/08/89/894760889.db2.gz WBOMHRAQTDMVFA-WOJBJXKFSA-N 1 3 380.540 3.801 20 0 GHADHO c1cnc([C@H]2CCCN2CCCCCC[N@H+]2CCC[C@@H]2c2ncccn2)nc1 ZINC000878976760 894760902 /nfs/dbraw/zinc/76/09/02/894760902.db2.gz WBOMHRAQTDMVFA-WOJBJXKFSA-N 1 3 380.540 3.801 20 0 GHADHO O=C(NC[C@H]1CCCN(Cc2ccccc2Oc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000564728478 895213178 /nfs/dbraw/zinc/21/31/78/895213178.db2.gz ANSHJQTZFAILBW-KNQAVFIVSA-N 1 3 393.531 3.559 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000565491712 895672882 /nfs/dbraw/zinc/67/28/82/895672882.db2.gz MRUUFRZHUTVWNU-SFTDATJTSA-N 1 3 377.617 3.856 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902554 895953736 /nfs/dbraw/zinc/95/37/36/895953736.db2.gz TXRFCHDFWKRWKH-OSPHWJPCSA-N 1 3 391.515 3.812 20 0 GHADHO O[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(Cl)cccc1Cl ZINC000817905791 895956612 /nfs/dbraw/zinc/95/66/12/895956612.db2.gz OARBJLKDUBWXAP-QKLQHJQFSA-N 1 3 393.314 3.872 20 0 GHADHO COc1ccc(OC)c([C@H](O)CNCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000818957424 896294328 /nfs/dbraw/zinc/29/43/28/896294328.db2.gz RZZBCBVNNDWLOR-HSZRJFAPSA-N 1 3 398.547 3.759 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@@H]3C)CC2)CC1 ZINC000566441721 896315547 /nfs/dbraw/zinc/31/55/47/896315547.db2.gz JQXFAKORPIWNTO-WMZHIEFXSA-N 1 3 383.580 3.587 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(-c4nc(C)co4)c3)CC2)CC1 ZINC000566441747 896316408 /nfs/dbraw/zinc/31/64/08/896316408.db2.gz KIHNCURINVWFOU-UHFFFAOYSA-N 1 3 396.535 3.785 20 0 GHADHO Cc1ccccc1[C@@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333095 896576973 /nfs/dbraw/zinc/57/69/73/896576973.db2.gz GDNUAECTCZBPQW-VWNXMTODSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccccc1[C@@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333095 896576993 /nfs/dbraw/zinc/57/69/93/896576993.db2.gz GDNUAECTCZBPQW-VWNXMTODSA-N 1 3 394.559 3.547 20 0 GHADHO Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000819333095 896577009 /nfs/dbraw/zinc/57/70/09/896577009.db2.gz GDNUAECTCZBPQW-VWNXMTODSA-N 1 3 394.559 3.547 20 0 GHADHO C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000568200832 897669309 /nfs/dbraw/zinc/66/93/09/897669309.db2.gz ARTKOTIWFVGOKU-FQEVSTJZSA-N 1 3 379.548 3.527 20 0 GHADHO CC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000568499367 897892930 /nfs/dbraw/zinc/89/29/30/897892930.db2.gz MMYWBNPAWOGIHL-YDHSSHFGSA-N 1 3 380.488 3.754 20 0 GHADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000570036851 899084103 /nfs/dbraw/zinc/08/41/03/899084103.db2.gz VSGUVBOIKLLVLN-ZWCUEREDSA-N 1 3 383.511 3.834 20 0 GHADHO O=C(NCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000570590088 899413570 /nfs/dbraw/zinc/41/35/70/899413570.db2.gz KBAPABZXYQUKOO-RJGXRXQPSA-N 1 3 383.580 3.573 20 0 GHADHO CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825418117 900157425 /nfs/dbraw/zinc/15/74/25/900157425.db2.gz XHHHTGQCBVZODI-OAHLLOKOSA-N 1 3 382.487 3.698 20 0 GHADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)c1 ZINC000825503739 900202648 /nfs/dbraw/zinc/20/26/48/900202648.db2.gz GDSYFXVJDNHWLU-HSZRJFAPSA-N 1 3 399.579 3.573 20 0 GHADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)c1 ZINC000825503739 900202660 /nfs/dbraw/zinc/20/26/60/900202660.db2.gz GDSYFXVJDNHWLU-HSZRJFAPSA-N 1 3 399.579 3.573 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171119519 900741813 /nfs/dbraw/zinc/74/18/13/900741813.db2.gz DJOSEAUSQNOTSH-MDNUFGMLSA-N 1 3 388.983 3.878 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171119519 900741823 /nfs/dbraw/zinc/74/18/23/900741823.db2.gz DJOSEAUSQNOTSH-MDNUFGMLSA-N 1 3 388.983 3.878 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)CC1 ZINC000574925666 901055652 /nfs/dbraw/zinc/05/56/52/901055652.db2.gz IPBSJTZVRQMIIW-UHFFFAOYSA-N 1 3 397.485 3.926 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Cl)cc3COC)CC2)CC1 ZINC000575329374 901196620 /nfs/dbraw/zinc/19/66/20/901196620.db2.gz HJBGQPMLKRHPKW-UHFFFAOYSA-N 1 3 393.959 3.621 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cnccc1Cl)CC2 ZINC001137233436 901377501 /nfs/dbraw/zinc/37/75/01/901377501.db2.gz DSJBPOWXMMGTNQ-FQEVSTJZSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cnccc1Cl)CC2 ZINC001137233436 901377515 /nfs/dbraw/zinc/37/75/15/901377515.db2.gz DSJBPOWXMMGTNQ-FQEVSTJZSA-N 1 3 385.939 3.991 20 0 GHADHO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000575883001 901425366 /nfs/dbraw/zinc/42/53/66/901425366.db2.gz FSQRALIEKFJFTC-QJUOVVKFSA-N 1 3 395.591 3.810 20 0 GHADHO C[C@@H](OC[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000576457836 902032253 /nfs/dbraw/zinc/03/22/53/902032253.db2.gz RZAOIKDLACNFTE-IERDGZPVSA-N 1 3 380.960 3.775 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000778974681 902392116 /nfs/dbraw/zinc/39/21/16/902392116.db2.gz GFSPLXXXHYNHKM-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)N3CCc4ccccc43)C2)s1 ZINC000577378450 902724516 /nfs/dbraw/zinc/72/45/16/902724516.db2.gz WDYPUCMCKSEQNL-IBGZPJMESA-N 1 3 397.588 3.790 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)N3CCc4ccccc43)C2)s1 ZINC000577378450 902724529 /nfs/dbraw/zinc/72/45/29/902724529.db2.gz WDYPUCMCKSEQNL-IBGZPJMESA-N 1 3 397.588 3.790 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000646566382 914673228 /nfs/dbraw/zinc/67/32/28/914673228.db2.gz MSCPQWNTZBESKI-INIZCTEOSA-N 1 3 377.960 3.714 20 0 GHADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000290438905 914682030 /nfs/dbraw/zinc/68/20/30/914682030.db2.gz VMONRIOJCINHQJ-WIYYLYMNSA-N 1 3 384.495 3.568 20 0 GHADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000290438905 914682041 /nfs/dbraw/zinc/68/20/41/914682041.db2.gz VMONRIOJCINHQJ-WIYYLYMNSA-N 1 3 384.495 3.568 20 0 GHADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000887618802 903183405 /nfs/dbraw/zinc/18/34/05/903183405.db2.gz VAGLOZIXBDNPML-GOSISDBHSA-N 1 3 390.597 3.545 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)NCc1cn(-c2ccccc2Br)nn1 ZINC000577786919 903192247 /nfs/dbraw/zinc/19/22/47/903192247.db2.gz TZHHHEKTOLTHCC-HNNXBMFYSA-N 1 3 394.361 3.630 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(-c4ncc(C)o4)c3)CC2)CC1 ZINC000577862702 903282755 /nfs/dbraw/zinc/28/27/55/903282755.db2.gz GNPHYNYDTLTZPS-UHFFFAOYSA-N 1 3 396.535 3.785 20 0 GHADHO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000133185763 903354048 /nfs/dbraw/zinc/35/40/48/903354048.db2.gz JTDNAKBREOUAQM-KUHUBIRLSA-N 1 3 384.442 3.663 20 0 GHADHO c1ccc(C[N@H+]2C[C@H](CNc3ccnc4ccccc43)C3(C2)CCOCC3)cc1 ZINC000578200362 903608786 /nfs/dbraw/zinc/60/87/86/903608786.db2.gz QSNHGYCRQYUHMQ-NRFANRHFSA-N 1 3 387.527 3.997 20 0 GHADHO c1ccc(C[N@@H+]2C[C@H](CNc3ccnc4ccccc43)C3(C2)CCOCC3)cc1 ZINC000578200362 903608798 /nfs/dbraw/zinc/60/87/98/903608798.db2.gz QSNHGYCRQYUHMQ-NRFANRHFSA-N 1 3 387.527 3.997 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3ccc(C(F)F)cc3)cc2)CC1 ZINC000578224232 903630081 /nfs/dbraw/zinc/63/00/81/903630081.db2.gz WGVHHRLNNJWMDG-UHFFFAOYSA-N 1 3 387.474 3.611 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C(C)(C)n1cncn1 ZINC000578472601 903877811 /nfs/dbraw/zinc/87/78/11/903877811.db2.gz GPSVISHLRSWDPU-MRXNPFEDSA-N 1 3 375.948 3.557 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(CSC)cc3)CC2)CC1 ZINC000578546443 903951137 /nfs/dbraw/zinc/95/11/37/903951137.db2.gz FJQARTBLRGNXMH-UHFFFAOYSA-N 1 3 375.582 3.684 20 0 GHADHO C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCC(Cc2ccccc2)CC1 ZINC001148164851 904001144 /nfs/dbraw/zinc/00/11/44/904001144.db2.gz HMTBHQGLPRZRHV-REWPJTCUSA-N 1 3 385.596 3.662 20 0 GHADHO C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCC(Cc2ccccc2)CC1 ZINC001148164851 904001158 /nfs/dbraw/zinc/00/11/58/904001158.db2.gz HMTBHQGLPRZRHV-REWPJTCUSA-N 1 3 385.596 3.662 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000579248975 904454515 /nfs/dbraw/zinc/45/45/15/904454515.db2.gz XMTKCMABHZBINW-AUSIDOKSSA-N 1 3 383.580 3.792 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716638524 904695215 /nfs/dbraw/zinc/69/52/15/904695215.db2.gz PJOYUXRPKFTVOX-CUUWFGFTSA-N 1 3 399.579 3.932 20 0 GHADHO CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655881 904778566 /nfs/dbraw/zinc/77/85/66/904778566.db2.gz NAVSTBDCEVAUEJ-GOTSBHOMSA-N 1 3 378.564 3.880 20 0 GHADHO CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655881 904778577 /nfs/dbraw/zinc/77/85/77/904778577.db2.gz NAVSTBDCEVAUEJ-GOTSBHOMSA-N 1 3 378.564 3.880 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1(C)C ZINC001171632101 904853268 /nfs/dbraw/zinc/85/32/68/904853268.db2.gz VBYGVEDZCRYVMD-IAGOWNOFSA-N 1 3 379.589 3.827 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1(C)C ZINC001171632101 904853280 /nfs/dbraw/zinc/85/32/80/904853280.db2.gz VBYGVEDZCRYVMD-IAGOWNOFSA-N 1 3 379.589 3.827 20 0 GHADHO CC[NH+](CC)CCCN1CCN([C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001171973772 905218267 /nfs/dbraw/zinc/21/82/67/905218267.db2.gz ORIGMVGAESVXHB-SFHVURJKSA-N 1 3 385.518 3.986 20 0 GHADHO CC1(C)C[C@H](NC[C@@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171976838 905223934 /nfs/dbraw/zinc/22/39/34/905223934.db2.gz UPCSETSCYKPZDG-ISKFKSNPSA-N 1 3 393.575 3.925 20 0 GHADHO CC1(C)C[C@H](NC[C@@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001171976838 905223951 /nfs/dbraw/zinc/22/39/51/905223951.db2.gz UPCSETSCYKPZDG-ISKFKSNPSA-N 1 3 393.575 3.925 20 0 GHADHO CC(C)(C)OC(=O)NCC1C[NH+]([C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171979157 905229231 /nfs/dbraw/zinc/22/92/31/905229231.db2.gz CQDIDSOHWONQOZ-FQEVSTJZSA-N 1 3 387.568 3.886 20 0 GHADHO O=C1CCC[C@]2(CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)N1 ZINC001172074206 905282615 /nfs/dbraw/zinc/28/26/15/905282615.db2.gz RIUXVKZSDNYBNN-HOUBMWHVSA-N 1 3 381.564 3.707 20 0 GHADHO O=C1CCC[C@]2(CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)N1 ZINC001172074206 905282627 /nfs/dbraw/zinc/28/26/27/905282627.db2.gz RIUXVKZSDNYBNN-HOUBMWHVSA-N 1 3 381.564 3.707 20 0 GHADHO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001172075620 905284663 /nfs/dbraw/zinc/28/46/63/905284663.db2.gz CMULHXBSBZOOIW-MZADTFQBSA-N 1 3 379.504 3.544 20 0 GHADHO COCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001172077033 905287336 /nfs/dbraw/zinc/28/73/36/905287336.db2.gz OLTPKMFLXDJLLW-WBDAEOGXSA-N 1 3 395.547 3.782 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@]1(F)CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172100122 905321794 /nfs/dbraw/zinc/32/17/94/905321794.db2.gz PHJMIEYWCMHNKU-BMQTXXJKSA-N 1 3 383.552 3.721 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@H]2CCN(Cc4ccncc4)C2)C3)cc1 ZINC001172067721 905335747 /nfs/dbraw/zinc/33/57/47/905335747.db2.gz RWOCAOZZVVBRKI-OJJQZRKESA-N 1 3 390.575 3.831 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@H]2CCN(Cc4ccncc4)C2)C3)cc1 ZINC001172067721 905335764 /nfs/dbraw/zinc/33/57/64/905335764.db2.gz RWOCAOZZVVBRKI-OJJQZRKESA-N 1 3 390.575 3.831 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(N3C(=O)OC[C@H]3c3ccccc3)CC1)C2 ZINC001172115356 905366182 /nfs/dbraw/zinc/36/61/82/905366182.db2.gz WOCIJBWINSMARD-CBPXPLCBSA-N 1 3 383.536 3.660 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(N3C(=O)OC[C@H]3c3ccccc3)CC1)C2 ZINC001172115356 905366200 /nfs/dbraw/zinc/36/62/00/905366200.db2.gz WOCIJBWINSMARD-CBPXPLCBSA-N 1 3 383.536 3.660 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H](N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172611607 905670389 /nfs/dbraw/zinc/67/03/89/905670389.db2.gz ZVMFCJOYCBHPPG-AEFFLSMTSA-N 1 3 398.469 3.773 20 0 GHADHO O=C1C[C@@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CCN1Cc1ccccc1 ZINC001172668616 905753364 /nfs/dbraw/zinc/75/33/64/905753364.db2.gz MVTNDKSMCMFVKA-OFNKIYASSA-N 1 3 381.564 3.588 20 0 GHADHO O=C1C[C@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)CCN1Cc1ccccc1 ZINC001172668615 905753592 /nfs/dbraw/zinc/75/35/92/905753592.db2.gz MVTNDKSMCMFVKA-NZQKXSOJSA-N 1 3 381.564 3.588 20 0 GHADHO O=C1C[C@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CCN1Cc1ccccc1 ZINC001172668614 905753891 /nfs/dbraw/zinc/75/38/91/905753891.db2.gz MVTNDKSMCMFVKA-NFBKMPQASA-N 1 3 381.564 3.588 20 0 GHADHO Cc1ccc2c(c1)C[C@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C1)CC2 ZINC001172830047 905860217 /nfs/dbraw/zinc/86/02/17/905860217.db2.gz AWLWRJGUOLTEDY-NGSHPTGOSA-N 1 3 392.591 3.922 20 0 GHADHO Cc1ccc2c(c1)C[C@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C1)CC2 ZINC001172830047 905860230 /nfs/dbraw/zinc/86/02/30/905860230.db2.gz AWLWRJGUOLTEDY-NGSHPTGOSA-N 1 3 392.591 3.922 20 0 GHADHO Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)C)C1)CC2 ZINC001172830047 905860237 /nfs/dbraw/zinc/86/02/37/905860237.db2.gz AWLWRJGUOLTEDY-NGSHPTGOSA-N 1 3 392.591 3.922 20 0 GHADHO Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)C)C1)CC2 ZINC001172830047 905860252 /nfs/dbraw/zinc/86/02/52/905860252.db2.gz AWLWRJGUOLTEDY-NGSHPTGOSA-N 1 3 392.591 3.922 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@H]1CCc3ncsc3C1)CC2 ZINC001173133776 906215028 /nfs/dbraw/zinc/21/50/28/906215028.db2.gz FCRAEAHBUOCBKZ-VQTJNVASSA-N 1 3 397.588 3.756 20 0 GHADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCN(C(=O)c4ccccc4)CC3)CC2)C1 ZINC000177855210 906229504 /nfs/dbraw/zinc/22/95/04/906229504.db2.gz AJHQKVFXUONQAV-CVDCTZTESA-N 1 3 383.580 3.924 20 0 GHADHO CC(C)[N@H+](CCCN)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173384027 906412165 /nfs/dbraw/zinc/41/21/65/906412165.db2.gz NEXWOXFCLXAZSS-FGTMMUONSA-N 1 3 398.588 3.514 20 0 GHADHO CC(C)[N@@H+](CCCN)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173384027 906412174 /nfs/dbraw/zinc/41/21/74/906412174.db2.gz NEXWOXFCLXAZSS-FGTMMUONSA-N 1 3 398.588 3.514 20 0 GHADHO C[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ncc(Br)s1 ZINC000179468703 906506876 /nfs/dbraw/zinc/50/68/76/906506876.db2.gz SRLDCLMBCKFUFY-GFCCVEGCSA-N 1 3 381.343 3.868 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844821 907250884 /nfs/dbraw/zinc/25/08/84/907250884.db2.gz HDLUCMUFYMUYKQ-WIYYLYMNSA-N 1 3 389.584 3.969 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844821 907250897 /nfs/dbraw/zinc/25/08/97/907250897.db2.gz HDLUCMUFYMUYKQ-WIYYLYMNSA-N 1 3 389.584 3.969 20 0 GHADHO C[C@H](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)N1CCCCC1 ZINC000183226119 907353526 /nfs/dbraw/zinc/35/35/26/907353526.db2.gz FWOSKLUKQFEAFK-QGZVFWFLSA-N 1 3 377.960 3.799 20 0 GHADHO CC(C)N1CCCC[C@H]1C[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001175690416 907695366 /nfs/dbraw/zinc/69/53/66/907695366.db2.gz XYJDVPAYHUVKGN-NHTMILBNSA-N 1 3 385.596 3.615 20 0 GHADHO CC(C)N1CCCC[C@H]1C[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001175690416 907695371 /nfs/dbraw/zinc/69/53/71/907695371.db2.gz XYJDVPAYHUVKGN-NHTMILBNSA-N 1 3 385.596 3.615 20 0 GHADHO COC(=O)c1cc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)ccc1C ZINC001176264187 908032274 /nfs/dbraw/zinc/03/22/74/908032274.db2.gz VDOYBPORLHUMKS-YADHBBJMSA-N 1 3 378.516 3.736 20 0 GHADHO COC(=O)c1cc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)ccc1C ZINC001176264187 908032296 /nfs/dbraw/zinc/03/22/96/908032296.db2.gz VDOYBPORLHUMKS-YADHBBJMSA-N 1 3 378.516 3.736 20 0 GHADHO CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000632953376 908166204 /nfs/dbraw/zinc/16/62/04/908166204.db2.gz VNJNPLFDKICVHQ-SFHVURJKSA-N 1 3 392.425 3.733 20 0 GHADHO CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000632953375 908166385 /nfs/dbraw/zinc/16/63/85/908166385.db2.gz VNJNPLFDKICVHQ-GOSISDBHSA-N 1 3 392.425 3.733 20 0 GHADHO Cc1ccc2cc(CNCc3ccccc3C[NH+]3CCC(O)CC3)ccc2n1 ZINC000189373497 908312552 /nfs/dbraw/zinc/31/25/52/908312552.db2.gz WIYFJFKJTDTGRQ-UHFFFAOYSA-N 1 3 375.516 3.790 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000191489599 908631396 /nfs/dbraw/zinc/63/13/96/908631396.db2.gz PLTRWLHLSMRARR-QFIPXVFZSA-N 1 3 394.003 3.502 20 0 GHADHO c1ccc(CC2CC[NH+](CCCCNCc3cc4c(cn3)OCCO4)CC2)cc1 ZINC001177664133 908687494 /nfs/dbraw/zinc/68/74/94/908687494.db2.gz LEUZESQWRXDRRU-UHFFFAOYSA-N 1 3 395.547 3.677 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)cc(OC(F)F)c3)CC2)CC1 ZINC000634473002 908730692 /nfs/dbraw/zinc/73/06/92/908730692.db2.gz NVPFUUGHLMYWNN-UHFFFAOYSA-N 1 3 399.457 3.562 20 0 GHADHO CN1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccc(Br)cc1 ZINC000638377318 910135081 /nfs/dbraw/zinc/13/50/81/910135081.db2.gz PJKYKVAXDWRSCA-WCIQWLHISA-N 1 3 392.385 3.801 20 0 GHADHO CN1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccc(Br)cc1 ZINC000638377318 910135088 /nfs/dbraw/zinc/13/50/88/910135088.db2.gz PJKYKVAXDWRSCA-WCIQWLHISA-N 1 3 392.385 3.801 20 0 GHADHO CN1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638377311 910135253 /nfs/dbraw/zinc/13/52/53/910135253.db2.gz PJKYKVAXDWRSCA-FUMNGEBKSA-N 1 3 392.385 3.801 20 0 GHADHO CN1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638377311 910135258 /nfs/dbraw/zinc/13/52/58/910135258.db2.gz PJKYKVAXDWRSCA-FUMNGEBKSA-N 1 3 392.385 3.801 20 0 GHADHO Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639079718 910309921 /nfs/dbraw/zinc/30/99/21/910309921.db2.gz MIBPKJPUJYWARZ-GBAJDQEWSA-N 1 3 380.536 3.598 20 0 GHADHO Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639079718 910309936 /nfs/dbraw/zinc/30/99/36/910309936.db2.gz MIBPKJPUJYWARZ-GBAJDQEWSA-N 1 3 380.536 3.598 20 0 GHADHO OC1(CNCc2ccc3ccc(F)c(F)c3n2)CC[NH+](Cc2ccccc2)CC1 ZINC000639264480 910368987 /nfs/dbraw/zinc/36/89/87/910368987.db2.gz DSSVCPYXSMAPHH-UHFFFAOYSA-N 1 3 397.469 3.630 20 0 GHADHO C[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000284385313 911848606 /nfs/dbraw/zinc/84/86/06/911848606.db2.gz OSPCMOXIELZYNH-QGZVFWFLSA-N 1 3 382.504 3.782 20 0 GHADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1cccs1 ZINC000647334803 915159478 /nfs/dbraw/zinc/15/94/78/915159478.db2.gz SGDJIBHXGICENC-CUWPLCDZSA-N 1 3 385.577 3.643 20 0 GHADHO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975477 915458056 /nfs/dbraw/zinc/45/80/56/915458056.db2.gz ATMYUVUOHWZEKP-PMPSAXMXSA-N 1 3 383.458 3.744 20 0 GHADHO CN(Cc1cnc(-c2ccccc2F)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648586007 915779895 /nfs/dbraw/zinc/77/98/95/915779895.db2.gz KQJLWIACFKQGSI-QGZVFWFLSA-N 1 3 388.556 3.550 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776969 915859474 /nfs/dbraw/zinc/85/94/74/915859474.db2.gz RFFMIGAAPHSTGN-PZJWPPBQSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776969 915859487 /nfs/dbraw/zinc/85/94/87/915859487.db2.gz RFFMIGAAPHSTGN-PZJWPPBQSA-N 1 3 386.923 3.910 20 0 GHADHO C[NH+](C)CC1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000361177643 916547897 /nfs/dbraw/zinc/54/78/97/916547897.db2.gz LEBDZSRRURIMSU-UHFFFAOYSA-N 1 3 389.341 3.680 20 0 GHADHO C[NH2+]Cc1ccccc1CNCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000650719171 917248461 /nfs/dbraw/zinc/24/84/61/917248461.db2.gz GPJNHJWOLXXHBO-UHFFFAOYSA-N 1 3 377.488 3.678 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000652073795 917793027 /nfs/dbraw/zinc/79/30/27/917793027.db2.gz QQXWNZSTLSCJHB-CWKRKGSWSA-N 1 3 391.559 3.653 20 0 GHADHO C[C@@H]1CCC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H]1CCN ZINC000652353839 917879013 /nfs/dbraw/zinc/87/90/13/917879013.db2.gz FJWMQDWNRHNVNN-SFGWALBWSA-N 1 3 385.577 3.793 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H]1CCN ZINC000652353839 917879018 /nfs/dbraw/zinc/87/90/18/917879018.db2.gz FJWMQDWNRHNVNN-SFGWALBWSA-N 1 3 385.577 3.793 20 0 GHADHO C[C@@H]1CCCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H]1CC[NH3+] ZINC000652353839 917879022 /nfs/dbraw/zinc/87/90/22/917879022.db2.gz FJWMQDWNRHNVNN-SFGWALBWSA-N 1 3 385.577 3.793 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000903767938 923269368 /nfs/dbraw/zinc/26/93/68/923269368.db2.gz JRAKCJNQVRLZIU-KJXAQDMKSA-N 1 3 399.510 3.757 20 0 GHADHO C[C@H](CCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)[NH+]1CCCCC1 ZINC000680314372 925438128 /nfs/dbraw/zinc/43/81/28/925438128.db2.gz RINAXHQKLFUJNV-NHCUHLMSSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000410373707 925586082 /nfs/dbraw/zinc/58/60/82/925586082.db2.gz RCQYOPUAGLFLSG-FQEVSTJZSA-N 1 3 398.595 3.831 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000410373707 925586083 /nfs/dbraw/zinc/58/60/83/925586083.db2.gz RCQYOPUAGLFLSG-FQEVSTJZSA-N 1 3 398.595 3.831 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000410389852 925609951 /nfs/dbraw/zinc/60/99/51/925609951.db2.gz DFGGSCOMELNWEE-HXUWFJFHSA-N 1 3 388.600 3.790 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000410389852 925609954 /nfs/dbraw/zinc/60/99/54/925609954.db2.gz DFGGSCOMELNWEE-HXUWFJFHSA-N 1 3 388.600 3.790 20 0 GHADHO Cc1ccsc1[C@H](Cc1ccccc1)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411517631 926486515 /nfs/dbraw/zinc/48/65/15/926486515.db2.gz MXGDOIGFQXOPSD-NRFANRHFSA-N 1 3 399.604 3.919 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411553139 926508530 /nfs/dbraw/zinc/50/85/30/926508530.db2.gz QTKOAXYSAHYVRY-GHTZIAJQSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411553139 926508539 /nfs/dbraw/zinc/50/85/39/926508539.db2.gz QTKOAXYSAHYVRY-GHTZIAJQSA-N 1 3 376.504 3.779 20 0 GHADHO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000470358880 930559687 /nfs/dbraw/zinc/55/96/87/930559687.db2.gz HMJIQHDFZYZNOY-UHFFFAOYSA-N 1 3 383.923 3.585 20 0 GHADHO CC(C)[NH+](CCCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000470489014 930660481 /nfs/dbraw/zinc/66/04/81/930660481.db2.gz BDNWGWWLNNRFFR-OAQYLSRUSA-N 1 3 388.600 3.801 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)c(F)c1 ZINC000781419870 930836243 /nfs/dbraw/zinc/83/62/43/930836243.db2.gz FSDIOAOEQASPTH-TWRVUUBYSA-N 1 3 386.486 3.889 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)c(F)c1 ZINC000781419870 930836252 /nfs/dbraw/zinc/83/62/52/930836252.db2.gz FSDIOAOEQASPTH-TWRVUUBYSA-N 1 3 386.486 3.889 20 0 GHADHO C[C@](O)(CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000781422885 930838781 /nfs/dbraw/zinc/83/87/81/930838781.db2.gz QDMAWCSGVDWEFU-LSUHJGNXSA-N 1 3 382.523 3.924 20 0 GHADHO C[C@](O)(CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000781422885 930838791 /nfs/dbraw/zinc/83/87/91/930838791.db2.gz QDMAWCSGVDWEFU-LSUHJGNXSA-N 1 3 382.523 3.924 20 0 GHADHO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000547509030 931081573 /nfs/dbraw/zinc/08/15/73/931081573.db2.gz RYMHIGABPMNQKP-GCJKJVERSA-N 1 3 381.520 3.524 20 0 GHADHO Cc1ccc([C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)N2CCCC2)cc1 ZINC000557581865 931557894 /nfs/dbraw/zinc/55/78/94/931557894.db2.gz MXZCPCSKQHVATM-QHCPKHFHSA-N 1 3 379.548 3.666 20 0 GHADHO CN(C)CC[NH+]1CCC(CN[C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924960587 931594950 /nfs/dbraw/zinc/59/49/50/931594950.db2.gz TUTJHAGEROIBRK-XMMPIXPASA-N 1 3 392.547 3.780 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000925557865 931822483 /nfs/dbraw/zinc/82/24/83/931822483.db2.gz QBPGSJMMLDEIDY-ZTCHMBHUSA-N 1 3 397.607 3.540 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000558316552 931937723 /nfs/dbraw/zinc/93/77/23/931937723.db2.gz LLXJFMUAUKAURU-IRLDBZIGSA-N 1 3 388.600 3.517 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000558316552 931937732 /nfs/dbraw/zinc/93/77/32/931937732.db2.gz LLXJFMUAUKAURU-IRLDBZIGSA-N 1 3 388.600 3.517 20 0 GHADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000558476903 932024650 /nfs/dbraw/zinc/02/46/50/932024650.db2.gz ZJABLCYBJZJVES-PMNYKWLYSA-N 1 3 383.580 3.618 20 0 GHADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000558476903 932024658 /nfs/dbraw/zinc/02/46/58/932024658.db2.gz ZJABLCYBJZJVES-PMNYKWLYSA-N 1 3 383.580 3.618 20 0 GHADHO COc1cc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000798498352 932673686 /nfs/dbraw/zinc/67/36/86/932673686.db2.gz QYPZBNSXAQALFI-QHCPKHFHSA-N 1 3 384.520 3.714 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CNCc3cnc(-c4ccncc4)s3)cc2)CC1 ZINC000560073424 933049697 /nfs/dbraw/zinc/04/96/97/933049697.db2.gz UMUZGIZWXGHWNG-UHFFFAOYSA-N 1 3 394.544 3.968 20 0 GHADHO CCNC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000560543482 933328690 /nfs/dbraw/zinc/32/86/90/933328690.db2.gz IHFMDGGUBGZRHJ-YPAWHYETSA-N 1 3 383.580 3.573 20 0 GHADHO OC1(Cc2ccccn2)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000930988242 934327361 /nfs/dbraw/zinc/32/73/61/934327361.db2.gz YMJDMHAOCXYVTA-UHFFFAOYSA-N 1 3 379.548 3.637 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C[C@H]1C(F)(F)F ZINC001119943403 934422522 /nfs/dbraw/zinc/42/25/22/934422522.db2.gz PBJMRJMXWWDQHA-YYIAUSFCSA-N 1 3 378.479 3.607 20 0 GHADHO CC1CCN(C[C@@H](O)C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000545460802 1015895690 /nfs/dbraw/zinc/89/56/90/1015895690.db2.gz LUICXKQTUMZDFD-VXKWHMMOSA-N 1 3 387.955 3.701 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000468750022 1015990631 /nfs/dbraw/zinc/99/06/31/1015990631.db2.gz UOZUQXMKWWZHLF-KSZLIROESA-N 1 3 383.536 3.972 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000468750022 1015990633 /nfs/dbraw/zinc/99/06/33/1015990633.db2.gz UOZUQXMKWWZHLF-KSZLIROESA-N 1 3 383.536 3.972 20 0 GHADHO CCc1ccc(CN(CC[NH3+])C(=O)C[C@H](N)c2cccc(C(F)(F)F)c2)cc1 ZINC001220905094 1032180379 /nfs/dbraw/zinc/18/03/79/1032180379.db2.gz PMLAZAKPDWBKOL-IBGZPJMESA-N 1 3 393.453 3.645 20 0 GHADHO O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001221036955 1032247346 /nfs/dbraw/zinc/24/73/46/1032247346.db2.gz MOVLBILWPCILHF-YTFSRNRJSA-N 1 3 395.522 3.866 20 0 GHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC001221913988 1032571923 /nfs/dbraw/zinc/57/19/23/1032571923.db2.gz YEXBPVMKOPDWDA-PXNSSMCTSA-N 1 3 392.563 3.628 20 0 GHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC001221913988 1032571926 /nfs/dbraw/zinc/57/19/26/1032571926.db2.gz YEXBPVMKOPDWDA-PXNSSMCTSA-N 1 3 392.563 3.628 20 0 GHADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OCc1ccccc1 ZINC000925850933 1017161529 /nfs/dbraw/zinc/16/15/29/1017161529.db2.gz ADOKHYFJCGFIEU-UYAOXDASSA-N 1 3 394.515 3.602 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000558492576 1017214437 /nfs/dbraw/zinc/21/44/37/1017214437.db2.gz LHRIFBWASINEHF-QFIPXVFZSA-N 1 3 389.547 3.968 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000558492576 1017214448 /nfs/dbraw/zinc/21/44/48/1017214448.db2.gz LHRIFBWASINEHF-QFIPXVFZSA-N 1 3 389.547 3.968 20 0 GHADHO CC(C)c1noc([C@H]2CCCN(Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204269644 1032713179 /nfs/dbraw/zinc/71/31/79/1032713179.db2.gz IWZSMIDCYJEXLM-IBGZPJMESA-N 1 3 386.540 3.903 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000575333275 1019933619 /nfs/dbraw/zinc/93/36/19/1019933619.db2.gz FLJNCRZWPMXVBE-XXBNENTESA-N 1 3 377.532 3.848 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000579593379 1020426582 /nfs/dbraw/zinc/42/65/82/1020426582.db2.gz GDRZCJMPJNFDQU-UEXGIBASSA-N 1 3 379.548 3.727 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834502503 1021229151 /nfs/dbraw/zinc/22/91/51/1021229151.db2.gz QKULITDUXOQOJF-MOUTVQLLSA-N 1 3 380.532 3.761 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834502503 1021229162 /nfs/dbraw/zinc/22/91/62/1021229162.db2.gz QKULITDUXOQOJF-MOUTVQLLSA-N 1 3 380.532 3.761 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCOC23CCOCC3)ccc1OC ZINC000903389534 1021599208 /nfs/dbraw/zinc/59/92/08/1021599208.db2.gz MVGSBPGEOKVWLU-LAUBAEHRSA-N 1 3 376.541 3.526 20 0 GHADHO Cc1ccc2ncc(CN3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)n2c1 ZINC001137306511 1021869640 /nfs/dbraw/zinc/86/96/40/1021869640.db2.gz WZIOSQUVCDSYJI-UHFFFAOYSA-N 1 3 389.547 3.914 20 0 GHADHO Cc1ccc2ncc(CN3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n2c1 ZINC001137306511 1021869663 /nfs/dbraw/zinc/86/96/63/1021869663.db2.gz WZIOSQUVCDSYJI-UHFFFAOYSA-N 1 3 389.547 3.914 20 0 GHADHO C[NH+]1CCC(CC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000680371193 1022148520 /nfs/dbraw/zinc/14/85/20/1022148520.db2.gz VHMBDBQUJRKOIF-UHFFFAOYSA-N 1 3 383.580 3.766 20 0 GHADHO CN(Cc1ccc(N2CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C2)nc1)C1CC1 ZINC001156471596 1033051968 /nfs/dbraw/zinc/05/19/68/1033051968.db2.gz BWDLXJPWMALHOU-LJQANCHMSA-N 1 3 390.648 3.547 20 0 GHADHO CN1CCN(Cc2ccc(Nc3ccc(OC4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC001204750882 1033065660 /nfs/dbraw/zinc/06/56/60/1033065660.db2.gz DQAVFXCTPYBYLH-UHFFFAOYSA-N 1 3 394.563 3.651 20 0 GHADHO CCC(=O)N(c1ccccc1)C1CCN(Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001204757560 1033070950 /nfs/dbraw/zinc/07/09/50/1033070950.db2.gz ZVVODSAPIXUDFB-UHFFFAOYSA-N 1 3 377.532 3.740 20 0 GHADHO COc1ccc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)cc1N ZINC001140897758 1022828738 /nfs/dbraw/zinc/82/87/38/1022828738.db2.gz YYWPWYLXSFAEMX-NRFANRHFSA-N 1 3 395.547 3.533 20 0 GHADHO COC(=O)c1ccc2c(C[NH+]3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)c[nH]c2c1 ZINC001138266323 1024504155 /nfs/dbraw/zinc/50/41/55/1024504155.db2.gz PXJKBCKEGFEMMY-SFTDATJTSA-N 1 3 389.499 3.518 20 0 GHADHO Cn1nc(C(F)(F)F)cc1-c1ccc(CN2CC3(C2)CC[NH+](C)CC3)s1 ZINC001138275097 1024524782 /nfs/dbraw/zinc/52/47/82/1024524782.db2.gz DIKJFELUURRGQQ-UHFFFAOYSA-N 1 3 384.471 3.695 20 0 GHADHO COc1cc2cccnc2c(N(c2cc(CN(C)C)ccn2)[C@@H](C)CCC[NH3+])c1 ZINC001156755414 1033225029 /nfs/dbraw/zinc/22/50/29/1033225029.db2.gz NDLUEUQCUVMFDM-KRWDZBQOSA-N 1 3 393.535 3.966 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC001141366733 1024735637 /nfs/dbraw/zinc/73/56/37/1024735637.db2.gz ZOIXDDBPJSPIGG-LEWJYISDSA-N 1 3 389.609 3.925 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC001141366733 1024735652 /nfs/dbraw/zinc/73/56/52/1024735652.db2.gz ZOIXDDBPJSPIGG-LEWJYISDSA-N 1 3 389.609 3.925 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC001141366736 1024735809 /nfs/dbraw/zinc/73/58/09/1024735809.db2.gz ZOIXDDBPJSPIGG-SFTDATJTSA-N 1 3 389.609 3.925 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC001141366736 1024735816 /nfs/dbraw/zinc/73/58/16/1024735816.db2.gz ZOIXDDBPJSPIGG-SFTDATJTSA-N 1 3 389.609 3.925 20 0 GHADHO CN1CCN(C2(c3ccc(Nc4c[nH+]ccc4N4CCCC4)cc3)CC2)CC1 ZINC001205102469 1033253479 /nfs/dbraw/zinc/25/34/79/1033253479.db2.gz QTWKNQOBXRHEHF-UHFFFAOYSA-N 1 3 377.536 3.662 20 0 GHADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N(CC[NH3+])c1cccc2ccccc21 ZINC001162004971 1025533381 /nfs/dbraw/zinc/53/33/81/1025533381.db2.gz OIPLZZCDGHYTQP-UHFFFAOYSA-N 1 3 391.519 3.775 20 0 GHADHO CCCOc1ccccc1CN1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138998924 1025743890 /nfs/dbraw/zinc/74/38/90/1025743890.db2.gz RECJXPNZGORXFB-UHFFFAOYSA-N 1 3 382.552 3.716 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4c(C)n[nH]c4C)CC3)CC2)c1 ZINC001139097383 1025908854 /nfs/dbraw/zinc/90/88/54/1025908854.db2.gz XUYTZWSFMNCZEN-UHFFFAOYSA-N 1 3 382.552 3.913 20 0 GHADHO CN1CC[C@]2(CC[N@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656066 1026516968 /nfs/dbraw/zinc/51/69/68/1026516968.db2.gz NAEWUEBKYFCVDM-NRFANRHFSA-N 1 3 391.581 3.569 20 0 GHADHO CN1CC[C@]2(CC[N@@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656066 1026516974 /nfs/dbraw/zinc/51/69/74/1026516974.db2.gz NAEWUEBKYFCVDM-NRFANRHFSA-N 1 3 391.581 3.569 20 0 GHADHO COc1cc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cc2c1OCO2 ZINC001209712343 1027110741 /nfs/dbraw/zinc/11/07/41/1027110741.db2.gz NJKSLOSAKLWCCC-NRFANRHFSA-N 1 3 398.503 3.894 20 0 GHADHO COc1cc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cc2c1OCO2 ZINC001209712343 1027110750 /nfs/dbraw/zinc/11/07/50/1027110750.db2.gz NJKSLOSAKLWCCC-NRFANRHFSA-N 1 3 398.503 3.894 20 0 GHADHO c1ccc([C@@H](CNc2cncc([C@H]3CN4CCC3CC4)n2)[NH+]2CCCC2)cc1 ZINC001166890434 1027136468 /nfs/dbraw/zinc/13/64/68/1027136468.db2.gz ZPQMXODTDJPEFK-RBBKRZOGSA-N 1 3 377.536 3.535 20 0 GHADHO CC(=O)OCc1ccc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)o1 ZINC001141783832 1027265068 /nfs/dbraw/zinc/26/50/68/1027265068.db2.gz FMOKYELPOBKWMD-NRFANRHFSA-N 1 3 386.492 3.812 20 0 GHADHO CC(=O)OCc1ccc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)o1 ZINC001141783832 1027265077 /nfs/dbraw/zinc/26/50/77/1027265077.db2.gz FMOKYELPOBKWMD-NRFANRHFSA-N 1 3 386.492 3.812 20 0 GHADHO COc1cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc(OC)c1 ZINC001203855256 1027663037 /nfs/dbraw/zinc/66/30/37/1027663037.db2.gz MFYFQDOPRAATQS-UHFFFAOYSA-N 1 3 381.520 3.587 20 0 GHADHO COc1cc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc(OC)c1 ZINC001203855256 1027663061 /nfs/dbraw/zinc/66/30/61/1027663061.db2.gz MFYFQDOPRAATQS-UHFFFAOYSA-N 1 3 381.520 3.587 20 0 GHADHO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000841078656 1028098202 /nfs/dbraw/zinc/09/82/02/1028098202.db2.gz HKTBVKBWSCSWFL-KRWDZBQOSA-N 1 3 379.335 3.778 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001461345403 1069510893 /nfs/dbraw/zinc/51/08/93/1069510893.db2.gz NASVVGGQBHQCRP-DNQXCXABSA-N 1 3 380.532 3.733 20 0 GHADHO Cc1ccc2ccccc2c1CN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001142380523 1028788149 /nfs/dbraw/zinc/78/81/49/1028788149.db2.gz UJXBKQZMEFATDX-UHFFFAOYSA-N 1 3 392.547 3.829 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)C1 ZINC000842677917 1029484398 /nfs/dbraw/zinc/48/43/98/1029484398.db2.gz MHCLJVSLOCJEPV-FUMNGEBKSA-N 1 3 379.589 3.732 20 0 GHADHO COc1cc(OC)c(OC)cc1CN1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222110135 1029967287 /nfs/dbraw/zinc/96/72/87/1029967287.db2.gz YURMWVFANSORED-UHFFFAOYSA-N 1 3 376.541 3.848 20 0 GHADHO CCOC(=O)COc1ccccc1CN1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222113807 1029969382 /nfs/dbraw/zinc/96/93/82/1029969382.db2.gz OLOLXSAKOGCRCX-UHFFFAOYSA-N 1 3 388.552 3.764 20 0 GHADHO CCOC(=O)c1cn2cccc(CN3CCCC4(CCCC[NH2+]C4)CCC3)c2n1 ZINC001222119871 1029970584 /nfs/dbraw/zinc/97/05/84/1029970584.db2.gz OHDMJXAPBCEDFG-UHFFFAOYSA-N 1 3 398.551 3.647 20 0 GHADHO CC(C)(C)OC(=O)NC/C=C/CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407629 1029980199 /nfs/dbraw/zinc/98/01/99/1029980199.db2.gz VMWYKBOZCZPQQG-AQKVLALTSA-N 1 3 385.552 3.854 20 0 GHADHO CC(C)(C)OC(=O)NC/C=C/CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407629 1029980206 /nfs/dbraw/zinc/98/02/06/1029980206.db2.gz VMWYKBOZCZPQQG-AQKVLALTSA-N 1 3 385.552 3.854 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3c(Cl)cccc3C(F)(F)F)CC2)CC1 ZINC001143295294 1029999555 /nfs/dbraw/zinc/99/95/55/1029999555.db2.gz HTWDROFCHFLWBS-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO Cc1ccc(CN2CCOCC3(CC[NH2+]CC3)C2)c(OCc2ccccc2)c1 ZINC001222408077 1030113261 /nfs/dbraw/zinc/11/32/61/1030113261.db2.gz XNARRUFCSAJCEH-UHFFFAOYSA-N 1 3 380.532 3.776 20 0 GHADHO Cc1ccc(I)cc1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222457559 1030143761 /nfs/dbraw/zinc/14/37/61/1030143761.db2.gz PVACFKSYTAXWRH-UHFFFAOYSA-N 1 3 384.305 3.565 20 0 GHADHO CC1(C)C[C@H](C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CCO1 ZINC001222576211 1030208141 /nfs/dbraw/zinc/20/81/41/1030208141.db2.gz RWYPQIQYQHSSBC-FGZHOGPDSA-N 1 3 386.580 3.995 20 0 GHADHO CC1(C)C[C@H](C[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CCO1 ZINC001222576211 1030208157 /nfs/dbraw/zinc/20/81/57/1030208157.db2.gz RWYPQIQYQHSSBC-FGZHOGPDSA-N 1 3 386.580 3.995 20 0 GHADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1 ZINC001220384333 1031921011 /nfs/dbraw/zinc/92/10/11/1031921011.db2.gz PEBZZPYXNXIUSY-SFTDATJTSA-N 1 3 395.547 3.869 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC001220634467 1032034148 /nfs/dbraw/zinc/03/41/48/1032034148.db2.gz WWGXZEGWZCXCLD-SIKLNZKXSA-N 1 3 388.600 3.519 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC001220634467 1032034163 /nfs/dbraw/zinc/03/41/63/1032034163.db2.gz WWGXZEGWZCXCLD-SIKLNZKXSA-N 1 3 388.600 3.519 20 0 GHADHO c1ccc2c(c1)ncnc2N(c1ccc(CN2CCCC2)cn1)C1CC[NH2+]CC1 ZINC001157328803 1033537435 /nfs/dbraw/zinc/53/74/35/1033537435.db2.gz PMSVSLVANVMXAJ-UHFFFAOYSA-N 1 3 388.519 3.511 20 0 GHADHO COC[C@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC001205866870 1033613398 /nfs/dbraw/zinc/61/33/98/1033613398.db2.gz GNCIXQGDADGXAN-PELRDEGISA-N 1 3 380.960 3.693 20 0 GHADHO CCC(=O)C1(c2cccc(O[C@@H]3[C@@H]4CCC[C@H]3C[N@@H+](C)C4)c2)CCN(C)CC1 ZINC001229736842 1033676060 /nfs/dbraw/zinc/67/60/60/1033676060.db2.gz ISUAKANSMQLEPO-BBIADKPPSA-N 1 3 384.564 3.738 20 0 GHADHO CCC(=O)C1(c2cccc(O[C@@H]3[C@@H]4CCC[C@H]3C[N@H+](C)C4)c2)CCN(C)CC1 ZINC001229736842 1033676066 /nfs/dbraw/zinc/67/60/66/1033676066.db2.gz ISUAKANSMQLEPO-BBIADKPPSA-N 1 3 384.564 3.738 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207193371 1034163397 /nfs/dbraw/zinc/16/33/97/1034163397.db2.gz ACPLLICHWUAHRB-VQTJNVASSA-N 1 3 379.589 3.972 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207193371 1034163402 /nfs/dbraw/zinc/16/34/02/1034163402.db2.gz ACPLLICHWUAHRB-VQTJNVASSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294796 1034248301 /nfs/dbraw/zinc/24/83/01/1034248301.db2.gz UPPNZFMZJPXHPJ-VXKWHMMOSA-N 1 3 399.579 3.982 20 0 GHADHO c1ccc2c(c1)N=C(N1CCN(CC3CC[NH2+]CC3)CC1)c1ccccc1S2 ZINC001207438098 1034368806 /nfs/dbraw/zinc/36/88/06/1034368806.db2.gz XONVOAUPLIDYBR-UHFFFAOYSA-N 1 3 392.572 3.847 20 0 GHADHO COc1ccnc(Cl)c1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159466603 1034608206 /nfs/dbraw/zinc/60/82/06/1034608206.db2.gz IIQXXLMBGGZMLX-UHFFFAOYSA-N 1 3 384.911 3.653 20 0 GHADHO CCOC[C@@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cn(CC3CCCC3)nc21 ZINC001208106906 1034739633 /nfs/dbraw/zinc/73/96/33/1034739633.db2.gz IUIYFKDWEIXIHZ-NRFANRHFSA-N 1 3 388.600 3.741 20 0 GHADHO N[C@@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC001160461494 1034981565 /nfs/dbraw/zinc/98/15/65/1034981565.db2.gz RJJIYMLRZTZTIT-MSOLQXFVSA-N 1 3 383.458 3.572 20 0 GHADHO COc1ccc(CC[NH+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@@H]3C2)cc1OC ZINC001208751507 1034998189 /nfs/dbraw/zinc/99/81/89/1034998189.db2.gz FNCGLSAFHLHMCS-VXKWHMMOSA-N 1 3 380.532 3.619 20 0 GHADHO O=C(C=C1CC[NH2+]CC1)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160683025 1035035541 /nfs/dbraw/zinc/03/55/41/1035035541.db2.gz JQUCUBDJGMRZJC-DEOSSOPVSA-N 1 3 389.543 3.600 20 0 GHADHO Clc1ccccc1CCC[N@@H+]1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC001208872799 1035070952 /nfs/dbraw/zinc/07/09/52/1035070952.db2.gz SKURIAAUJXCBRD-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO Clc1ccccc1CCC[N@H+]1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC001208872799 1035070963 /nfs/dbraw/zinc/07/09/63/1035070963.db2.gz SKURIAAUJXCBRD-FYYLOGMGSA-N 1 3 399.966 3.891 20 0 GHADHO CCCCN(C(=O)[C@@H](N)CCCC[NH3+])[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001160921648 1035094113 /nfs/dbraw/zinc/09/41/13/1035094113.db2.gz KXRFQYCYHRQVNM-YJBOKZPZSA-N 1 3 387.490 3.721 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931258 1035094988 /nfs/dbraw/zinc/09/49/88/1035094988.db2.gz IQRDXEIUXHDDKV-GBESFXJTSA-N 1 3 388.449 3.626 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931258 1035094992 /nfs/dbraw/zinc/09/49/92/1035094992.db2.gz IQRDXEIUXHDDKV-GBESFXJTSA-N 1 3 388.449 3.626 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208933184 1035097555 /nfs/dbraw/zinc/09/75/55/1035097555.db2.gz USAQOSAEXWNKJS-OAQYLSRUSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208933184 1035097561 /nfs/dbraw/zinc/09/75/61/1035097561.db2.gz USAQOSAEXWNKJS-OAQYLSRUSA-N 1 3 399.579 3.984 20 0 GHADHO O=C1N(CC2CC2)CC[C@]12CCC[N@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208934612 1035099432 /nfs/dbraw/zinc/09/94/32/1035099432.db2.gz JZIVSIZIDZBOKZ-NOZRDPDXSA-N 1 3 395.591 3.623 20 0 GHADHO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208934612 1035099439 /nfs/dbraw/zinc/09/94/39/1035099439.db2.gz JZIVSIZIDZBOKZ-NOZRDPDXSA-N 1 3 395.591 3.623 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208934715 1035100230 /nfs/dbraw/zinc/10/02/30/1035100230.db2.gz FZPRKDSTWIFRCA-HJOGWXRNSA-N 1 3 384.564 3.559 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208934715 1035100233 /nfs/dbraw/zinc/10/02/33/1035100233.db2.gz FZPRKDSTWIFRCA-HJOGWXRNSA-N 1 3 384.564 3.559 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCN(Cc4ccccc4)C3)C[C@H]21 ZINC001208941611 1035111317 /nfs/dbraw/zinc/11/13/17/1035111317.db2.gz MUMGJUSPUBLFHS-BHDDXSALSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCN(Cc4ccccc4)C3)C[C@H]21 ZINC001208941611 1035111321 /nfs/dbraw/zinc/11/13/21/1035111321.db2.gz MUMGJUSPUBLFHS-BHDDXSALSA-N 1 3 399.579 3.840 20 0 GHADHO CN(C[C@@H]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952548 1035125617 /nfs/dbraw/zinc/12/56/17/1035125617.db2.gz KNIUDCFXPVBNMG-LEWJYISDSA-N 1 3 387.568 3.697 20 0 GHADHO CN(C[C@@H]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952548 1035125624 /nfs/dbraw/zinc/12/56/24/1035125624.db2.gz KNIUDCFXPVBNMG-LEWJYISDSA-N 1 3 387.568 3.697 20 0 GHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953512 1035126199 /nfs/dbraw/zinc/12/61/99/1035126199.db2.gz QMWOOOGCXPFWDT-LEWJYISDSA-N 1 3 387.568 3.840 20 0 GHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953512 1035126205 /nfs/dbraw/zinc/12/62/05/1035126205.db2.gz QMWOOOGCXPFWDT-LEWJYISDSA-N 1 3 387.568 3.840 20 0 GHADHO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4cc(F)cc(CN(C)C)c4)C[C@H]3C2)cc1 ZINC001232149187 1035127783 /nfs/dbraw/zinc/12/77/83/1035127783.db2.gz WLFJSUXYHKXZBO-DHIUTWEWSA-N 1 3 381.539 3.760 20 0 GHADHO CCOC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3c[nH]c4c3cccc4C)CC2)C1 ZINC001209484597 1035288540 /nfs/dbraw/zinc/28/85/40/1035288540.db2.gz VNQBRSNXGFEUFO-GOSISDBHSA-N 1 3 383.536 3.716 20 0 GHADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3c(F)ccc(Cl)c3Cl)C[C@H]2CC1 ZINC001278340474 1035799015 /nfs/dbraw/zinc/79/90/15/1035799015.db2.gz MKXWHWJJQOIXAP-GASCZTMLSA-N 1 3 388.358 3.838 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3c(F)ccc(Cl)c3Cl)C[C@H]2CC1 ZINC001278340474 1035799031 /nfs/dbraw/zinc/79/90/31/1035799031.db2.gz MKXWHWJJQOIXAP-GASCZTMLSA-N 1 3 388.358 3.838 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1)CC1CC1 ZINC001248464329 1035892065 /nfs/dbraw/zinc/89/20/65/1035892065.db2.gz OFGKBLDUQPYEFI-NRFANRHFSA-N 1 3 392.632 3.650 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1)CC1CC1 ZINC001248464329 1035892087 /nfs/dbraw/zinc/89/20/87/1035892087.db2.gz OFGKBLDUQPYEFI-NRFANRHFSA-N 1 3 392.632 3.650 20 0 GHADHO CN(C)Cc1ccc(-c2noc(C3(c4ccc(F)cc4)CC[NH2+]CC3)n2)cc1 ZINC001248555279 1035952358 /nfs/dbraw/zinc/95/23/58/1035952358.db2.gz OHKPTZXXICQIPH-UHFFFAOYSA-N 1 3 380.467 3.607 20 0 GHADHO CC(C)(C)[C@@]1(C[NH+]2CCC(Cn3cncn3)CC2)CCN(Cc2ccccc2)C1 ZINC001462131462 1070021263 /nfs/dbraw/zinc/02/12/63/1070021263.db2.gz XZONTOMCFSCEIT-XMMPIXPASA-N 1 3 395.595 3.929 20 0 GHADHO Brc1cccc(OCC[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246099290 1037192773 /nfs/dbraw/zinc/19/27/73/1037192773.db2.gz GOPGPFGVNCKCOU-RBUKOAKNSA-N 1 3 389.337 3.781 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001246261426 1037262324 /nfs/dbraw/zinc/26/23/24/1037262324.db2.gz PRYGLMHQZHKAFP-ILWGZMRPSA-N 1 3 389.584 3.546 20 0 GHADHO O=C1CCNC[C@H]1NC1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001246293209 1037280965 /nfs/dbraw/zinc/28/09/65/1037280965.db2.gz PEYDNKURUYJTRM-KXTRFFEISA-N 1 3 391.559 3.521 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)c(F)c1 ZINC001246356642 1037315797 /nfs/dbraw/zinc/31/57/97/1037315797.db2.gz VFIUFEGTOWDHNA-PKTZIBPZSA-N 1 3 399.529 3.882 20 0 GHADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356829 1037316287 /nfs/dbraw/zinc/31/62/87/1037316287.db2.gz WJPWHGPKKFIFTF-OXQOHEQNSA-N 1 3 383.502 3.825 20 0 GHADHO COc1cccc(CC2(N[C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246374635 1037332445 /nfs/dbraw/zinc/33/24/45/1037332445.db2.gz GGNUFRHUOXZRNP-NFBKMPQASA-N 1 3 393.575 3.613 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CCN1 ZINC001246416610 1037372540 /nfs/dbraw/zinc/37/25/40/1037372540.db2.gz SIBGARQPZGLTDC-QAPCUYQASA-N 1 3 381.358 3.519 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246418437 1037373173 /nfs/dbraw/zinc/37/31/73/1037373173.db2.gz ABLULOCTOIAMLY-RHSMWYFYSA-N 1 3 384.442 3.606 20 0 GHADHO CCOC(=O)CC[C@H](C)NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001246429253 1037390130 /nfs/dbraw/zinc/39/01/30/1037390130.db2.gz PMCQKRVHDONCTB-HNNXBMFYSA-N 1 3 386.458 3.692 20 0 GHADHO CCOC(=O)CC[C@H](C)[NH2+]C1(Cc2ccc(C(F)(F)F)cc2)CCNCC1 ZINC001246429253 1037390151 /nfs/dbraw/zinc/39/01/51/1037390151.db2.gz PMCQKRVHDONCTB-HNNXBMFYSA-N 1 3 386.458 3.692 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)CC1 ZINC001246439227 1037401801 /nfs/dbraw/zinc/40/18/01/1037401801.db2.gz WEEPBULLAXMQCH-IEBWSBKVSA-N 1 3 378.944 3.716 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246469904 1037422814 /nfs/dbraw/zinc/42/28/14/1037422814.db2.gz XCWXCBBMINQGMP-FQEVSTJZSA-N 1 3 384.495 3.830 20 0 GHADHO CC[C@@H]1C[C@@H](NCCc2ccc(OCC(=O)OC(C)(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246485694 1037431931 /nfs/dbraw/zinc/43/19/31/1037431931.db2.gz VUAZPTKSEHICJV-ACDBMABISA-N 1 3 390.568 3.848 20 0 GHADHO CCC[C@@H](CC)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246491489 1037436941 /nfs/dbraw/zinc/43/69/41/1037436941.db2.gz FBTSTEUEGOVJIU-APWZRJJASA-N 1 3 387.524 3.706 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCC[NH2+][C@@H]3CCC[C@@H](C)C3)ccc12 ZINC001246498232 1037442163 /nfs/dbraw/zinc/44/21/63/1037442163.db2.gz VQQNLENHHGTVCY-MDYRTPRTSA-N 1 3 399.535 3.706 20 0 GHADHO Clc1ccccc1N1CCC(N2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)CC1 ZINC001246629362 1037514393 /nfs/dbraw/zinc/51/43/93/1037514393.db2.gz YYWVGNUFYNNXPV-FQEVSTJZSA-N 1 3 381.951 3.998 20 0 GHADHO Clc1ccccc1N1CCC([N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)CC1 ZINC001246629362 1037514408 /nfs/dbraw/zinc/51/44/08/1037514408.db2.gz YYWVGNUFYNNXPV-FQEVSTJZSA-N 1 3 381.951 3.998 20 0 GHADHO Clc1ccccc1N1CCC([N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)CC1 ZINC001246629362 1037514421 /nfs/dbraw/zinc/51/44/21/1037514421.db2.gz YYWVGNUFYNNXPV-FQEVSTJZSA-N 1 3 381.951 3.998 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675102 1037540772 /nfs/dbraw/zinc/54/07/72/1037540772.db2.gz VXPBOUDXBMSHLP-SGIRGMQISA-N 1 3 392.543 3.990 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675102 1037540792 /nfs/dbraw/zinc/54/07/92/1037540792.db2.gz VXPBOUDXBMSHLP-SGIRGMQISA-N 1 3 392.543 3.990 20 0 GHADHO Fc1cccc(N2CCC(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)c1 ZINC001246687882 1037547477 /nfs/dbraw/zinc/54/74/77/1037547477.db2.gz YJBRKKCAYRNPGW-RPWUZVMVSA-N 1 3 379.523 3.874 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CC[NH2+]1 ZINC001246724162 1037574785 /nfs/dbraw/zinc/57/47/85/1037574785.db2.gz USEGMPSFMHIKSI-FQOCKNPQSA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CCN1 ZINC001246724162 1037574795 /nfs/dbraw/zinc/57/47/95/1037574795.db2.gz USEGMPSFMHIKSI-FQOCKNPQSA-N 1 3 375.601 3.943 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CCN1 ZINC001246724162 1037574817 /nfs/dbraw/zinc/57/48/17/1037574817.db2.gz USEGMPSFMHIKSI-FQOCKNPQSA-N 1 3 375.601 3.943 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H](N2CCN(CCc3ccccc3)CC2)CC[NH2+]1 ZINC001246790680 1037630468 /nfs/dbraw/zinc/63/04/68/1037630468.db2.gz LWGWFZOIFFKELN-ISKFKSNPSA-N 1 3 381.539 3.788 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CCN(CCc3ccccc3)CC2)CC[NH2+]1 ZINC001246790684 1037630500 /nfs/dbraw/zinc/63/05/00/1037630500.db2.gz LWGWFZOIFFKELN-UPVQGACJSA-N 1 3 381.539 3.788 20 0 GHADHO CC[C@@H]1CC(N2CCN[C@H](c3cccc(Br)c3)C2)C[C@@H](CC)[NH2+]1 ZINC001246803917 1037638297 /nfs/dbraw/zinc/63/82/97/1037638297.db2.gz DYFLLQGSLIHUOM-LMMKCTJWSA-N 1 3 380.374 3.705 20 0 GHADHO C[C@@H](Cc1ccc(Br)cc1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246870406 1037686258 /nfs/dbraw/zinc/68/62/58/1037686258.db2.gz AUQTZKZDXCLWDQ-SCWSEQNSSA-N 1 3 385.349 3.853 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951582 1037755612 /nfs/dbraw/zinc/75/56/12/1037755612.db2.gz LZFVJMACMWPOOK-UYAOXDASSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951582 1037755620 /nfs/dbraw/zinc/75/56/20/1037755620.db2.gz LZFVJMACMWPOOK-UYAOXDASSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246964713 1037787749 /nfs/dbraw/zinc/78/77/49/1037787749.db2.gz MSZCSRNOXREELN-XLIONFOSSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246964713 1037787769 /nfs/dbraw/zinc/78/77/69/1037787769.db2.gz MSZCSRNOXREELN-XLIONFOSSA-N 1 3 376.516 3.810 20 0 GHADHO Brc1ccc(N2CCC([N@H+](C[C@@H]3CCCNC3)C3CC3)CC2)cc1 ZINC001246974209 1037796601 /nfs/dbraw/zinc/79/66/01/1037796601.db2.gz QESGIYJGYGIUCH-MRXNPFEDSA-N 1 3 392.385 3.882 20 0 GHADHO Brc1ccc(N2CCC([N@@H+](C[C@@H]3CCCNC3)C3CC3)CC2)cc1 ZINC001246974209 1037796626 /nfs/dbraw/zinc/79/66/26/1037796626.db2.gz QESGIYJGYGIUCH-MRXNPFEDSA-N 1 3 392.385 3.882 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC[C@@H](N3CCCCC3)[C@@H](F)C2)CC[NH2+]1 ZINC001247014468 1037838711 /nfs/dbraw/zinc/83/87/11/1037838711.db2.gz DBBJABWDPIUVOA-VXSCBNMQSA-N 1 3 377.523 3.826 20 0 GHADHO CCOc1ncc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1C ZINC001232309995 1038065561 /nfs/dbraw/zinc/06/55/61/1038065561.db2.gz RYTNZKWWPQHEBE-UHFFFAOYSA-N 1 3 380.536 3.672 20 0 GHADHO CCOc1ncc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1C ZINC001232309995 1038065585 /nfs/dbraw/zinc/06/55/85/1038065585.db2.gz RYTNZKWWPQHEBE-UHFFFAOYSA-N 1 3 380.536 3.672 20 0 GHADHO CN1CC[C@@]2(CC[N@H+](Cc3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001232770624 1038545277 /nfs/dbraw/zinc/54/52/77/1038545277.db2.gz QDNUIOPICGJIKM-OAQYLSRUSA-N 1 3 391.581 3.569 20 0 GHADHO CN1CC[C@@]2(CC[N@@H+](Cc3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001232770624 1038545284 /nfs/dbraw/zinc/54/52/84/1038545284.db2.gz QDNUIOPICGJIKM-OAQYLSRUSA-N 1 3 391.581 3.569 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C[C@H](O)c1ccccc1)CC2 ZINC001251985534 1038793493 /nfs/dbraw/zinc/79/34/93/1038793493.db2.gz JJIKBUGSILHSJL-CTNGQTDRSA-N 1 3 386.561 3.537 20 0 GHADHO Oc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)cc1OCC1CC1 ZINC001233223684 1038983536 /nfs/dbraw/zinc/98/35/36/1038983536.db2.gz INYPLCSWLSHYNQ-UHFFFAOYSA-N 1 3 388.552 3.505 20 0 GHADHO O[C@]1(CNCCc2cc(C(F)(F)F)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC001252948049 1039291568 /nfs/dbraw/zinc/29/15/68/1039291568.db2.gz IYMYUAICWFKNPF-FQEVSTJZSA-N 1 3 396.428 3.614 20 0 GHADHO O[C@]1(CNCCc2cc(C(F)(F)F)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948049 1039291578 /nfs/dbraw/zinc/29/15/78/1039291578.db2.gz IYMYUAICWFKNPF-FQEVSTJZSA-N 1 3 396.428 3.614 20 0 GHADHO CCN(CC)C[C@H](O)C[NH2+][C@@H](C(C)(C)C)C(O)(c1ccccc1)c1ccccc1 ZINC001253213126 1039476485 /nfs/dbraw/zinc/47/64/85/1039476485.db2.gz LICUALBWDNNNMF-PKTZIBPZSA-N 1 3 398.591 3.630 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4[nH]c(C)nc4C)CC3)CC2)c1 ZINC001234607771 1040165614 /nfs/dbraw/zinc/16/56/14/1040165614.db2.gz BKPXTGJKUQPZSF-UHFFFAOYSA-N 1 3 382.552 3.913 20 0 GHADHO Fc1ccc(N2CCC([NH2+]CC3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC001254621511 1040392885 /nfs/dbraw/zinc/39/28/85/1040392885.db2.gz ZJSKOWZUMIGSRP-UHFFFAOYSA-N 1 3 382.527 3.691 20 0 GHADHO Brc1cc2c(cc1CN1CCCC[C@@H]1C1CC[NH2+]CC1)OCO2 ZINC001235158093 1040651594 /nfs/dbraw/zinc/65/15/94/1040651594.db2.gz UQWPHJWAPXAVBU-MRXNPFEDSA-N 1 3 381.314 3.532 20 0 GHADHO Ic1csc(CN2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235158654 1040654234 /nfs/dbraw/zinc/65/42/34/1040654234.db2.gz LZHXJYIJFRRCCB-HNNXBMFYSA-N 1 3 390.334 3.707 20 0 GHADHO O[C@@H](CF)CN[C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075836 1040766694 /nfs/dbraw/zinc/76/66/94/1040766694.db2.gz JEIZSYINIIIKRB-CJRSTVEYSA-N 1 3 382.523 3.671 20 0 GHADHO O[C@@H](CF)CN[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075836 1040766706 /nfs/dbraw/zinc/76/67/06/1040766706.db2.gz JEIZSYINIIIKRB-CJRSTVEYSA-N 1 3 382.523 3.671 20 0 GHADHO COc1cccc([C@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001255123856 1040814720 /nfs/dbraw/zinc/81/47/20/1040814720.db2.gz FEQWYLHZVFETEJ-KHUIQGCPSA-N 1 3 380.532 3.904 20 0 GHADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001255128158 1040819828 /nfs/dbraw/zinc/81/98/28/1040819828.db2.gz MMIMVBKBLOIIPB-NUNAXRQHSA-N 1 3 389.543 3.751 20 0 GHADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001255128158 1040819849 /nfs/dbraw/zinc/81/98/49/1040819849.db2.gz MMIMVBKBLOIIPB-NUNAXRQHSA-N 1 3 389.543 3.751 20 0 GHADHO FC1(F)CN(C2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)C1 ZINC001255145562 1040857690 /nfs/dbraw/zinc/85/76/90/1040857690.db2.gz RBLMHDIWHYCXPX-AERCQKQUSA-N 1 3 375.507 3.597 20 0 GHADHO FC1(F)CN(C2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1 ZINC001255145562 1040857695 /nfs/dbraw/zinc/85/76/95/1040857695.db2.gz RBLMHDIWHYCXPX-AERCQKQUSA-N 1 3 375.507 3.597 20 0 GHADHO c1ccc([C@@]23CC[NH2+]C[C@H]2CN(Cc2ccc(-c4cnccn4)cc2)CC3)cc1 ZINC001235368648 1040864632 /nfs/dbraw/zinc/86/46/32/1040864632.db2.gz KFJUDNJMFVPLMM-ZCYQVOJMSA-N 1 3 384.527 3.897 20 0 GHADHO Brc1cnc2[nH]cc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235424321 1040926939 /nfs/dbraw/zinc/92/69/39/1040926939.db2.gz GVXMKUBEIIYPJD-UONOGXRCSA-N 1 3 377.330 3.537 20 0 GHADHO COCCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)cc1F ZINC001255390564 1040978340 /nfs/dbraw/zinc/97/83/40/1040978340.db2.gz IXXABKZLUAWYFM-OAQYLSRUSA-N 1 3 386.511 3.995 20 0 GHADHO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)cc1 ZINC001255389650 1040978452 /nfs/dbraw/zinc/97/84/52/1040978452.db2.gz OVXKNCWFXNRPGS-OAQYLSRUSA-N 1 3 386.561 3.625 20 0 GHADHO COc1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC001255390372 1040978732 /nfs/dbraw/zinc/97/87/32/1040978732.db2.gz BRRWCBHTTVPHMM-FQEVSTJZSA-N 1 3 384.520 3.857 20 0 GHADHO CC(C)c1nnc2ccc(C[NH2+][C@@H]3CCCN(Cc4ccccc4)CC3)cn21 ZINC001255392775 1040981652 /nfs/dbraw/zinc/98/16/52/1040981652.db2.gz LIXNCQUIKCVRQC-OAQYLSRUSA-N 1 3 377.536 3.997 20 0 GHADHO COC1CCC([NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)CC1 ZINC001255458347 1041061525 /nfs/dbraw/zinc/06/15/25/1041061525.db2.gz AWGNDEPCRKNBOW-JLAWEPINSA-N 1 3 378.582 3.761 20 0 GHADHO Clc1ccc2c(c1)nccc2N1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001235672392 1041129190 /nfs/dbraw/zinc/12/91/90/1041129190.db2.gz CFRFHESUVKVZHM-UHFFFAOYSA-N 1 3 398.963 3.918 20 0 GHADHO Fc1ccc(F)c(O[C@H]2CCN(Cc3cn4c5c3cccc5C[NH2+]CC4)C2)c1 ZINC001235687744 1041157226 /nfs/dbraw/zinc/15/72/26/1041157226.db2.gz IIIUMOLDAPYQKV-SFHVURJKSA-N 1 3 383.442 3.676 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCN(Cc2ccc(Br)cc2)C1 ZINC001255953889 1041433998 /nfs/dbraw/zinc/43/39/98/1041433998.db2.gz QJYSPOQATXABKY-APWZRJJASA-N 1 3 382.390 3.733 20 0 GHADHO CN(Cc1ccc(C(F)(F)F)cc1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235950216 1041454215 /nfs/dbraw/zinc/45/42/15/1041454215.db2.gz UZUOKFYWPJJSAH-UHFFFAOYSA-N 1 3 377.454 3.743 20 0 GHADHO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC001256069338 1041505200 /nfs/dbraw/zinc/50/52/00/1041505200.db2.gz AROPKGUQKCNGQP-OAQYLSRUSA-N 1 3 385.552 3.565 20 0 GHADHO C[NH2+]C1CCC(N(C)Cc2ccc(I)c(F)c2F)CC1 ZINC001236213385 1041624788 /nfs/dbraw/zinc/62/47/88/1041624788.db2.gz REZPZLPOWFUPTI-UHFFFAOYSA-N 1 3 394.247 3.532 20 0 GHADHO c1c(CN2CCN(C3(c4ccccc4)CC3)CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001236229514 1041634305 /nfs/dbraw/zinc/63/43/05/1041634305.db2.gz FCYCXJWVJSHSOX-UHFFFAOYSA-N 1 3 386.543 3.551 20 0 GHADHO [NH3+]CCNC(=O)c1cccc(CN2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001236303848 1041666118 /nfs/dbraw/zinc/66/61/18/1041666118.db2.gz SJMXYMJRZSXBSJ-LJQANCHMSA-N 1 3 391.437 3.731 20 0 GHADHO CC(C)(C)OC(=O)NCCN1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304572 1041666125 /nfs/dbraw/zinc/66/61/25/1041666125.db2.gz KUOYIHDPUZQHID-UHFFFAOYSA-N 1 3 387.568 3.889 20 0 GHADHO CC(=O)OC[C@H]1CCC2(C1)CCN(Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001236322389 1041669791 /nfs/dbraw/zinc/66/97/91/1041669791.db2.gz NEJKDZHYPINECP-IBGZPJMESA-N 1 3 395.547 3.690 20 0 GHADHO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001236534030 1041755520 /nfs/dbraw/zinc/75/55/20/1041755520.db2.gz NICMXAQGEMXUDP-UFYCRDLUSA-N 1 3 376.516 3.973 20 0 GHADHO Nc1ccc(OC(F)(F)F)cc1CN(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236564970 1041765111 /nfs/dbraw/zinc/76/51/11/1041765111.db2.gz RKETVJJUWVLDII-QAQDUYKDSA-N 1 3 394.441 3.835 20 0 GHADHO Cc1ccc(CN2CCC(N3CC[C@@H]([NH3+])C3)CC2)c(OCc2ccccc2)c1 ZINC001236619642 1041785356 /nfs/dbraw/zinc/78/53/56/1041785356.db2.gz ANAFWIQXXMKQOJ-JOCHJYFZSA-N 1 3 379.548 3.571 20 0 GHADHO Cc1cc(CN2CC[C@@H](N3CCC([NH3+])CC3)C2)c(OCc2ccccc2)cc1C ZINC001236622922 1041788777 /nfs/dbraw/zinc/78/87/77/1041788777.db2.gz QSQYJZOAQDTXPS-XMMPIXPASA-N 1 3 393.575 3.880 20 0 GHADHO Brc1cc(CN(C2CCC2)C2CC[NH2+]CC2)ccc1-n1ccnc1 ZINC001236636671 1041796658 /nfs/dbraw/zinc/79/66/58/1041796658.db2.gz HMMXTLRJSNRDJB-UHFFFAOYSA-N 1 3 389.341 3.741 20 0 GHADHO Brc1cc(C[N@H+](C2CCC2)C2CCNCC2)ccc1-n1ccnc1 ZINC001236636671 1041796666 /nfs/dbraw/zinc/79/66/66/1041796666.db2.gz HMMXTLRJSNRDJB-UHFFFAOYSA-N 1 3 389.341 3.741 20 0 GHADHO Brc1cc(C[N@@H+](C2CCC2)C2CCNCC2)ccc1-n1ccnc1 ZINC001236636671 1041796671 /nfs/dbraw/zinc/79/66/71/1041796671.db2.gz HMMXTLRJSNRDJB-UHFFFAOYSA-N 1 3 389.341 3.741 20 0 GHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@H]12 ZINC001236832660 1041921552 /nfs/dbraw/zinc/92/15/52/1041921552.db2.gz WOZRVYQREDYIDX-BPQIPLTHSA-N 1 3 377.410 3.816 20 0 GHADHO CSC1CCN(Cc2ccc(Br)cc2N2CC[NH+](C)CC2)CC1 ZINC001237094538 1042032563 /nfs/dbraw/zinc/03/25/63/1042032563.db2.gz BLOYRIMIFBSXGU-UHFFFAOYSA-N 1 3 398.414 3.528 20 0 GHADHO Cc1ccc(C[N@@H+]2CCCC3(CCN(Cc4cccc(C(N)=O)c4)CC3)C2)cc1 ZINC001237691882 1042328366 /nfs/dbraw/zinc/32/83/66/1042328366.db2.gz APVVBPCFVUOWQY-UHFFFAOYSA-N 1 3 391.559 3.972 20 0 GHADHO Cc1ccc(C[N@H+]2CCCC3(CCN(Cc4cccc(C(N)=O)c4)CC3)C2)cc1 ZINC001237691882 1042328373 /nfs/dbraw/zinc/32/83/73/1042328373.db2.gz APVVBPCFVUOWQY-UHFFFAOYSA-N 1 3 391.559 3.972 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cccc4c3OCC4)C[C@@H]21 ZINC001237748998 1042351726 /nfs/dbraw/zinc/35/17/26/1042351726.db2.gz HSLWZTJDCHFQRD-WTIAFYNJSA-N 1 3 377.532 3.749 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cccc4c3OCC4)C[C@@H]21 ZINC001237748998 1042351730 /nfs/dbraw/zinc/35/17/30/1042351730.db2.gz HSLWZTJDCHFQRD-WTIAFYNJSA-N 1 3 377.532 3.749 20 0 GHADHO CN(C)CCN(C(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001239307510 1042806495 /nfs/dbraw/zinc/80/64/95/1042806495.db2.gz DPPYMODNOXKDGI-LBPRGKRZSA-N 1 3 393.746 3.794 20 0 GHADHO CC(C)S(=O)(=O)c1ccc(-c2ccccc2CN2CCC(C[NH3+])CC2)cc1 ZINC001240207518 1042908920 /nfs/dbraw/zinc/90/89/20/1042908920.db2.gz JDHGPLWPTQLUAX-UHFFFAOYSA-N 1 3 386.561 3.706 20 0 GHADHO CN1CCN(Cc2cccc(-c3ccccc3CO[C@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC001240306403 1042920212 /nfs/dbraw/zinc/92/02/12/1042920212.db2.gz XAWVQDOPCBMPPQ-DQEYMECFSA-N 1 3 393.575 3.888 20 0 GHADHO COc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)cc1C[NH+]1CCCC1 ZINC001240414879 1042927745 /nfs/dbraw/zinc/92/77/45/1042927745.db2.gz FNCZSLDNTCDNSP-UHFFFAOYSA-N 1 3 379.548 3.705 20 0 GHADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1ccc(C(F)(F)F)cc1Cl)CC2 ZINC001278313972 1042931535 /nfs/dbraw/zinc/93/15/35/1042931535.db2.gz IYTDCGWIDAHQHA-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO C[C@@H]1C[C@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256536564 1043480042 /nfs/dbraw/zinc/48/00/42/1043480042.db2.gz FCJWWKUVGZDVGC-ZHHKINOHSA-N 1 3 399.579 3.981 20 0 GHADHO C[C@@H]1C[C@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256536564 1043480062 /nfs/dbraw/zinc/48/00/62/1043480062.db2.gz FCJWWKUVGZDVGC-ZHHKINOHSA-N 1 3 399.579 3.981 20 0 GHADHO C[C@H]1C[C@H](N2CCN(CCc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548591 1043509324 /nfs/dbraw/zinc/50/93/24/1043509324.db2.gz BLQRVDMVFFQCCQ-WIOPSUGQSA-N 1 3 377.576 3.900 20 0 GHADHO C[C@H]1C[C@H](N2CCN(CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548591 1043509340 /nfs/dbraw/zinc/50/93/40/1043509340.db2.gz BLQRVDMVFFQCCQ-WIOPSUGQSA-N 1 3 377.576 3.900 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@H]2COc3ccc(Br)cc3C2)CC1 ZINC001256569015 1043541890 /nfs/dbraw/zinc/54/18/90/1043541890.db2.gz NVWDDNLQOUCQCU-AWEZNQCLSA-N 1 3 381.358 3.853 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC[C@H]2COc3ccc(Br)cc3C2)CC1 ZINC001256569015 1043541901 /nfs/dbraw/zinc/54/19/01/1043541901.db2.gz NVWDDNLQOUCQCU-AWEZNQCLSA-N 1 3 381.358 3.853 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CCN(C(C)(C)C)CC3)C[C@H]21 ZINC001256571040 1043544848 /nfs/dbraw/zinc/54/48/48/1043544848.db2.gz AVOJVQJRKSTGTH-UEVCKROQSA-N 1 3 384.612 3.877 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCN(C(C)(C)C)CC3)C[C@H]21 ZINC001256571040 1043544857 /nfs/dbraw/zinc/54/48/57/1043544857.db2.gz AVOJVQJRKSTGTH-UEVCKROQSA-N 1 3 384.612 3.877 20 0 GHADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256879313 1043717204 /nfs/dbraw/zinc/71/72/04/1043717204.db2.gz KHGZSENSFHITHZ-MRXNPFEDSA-N 1 3 384.490 3.923 20 0 GHADHO CC[C@](N)(CO)NC1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256925778 1043754987 /nfs/dbraw/zinc/75/49/87/1043754987.db2.gz NSRROWYBECRTAP-KXTRFFEISA-N 1 3 381.564 3.647 20 0 GHADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3ccnc(Cl)c3)C[C@H]2CC1 ZINC001279003913 1043946637 /nfs/dbraw/zinc/94/66/37/1043946637.db2.gz BKRXCRHJXJCBFI-CALCHBBNSA-N 1 3 376.957 3.844 20 0 GHADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3ccnc(Cl)c3)C[C@H]2CC1 ZINC001279003913 1043946651 /nfs/dbraw/zinc/94/66/51/1043946651.db2.gz BKRXCRHJXJCBFI-CALCHBBNSA-N 1 3 376.957 3.844 20 0 GHADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1ccnc(Cl)c1)CC2 ZINC001279003929 1043946788 /nfs/dbraw/zinc/94/67/88/1043946788.db2.gz CGJXFCXZOUNFLS-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1ccnc(Cl)c1)CC2 ZINC001279003929 1043946793 /nfs/dbraw/zinc/94/67/93/1043946793.db2.gz CGJXFCXZOUNFLS-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO CC(C)CN1CCC([NH2+]CCc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC001258008837 1044335516 /nfs/dbraw/zinc/33/55/16/1044335516.db2.gz GSOHDLPNDPWHLF-UHFFFAOYSA-N 1 3 389.584 3.964 20 0 GHADHO CCOC(=O)[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC001258138025 1044424179 /nfs/dbraw/zinc/42/41/79/1044424179.db2.gz PNMRXTLYMXFVFA-QHCPKHFHSA-N 1 3 380.532 3.630 20 0 GHADHO COCC[C@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143651 1044429419 /nfs/dbraw/zinc/42/94/19/1044429419.db2.gz OKWCQRAVUIRRTQ-ISKFKSNPSA-N 1 3 386.580 3.601 20 0 GHADHO CCOC(=O)CC[C@@H](C)[NH+]1CCC(NCc2ccc(C(F)(F)F)cc2)CC1 ZINC001258501429 1044584015 /nfs/dbraw/zinc/58/40/15/1044584015.db2.gz UAZBMXSHULPSMU-OAHLLOKOSA-N 1 3 386.458 3.991 20 0 GHADHO C[NH+](C)CC[C@@H](N[C@@H]1CCC(=O)N(Cc2ccccc2)CC1)c1ccccc1 ZINC001258567971 1044645445 /nfs/dbraw/zinc/64/54/45/1044645445.db2.gz IGLXSMBRLPRCTD-DHIUTWEWSA-N 1 3 379.548 3.850 20 0 GHADHO CN(Cc1ccccc1)C1CC[NH+](C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258645456 1044685578 /nfs/dbraw/zinc/68/55/78/1044685578.db2.gz JRZSMDKMXXDRRS-UHFFFAOYSA-N 1 3 391.559 3.888 20 0 GHADHO COc1cc(C[C@@H](C)N[C@H]2CC[N@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC001258863246 1044803369 /nfs/dbraw/zinc/80/33/69/1044803369.db2.gz ZFRVYSJKJMUHPJ-XLIONFOSSA-N 1 3 390.568 3.888 20 0 GHADHO COc1cc(C[C@@H](C)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC001258863246 1044803391 /nfs/dbraw/zinc/80/33/91/1044803391.db2.gz ZFRVYSJKJMUHPJ-XLIONFOSSA-N 1 3 390.568 3.888 20 0 GHADHO COc1cc(C[C@H](C)[N@@H+]2CCCC[C@@H]2CCN2CCCC2)cc(OC)c1OC ZINC001258872111 1044813359 /nfs/dbraw/zinc/81/33/59/1044813359.db2.gz NYSQGFDDJJUAAW-AZUAARDMSA-N 1 3 390.568 3.984 20 0 GHADHO COc1cc(C[C@H](C)[N@H+]2CCCC[C@@H]2CCN2CCCC2)cc(OC)c1OC ZINC001258872111 1044813366 /nfs/dbraw/zinc/81/33/66/1044813366.db2.gz NYSQGFDDJJUAAW-AZUAARDMSA-N 1 3 390.568 3.984 20 0 GHADHO Cc1ccc(C[NH2+][C@@]23CC[C@@](NCC(=O)N(C)C)(C2)CCC3)c(Cl)c1Cl ZINC001279301461 1047760177 /nfs/dbraw/zinc/76/01/77/1047760177.db2.gz IMYZLQLZCCJQKS-VQTJNVASSA-N 1 3 398.378 3.915 20 0 GHADHO CN(C)CC1(C[N@@H+]2CCCC3(CN(CCCC(F)(F)F)C3)C2)CCCC1 ZINC001279492707 1047824029 /nfs/dbraw/zinc/82/40/29/1047824029.db2.gz OIUMUKRWHZRJHE-UHFFFAOYSA-N 1 3 375.523 3.849 20 0 GHADHO CN(C)CC1(C[N@H+]2CCCC3(CN(CCCC(F)(F)F)C3)C2)CCCC1 ZINC001279492707 1047824037 /nfs/dbraw/zinc/82/40/37/1047824037.db2.gz OIUMUKRWHZRJHE-UHFFFAOYSA-N 1 3 375.523 3.849 20 0 GHADHO COCC[C@@H](c1ccccc1)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001307459256 1049296814 /nfs/dbraw/zinc/29/68/14/1049296814.db2.gz ROURKRLNERQKBW-DEOSSOPVSA-N 1 3 381.564 3.514 20 0 GHADHO COCC[C@@H](c1ccccc1)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001307459256 1049296822 /nfs/dbraw/zinc/29/68/22/1049296822.db2.gz ROURKRLNERQKBW-DEOSSOPVSA-N 1 3 381.564 3.514 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3cc(Br)ccc3C)CC2)CC1 ZINC001307854517 1049636105 /nfs/dbraw/zinc/63/61/05/1049636105.db2.gz HRRVNHPPMNNPCN-UHFFFAOYSA-N 1 3 394.401 3.750 20 0 GHADHO CC1([NH+]2CCCCC2)CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001308056453 1049804302 /nfs/dbraw/zinc/80/43/02/1049804302.db2.gz MVWBJXOENSQLJX-QHCPKHFHSA-N 1 3 385.596 3.618 20 0 GHADHO c1ccc(Oc2cccc(CN3CCC(OCC[NH+]4CCCC4)CC3)c2)nc1 ZINC001308596514 1050025259 /nfs/dbraw/zinc/02/52/59/1050025259.db2.gz SZXRQIIODSWSJE-UHFFFAOYSA-N 1 3 381.520 3.951 20 0 GHADHO C[C@H](N[C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001308682413 1050058423 /nfs/dbraw/zinc/05/84/23/1050058423.db2.gz UFPMIHAXCKIFEW-TYPHKJRUSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@H](N[C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001308682413 1050058428 /nfs/dbraw/zinc/05/84/28/1050058428.db2.gz UFPMIHAXCKIFEW-TYPHKJRUSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@H]([NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001308682413 1050058433 /nfs/dbraw/zinc/05/84/33/1050058433.db2.gz UFPMIHAXCKIFEW-TYPHKJRUSA-N 1 3 385.552 3.640 20 0 GHADHO Cc1ccccc1OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001329139842 1050730354 /nfs/dbraw/zinc/73/03/54/1050730354.db2.gz BCHDAXBVGRTDAA-NHYNNZIHSA-N 1 3 394.559 3.910 20 0 GHADHO Cc1ccccc1OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001329139842 1050730365 /nfs/dbraw/zinc/73/03/65/1050730365.db2.gz BCHDAXBVGRTDAA-NHYNNZIHSA-N 1 3 394.559 3.910 20 0 GHADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001330565990 1051029489 /nfs/dbraw/zinc/02/94/89/1051029489.db2.gz NGZRFTJSZOMIHD-KBRMVUAJSA-N 1 3 398.595 3.744 20 0 GHADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001330565990 1051029500 /nfs/dbraw/zinc/02/95/00/1051029500.db2.gz NGZRFTJSZOMIHD-KBRMVUAJSA-N 1 3 398.595 3.744 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccsc1 ZINC001311393478 1052083818 /nfs/dbraw/zinc/08/38/18/1052083818.db2.gz DVLPDVPGSPVPIP-MSOLQXFVSA-N 1 3 382.618 3.797 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001311711579 1052348358 /nfs/dbraw/zinc/34/83/58/1052348358.db2.gz CRKAEKRSIJPRLX-UZKOGDIHSA-N 1 3 384.568 3.528 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001311711579 1052348366 /nfs/dbraw/zinc/34/83/66/1052348366.db2.gz CRKAEKRSIJPRLX-UZKOGDIHSA-N 1 3 384.568 3.528 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001311711576 1052348606 /nfs/dbraw/zinc/34/86/06/1052348606.db2.gz CRKAEKRSIJPRLX-CBQOVEMMSA-N 1 3 384.568 3.528 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001311711576 1052348611 /nfs/dbraw/zinc/34/86/11/1052348611.db2.gz CRKAEKRSIJPRLX-CBQOVEMMSA-N 1 3 384.568 3.528 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](CCc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001323425631 1056967999 /nfs/dbraw/zinc/96/79/99/1056967999.db2.gz XTRBFVCRXDCAGJ-UHFFFAOYSA-N 1 3 399.501 3.618 20 0 GHADHO FC(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001324703800 1057207374 /nfs/dbraw/zinc/20/73/74/1057207374.db2.gz BPLMSETVHSBXPF-HLAWJBBLSA-N 1 3 377.523 3.606 20 0 GHADHO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(CN(C)C)cc2F)cc1 ZINC001326040167 1057400974 /nfs/dbraw/zinc/40/09/74/1057400974.db2.gz PWUMTUUINWLSMT-UHFFFAOYSA-N 1 3 387.499 3.860 20 0 GHADHO C[C@H](NC(=O)CN1CCCC2(CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001326584253 1057516515 /nfs/dbraw/zinc/51/65/15/1057516515.db2.gz SSWYGMZPGYMUES-AWEZNQCLSA-N 1 3 384.351 3.636 20 0 GHADHO CCc1ccc(NC(=[NH2+])NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000849058721 1057570228 /nfs/dbraw/zinc/57/02/28/1057570228.db2.gz PFFCKVHPYVTFPZ-QFIPXVFZSA-N 1 3 379.552 3.564 20 0 GHADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000849088281 1057589155 /nfs/dbraw/zinc/58/91/55/1057589155.db2.gz CBVZLVRYECLBNM-ZWKOTPCHSA-N 1 3 397.592 3.514 20 0 GHADHO Cc1cccc(O[C@H](C)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849093426 1057591622 /nfs/dbraw/zinc/59/16/22/1057591622.db2.gz PVOKBAFJZVOKAX-LJQANCHMSA-N 1 3 380.536 3.541 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc3c(s2)CNCC3)CC1 ZINC001340536726 1059967932 /nfs/dbraw/zinc/96/79/32/1059967932.db2.gz KFSGXDGHMVRWHE-MRXNPFEDSA-N 1 3 375.582 3.511 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc3c(s2)CNCC3)CC1 ZINC001340536726 1059967939 /nfs/dbraw/zinc/96/79/39/1059967939.db2.gz KFSGXDGHMVRWHE-MRXNPFEDSA-N 1 3 375.582 3.511 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006309 1061974667 /nfs/dbraw/zinc/97/46/67/1061974667.db2.gz BPPKELJVWWKZRS-ZEQRLZLVSA-N 1 3 391.559 3.598 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006309 1061974671 /nfs/dbraw/zinc/97/46/71/1061974671.db2.gz BPPKELJVWWKZRS-ZEQRLZLVSA-N 1 3 391.559 3.598 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001465916576 1065920921 /nfs/dbraw/zinc/92/09/21/1065920921.db2.gz YMJIUQSOGJWGEL-LAUBAEHRSA-N 1 3 376.504 3.684 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001465916576 1065920925 /nfs/dbraw/zinc/92/09/25/1065920925.db2.gz YMJIUQSOGJWGEL-LAUBAEHRSA-N 1 3 376.504 3.684 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001465916577 1065921246 /nfs/dbraw/zinc/92/12/46/1065921246.db2.gz YMJIUQSOGJWGEL-UTKZUKDTSA-N 1 3 376.504 3.684 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001465916577 1065921251 /nfs/dbraw/zinc/92/12/51/1065921251.db2.gz YMJIUQSOGJWGEL-UTKZUKDTSA-N 1 3 376.504 3.684 20 0 GHADHO C[C@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC001357403481 1067085430 /nfs/dbraw/zinc/08/54/30/1067085430.db2.gz DIQLOYQMKKAXPE-QFBILLFUSA-N 1 3 383.561 3.519 20 0 GHADHO C[C@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CNCC3)CC[N@H+]1Cc1ccccc1 ZINC001357403481 1067085444 /nfs/dbraw/zinc/08/54/44/1067085444.db2.gz DIQLOYQMKKAXPE-QFBILLFUSA-N 1 3 383.561 3.519 20 0 GHADHO C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC001467297825 1067207878 /nfs/dbraw/zinc/20/78/78/1067207878.db2.gz BBSOSMPSFLXUDQ-ZTCOLXNVSA-N 1 3 393.575 3.749 20 0 GHADHO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC001467297825 1067207890 /nfs/dbraw/zinc/20/78/90/1067207890.db2.gz BBSOSMPSFLXUDQ-ZTCOLXNVSA-N 1 3 393.575 3.749 20 0 GHADHO CCC(CC)[C@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)[NH+]1CCCC1 ZINC001467943754 1067540531 /nfs/dbraw/zinc/54/05/31/1067540531.db2.gz SEUBMUFGORKROT-VXKWHMMOSA-N 1 3 388.600 3.798 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)CC(C)C ZINC001467951157 1067542455 /nfs/dbraw/zinc/54/24/55/1067542455.db2.gz VMTCZLXOTMSQNJ-ILWGZMRPSA-N 1 3 388.600 3.563 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001468115430 1067600692 /nfs/dbraw/zinc/60/06/92/1067600692.db2.gz VVEDDPCGLOFFRX-UNMCSNQZSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001468115430 1067600693 /nfs/dbraw/zinc/60/06/93/1067600693.db2.gz VVEDDPCGLOFFRX-UNMCSNQZSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC001468265854 1067659369 /nfs/dbraw/zinc/65/93/69/1067659369.db2.gz HIEGPIOYACBQFV-HDAAZOAOSA-N 1 3 388.600 3.734 20 0 GHADHO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC001468265854 1067659371 /nfs/dbraw/zinc/65/93/71/1067659371.db2.gz HIEGPIOYACBQFV-HDAAZOAOSA-N 1 3 388.600 3.734 20 0 GHADHO [NH2+]=C(NC[C@@H](c1ccccc1)C1CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849103092 1067729258 /nfs/dbraw/zinc/72/92/58/1067729258.db2.gz GXJVUEXDMYLIKA-QHCPKHFHSA-N 1 3 376.548 3.959 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001468872858 1067914655 /nfs/dbraw/zinc/91/46/55/1067914655.db2.gz KBNLXNXDDJBMIS-BDTNDASRSA-N 1 3 384.568 3.530 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001468872858 1067914657 /nfs/dbraw/zinc/91/46/57/1067914657.db2.gz KBNLXNXDDJBMIS-BDTNDASRSA-N 1 3 384.568 3.530 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001468947553 1067935542 /nfs/dbraw/zinc/93/55/42/1067935542.db2.gz PYKRHOICTPGNCB-MOPGFXCFSA-N 1 3 380.964 3.506 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001468947553 1067935543 /nfs/dbraw/zinc/93/55/43/1067935543.db2.gz PYKRHOICTPGNCB-MOPGFXCFSA-N 1 3 380.964 3.506 20 0 GHADHO C[N@H+](CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CCCCC1 ZINC001477926227 1078630932 /nfs/dbraw/zinc/63/09/32/1078630932.db2.gz FELTVXMRHKQQJM-JOCHJYFZSA-N 1 3 386.584 3.777 20 0 GHADHO C[N@@H+](CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CCCCC1 ZINC001477926227 1078630937 /nfs/dbraw/zinc/63/09/37/1078630937.db2.gz FELTVXMRHKQQJM-JOCHJYFZSA-N 1 3 386.584 3.777 20 0 GHADHO C[NH+](C)CCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CCCC1 ZINC001477925901 1078630998 /nfs/dbraw/zinc/63/09/98/1078630998.db2.gz CGJYFPDBPOSOAP-QFIPXVFZSA-N 1 3 386.584 3.729 20 0 GHADHO Cc1cccc(CN2CC[C@@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC001470713240 1072699607 /nfs/dbraw/zinc/69/96/07/1072699607.db2.gz MHTVROAINSRKOK-HSZRJFAPSA-N 1 3 377.532 3.595 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H](CC1CCC1)c1ccccc1)c1ccccc1 ZINC001473334829 1073925204 /nfs/dbraw/zinc/92/52/04/1073925204.db2.gz UDKCTLUNEZFKQI-GOTSBHOMSA-N 1 3 379.548 3.927 20 0 GHADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)cc1 ZINC001473705023 1074098083 /nfs/dbraw/zinc/09/80/83/1074098083.db2.gz YRVRMIKLSKLPPQ-JOCHJYFZSA-N 1 3 399.579 3.557 20 0 GHADHO COc1cccc(-c2csc(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)n2)c1 ZINC001474015825 1074235867 /nfs/dbraw/zinc/23/58/67/1074235867.db2.gz GNFGUQSUQAGKJF-IAGOWNOFSA-N 1 3 389.565 3.798 20 0 GHADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1Oc1cccnc1 ZINC001474068064 1074253332 /nfs/dbraw/zinc/25/33/32/1074253332.db2.gz OBZPSFITNQQCOB-FCHUYYIVSA-N 1 3 381.520 3.650 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001474421157 1074398464 /nfs/dbraw/zinc/39/84/64/1074398464.db2.gz GZQDJWZDRCNUIC-UTZODRGISA-N 1 3 376.516 3.669 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+]CCc2c[nH]c3c2cccc3Cl)CC1 ZINC001474655414 1074501930 /nfs/dbraw/zinc/50/19/30/1074501930.db2.gz XCVGXHLYADLBIO-UHFFFAOYSA-N 1 3 375.944 3.987 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC001474713885 1074530318 /nfs/dbraw/zinc/53/03/18/1074530318.db2.gz LUCJZHNRVCMEMM-HNBVOPMISA-N 1 3 379.589 3.875 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC001474713887 1074530715 /nfs/dbraw/zinc/53/07/15/1074530715.db2.gz LUCJZHNRVCMEMM-KVPLUYHFSA-N 1 3 379.589 3.875 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[NH+]1CCCCCC1 ZINC001495288229 1079398105 /nfs/dbraw/zinc/39/81/05/1079398105.db2.gz WXTIHKYGXHKYBM-SLFFLAALSA-N 1 3 390.620 3.587 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585795 607808403 /nfs/dbraw/zinc/80/84/03/607808403.db2.gz UDFWTKKLXJVOCQ-WSTZPKSXSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585795 607808404 /nfs/dbraw/zinc/80/84/04/607808404.db2.gz UDFWTKKLXJVOCQ-WSTZPKSXSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585795 607808405 /nfs/dbraw/zinc/80/84/05/607808405.db2.gz UDFWTKKLXJVOCQ-WSTZPKSXSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585795 607808406 /nfs/dbraw/zinc/80/84/06/607808406.db2.gz UDFWTKKLXJVOCQ-WSTZPKSXSA-N 1 3 390.535 3.818 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275592473 837680225 /nfs/dbraw/zinc/68/02/25/837680225.db2.gz FSKMHKVFMMJXKW-HXUWFJFHSA-N 1 3 394.563 3.919 20 0 GHADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(C(F)(F)F)c1 ZINC000683087460 834437636 /nfs/dbraw/zinc/43/76/36/834437636.db2.gz DILNLTBWURARJR-UHFFFAOYSA-N 1 3 398.473 3.694 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4nn(C(C)C)cc4c3)CC2)CC1 ZINC000654803607 834579457 /nfs/dbraw/zinc/57/94/57/834579457.db2.gz CBSBYYSBRMQIDX-UHFFFAOYSA-N 1 3 397.567 3.752 20 0 GHADHO Cc1ccccc1C1(Cc2nc(-c3ccc(CN(C)C)cc3)no2)CC[NH2+]CC1 ZINC001211619444 834584915 /nfs/dbraw/zinc/58/49/15/834584915.db2.gz NMBJZMBNIPDIRQ-UHFFFAOYSA-N 1 3 390.531 3.971 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OCCC(C)C ZINC000650723373 834702798 /nfs/dbraw/zinc/70/27/98/834702798.db2.gz MUWAMHWYFARQPM-VWPQPMDRSA-N 1 3 390.568 3.981 20 0 GHADHO CCN(Cc1ccc(-n2cncn2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818817 834706132 /nfs/dbraw/zinc/70/61/32/834706132.db2.gz QUAQVATWTDXUCS-JOCHJYFZSA-N 1 3 375.520 3.611 20 0 GHADHO CCN(Cc1ccc(-n2cncn2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818817 834706135 /nfs/dbraw/zinc/70/61/35/834706135.db2.gz QUAQVATWTDXUCS-JOCHJYFZSA-N 1 3 375.520 3.611 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1)C1CC1 ZINC000511280006 834962268 /nfs/dbraw/zinc/96/22/68/834962268.db2.gz FJJYBDKQFOUKNA-UHFFFAOYSA-N 1 3 391.559 3.849 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1)C1CC1 ZINC000511280006 834962278 /nfs/dbraw/zinc/96/22/78/834962278.db2.gz FJJYBDKQFOUKNA-UHFFFAOYSA-N 1 3 391.559 3.849 20 0 GHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000650756484 835054658 /nfs/dbraw/zinc/05/46/58/835054658.db2.gz BTECPQTUXLSDPU-VXKWHMMOSA-N 1 3 386.561 3.589 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000433353214 844038529 /nfs/dbraw/zinc/03/85/29/844038529.db2.gz KYCUNANUYMKFSP-UHFFFAOYSA-N 1 3 379.548 3.529 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000433353214 844038537 /nfs/dbraw/zinc/03/85/37/844038537.db2.gz KYCUNANUYMKFSP-UHFFFAOYSA-N 1 3 379.548 3.529 20 0 GHADHO COC[C@]1(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)OCCc2ccccc21 ZINC000685655556 835269547 /nfs/dbraw/zinc/26/95/47/835269547.db2.gz JXYIFBWGLQDARM-YNJKOYDBSA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)OCCc2ccccc21 ZINC000685655556 835269557 /nfs/dbraw/zinc/26/95/57/835269557.db2.gz JXYIFBWGLQDARM-YNJKOYDBSA-N 1 3 394.559 3.601 20 0 GHADHO COc1cc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1SC ZINC000658135640 835444025 /nfs/dbraw/zinc/44/40/25/835444025.db2.gz AEPRCMNDUZUGMN-JXFKEZNVSA-N 1 3 386.561 3.835 20 0 GHADHO COc1cc([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1SC ZINC000658135640 835444028 /nfs/dbraw/zinc/44/40/28/835444028.db2.gz AEPRCMNDUZUGMN-JXFKEZNVSA-N 1 3 386.561 3.835 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(OCC)c(OC)c2)CC1 ZINC000151513266 835478869 /nfs/dbraw/zinc/47/88/69/835478869.db2.gz NGGSBNACTCEEMX-UHFFFAOYSA-N 1 3 397.563 3.916 20 0 GHADHO COc1cc(C)c([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1OC ZINC000658167957 835482218 /nfs/dbraw/zinc/48/22/18/835482218.db2.gz UYDABHOQYHIRNW-GOSISDBHSA-N 1 3 383.536 3.970 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000584047270 835502958 /nfs/dbraw/zinc/50/29/58/835502958.db2.gz CUVAHGPHMMMNJI-JTQLQIEISA-N 1 3 387.837 3.679 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cc2ccncc2s1 ZINC000657841180 835915876 /nfs/dbraw/zinc/91/58/76/835915876.db2.gz ACGXXSYMEGXNFF-QGZVFWFLSA-N 1 3 380.561 3.895 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC000655445704 835919463 /nfs/dbraw/zinc/91/94/63/835919463.db2.gz JHKNFMAHXAZDBW-GGPKGHCWSA-N 1 3 397.485 3.594 20 0 GHADHO CC(C)CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC000431651437 836139196 /nfs/dbraw/zinc/13/91/96/836139196.db2.gz JOQLKEHIEQRDEH-UHFFFAOYSA-N 1 3 388.600 3.518 20 0 GHADHO CC[NH+]1CCC(NC[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000581997880 844138227 /nfs/dbraw/zinc/13/82/27/844138227.db2.gz HIJDKZVZQSGHIA-BJKOFHAPSA-N 1 3 382.548 3.536 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000414293509 836940875 /nfs/dbraw/zinc/94/08/75/836940875.db2.gz BKRIMEREMFMJEP-LJQANCHMSA-N 1 3 396.531 3.526 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000414294964 836948333 /nfs/dbraw/zinc/94/83/33/836948333.db2.gz CQTGWIVIISGPTP-HXUWFJFHSA-N 1 3 390.531 3.550 20 0 GHADHO CC1CC[NH+](CCCCN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC1 ZINC000511397875 836986246 /nfs/dbraw/zinc/98/62/46/836986246.db2.gz MTHCPAJZKBGKDZ-YADHBBJMSA-N 1 3 394.003 3.813 20 0 GHADHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(OC)c(OC)c1 ZINC000414309987 837034105 /nfs/dbraw/zinc/03/41/05/837034105.db2.gz SLTYSIYCUFCIBW-NRFANRHFSA-N 1 3 398.547 3.772 20 0 GHADHO Cc1cnn(CCCCC[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177504040 837985686 /nfs/dbraw/zinc/98/56/86/837985686.db2.gz MBHWOHPQFMCABT-OYRHEFFESA-N 1 3 376.589 3.573 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000659245990 838000835 /nfs/dbraw/zinc/00/08/35/838000835.db2.gz FFPPQCKBWPYFBF-YHYVQYDKSA-N 1 3 377.532 3.631 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C(C)(C)C)C[C@H]3C)CC2)CC1 ZINC000579976665 838239813 /nfs/dbraw/zinc/23/98/13/838239813.db2.gz NPLBCAAJPOPPEQ-UYAOXDASSA-N 1 3 377.617 3.856 20 0 GHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(-c2cnn(C)c2)c1 ZINC000549802067 844307182 /nfs/dbraw/zinc/30/71/82/844307182.db2.gz HXGILNYRKGZTTQ-WOJBJXKFSA-N 1 3 396.579 3.717 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000415913026 838270345 /nfs/dbraw/zinc/27/03/45/838270345.db2.gz OHWOQXQCRGNXLU-QGZVFWFLSA-N 1 3 381.524 3.538 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000415942759 838296173 /nfs/dbraw/zinc/29/61/73/838296173.db2.gz KFUAPEWOEKORAV-JOCHJYFZSA-N 1 3 396.535 3.763 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1)C(C)C ZINC000110164973 844312202 /nfs/dbraw/zinc/31/22/02/844312202.db2.gz YJASKHQPIBZMHB-HSZRJFAPSA-N 1 3 381.564 3.820 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1)C(C)C ZINC000110164973 844312213 /nfs/dbraw/zinc/31/22/13/844312213.db2.gz YJASKHQPIBZMHB-HSZRJFAPSA-N 1 3 381.564 3.820 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000415964551 838325675 /nfs/dbraw/zinc/32/56/75/838325675.db2.gz ZYFCOGSCMOQQSY-KRWDZBQOSA-N 1 3 381.524 3.538 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)c(C)c2)CC1 ZINC000416125215 838591175 /nfs/dbraw/zinc/59/11/75/838591175.db2.gz PFHRLMYXAGIRTG-HSZRJFAPSA-N 1 3 394.563 3.768 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000312141160 838918380 /nfs/dbraw/zinc/91/83/80/838918380.db2.gz FKJASUFWCUNMCW-WCIQWLHISA-N 1 3 379.589 3.875 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)N(CCOCC[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)C1 ZINC000580425054 839545881 /nfs/dbraw/zinc/54/58/81/839545881.db2.gz DSQPYJVOVGOHQZ-DVJXIFHOSA-N 1 3 394.563 3.959 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)N(CCOCC[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)C1 ZINC000580425054 839545891 /nfs/dbraw/zinc/54/58/91/839545891.db2.gz DSQPYJVOVGOHQZ-DVJXIFHOSA-N 1 3 394.563 3.959 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCOCCN2C[C@H](C)C[C@H]2c2cccnc2)C1 ZINC000580425054 839545893 /nfs/dbraw/zinc/54/58/93/839545893.db2.gz DSQPYJVOVGOHQZ-DVJXIFHOSA-N 1 3 394.563 3.959 20 0 GHADHO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCOCCN2C[C@H](C)C[C@H]2c2cccnc2)C1 ZINC000580425054 839545901 /nfs/dbraw/zinc/54/59/01/839545901.db2.gz DSQPYJVOVGOHQZ-DVJXIFHOSA-N 1 3 394.563 3.959 20 0 GHADHO c1cn(Cc2ccccc2CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000580499316 839694538 /nfs/dbraw/zinc/69/45/38/839694538.db2.gz WMCIQKJZFVSQBG-GVAUOCQISA-N 1 3 386.543 3.932 20 0 GHADHO c1cn(Cc2ccccc2CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000580499316 839694542 /nfs/dbraw/zinc/69/45/42/839694542.db2.gz WMCIQKJZFVSQBG-GVAUOCQISA-N 1 3 386.543 3.932 20 0 GHADHO CCc1cccc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000580641265 839947243 /nfs/dbraw/zinc/94/72/43/839947243.db2.gz MQGDIKDSZDUUDU-WOIUINJBSA-N 1 3 388.577 3.723 20 0 GHADHO CCc1cccc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000580641265 839947250 /nfs/dbraw/zinc/94/72/50/839947250.db2.gz MQGDIKDSZDUUDU-WOIUINJBSA-N 1 3 388.577 3.723 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000580670276 839986258 /nfs/dbraw/zinc/98/62/58/839986258.db2.gz VZTJZXHEMUZEJQ-OAQYLSRUSA-N 1 3 388.600 3.580 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000580670276 839986263 /nfs/dbraw/zinc/98/62/63/839986263.db2.gz VZTJZXHEMUZEJQ-OAQYLSRUSA-N 1 3 388.600 3.580 20 0 GHADHO [NH3+]CCC[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000416784197 840156405 /nfs/dbraw/zinc/15/64/05/840156405.db2.gz IUSMREQTCJXXFQ-YADHBBJMSA-N 1 3 380.536 3.603 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000418480362 840297217 /nfs/dbraw/zinc/29/72/17/840297217.db2.gz CGHLEHNXHIHNTO-GCJKJVERSA-N 1 3 380.536 3.512 20 0 GHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000500410055 840404540 /nfs/dbraw/zinc/40/45/40/840404540.db2.gz OHJBYONTADUAEU-NZQKXSOJSA-N 1 3 399.579 3.603 20 0 GHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000500410055 840404548 /nfs/dbraw/zinc/40/45/48/840404548.db2.gz OHJBYONTADUAEU-NZQKXSOJSA-N 1 3 399.579 3.603 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H]3CN(CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000580920891 840434204 /nfs/dbraw/zinc/43/42/04/840434204.db2.gz RISKWBISRZPTRH-YADHBBJMSA-N 1 3 388.515 3.733 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000580920891 840434214 /nfs/dbraw/zinc/43/42/14/840434214.db2.gz RISKWBISRZPTRH-YADHBBJMSA-N 1 3 388.515 3.733 20 0 GHADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652978 841060863 /nfs/dbraw/zinc/06/08/63/841060863.db2.gz NQYSBWLBFYDFGJ-YKSBVNFPSA-N 1 3 396.531 3.636 20 0 GHADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652978 841060876 /nfs/dbraw/zinc/06/08/76/841060876.db2.gz NQYSBWLBFYDFGJ-YKSBVNFPSA-N 1 3 396.531 3.636 20 0 GHADHO CSc1ccccc1NC(=O)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660677192 841090465 /nfs/dbraw/zinc/09/04/65/841090465.db2.gz XICPXIDXKWXJTR-UHFFFAOYSA-N 1 3 383.561 3.991 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(N)CCCC1 ZINC000656788935 841929335 /nfs/dbraw/zinc/92/93/35/841929335.db2.gz GOHGLZBSUZPGTP-NSHDSACASA-N 1 3 377.838 3.937 20 0 GHADHO C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000303534033 842009690 /nfs/dbraw/zinc/00/96/90/842009690.db2.gz SHPKNQNNMDVERD-IBGZPJMESA-N 1 3 385.596 3.709 20 0 GHADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000432403782 842382683 /nfs/dbraw/zinc/38/26/83/842382683.db2.gz BYNYEYXRPHZPKP-GJZGRUSLSA-N 1 3 385.346 3.609 20 0 GHADHO COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000432403782 842382696 /nfs/dbraw/zinc/38/26/96/842382696.db2.gz BYNYEYXRPHZPKP-GJZGRUSLSA-N 1 3 385.346 3.609 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cc(C)nn2-c2ccccc2)CC1 ZINC001167841842 842423325 /nfs/dbraw/zinc/42/33/25/842423325.db2.gz SGDSTUPMRNHQAR-OAQYLSRUSA-N 1 3 383.584 3.813 20 0 GHADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000471851069 842845215 /nfs/dbraw/zinc/84/52/15/842845215.db2.gz OTFRRIWPIYWJMI-UGKGYDQZSA-N 1 3 383.511 3.826 20 0 GHADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000471851069 842845217 /nfs/dbraw/zinc/84/52/17/842845217.db2.gz OTFRRIWPIYWJMI-UGKGYDQZSA-N 1 3 383.511 3.826 20 0 GHADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCC(=O)Nc1ccccc1F ZINC000471851069 842845223 /nfs/dbraw/zinc/84/52/23/842845223.db2.gz OTFRRIWPIYWJMI-UGKGYDQZSA-N 1 3 383.511 3.826 20 0 GHADHO CN1CCC(N(Cc2ccco2)C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000161607135 843116349 /nfs/dbraw/zinc/11/63/49/843116349.db2.gz CFJQQSQDEFHSGD-UHFFFAOYSA-N 1 3 390.572 3.542 20 0 GHADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc21 ZINC000662347166 843153644 /nfs/dbraw/zinc/15/36/44/843153644.db2.gz CVCCOTOIPNAWNY-GGAORHGYSA-N 1 3 377.532 3.632 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc3c2CNC3)C1 ZINC000662388402 843183994 /nfs/dbraw/zinc/18/39/94/843183994.db2.gz OAYDBXVYPJIGCF-QZTJIDSGSA-N 1 3 377.532 3.698 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cccc3c2CNC3)C1 ZINC000662388399 843184159 /nfs/dbraw/zinc/18/41/59/843184159.db2.gz OAYDBXVYPJIGCF-HDICACEKSA-N 1 3 377.532 3.698 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cccc3c2CNC3)C1 ZINC000662388399 843184165 /nfs/dbraw/zinc/18/41/65/843184165.db2.gz OAYDBXVYPJIGCF-HDICACEKSA-N 1 3 377.532 3.698 20 0 GHADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000467738206 843199082 /nfs/dbraw/zinc/19/90/82/843199082.db2.gz SLZNYZRNNKIOOT-ZDUSSCGKSA-N 1 3 387.471 3.996 20 0 GHADHO c1cc(CN(CCOCCOc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000432658101 843358192 /nfs/dbraw/zinc/35/81/92/843358192.db2.gz PDBDPRNNPWCYDH-OAQYLSRUSA-N 1 3 386.561 3.788 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000165312544 843363069 /nfs/dbraw/zinc/36/30/69/843363069.db2.gz LTDKXZOINONAHN-TZIWHRDSSA-N 1 3 393.531 3.858 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCCF)cc1 ZINC000510733016 843372977 /nfs/dbraw/zinc/37/29/77/843372977.db2.gz JOPCRWAIUNGWNU-PZJWPPBQSA-N 1 3 375.532 3.520 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418657838 843506891 /nfs/dbraw/zinc/50/68/91/843506891.db2.gz INUAABJWYUPWCT-REWPJTCUSA-N 1 3 394.563 3.773 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000418664614 843518201 /nfs/dbraw/zinc/51/82/01/843518201.db2.gz DEGPSAACCLGIGJ-QFIPXVFZSA-N 1 3 382.552 3.548 20 0 GHADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000673705875 861430111 /nfs/dbraw/zinc/43/01/11/861430111.db2.gz CXBFILCWXHIUTD-GGAORHGYSA-N 1 3 398.595 3.587 20 0 GHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000673705875 861430115 /nfs/dbraw/zinc/43/01/15/861430115.db2.gz CXBFILCWXHIUTD-GGAORHGYSA-N 1 3 398.595 3.587 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469191 843667246 /nfs/dbraw/zinc/66/72/46/843667246.db2.gz OXYMHBJKCQZYDJ-IEBWSBKVSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469191 843667252 /nfs/dbraw/zinc/66/72/52/843667252.db2.gz OXYMHBJKCQZYDJ-IEBWSBKVSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469191 843667263 /nfs/dbraw/zinc/66/72/63/843667263.db2.gz OXYMHBJKCQZYDJ-IEBWSBKVSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CCCc1ccccc1 ZINC000052802881 844833232 /nfs/dbraw/zinc/83/32/32/844833232.db2.gz KDHONFCXHKIXNK-OAQYLSRUSA-N 1 3 393.575 3.720 20 0 GHADHO Cc1ccc(CNC(=O)[C@@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179396978 861563267 /nfs/dbraw/zinc/56/32/67/861563267.db2.gz HUFXIDUNWKBRLX-HXUWFJFHSA-N 1 3 394.563 3.633 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(C/C(C)=C/c3ccccc3COC)CC2)CC1 ZINC000421373385 846184087 /nfs/dbraw/zinc/18/40/87/846184087.db2.gz MKFYMFDPNPQEDR-DYTRJAOYSA-N 1 3 385.596 3.728 20 0 GHADHO CCN1CCC([N@H+]2CCCN(C/C(C)=C/c3ccccc3COC)CC2)CC1 ZINC000421373385 846184089 /nfs/dbraw/zinc/18/40/89/846184089.db2.gz MKFYMFDPNPQEDR-DYTRJAOYSA-N 1 3 385.596 3.728 20 0 GHADHO CCCOc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1OC ZINC000414554804 846609724 /nfs/dbraw/zinc/60/97/24/846609724.db2.gz WDMAIVFDQOGHJE-UHFFFAOYSA-N 1 3 398.547 3.601 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000501161803 846692980 /nfs/dbraw/zinc/69/29/80/846692980.db2.gz GNWFBKFCHUZPCY-VQTJNVASSA-N 1 3 388.581 3.733 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccsc1 ZINC000501162382 846693898 /nfs/dbraw/zinc/69/38/98/846693898.db2.gz JOVFADVMPLOTNZ-LJQANCHMSA-N 1 3 380.602 3.552 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000503130749 846834172 /nfs/dbraw/zinc/83/41/72/846834172.db2.gz JCZJFRIZWMTQDK-KNQAVFIVSA-N 1 3 396.579 3.588 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)N(C)C)cc1 ZINC000604083535 861738712 /nfs/dbraw/zinc/73/87/12/861738712.db2.gz OUJCXFCZONGAKQ-GOTSBHOMSA-N 1 3 394.563 3.562 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)N(C)C)cc1 ZINC000604083535 861738724 /nfs/dbraw/zinc/73/87/24/861738724.db2.gz OUJCXFCZONGAKQ-GOTSBHOMSA-N 1 3 394.563 3.562 20 0 GHADHO C[C@H]1C[C@H](CCNCc2cc(C(F)(F)F)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000657415240 847083056 /nfs/dbraw/zinc/08/30/56/847083056.db2.gz GVKOURCEMPRGQG-RDJZCZTQSA-N 1 3 380.458 3.829 20 0 GHADHO C[C@H]1C[C@H](CCNCc2cc(C(F)(F)F)nn2C)C[N@H+]1Cc1ccccc1 ZINC000657415240 847083062 /nfs/dbraw/zinc/08/30/62/847083062.db2.gz GVKOURCEMPRGQG-RDJZCZTQSA-N 1 3 380.458 3.829 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2cc(C(F)(F)F)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000657415241 847083265 /nfs/dbraw/zinc/08/32/65/847083265.db2.gz GVKOURCEMPRGQG-WBVHZDCISA-N 1 3 380.458 3.829 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2cc(C(F)(F)F)nn2C)C[N@H+]1Cc1ccccc1 ZINC000657415241 847083274 /nfs/dbraw/zinc/08/32/74/847083274.db2.gz GVKOURCEMPRGQG-WBVHZDCISA-N 1 3 380.458 3.829 20 0 GHADHO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC(CCC[NH+](C)C)CC1 ZINC000501773194 847166477 /nfs/dbraw/zinc/16/64/77/847166477.db2.gz GYTYIBONHPPPPQ-MRXNPFEDSA-N 1 3 397.966 3.880 20 0 GHADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)NC(c1ccccc1)c1ccccc1 ZINC000420407884 847170961 /nfs/dbraw/zinc/17/09/61/847170961.db2.gz VSQSACWPLSPGFY-GOTSBHOMSA-N 1 3 391.559 3.746 20 0 GHADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733408 847788410 /nfs/dbraw/zinc/78/84/10/847788410.db2.gz QXYUMTUJSZMFAT-ORYQWCPZSA-N 1 3 391.481 3.828 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733408 847788419 /nfs/dbraw/zinc/78/84/19/847788419.db2.gz QXYUMTUJSZMFAT-ORYQWCPZSA-N 1 3 391.481 3.828 20 0 GHADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(C(F)(F)F)c1 ZINC000422840051 847849466 /nfs/dbraw/zinc/84/94/66/847849466.db2.gz SBLVNUYAOBOHIQ-OQIJWPOYSA-N 1 3 386.458 3.610 20 0 GHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422881713 847867398 /nfs/dbraw/zinc/86/73/98/847867398.db2.gz OAMPVCQJTPFIFW-XXBNENTESA-N 1 3 395.547 3.962 20 0 GHADHO Cc1ccc([C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)o1 ZINC000422875044 847877162 /nfs/dbraw/zinc/87/71/62/847877162.db2.gz BKPAXEXDTPDRTM-JTAQYXEDSA-N 1 3 381.520 3.570 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422899622 847878900 /nfs/dbraw/zinc/87/89/00/847878900.db2.gz HXILHECNICELJH-TXCZRRACSA-N 1 3 387.351 3.634 20 0 GHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894510 847889246 /nfs/dbraw/zinc/88/92/46/847889246.db2.gz UALZJAPGLIQZKN-LPHOPBHVSA-N 1 3 380.374 3.521 20 0 GHADHO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@@H]1CCCCN1 ZINC000423187410 849795115 /nfs/dbraw/zinc/79/51/15/849795115.db2.gz PHDYOZHDKBINTO-KXBFYZLASA-N 1 3 380.374 3.534 20 0 GHADHO C[C@H](NC1CCN(Cc2cccc(Br)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423187410 849795118 /nfs/dbraw/zinc/79/51/18/849795118.db2.gz PHDYOZHDKBINTO-KXBFYZLASA-N 1 3 380.374 3.534 20 0 GHADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749971 849972610 /nfs/dbraw/zinc/97/26/10/849972610.db2.gz QHJBIQYIOURINU-GJZGRUSLSA-N 1 3 386.367 3.964 20 0 GHADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749971 849972617 /nfs/dbraw/zinc/97/26/17/849972617.db2.gz QHJBIQYIOURINU-GJZGRUSLSA-N 1 3 386.367 3.964 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000600473385 862086335 /nfs/dbraw/zinc/08/63/35/862086335.db2.gz DWCQBHCAMPLXPG-NRFANRHFSA-N 1 3 389.559 3.810 20 0 GHADHO C[C@H]1CC2(CN1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424294399 850338585 /nfs/dbraw/zinc/33/85/85/850338585.db2.gz QCLHCKKIJOJYPC-REWPJTCUSA-N 1 3 391.559 3.551 20 0 GHADHO C[C@H]1CC2(CN1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)CC[NH2+]CC2 ZINC000424301627 850341307 /nfs/dbraw/zinc/34/13/07/850341307.db2.gz XWNGRXAEIWKGRY-JTSKRJEESA-N 1 3 387.543 3.637 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000514838347 850349049 /nfs/dbraw/zinc/34/90/49/850349049.db2.gz OOMKZXVEOQEBCJ-QLVMHMETSA-N 1 3 398.513 3.888 20 0 GHADHO COc1ccc(C(=O)Nc2cccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000435373339 850421115 /nfs/dbraw/zinc/42/11/15/850421115.db2.gz DRPDAUIIYDCFFF-YUXAGFNASA-N 1 3 379.504 3.507 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@@H]3C)CC2)CC1 ZINC000569708656 850486250 /nfs/dbraw/zinc/48/62/50/850486250.db2.gz VNMLSESVQZQVPA-JXALWOEJSA-N 1 3 397.607 3.976 20 0 GHADHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OCc1ccccc1 ZINC000414803355 850583007 /nfs/dbraw/zinc/58/30/07/850583007.db2.gz NRMVZUDWGGYPHF-PMACEKPBSA-N 1 3 384.520 3.890 20 0 GHADHO CC[C@H](Cc1ccccc1C)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000424682575 850614774 /nfs/dbraw/zinc/61/47/74/850614774.db2.gz DSNAPRHRWOHHGX-OAQYLSRUSA-N 1 3 385.596 3.630 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000515301944 850891776 /nfs/dbraw/zinc/89/17/76/850891776.db2.gz VUSFQRYDNGAKSX-CVDCTZTESA-N 1 3 391.559 3.794 20 0 GHADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCN3C3CCCC3)cc2)C1 ZINC000440259922 850974044 /nfs/dbraw/zinc/97/40/44/850974044.db2.gz MJRCPTWWESTYME-GCJKJVERSA-N 1 3 385.552 3.753 20 0 GHADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCN3C3CCCC3)cc2)C1 ZINC000440259922 850974053 /nfs/dbraw/zinc/97/40/53/850974053.db2.gz MJRCPTWWESTYME-GCJKJVERSA-N 1 3 385.552 3.753 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1)CC1CC1 ZINC000434355660 851025641 /nfs/dbraw/zinc/02/56/41/851025641.db2.gz PECVPRYBNCJFCL-QFIPXVFZSA-N 1 3 390.616 3.547 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1)CC1CC1 ZINC000434355660 851025649 /nfs/dbraw/zinc/02/56/49/851025649.db2.gz PECVPRYBNCJFCL-QFIPXVFZSA-N 1 3 390.616 3.547 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000514012008 851117444 /nfs/dbraw/zinc/11/74/44/851117444.db2.gz WJOOFJXIEKDXRP-HSZRJFAPSA-N 1 3 396.579 3.939 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000438095941 852015962 /nfs/dbraw/zinc/01/59/62/852015962.db2.gz IYAANSSYLPITNO-UHFFFAOYSA-N 1 3 376.570 3.709 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000438095941 852015964 /nfs/dbraw/zinc/01/59/64/852015964.db2.gz IYAANSSYLPITNO-UHFFFAOYSA-N 1 3 376.570 3.709 20 0 GHADHO CCOc1c(Br)cc(C[NH2+]C2CCN(C3CCC3)CC2)cc1OC ZINC000517550121 852107000 /nfs/dbraw/zinc/10/70/00/852107000.db2.gz TVZMJMLRRMJJNC-UHFFFAOYSA-N 1 3 397.357 3.963 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000489233956 852151918 /nfs/dbraw/zinc/15/19/18/852151918.db2.gz RDHKAWKIEZOQPJ-AVRDEDQJSA-N 1 3 382.552 3.629 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000489233956 852151922 /nfs/dbraw/zinc/15/19/22/852151922.db2.gz RDHKAWKIEZOQPJ-AVRDEDQJSA-N 1 3 382.552 3.629 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@@H](C(C)C)CC3)CC2)CC1 ZINC000570460386 852363942 /nfs/dbraw/zinc/36/39/42/852363942.db2.gz SVDFUWRKPQHQBF-TZIWHRDSSA-N 1 3 377.617 3.904 20 0 GHADHO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)C1 ZINC001167987764 853317568 /nfs/dbraw/zinc/31/75/68/853317568.db2.gz MYNGIANONMMQIT-YBVXAUJNSA-N 1 3 389.584 3.581 20 0 GHADHO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)C1 ZINC001167987764 853317577 /nfs/dbraw/zinc/31/75/77/853317577.db2.gz MYNGIANONMMQIT-YBVXAUJNSA-N 1 3 389.584 3.581 20 0 GHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000439143902 853339357 /nfs/dbraw/zinc/33/93/57/853339357.db2.gz VITMBNULHLOKBL-ACIOBRDBSA-N 1 3 393.579 3.577 20 0 GHADHO C[C@@H]1CN(CCCOc2ccc(C(C)(C)C)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490956711 853368096 /nfs/dbraw/zinc/36/80/96/853368096.db2.gz AXWLQFCXYPLLKQ-NFBKMPQASA-N 1 3 387.612 3.711 20 0 GHADHO C[C@H]1CN(CCCOc2cccc(C(C)(C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490991168 853392119 /nfs/dbraw/zinc/39/21/19/853392119.db2.gz AFCUNSZEHOVDPP-NZQKXSOJSA-N 1 3 387.612 3.711 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000439191284 853393693 /nfs/dbraw/zinc/39/36/93/853393693.db2.gz MLCXHPHYQROPOD-RTBURBONSA-N 1 3 394.629 3.579 20 0 GHADHO C[C@@H]1CN(CCCOc2ccc3ccccc3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491000903 853396977 /nfs/dbraw/zinc/39/69/77/853396977.db2.gz XWPWMHSPWUCZCG-HYBUGGRVSA-N 1 3 381.564 3.567 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccc(F)cc3)C(C)C)CC2)CC1 ZINC000517169663 853459215 /nfs/dbraw/zinc/45/92/15/853459215.db2.gz ARYWGUYMMJZHJJ-JOCHJYFZSA-N 1 3 389.559 3.835 20 0 GHADHO CN1CC[NH+](CC2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC000519845658 853539305 /nfs/dbraw/zinc/53/93/05/853539305.db2.gz HNEDZLZOEFGZJH-UHFFFAOYSA-N 1 3 393.575 3.725 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000520061251 853797856 /nfs/dbraw/zinc/79/78/56/853797856.db2.gz KRIICPGNVMZATB-HSZRJFAPSA-N 1 3 379.548 3.626 20 0 GHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000588642117 854323328 /nfs/dbraw/zinc/32/33/28/854323328.db2.gz YRZQTTOGMTUPJQ-ICSRJNTNSA-N 1 3 389.559 3.664 20 0 GHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000588642117 854323333 /nfs/dbraw/zinc/32/33/33/854323333.db2.gz YRZQTTOGMTUPJQ-ICSRJNTNSA-N 1 3 389.559 3.664 20 0 GHADHO O=C1C[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1ccsc1 ZINC001167993371 854353154 /nfs/dbraw/zinc/35/31/54/854353154.db2.gz OEYOKCLZRQJBHT-LECXIGBMSA-N 1 3 385.577 3.582 20 0 GHADHO O=C1C[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1ccsc1 ZINC001167993371 854353165 /nfs/dbraw/zinc/35/31/65/854353165.db2.gz OEYOKCLZRQJBHT-LECXIGBMSA-N 1 3 385.577 3.582 20 0 GHADHO O=C1C[C@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1ccsc1 ZINC001167993371 854353169 /nfs/dbraw/zinc/35/31/69/854353169.db2.gz OEYOKCLZRQJBHT-LECXIGBMSA-N 1 3 385.577 3.582 20 0 GHADHO O=C1C[C@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1ccsc1 ZINC001167993371 854353179 /nfs/dbraw/zinc/35/31/79/854353179.db2.gz OEYOKCLZRQJBHT-LECXIGBMSA-N 1 3 385.577 3.582 20 0 GHADHO COc1ccc([C@H]2C[C@@H]([NH2+]CC3CCN(Cc4ccccn4)CC3)CCO2)cc1 ZINC001168617621 855073011 /nfs/dbraw/zinc/07/30/11/855073011.db2.gz VCLVNGGPGRMSSN-XUZZJYLKSA-N 1 3 395.547 3.812 20 0 GHADHO COc1ccc([C@H]2C[C@@H](N3CCC([NH3+])(c4ccc(OC)cc4)CC3)CCO2)cc1 ZINC001168621888 855150354 /nfs/dbraw/zinc/15/03/54/855150354.db2.gz AIRHHWHZSMHAHO-NZQKXSOJSA-N 1 3 396.531 3.874 20 0 GHADHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589998842 855220638 /nfs/dbraw/zinc/22/06/38/855220638.db2.gz ZRPUCAODBJAWQU-NJDAHSKKSA-N 1 3 385.596 3.723 20 0 GHADHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589998842 855220649 /nfs/dbraw/zinc/22/06/49/855220649.db2.gz ZRPUCAODBJAWQU-NJDAHSKKSA-N 1 3 385.596 3.723 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H](C)C1 ZINC000624106780 862658695 /nfs/dbraw/zinc/65/86/95/862658695.db2.gz OHMHODBQSMZSIE-TZYHBYERSA-N 1 3 377.532 3.704 20 0 GHADHO COc1cc([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)ccc1F ZINC000180975103 862696993 /nfs/dbraw/zinc/69/69/93/862696993.db2.gz VUDRBBSPCZZFSN-KRWDZBQOSA-N 1 3 399.510 3.511 20 0 GHADHO C[C@H]1CCCCN1CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591096380 855759741 /nfs/dbraw/zinc/75/97/41/855759741.db2.gz IHVJHWJNLAFHTD-PMACEKPBSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@H]1CCCCN1CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591096380 855759747 /nfs/dbraw/zinc/75/97/47/855759747.db2.gz IHVJHWJNLAFHTD-PMACEKPBSA-N 1 3 387.568 3.544 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)[C@H](C)C1 ZINC000482121811 862731956 /nfs/dbraw/zinc/73/19/56/862731956.db2.gz LYUFFTGQUVOVSJ-SJBKTWHCSA-N 1 3 393.641 3.687 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000765889273 855909620 /nfs/dbraw/zinc/90/96/20/855909620.db2.gz YKYIEWBJWNYVBN-SDXIKQIGSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000729525013 856234113 /nfs/dbraw/zinc/23/41/13/856234113.db2.gz COMUKSZKYUVEDB-WOJBJXKFSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)N1CCCCC1 ZINC000729525013 856234123 /nfs/dbraw/zinc/23/41/23/856234123.db2.gz COMUKSZKYUVEDB-WOJBJXKFSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H]1C[N@@H+](CCCCNCc2csc(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000067452731 856267154 /nfs/dbraw/zinc/26/71/54/856267154.db2.gz XWOPBZPWPNUHMJ-IYBDPMFKSA-N 1 3 377.529 3.928 20 0 GHADHO C[C@@H]1C[N@H+](CCCCNCc2csc(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000067452731 856267160 /nfs/dbraw/zinc/26/71/60/856267160.db2.gz XWOPBZPWPNUHMJ-IYBDPMFKSA-N 1 3 377.529 3.928 20 0 GHADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000181279313 862820992 /nfs/dbraw/zinc/82/09/92/862820992.db2.gz OQCUGJMQKKCJKB-SFHVURJKSA-N 1 3 389.584 3.895 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H](C)O1 ZINC000062252776 856681370 /nfs/dbraw/zinc/68/13/70/856681370.db2.gz LTRUXZYRWCEDRU-ROUUACIJSA-N 1 3 396.535 3.812 20 0 GHADHO COc1cccc2cc([C@@H](C)NCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)oc21 ZINC000658142459 856796341 /nfs/dbraw/zinc/79/63/41/856796341.db2.gz YKDCISOFYXIXCJ-OXQOHEQNSA-N 1 3 380.488 3.859 20 0 GHADHO COc1cccc2cc([C@@H](C)NCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)oc21 ZINC000658142459 856796391 /nfs/dbraw/zinc/79/63/91/856796391.db2.gz YKDCISOFYXIXCJ-OXQOHEQNSA-N 1 3 380.488 3.859 20 0 GHADHO COc1ccc(C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1OC ZINC000658163704 856893736 /nfs/dbraw/zinc/89/37/36/856893736.db2.gz ABCZYGGXSVTEIJ-GOSISDBHSA-N 1 3 397.563 3.840 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCCC2 ZINC000499502090 857017634 /nfs/dbraw/zinc/01/76/34/857017634.db2.gz XBCVTAMAYNCPNS-SFHVURJKSA-N 1 3 377.598 3.505 20 0 GHADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185682 862873328 /nfs/dbraw/zinc/87/33/28/862873328.db2.gz MYIWBBCKZJHUCG-APWZRJJASA-N 1 3 385.474 3.546 20 0 GHADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185682 862873347 /nfs/dbraw/zinc/87/33/47/862873347.db2.gz MYIWBBCKZJHUCG-APWZRJJASA-N 1 3 385.474 3.546 20 0 GHADHO CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccc(OC)c(F)c2)s1 ZINC000665259909 857207028 /nfs/dbraw/zinc/20/70/28/857207028.db2.gz VBKMRHDMKNJLIA-SRCQZFHVSA-N 1 3 377.529 3.958 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+]C/C=C\c2ccccc2OC)CC1 ZINC000520950802 857427577 /nfs/dbraw/zinc/42/75/77/857427577.db2.gz HLHDFUYJHOMHRZ-WQLSENKSSA-N 1 3 379.548 3.636 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1)C(C)C ZINC000675491873 857461709 /nfs/dbraw/zinc/46/17/09/857461709.db2.gz TVZNMXCCVUQEBS-NRFANRHFSA-N 1 3 395.547 3.886 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1)C(C)C ZINC000675491873 857461713 /nfs/dbraw/zinc/46/17/13/857461713.db2.gz TVZNMXCCVUQEBS-NRFANRHFSA-N 1 3 395.547 3.886 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@H]2CCC[C@@H]21 ZINC000671743460 857769117 /nfs/dbraw/zinc/76/91/17/857769117.db2.gz NKKVFGAGRUNXMA-SQNIBIBYSA-N 1 3 378.442 3.854 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@H]2CCC[C@@H]21 ZINC000671743460 857769121 /nfs/dbraw/zinc/76/91/21/857769121.db2.gz NKKVFGAGRUNXMA-SQNIBIBYSA-N 1 3 378.442 3.854 20 0 GHADHO FC(F)(F)c1ccc(Cn2cc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000521436297 857994618 /nfs/dbraw/zinc/99/46/18/857994618.db2.gz RMXATUVCVNOKAD-IBGZPJMESA-N 1 3 392.469 3.772 20 0 GHADHO CN1CCN(CC[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1(C)C ZINC000442869566 858187069 /nfs/dbraw/zinc/18/70/69/858187069.db2.gz DPVOLEWPUVUCJG-QFIPXVFZSA-N 1 3 387.518 3.864 20 0 GHADHO C[C@H](Cc1ccccc1)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574797007 858320749 /nfs/dbraw/zinc/32/07/49/858320749.db2.gz PSVAJEHBNMCZGZ-RCZVLFRGSA-N 1 3 377.576 3.757 20 0 GHADHO C[C@H](Cc1ccccc1)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574797007 858320756 /nfs/dbraw/zinc/32/07/56/858320756.db2.gz PSVAJEHBNMCZGZ-RCZVLFRGSA-N 1 3 377.576 3.757 20 0 GHADHO CC(C)(C)OC(=O)[C@H]1C[C@H](NCc2ccnn2-c2cc[nH+]cc2)c2ccccc21 ZINC000594944759 858342011 /nfs/dbraw/zinc/34/20/11/858342011.db2.gz BTQWYZLTTYZMRZ-SFTDATJTSA-N 1 3 390.487 3.927 20 0 GHADHO COc1cc(-c2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)ccc1OCC[NH+](C)C ZINC000443196226 858461085 /nfs/dbraw/zinc/46/10/85/858461085.db2.gz KTCYUNJGGHMQST-JYJNAYRXSA-N 1 3 388.512 3.619 20 0 GHADHO CN1CCC([NH+]2CCC(NCc3ccc(-c4c(F)cccc4F)o3)CC2)CC1 ZINC000115614898 858588829 /nfs/dbraw/zinc/58/88/29/858588829.db2.gz MOIUDZQUEWXWIY-UHFFFAOYSA-N 1 3 389.490 3.873 20 0 GHADHO COc1ccc(Oc2ccc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)cc2)cc1 ZINC000543240984 858984856 /nfs/dbraw/zinc/98/48/56/858984856.db2.gz YYNYTORQGIGTJF-ZEQRLZLVSA-N 1 3 396.531 3.955 20 0 GHADHO FC(F)(F)Cc1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000895347133 859193105 /nfs/dbraw/zinc/19/31/05/859193105.db2.gz DOAQBJKUSDIDIZ-UHFFFAOYSA-N 1 3 384.471 3.645 20 0 GHADHO C[C@H](CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543379245 859472381 /nfs/dbraw/zinc/47/23/81/859472381.db2.gz HKZNKMFOSOMODM-NHCUHLMSSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735924 859575036 /nfs/dbraw/zinc/57/50/36/859575036.db2.gz YXHKACWOMRZXOZ-YKSBVNFPSA-N 1 3 377.576 3.586 20 0 GHADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114642551 859792326 /nfs/dbraw/zinc/79/23/26/859792326.db2.gz OVDGHNAOXXVTSU-IBGZPJMESA-N 1 3 391.515 3.889 20 0 GHADHO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCO1 ZINC000856561775 881467749 /nfs/dbraw/zinc/46/77/49/881467749.db2.gz YVQLWBBOLADGOX-DWLFOUALSA-N 1 3 375.557 3.580 20 0 GHADHO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCO1 ZINC000856561775 881468116 /nfs/dbraw/zinc/46/81/16/881468116.db2.gz YVQLWBBOLADGOX-DWLFOUALSA-N 1 3 375.557 3.580 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)CC1 ZINC000484225556 859894954 /nfs/dbraw/zinc/89/49/54/859894954.db2.gz YHRJWYJCCLTYAV-HNTVYWHESA-N 1 3 398.595 3.726 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000484225556 859894970 /nfs/dbraw/zinc/89/49/70/859894970.db2.gz YHRJWYJCCLTYAV-HNTVYWHESA-N 1 3 398.595 3.726 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](C(C)C)C3CCCCC3)cc2)CC1 ZINC000728053299 860370117 /nfs/dbraw/zinc/37/01/17/860370117.db2.gz RNSGSBRYRDZGHC-UHFFFAOYSA-N 1 3 386.584 3.810 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](C(C)C)C3CCCCC3)cc2)CC1 ZINC000728053299 860370124 /nfs/dbraw/zinc/37/01/24/860370124.db2.gz RNSGSBRYRDZGHC-UHFFFAOYSA-N 1 3 386.584 3.810 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2c1cccc2C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168369259 860370795 /nfs/dbraw/zinc/37/07/95/860370795.db2.gz ZYGDNFKXKCHGPM-UHFFFAOYSA-N 1 3 385.552 3.948 20 0 GHADHO CO[C@H](C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606114 881581209 /nfs/dbraw/zinc/58/12/09/881581209.db2.gz IKEFLOYOWDDRPK-DHIUTWEWSA-N 1 3 389.584 3.970 20 0 GHADHO CO[C@H](C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606114 881581226 /nfs/dbraw/zinc/58/12/26/881581226.db2.gz IKEFLOYOWDDRPK-DHIUTWEWSA-N 1 3 389.584 3.970 20 0 GHADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600050030 860862568 /nfs/dbraw/zinc/86/25/68/860862568.db2.gz FYQWAYHJJBIGQL-HXUWFJFHSA-N 1 3 385.596 3.662 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cc2)CC1 ZINC000192683069 860906426 /nfs/dbraw/zinc/90/64/26/860906426.db2.gz OPUSXTGCBCRWCX-XMMPIXPASA-N 1 3 378.564 3.861 20 0 GHADHO CCOC(=O)c1cccc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000600142498 861115726 /nfs/dbraw/zinc/11/57/26/861115726.db2.gz OXPWFLYGYGJVPW-ICSRJNTNSA-N 1 3 381.520 3.649 20 0 GHADHO CCOC(=O)c1cccc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000600142498 861115731 /nfs/dbraw/zinc/11/57/31/861115731.db2.gz OXPWFLYGYGJVPW-ICSRJNTNSA-N 1 3 381.520 3.649 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000182905197 863399563 /nfs/dbraw/zinc/39/95/63/863399563.db2.gz XKCTXJKRUSZXBP-NZQKXSOJSA-N 1 3 395.522 3.690 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000182905197 863399581 /nfs/dbraw/zinc/39/95/81/863399581.db2.gz XKCTXJKRUSZXBP-NZQKXSOJSA-N 1 3 395.522 3.690 20 0 GHADHO CC(C)[NH+]1CCN(CCCN[C@H](C)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000856777452 881737886 /nfs/dbraw/zinc/73/78/86/881737886.db2.gz BHRAHYSHQGBNOX-CQSZACIVSA-N 1 3 392.897 3.821 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414926208 864541198 /nfs/dbraw/zinc/54/11/98/864541198.db2.gz MYTRSLWPNSPMPV-UTUOFQBUSA-N 1 3 377.838 3.935 20 0 GHADHO COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc(OC)c1OCc1ccccc1 ZINC000030907298 864806757 /nfs/dbraw/zinc/80/67/57/864806757.db2.gz HHLMHQPYBPBWKV-IBGZPJMESA-N 1 3 396.531 3.857 20 0 GHADHO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000533970252 865089562 /nfs/dbraw/zinc/08/95/62/865089562.db2.gz CVXMZTKPPJSXPW-UHFFFAOYSA-N 1 3 394.563 3.839 20 0 GHADHO C[C@H](NCc1ccc(N2CCCCC2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000480738660 865172543 /nfs/dbraw/zinc/17/25/43/865172543.db2.gz LFICIEIGYGIFKR-IBGZPJMESA-N 1 3 382.552 3.863 20 0 GHADHO CO[C@@H](C)[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480748185 865193028 /nfs/dbraw/zinc/19/30/28/865193028.db2.gz WEIIRJJCVBIZIP-IRXDYDNUSA-N 1 3 387.490 3.621 20 0 GHADHO O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000555380594 866035586 /nfs/dbraw/zinc/03/55/86/866035586.db2.gz YMQJFKIZYLIGBW-QTJGBDASSA-N 1 3 382.523 3.716 20 0 GHADHO O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000555380594 866035603 /nfs/dbraw/zinc/03/56/03/866035603.db2.gz YMQJFKIZYLIGBW-QTJGBDASSA-N 1 3 382.523 3.716 20 0 GHADHO C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183103548 866212601 /nfs/dbraw/zinc/21/26/01/866212601.db2.gz ZPZUYMXNZITIAK-PKOBYXMFSA-N 1 3 379.589 3.876 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000152479322 866565691 /nfs/dbraw/zinc/56/56/91/866565691.db2.gz LGHHRPVAQKBCJY-IRXDYDNUSA-N 1 3 376.566 3.538 20 0 GHADHO O=C(CNC1(c2ccccc2)CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000553002963 866611286 /nfs/dbraw/zinc/61/12/86/866611286.db2.gz REGBOUQKFLHUAV-UHFFFAOYSA-N 1 3 391.559 3.958 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000154224921 867309379 /nfs/dbraw/zinc/30/93/79/867309379.db2.gz PAODNHOWWQDJPI-QHCPKHFHSA-N 1 3 387.518 3.866 20 0 GHADHO CC1CCN([C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c2cccs2)CC1 ZINC000479217185 867370934 /nfs/dbraw/zinc/37/09/34/867370934.db2.gz ZWCYEEQJYRBYIO-RTBURBONSA-N 1 3 389.540 3.519 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)CC2)CC1 ZINC000171323051 882098228 /nfs/dbraw/zinc/09/82/28/882098228.db2.gz SLYTWVCMEJMIAQ-OAQYLSRUSA-N 1 3 398.595 3.524 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2OCc2ccccc2)CC1 ZINC000155606757 867978348 /nfs/dbraw/zinc/97/83/48/867978348.db2.gz DMZBTRGOFNBELX-SFTDATJTSA-N 1 3 381.564 3.942 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000156897407 868495090 /nfs/dbraw/zinc/49/50/90/868495090.db2.gz RVUAQCJZBCDNND-GMAHTHKFSA-N 1 3 395.547 3.633 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000156897407 868495097 /nfs/dbraw/zinc/49/50/97/868495097.db2.gz RVUAQCJZBCDNND-GMAHTHKFSA-N 1 3 395.547 3.633 20 0 GHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000156937351 868507143 /nfs/dbraw/zinc/50/71/43/868507143.db2.gz VSPNSWCSFBDMOW-KNQAVFIVSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000156937351 868507153 /nfs/dbraw/zinc/50/71/53/868507153.db2.gz VSPNSWCSFBDMOW-KNQAVFIVSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190790899 882272603 /nfs/dbraw/zinc/27/26/03/882272603.db2.gz UPDFHNRCMVIXDE-UHFFFAOYSA-N 1 3 386.584 3.584 20 0 GHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000540044260 870297699 /nfs/dbraw/zinc/29/76/99/870297699.db2.gz RWZIEJRHSDHKRH-WOJBJXKFSA-N 1 3 383.580 3.668 20 0 GHADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248403652 870379523 /nfs/dbraw/zinc/37/95/23/870379523.db2.gz OWJPOCCFZWJGNQ-YPAWHYETSA-N 1 3 395.547 3.598 20 0 GHADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000248533069 870477356 /nfs/dbraw/zinc/47/73/56/870477356.db2.gz YYQODHZLLBCCIF-AQNXPRMDSA-N 1 3 380.598 3.505 20 0 GHADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248601470 870527928 /nfs/dbraw/zinc/52/79/28/870527928.db2.gz VGDZKLMLBUBUDA-JENIJYKNSA-N 1 3 380.960 3.631 20 0 GHADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248601470 870527933 /nfs/dbraw/zinc/52/79/33/870527933.db2.gz VGDZKLMLBUBUDA-JENIJYKNSA-N 1 3 380.960 3.631 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000540158818 870619688 /nfs/dbraw/zinc/61/96/88/870619688.db2.gz ZNAHZHXVUVYMSQ-JBBXEZCESA-N 1 3 385.321 3.617 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000540170328 870656003 /nfs/dbraw/zinc/65/60/03/870656003.db2.gz PBKZMWXIXPJPJU-XMMPIXPASA-N 1 3 391.559 3.623 20 0 GHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CN1C(=O)OC(C)(C)C ZINC001168808470 870858925 /nfs/dbraw/zinc/85/89/25/870858925.db2.gz RNLBEDGUINEIFY-MBMVPVEPSA-N 1 3 399.579 3.885 20 0 GHADHO C[C@@H]1C[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168872416 870956208 /nfs/dbraw/zinc/95/62/08/870956208.db2.gz MGYWDBRJKIFAEZ-CTNGQTDRSA-N 1 3 399.579 3.982 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)CCN1Cc1ccccc1 ZINC000463206903 871138035 /nfs/dbraw/zinc/13/80/35/871138035.db2.gz QRTHEVQTYFGMNT-HYBUGGRVSA-N 1 3 377.576 3.728 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134015 871222589 /nfs/dbraw/zinc/22/25/89/871222589.db2.gz PHISCOOOPPYQGP-IVAOSVALSA-N 1 3 375.507 3.849 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134015 871222603 /nfs/dbraw/zinc/22/26/03/871222603.db2.gz PHISCOOOPPYQGP-IVAOSVALSA-N 1 3 375.507 3.849 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000462186430 871791261 /nfs/dbraw/zinc/79/12/61/871791261.db2.gz GBTUMOQIHGQKTR-AUSIDOKSSA-N 1 3 377.532 3.533 20 0 GHADHO CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC000061158560 882720514 /nfs/dbraw/zinc/72/05/14/882720514.db2.gz UTOANANHDQHKJS-UHFFFAOYSA-N 1 3 380.536 3.531 20 0 GHADHO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000550882095 882763791 /nfs/dbraw/zinc/76/37/91/882763791.db2.gz IMEFQUYUSXIYKN-GOTSBHOMSA-N 1 3 386.580 3.710 20 0 GHADHO Fc1ccc([C@@H](NCC2CC[NH+](Cc3cccs3)CC2)c2c[nH]nn2)cc1 ZINC000550885754 882768974 /nfs/dbraw/zinc/76/89/74/882768974.db2.gz JGDUJHAKNILIJF-HXUWFJFHSA-N 1 3 385.512 3.597 20 0 GHADHO CC(=O)c1c(C)cc(C)c(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1C ZINC000541663768 874043541 /nfs/dbraw/zinc/04/35/41/874043541.db2.gz ZMPQVXIRUAWTFO-UHFFFAOYSA-N 1 3 385.596 3.664 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541763499 874230750 /nfs/dbraw/zinc/23/07/50/874230750.db2.gz OHAXNCCLWSDOKG-UIFIKXQLSA-N 1 3 399.966 3.627 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541763499 874230762 /nfs/dbraw/zinc/23/07/62/874230762.db2.gz OHAXNCCLWSDOKG-UIFIKXQLSA-N 1 3 399.966 3.627 20 0 GHADHO CN1CCC([NH+]2CCC(NCc3cnc(CCc4ccccc4)s3)CC2)CC1 ZINC000449106754 874480743 /nfs/dbraw/zinc/48/07/43/874480743.db2.gz JKLWMELFUVKAIY-UHFFFAOYSA-N 1 3 398.620 3.577 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2csc(N3CCCC3)n2)CC1 ZINC000449163618 874560712 /nfs/dbraw/zinc/56/07/12/874560712.db2.gz MYRIZOIKBCOIQI-LJQANCHMSA-N 1 3 398.620 3.971 20 0 GHADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508879666 874667985 /nfs/dbraw/zinc/66/79/85/874667985.db2.gz JWVSMSKYDOMNJB-WWPVKYPJSA-N 1 3 394.563 3.594 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC000449320801 874728139 /nfs/dbraw/zinc/72/81/39/874728139.db2.gz PUHVYMBIMUDCDA-WINIVTDRSA-N 1 3 384.589 3.750 20 0 GHADHO Cc1cccn2cc(COc3ccc(C[NH2+]C4C[C@H]5CC[C@@H](C4)N5C)cc3)nc12 ZINC000449555091 875042017 /nfs/dbraw/zinc/04/20/17/875042017.db2.gz FLQRALMRCYHLME-XDNSSPFJSA-N 1 3 390.531 3.937 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC001201416679 875679047 /nfs/dbraw/zinc/67/90/47/875679047.db2.gz QRYYLZIWLNCLBR-BJKOFHAPSA-N 1 3 398.522 3.872 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC001201416681 875679336 /nfs/dbraw/zinc/67/93/36/875679336.db2.gz QRYYLZIWLNCLBR-RPWUZVMVSA-N 1 3 398.522 3.872 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1ccccc1)CC2 ZINC001201596766 875749152 /nfs/dbraw/zinc/74/91/52/875749152.db2.gz KEUAAOHSTZXSND-QHCPKHFHSA-N 1 3 379.548 3.627 20 0 GHADHO COc1ccc(OC)c([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000180105275 883020298 /nfs/dbraw/zinc/02/02/98/883020298.db2.gz GFEJMHZZFPTXJY-MNRDOXJOSA-N 1 3 396.531 3.522 20 0 GHADHO O[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421706 876903619 /nfs/dbraw/zinc/90/36/19/876903619.db2.gz XPSMKNPBXQCOQA-XLIONFOSSA-N 1 3 390.449 3.924 20 0 GHADHO O[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421706 876903622 /nfs/dbraw/zinc/90/36/22/876903622.db2.gz XPSMKNPBXQCOQA-XLIONFOSSA-N 1 3 390.449 3.924 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786784142 876936144 /nfs/dbraw/zinc/93/61/44/876936144.db2.gz SCKKDAZACZCEFQ-GOSISDBHSA-N 1 3 378.520 3.663 20 0 GHADHO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850516396 876987399 /nfs/dbraw/zinc/98/73/99/876987399.db2.gz FIGKSSCQGVDOND-MSOLQXFVSA-N 1 3 390.572 3.575 20 0 GHADHO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786907283 877021437 /nfs/dbraw/zinc/02/14/37/877021437.db2.gz VSKZEKOWNMTDJV-IPJJNNNSSA-N 1 3 392.547 3.777 20 0 GHADHO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786907283 877021452 /nfs/dbraw/zinc/02/14/52/877021452.db2.gz VSKZEKOWNMTDJV-IPJJNNNSSA-N 1 3 392.547 3.777 20 0 GHADHO Cc1ccc([C@@H]2CCCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000174467739 877041385 /nfs/dbraw/zinc/04/13/85/877041385.db2.gz YECROOVOAFZZNE-QHCPKHFHSA-N 1 3 398.595 3.790 20 0 GHADHO Cc1cc2oc(=O)cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2cc1C(C)C ZINC000530239328 877350396 /nfs/dbraw/zinc/35/03/96/877350396.db2.gz FEUGGRLIZMZECR-FQEVSTJZSA-N 1 3 398.547 3.815 20 0 GHADHO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)N(C)C)cc1 ZINC000455895269 877375076 /nfs/dbraw/zinc/37/50/76/877375076.db2.gz CWSHAEZWNUMOEI-VXKWHMMOSA-N 1 3 380.536 3.968 20 0 GHADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N(C)Cc1ccccc1 ZINC000455906951 878175038 /nfs/dbraw/zinc/17/50/38/878175038.db2.gz HSVRRIHYMUCPBE-JTSKRJEESA-N 1 3 380.536 3.878 20 0 GHADHO CCc1ccc([C@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)N(C)C)cc1 ZINC000530730794 878363347 /nfs/dbraw/zinc/36/33/47/878363347.db2.gz SXHZITAKSOHGBE-QHCPKHFHSA-N 1 3 394.563 3.588 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000530727899 878402062 /nfs/dbraw/zinc/40/20/62/878402062.db2.gz PLORRFZBKAEPQI-DENIHFKCSA-N 1 3 392.547 3.558 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)C[C@H]2C1 ZINC000853093031 878810630 /nfs/dbraw/zinc/81/06/30/878810630.db2.gz ZTKYNRAESPPYMB-ANULTFPQSA-N 1 3 391.600 3.734 20 0 GHADHO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H]1CC3(CCN(C)CC3)Oc3ccccc31)C2 ZINC000538308350 879267809 /nfs/dbraw/zinc/26/78/09/879267809.db2.gz VIKSYIATVRUCPS-GHTZIAJQSA-N 1 3 394.515 3.577 20 0 GHADHO COc1ccc2c(c1)OC[C@@H](N[C@@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000538308350 879267826 /nfs/dbraw/zinc/26/78/26/879267826.db2.gz VIKSYIATVRUCPS-GHTZIAJQSA-N 1 3 394.515 3.577 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000667078945 879469872 /nfs/dbraw/zinc/46/98/72/879469872.db2.gz JRWBQLXALDAHCY-LBPRGKRZSA-N 1 3 394.869 3.752 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000667078945 879469877 /nfs/dbraw/zinc/46/98/77/879469877.db2.gz JRWBQLXALDAHCY-LBPRGKRZSA-N 1 3 394.869 3.752 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000247042249 879897530 /nfs/dbraw/zinc/89/75/30/879897530.db2.gz MUCQXJHVVNSYNM-KSSFIOAISA-N 1 3 387.337 3.815 20 0 GHADHO CC1(C)CN(C[C@@H](O)CC(F)(F)F)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453005035 880318994 /nfs/dbraw/zinc/31/89/94/880318994.db2.gz ATXCFZTVSGTROS-RBUKOAKNSA-N 1 3 384.486 3.922 20 0 GHADHO CC(C)(C)N1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000184670083 880359302 /nfs/dbraw/zinc/35/93/02/880359302.db2.gz QSGFSDYWELTLMS-KRWDZBQOSA-N 1 3 397.485 3.659 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(Cl)cc2)N(C)C)[C@H](C)C1 ZINC000531738426 880367776 /nfs/dbraw/zinc/36/77/76/880367776.db2.gz RHGSIDGDLDOWOE-QMMLZNLJSA-N 1 3 381.992 3.669 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(Cl)cc2)N(C)C)[C@H](C)C1 ZINC000531738426 880367788 /nfs/dbraw/zinc/36/77/88/880367788.db2.gz RHGSIDGDLDOWOE-QMMLZNLJSA-N 1 3 381.992 3.669 20 0 GHADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1ccccc1F ZINC000453066826 880387144 /nfs/dbraw/zinc/38/71/44/880387144.db2.gz LJHCRRLYBMCZQU-MDNUFGMLSA-N 1 3 395.522 3.588 20 0 GHADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1ccccc1F ZINC000453066826 880387149 /nfs/dbraw/zinc/38/71/49/880387149.db2.gz LJHCRRLYBMCZQU-MDNUFGMLSA-N 1 3 395.522 3.588 20 0 GHADHO COCCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453084289 880441295 /nfs/dbraw/zinc/44/12/95/880441295.db2.gz DJHQSDMMSAKAPG-SMIHKQSGSA-N 1 3 385.596 3.520 20 0 GHADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ncc(-c2ccccc2)n1C ZINC000453101094 880465896 /nfs/dbraw/zinc/46/58/96/880465896.db2.gz MZGOBGCFHVVOSL-IBGZPJMESA-N 1 3 392.547 3.921 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](c2ccsc2)N(C)C)CC1 ZINC000531785777 880480334 /nfs/dbraw/zinc/48/03/34/880480334.db2.gz HLIODUWTKHVJLT-QFIPXVFZSA-N 1 3 386.609 3.673 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000453114500 880483537 /nfs/dbraw/zinc/48/35/37/880483537.db2.gz VTBKUOGHNMONJC-UXHICEINSA-N 1 3 382.552 3.798 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CC[N@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)c2)n1 ZINC000453114251 880484643 /nfs/dbraw/zinc/48/46/43/880484643.db2.gz SWJGAQALVQYYCF-SGNDLWITSA-N 1 3 387.531 3.800 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)c2)n1 ZINC000453114251 880484650 /nfs/dbraw/zinc/48/46/50/880484650.db2.gz SWJGAQALVQYYCF-SGNDLWITSA-N 1 3 387.531 3.800 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)[C@H](O)CCCC4)CC2)CC1 ZINC000855546802 880580795 /nfs/dbraw/zinc/58/07/95/880580795.db2.gz OXUUKNMKSCFZPD-HSZRJFAPSA-N 1 3 399.579 3.581 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197632 880602974 /nfs/dbraw/zinc/60/29/74/880602974.db2.gz NZPCFBIROWEZIO-XMSQKQJNSA-N 1 3 390.531 3.505 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197632 880602979 /nfs/dbraw/zinc/60/29/79/880602979.db2.gz NZPCFBIROWEZIO-XMSQKQJNSA-N 1 3 390.531 3.505 20 0 GHADHO CC[C@@H](CN[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000531941266 880799539 /nfs/dbraw/zinc/79/95/39/880799539.db2.gz YEJQWWZYVRCDJP-ZBFHGGJFSA-N 1 3 387.446 3.766 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975752 880853564 /nfs/dbraw/zinc/85/35/64/880853564.db2.gz ZBTDYBQNBPPMQS-XMSQKQJNSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975752 880853576 /nfs/dbraw/zinc/85/35/76/880853576.db2.gz ZBTDYBQNBPPMQS-XMSQKQJNSA-N 1 3 397.950 3.814 20 0 GHADHO CC1CC[NH+](C2CCC(NC(=O)NC[C@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000120069740 881308967 /nfs/dbraw/zinc/30/89/67/881308967.db2.gz APXLHTDXAUFSPJ-LZBANZJXSA-N 1 3 386.584 3.632 20 0 GHADHO Cc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c(Cl)c1 ZINC001211910986 883512122 /nfs/dbraw/zinc/51/21/22/883512122.db2.gz OEXMTOAAOWZJTE-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c(Cl)c1 ZINC001211910986 883512135 /nfs/dbraw/zinc/51/21/35/883512135.db2.gz OEXMTOAAOWZJTE-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]Cc3cncs3)CC2)c1 ZINC000135872606 883578038 /nfs/dbraw/zinc/57/80/38/883578038.db2.gz HBDAQENXTOQQFD-UHFFFAOYSA-N 1 3 398.498 3.854 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000195746494 883627820 /nfs/dbraw/zinc/62/78/20/883627820.db2.gz ZBPWBYCBMQBPLF-UHFFFAOYSA-N 1 3 388.600 3.792 20 0 GHADHO c1c(C[NH2+]C2CCN(CC3CC3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000194062344 883655849 /nfs/dbraw/zinc/65/58/49/883655849.db2.gz BBUJEJSHTCUOPD-UHFFFAOYSA-N 1 3 387.531 3.898 20 0 GHADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000477107092 883724467 /nfs/dbraw/zinc/72/44/67/883724467.db2.gz BXKDPKBZQGBXJN-QUCCMNQESA-N 1 3 397.567 3.744 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000192762002 884297426 /nfs/dbraw/zinc/29/74/26/884297426.db2.gz HVVIIWGWBZZQEN-IBGZPJMESA-N 1 3 390.641 3.617 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000192762002 884297445 /nfs/dbraw/zinc/29/74/45/884297445.db2.gz HVVIIWGWBZZQEN-IBGZPJMESA-N 1 3 390.641 3.617 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1NC(C)=O ZINC000192930128 884314472 /nfs/dbraw/zinc/31/44/72/884314472.db2.gz ZIRLWKHFSJIMKW-XLIONFOSSA-N 1 3 381.520 3.826 20 0 GHADHO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000495109448 884561029 /nfs/dbraw/zinc/56/10/29/884561029.db2.gz PKYZANNAONYJJI-XQBPLPMBSA-N 1 3 396.531 3.627 20 0 GHADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000498608729 885043968 /nfs/dbraw/zinc/04/39/68/885043968.db2.gz ZNJBADZVNGOCIX-AUSIDOKSSA-N 1 3 398.595 3.746 20 0 GHADHO CCc1nc(Cl)cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170524254 885439971 /nfs/dbraw/zinc/43/99/71/885439971.db2.gz IKYDNHYLYPWNLQ-UHFFFAOYSA-N 1 3 383.927 3.602 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cc(Br)ccn3)c3ccccc23)CC1 ZINC001170528599 885567238 /nfs/dbraw/zinc/56/72/38/885567238.db2.gz ULMVENPRXOBICS-UHFFFAOYSA-N 1 3 399.336 3.754 20 0 GHADHO C[C@H]1[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000807620930 885576747 /nfs/dbraw/zinc/57/67/47/885576747.db2.gz SYUMOSVBUXXNJC-CVDCTZTESA-N 1 3 394.563 3.553 20 0 GHADHO CC(C)C[NH+]1CCC(N[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000131154271 885600388 /nfs/dbraw/zinc/60/03/88/885600388.db2.gz OYMYKJWRTIKUFU-QGZVFWFLSA-N 1 3 379.976 3.787 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccc4c(c3)NC(=S)C4)c3ccccc23)CC1 ZINC001170530830 885679129 /nfs/dbraw/zinc/67/91/29/885679129.db2.gz FLFGSKYAYLTHKD-UHFFFAOYSA-N 1 3 390.556 3.892 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000532480074 885792141 /nfs/dbraw/zinc/79/21/41/885792141.db2.gz HBEGJNUDLNLPJK-HZPDHXFCSA-N 1 3 381.948 3.776 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000532480074 885792147 /nfs/dbraw/zinc/79/21/47/885792147.db2.gz HBEGJNUDLNLPJK-HZPDHXFCSA-N 1 3 381.948 3.776 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000532480074 885792155 /nfs/dbraw/zinc/79/21/55/885792155.db2.gz HBEGJNUDLNLPJK-HZPDHXFCSA-N 1 3 381.948 3.776 20 0 GHADHO CC[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2c(c1)CCCO2 ZINC000153537689 886177794 /nfs/dbraw/zinc/17/77/94/886177794.db2.gz FNNYBMIHRUXKMC-JOCHJYFZSA-N 1 3 395.547 3.544 20 0 GHADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000131556935 886255375 /nfs/dbraw/zinc/25/53/75/886255375.db2.gz VYWRIJNAJKBUJY-UONOGXRCSA-N 1 3 385.321 3.740 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666665092 887039964 /nfs/dbraw/zinc/03/99/64/887039964.db2.gz UFOJZMZRPVLWOV-OAQYLSRUSA-N 1 3 398.595 3.699 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666665092 887039979 /nfs/dbraw/zinc/03/99/79/887039979.db2.gz UFOJZMZRPVLWOV-OAQYLSRUSA-N 1 3 398.595 3.699 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000809616268 887588406 /nfs/dbraw/zinc/58/84/06/887588406.db2.gz LTVYRUDUZKIVMU-JOCHJYFZSA-N 1 3 387.568 3.745 20 0 GHADHO CN(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738928 887775260 /nfs/dbraw/zinc/77/52/60/887775260.db2.gz PSCNVDIFRJOBKM-UHFFFAOYSA-N 1 3 392.503 3.542 20 0 GHADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000051758615 887781380 /nfs/dbraw/zinc/78/13/80/887781380.db2.gz IXUAOOCMPLRLGF-HXUWFJFHSA-N 1 3 392.975 3.649 20 0 GHADHO [NH3+]CCc1ccccc1NC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001170595221 888121730 /nfs/dbraw/zinc/12/17/30/888121730.db2.gz IFTIYFYRPAIUGJ-DEOSSOPVSA-N 1 3 389.543 3.663 20 0 GHADHO OC1(C[NH2+]Cc2cccc(Br)c2)CCN(Cc2ccccc2)CC1 ZINC000397658906 888253437 /nfs/dbraw/zinc/25/34/37/888253437.db2.gz ZLMZXPPFWJQADQ-UHFFFAOYSA-N 1 3 389.337 3.566 20 0 GHADHO O=C(c1ccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1)N1CCCC1 ZINC000865437753 888350086 /nfs/dbraw/zinc/35/00/86/888350086.db2.gz FEDXEHJKIHAIIA-FQEVSTJZSA-N 1 3 397.588 3.986 20 0 GHADHO O=C(c1ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1)N1CCCC1 ZINC000865437753 888350104 /nfs/dbraw/zinc/35/01/04/888350104.db2.gz FEDXEHJKIHAIIA-FQEVSTJZSA-N 1 3 397.588 3.986 20 0 GHADHO FC(F)(F)Cn1ccnc1CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717960 888541687 /nfs/dbraw/zinc/54/16/87/888541687.db2.gz QBSSNCHLFYQIRB-UHFFFAOYSA-N 1 3 380.458 3.837 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000810650046 888746745 /nfs/dbraw/zinc/74/67/45/888746745.db2.gz YXVFGVBYKKYSOR-XQFWAAQXSA-N 1 3 389.559 3.616 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000810650046 888746753 /nfs/dbraw/zinc/74/67/53/888746753.db2.gz YXVFGVBYKKYSOR-XQFWAAQXSA-N 1 3 389.559 3.616 20 0 GHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532764873 888908470 /nfs/dbraw/zinc/90/84/70/888908470.db2.gz ZDMWNFBVYDBKQN-AQNXPRMDSA-N 1 3 397.563 3.838 20 0 GHADHO C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCN1Cc1ccccc1 ZINC000868184310 889340473 /nfs/dbraw/zinc/34/04/73/889340473.db2.gz MNDRQJIOLRRVSJ-VOQZNFBZSA-N 1 3 378.520 3.630 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000644531069 913342969 /nfs/dbraw/zinc/34/29/69/913342969.db2.gz YQPSHGKFAUDYDW-XZOQPEGZSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644531069 913342993 /nfs/dbraw/zinc/34/29/93/913342993.db2.gz YQPSHGKFAUDYDW-XZOQPEGZSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000644531067 913343298 /nfs/dbraw/zinc/34/32/98/913343298.db2.gz YQPSHGKFAUDYDW-GOTSBHOMSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644531067 913343311 /nfs/dbraw/zinc/34/33/11/913343311.db2.gz YQPSHGKFAUDYDW-GOTSBHOMSA-N 1 3 382.548 3.545 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000122326076 889645150 /nfs/dbraw/zinc/64/51/50/889645150.db2.gz DAFPPTTXVOLZQR-PCCBWWKXSA-N 1 3 387.568 3.586 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4c(c3)-c3ccccc3C4)CC2)CC1 ZINC000747774657 890436627 /nfs/dbraw/zinc/43/66/27/890436627.db2.gz WGRPEPIRHRLFAI-UHFFFAOYSA-N 1 3 389.543 3.546 20 0 GHADHO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000126659060 890636048 /nfs/dbraw/zinc/63/60/48/890636048.db2.gz STDHFLYQUBWXCZ-LJQANCHMSA-N 1 3 397.563 3.610 20 0 GHADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1Cl ZINC000126678440 890645111 /nfs/dbraw/zinc/64/51/11/890645111.db2.gz IQGAZUMUDYPFOC-KRWDZBQOSA-N 1 3 387.955 3.947 20 0 GHADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(OC)c(OC)c1 ZINC000126688577 890649774 /nfs/dbraw/zinc/64/97/74/890649774.db2.gz LLJARYPYVOSEPZ-JOCHJYFZSA-N 1 3 397.563 3.692 20 0 GHADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)CN1CCCCC1 ZINC000533549580 890863367 /nfs/dbraw/zinc/86/33/67/890863367.db2.gz RYFJPNWGOPMRGQ-AQNXPRMDSA-N 1 3 397.563 3.696 20 0 GHADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)CN1CCCCC1 ZINC000533549581 890863558 /nfs/dbraw/zinc/86/35/58/890863558.db2.gz RYFJPNWGOPMRGQ-HSALFYBXSA-N 1 3 397.563 3.696 20 0 GHADHO O=C(CN1CCC[C@@H]1c1cccc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000068299599 892169969 /nfs/dbraw/zinc/16/99/69/892169969.db2.gz NDASEUFGCWZUFC-HSZRJFAPSA-N 1 3 377.532 3.720 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(CN(C)C)c1)c1cccc(OC)c1 ZINC000128630213 892214235 /nfs/dbraw/zinc/21/42/35/892214235.db2.gz UXWKRHCZYZVFSB-QFIPXVFZSA-N 1 3 383.536 3.570 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000262406709 892269616 /nfs/dbraw/zinc/26/96/16/892269616.db2.gz OTBKAQRZEUNRBO-ZVZYQTTQSA-N 1 3 385.474 3.593 20 0 GHADHO COc1cc(NCC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1 ZINC000508723503 892989314 /nfs/dbraw/zinc/98/93/14/892989314.db2.gz XJYYCSDFUGGTQG-ICSRJNTNSA-N 1 3 383.536 3.616 20 0 GHADHO CC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)c1ccccc1 ZINC000774843555 913734789 /nfs/dbraw/zinc/73/47/89/913734789.db2.gz KMKQUADVUQYSPI-QFIPXVFZSA-N 1 3 380.536 3.508 20 0 GHADHO CCN1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000069160388 893176143 /nfs/dbraw/zinc/17/61/43/893176143.db2.gz LXHLACTVAWSFES-LJQANCHMSA-N 1 3 375.520 3.756 20 0 GHADHO C[C@H]1CN(c2ccccc2CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000459393145 893449931 /nfs/dbraw/zinc/44/99/31/893449931.db2.gz VKOYCIYRWVZIFV-VQTJNVASSA-N 1 3 399.604 3.975 20 0 GHADHO C[C@H]1CN(c2ccccc2CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1 ZINC000459393145 893449938 /nfs/dbraw/zinc/44/99/38/893449938.db2.gz VKOYCIYRWVZIFV-VQTJNVASSA-N 1 3 399.604 3.975 20 0 GHADHO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000877089161 893479360 /nfs/dbraw/zinc/47/93/60/893479360.db2.gz KWJHSHGMOSZQIK-VQTJNVASSA-N 1 3 389.540 3.501 20 0 GHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000536696856 893565387 /nfs/dbraw/zinc/56/53/87/893565387.db2.gz PJXSAUXKCSZJBC-LJQANCHMSA-N 1 3 376.932 3.663 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C)CC1CCCCC1 ZINC000536702061 893579010 /nfs/dbraw/zinc/57/90/10/893579010.db2.gz BDLHLONDIKLNRN-UHFFFAOYSA-N 1 3 386.584 3.659 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cn1C ZINC000564128710 894628476 /nfs/dbraw/zinc/62/84/76/894628476.db2.gz FGJZHNJXPMRTSA-QZTJIDSGSA-N 1 3 383.536 3.579 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000543763023 913953975 /nfs/dbraw/zinc/95/39/75/913953975.db2.gz XBOUQTOBDJPMIN-ADYITMSISA-N 1 3 394.538 3.690 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000543763023 913953991 /nfs/dbraw/zinc/95/39/91/913953991.db2.gz XBOUQTOBDJPMIN-ADYITMSISA-N 1 3 394.538 3.690 20 0 GHADHO Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000543763023 913953994 /nfs/dbraw/zinc/95/39/94/913953994.db2.gz XBOUQTOBDJPMIN-ADYITMSISA-N 1 3 394.538 3.690 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](Cc4ccccc4)[C@@H]3C)CC2)CC1 ZINC000565187536 895448180 /nfs/dbraw/zinc/44/81/80/895448180.db2.gz CLIXMPAFDUPCFR-NZQKXSOJSA-N 1 3 397.607 3.662 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000565327217 895536993 /nfs/dbraw/zinc/53/69/93/895536993.db2.gz XNXVFORBHRYIJB-HXUWFJFHSA-N 1 3 396.579 3.847 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000565327217 895536997 /nfs/dbraw/zinc/53/69/97/895536997.db2.gz XNXVFORBHRYIJB-HXUWFJFHSA-N 1 3 396.579 3.847 20 0 GHADHO C[C@@]1(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN(Cc2ccccc2)C1 ZINC000566319296 896234516 /nfs/dbraw/zinc/23/45/16/896234516.db2.gz BMEQSRFPENPJAD-RUZDIDTESA-N 1 3 391.559 3.679 20 0 GHADHO COCCOCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000566388286 896282271 /nfs/dbraw/zinc/28/22/71/896282271.db2.gz LAKKWKGSXSTITG-HYBUGGRVSA-N 1 3 382.548 3.992 20 0 GHADHO COCCOCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000566388286 896282285 /nfs/dbraw/zinc/28/22/85/896282285.db2.gz LAKKWKGSXSTITG-HYBUGGRVSA-N 1 3 382.548 3.992 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000566470197 896330387 /nfs/dbraw/zinc/33/03/87/896330387.db2.gz OZFPLEVGSJRNTO-LADGPHEKSA-N 1 3 397.607 3.883 20 0 GHADHO C[NH+](C)CC[C@@H](NC[C@@H](O)c1ccc(F)c(Br)c1)C(C)(C)C ZINC000819080748 896364370 /nfs/dbraw/zinc/36/43/70/896364370.db2.gz IDMHQLZGMFPLSP-HZPDHXFCSA-N 1 3 375.326 3.578 20 0 GHADHO C/C(=C/c1cccc(C(F)(F)F)c1)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000567390121 897110213 /nfs/dbraw/zinc/11/02/13/897110213.db2.gz DKUOGSLMQFRPIG-SSZFMOIBSA-N 1 3 397.485 3.641 20 0 GHADHO O=c1[nH]c2ccccc2cc1C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001137185241 897317535 /nfs/dbraw/zinc/31/75/35/897317535.db2.gz KWRWAJIGLRSKIE-UHFFFAOYSA-N 1 3 388.515 3.824 20 0 GHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H](C)Cc1ccsc1 ZINC000568208845 897674404 /nfs/dbraw/zinc/67/44/04/897674404.db2.gz GWBDLOOILYLWHO-SFHVURJKSA-N 1 3 391.625 3.724 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@H]3CCc4c3cccc4Cl)cc2)CC1 ZINC000568604753 897975819 /nfs/dbraw/zinc/97/58/19/897975819.db2.gz GTFZLCSSOQUYNU-QFIPXVFZSA-N 1 3 397.950 3.814 20 0 GHADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000569673820 898874164 /nfs/dbraw/zinc/87/41/64/898874164.db2.gz SGQRKNDHGUHOPH-BJKOFHAPSA-N 1 3 396.579 3.575 20 0 GHADHO C[C@@H]1C[C@H](CN2CC[C@H](C[N@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476913 899050714 /nfs/dbraw/zinc/05/07/14/899050714.db2.gz CZDSRPRZOHAFMF-MISYRCLQSA-N 1 3 379.589 3.686 20 0 GHADHO C[C@@H]1C[C@H](CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476913 899050725 /nfs/dbraw/zinc/05/07/25/899050725.db2.gz CZDSRPRZOHAFMF-MISYRCLQSA-N 1 3 379.589 3.686 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(C3OCCO3)cc2)CC1 ZINC000823851759 899279768 /nfs/dbraw/zinc/27/97/68/899279768.db2.gz ZNYQQVIAZGSCPS-LJQANCHMSA-N 1 3 380.532 3.917 20 0 GHADHO O=C(NCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000570590089 899413884 /nfs/dbraw/zinc/41/38/84/899413884.db2.gz KBAPABZXYQUKOO-XPWALMASSA-N 1 3 383.580 3.573 20 0 GHADHO FC(F)(F)c1cnc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001137022180 900101357 /nfs/dbraw/zinc/10/13/57/900101357.db2.gz VBSGWJVFBYSPCB-DLBZAZTESA-N 1 3 378.442 3.773 20 0 GHADHO FC(F)(F)c1cnc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001137022180 900101368 /nfs/dbraw/zinc/10/13/68/900101368.db2.gz VBSGWJVFBYSPCB-DLBZAZTESA-N 1 3 378.442 3.773 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cccc(O)c1C)CC2 ZINC001144111986 901075405 /nfs/dbraw/zinc/07/54/05/901075405.db2.gz GVBMJKHECKMGAV-QFIPXVFZSA-N 1 3 395.547 3.599 20 0 GHADHO CCC[C@@H]1CCCC[C@@H]1CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000576001916 901575781 /nfs/dbraw/zinc/57/57/81/901575781.db2.gz MGLMSHOUHCAWQW-TZIWHRDSSA-N 1 3 377.617 3.905 20 0 GHADHO c1ncn(-c2ccc(C[NH2+]C[C@H]3CCCCN(Cc4ccccc4)C3)cc2)n1 ZINC000576077682 901655775 /nfs/dbraw/zinc/65/57/75/901655775.db2.gz ZEGADULMISQQNM-JOCHJYFZSA-N 1 3 375.520 3.659 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H](CO)Cc3cc(F)c(F)c(F)c3)CC2)C1 ZINC000576340697 901962024 /nfs/dbraw/zinc/96/20/24/901962024.db2.gz OSORUZRTSVNDBT-SZVBFZGTSA-N 1 3 398.513 3.888 20 0 GHADHO C[NH+]1CCC(CN2CCN([C@H]3CCc4cc(Cl)c(Cl)cc4C3)CC2)CC1 ZINC001171171388 901972272 /nfs/dbraw/zinc/97/22/72/901972272.db2.gz GHKLWAMIFCRSLW-IBGZPJMESA-N 1 3 396.406 3.810 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000577055113 902471739 /nfs/dbraw/zinc/47/17/39/902471739.db2.gz IOAGAYIUJMVXGK-NNMXDRDESA-N 1 3 388.577 3.777 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000577055113 902471742 /nfs/dbraw/zinc/47/17/42/902471742.db2.gz IOAGAYIUJMVXGK-NNMXDRDESA-N 1 3 388.577 3.777 20 0 GHADHO C[C@@H]([NH2+]CCc1csc(N2CCCC2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000577211665 902593416 /nfs/dbraw/zinc/59/34/16/902593416.db2.gz JJPBDFMZJYAZDK-UYAOXDASSA-N 1 3 384.593 3.786 20 0 GHADHO N[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749254 903153056 /nfs/dbraw/zinc/15/30/56/903153056.db2.gz VBSOMYWIEQHTET-YTFSRNRJSA-N 1 3 377.532 3.590 20 0 GHADHO N[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749254 903153061 /nfs/dbraw/zinc/15/30/61/903153061.db2.gz VBSOMYWIEQHTET-YTFSRNRJSA-N 1 3 377.532 3.590 20 0 GHADHO COCc1cc([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1OC ZINC000132748369 903303098 /nfs/dbraw/zinc/30/30/98/903303098.db2.gz XJYHRRNWJCJUAP-GOSISDBHSA-N 1 3 398.547 3.649 20 0 GHADHO CC[NH+]1CCC(C(=O)Nc2cccc3c2CN(C)C[C@@H]3c2ccccc2)CC1 ZINC001146787400 903610001 /nfs/dbraw/zinc/61/00/01/903610001.db2.gz SOXFEWYPCAHGGQ-OAQYLSRUSA-N 1 3 377.532 3.934 20 0 GHADHO CCOc1cccc([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000773001413 904356171 /nfs/dbraw/zinc/35/61/71/904356171.db2.gz SAOLDRAVKWBGFU-IBGZPJMESA-N 1 3 395.547 3.762 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716638531 904695473 /nfs/dbraw/zinc/69/54/73/904695473.db2.gz PJOYUXRPKFTVOX-ITBHCLRTSA-N 1 3 399.579 3.932 20 0 GHADHO CC(C)N(C)c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000579655880 904778094 /nfs/dbraw/zinc/77/80/94/904778094.db2.gz NAVSTBDCEVAUEJ-DHIUTWEWSA-N 1 3 378.564 3.880 20 0 GHADHO CC(C)N(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000579655880 904778106 /nfs/dbraw/zinc/77/81/06/904778106.db2.gz NAVSTBDCEVAUEJ-DHIUTWEWSA-N 1 3 378.564 3.880 20 0 GHADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762686 904999655 /nfs/dbraw/zinc/99/96/55/904999655.db2.gz LHXHGGXOHQUSHQ-GATIMQMVSA-N 1 3 375.560 3.713 20 0 GHADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762686 904999658 /nfs/dbraw/zinc/99/96/58/904999658.db2.gz LHXHGGXOHQUSHQ-GATIMQMVSA-N 1 3 375.560 3.713 20 0 GHADHO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)CCN1Cc1ccccc1 ZINC001171983211 905239012 /nfs/dbraw/zinc/23/90/12/905239012.db2.gz NMNOTQLQUSGSHH-RBBKRZOGSA-N 1 3 377.532 3.973 20 0 GHADHO COc1ccc(C[C@@H](CO)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172072904 905276673 /nfs/dbraw/zinc/27/66/73/905276673.db2.gz NWKALNYFPKUVOQ-NEWJYFPISA-N 1 3 394.559 3.774 20 0 GHADHO COc1ccc(C[C@@H](CO)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172072904 905276687 /nfs/dbraw/zinc/27/66/87/905276687.db2.gz NWKALNYFPKUVOQ-NEWJYFPISA-N 1 3 394.559 3.774 20 0 GHADHO CCNC(=O)OC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172082722 905297224 /nfs/dbraw/zinc/29/72/24/905297224.db2.gz LDMPEMWHSJMWAN-AERCQKQUSA-N 1 3 385.552 3.783 20 0 GHADHO CCNC(=O)OC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172082722 905297235 /nfs/dbraw/zinc/29/72/35/905297235.db2.gz LDMPEMWHSJMWAN-AERCQKQUSA-N 1 3 385.552 3.783 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001172215338 905419288 /nfs/dbraw/zinc/41/92/88/905419288.db2.gz CSFOABUFLCVHCL-UHFFFAOYSA-N 1 3 390.955 3.721 20 0 GHADHO COCCC[NH+]1CCC(N[C@@H](CC2CCOCC2)c2cccc(F)c2)CC1 ZINC001172248396 905445835 /nfs/dbraw/zinc/44/58/35/905445835.db2.gz FUEBJLWPUSCYJC-QFIPXVFZSA-N 1 3 378.532 3.774 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH+]3CCC(N4CCCC4)CC3)CC[C@H]2C1 ZINC001172534007 905637955 /nfs/dbraw/zinc/63/79/55/905637955.db2.gz LAYPRXGCLNFXDL-FIXSFTCYSA-N 1 3 395.591 3.878 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H](N3CCC([NH+]4CCCC4)CC3)CC[C@H]2C1 ZINC001172534007 905637962 /nfs/dbraw/zinc/63/79/62/905637962.db2.gz LAYPRXGCLNFXDL-FIXSFTCYSA-N 1 3 395.591 3.878 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172639877 905702504 /nfs/dbraw/zinc/70/25/04/905702504.db2.gz GUXNAFBBKBXQHZ-FUMNGEBKSA-N 1 3 379.589 3.828 20 0 GHADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172639877 905702510 /nfs/dbraw/zinc/70/25/10/905702510.db2.gz GUXNAFBBKBXQHZ-FUMNGEBKSA-N 1 3 379.589 3.828 20 0 GHADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001172844017 905896908 /nfs/dbraw/zinc/89/69/08/905896908.db2.gz GEVVMSZHJJSMRX-QGZVFWFLSA-N 1 3 389.946 3.947 20 0 GHADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172846621 905900960 /nfs/dbraw/zinc/90/09/60/905900960.db2.gz WEDPKMVZBBNEJD-QGZVFWFLSA-N 1 3 389.946 3.947 20 0 GHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001172959660 906067519 /nfs/dbraw/zinc/06/75/19/906067519.db2.gz PKGBSHHANOEPDG-SFHVURJKSA-N 1 3 390.572 3.529 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1 ZINC001173709624 906659932 /nfs/dbraw/zinc/65/99/32/906659932.db2.gz PDTGZTOKMXDJFK-UFONIEFXSA-N 1 3 392.543 3.904 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000299263449 921273264 /nfs/dbraw/zinc/27/32/64/921273264.db2.gz KKKJDKOAQLLKKR-QAPCUYQASA-N 1 3 399.938 3.534 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000299263449 921273268 /nfs/dbraw/zinc/27/32/68/921273268.db2.gz KKKJDKOAQLLKKR-QAPCUYQASA-N 1 3 399.938 3.534 20 0 GHADHO CCCN(C)C[C@@H]1CC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479085 907293885 /nfs/dbraw/zinc/29/38/85/907293885.db2.gz UNGULMDCFJREAB-QFIPXVFZSA-N 1 3 387.568 3.699 20 0 GHADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479085 907293898 /nfs/dbraw/zinc/29/38/98/907293898.db2.gz UNGULMDCFJREAB-QFIPXVFZSA-N 1 3 387.568 3.699 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479085 907293908 /nfs/dbraw/zinc/29/39/08/907293908.db2.gz UNGULMDCFJREAB-QFIPXVFZSA-N 1 3 387.568 3.699 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479085 907293920 /nfs/dbraw/zinc/29/39/20/907293920.db2.gz UNGULMDCFJREAB-QFIPXVFZSA-N 1 3 387.568 3.699 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(CC(F)(F)F)cc3)cc2)C1 ZINC000631170678 907611602 /nfs/dbraw/zinc/61/16/02/907611602.db2.gz BQTQRAPWIRBITM-FQEVSTJZSA-N 1 3 378.438 3.648 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(CC(F)(F)F)cc3)cc2)C1 ZINC000631170678 907611604 /nfs/dbraw/zinc/61/16/04/907611604.db2.gz BQTQRAPWIRBITM-FQEVSTJZSA-N 1 3 378.438 3.648 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCS2 ZINC000191547385 908640716 /nfs/dbraw/zinc/64/07/16/908640716.db2.gz PPPODWNLOURBMP-RXVVDRJESA-N 1 3 384.545 3.589 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCS2 ZINC000191547385 908640724 /nfs/dbraw/zinc/64/07/24/908640724.db2.gz PPPODWNLOURBMP-RXVVDRJESA-N 1 3 384.545 3.589 20 0 GHADHO Cc1ccc(-c2ncc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)s2)cc1 ZINC001178463589 909066421 /nfs/dbraw/zinc/06/64/21/909066421.db2.gz RPUHNSXCWWZOOF-OAQYLSRUSA-N 1 3 393.556 3.975 20 0 GHADHO Cc1ccc(-c2ncc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)s2)cc1 ZINC001178463589 909066437 /nfs/dbraw/zinc/06/64/37/909066437.db2.gz RPUHNSXCWWZOOF-OAQYLSRUSA-N 1 3 393.556 3.975 20 0 GHADHO CC[NH+]1CCC(N(C)C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC001178589307 909108746 /nfs/dbraw/zinc/10/87/46/909108746.db2.gz CYLGZCBXSDDDFS-UHFFFAOYSA-N 1 3 391.559 3.651 20 0 GHADHO CC(C)(C)OC(=O)N[C@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257707 909444333 /nfs/dbraw/zinc/44/43/33/909444333.db2.gz GGCMTLUDCQARTO-HOTGVXAUSA-N 1 3 393.494 3.544 20 0 GHADHO CC(C)(C)OC(=O)N[C@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257707 909444343 /nfs/dbraw/zinc/44/43/43/909444343.db2.gz GGCMTLUDCQARTO-HOTGVXAUSA-N 1 3 393.494 3.544 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)CC1 ZINC001180165201 910002979 /nfs/dbraw/zinc/00/29/79/910002979.db2.gz FDVLWDYDDPATMX-UHFFFAOYSA-N 1 3 397.510 3.622 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)CC1 ZINC001180165201 910002989 /nfs/dbraw/zinc/00/29/89/910002989.db2.gz FDVLWDYDDPATMX-UHFFFAOYSA-N 1 3 397.510 3.622 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000801922055 921629790 /nfs/dbraw/zinc/62/97/90/921629790.db2.gz DVIYWTWGBKWBJX-PMACEKPBSA-N 1 3 379.589 3.974 20 0 GHADHO CCN1CCCC[C@H]1C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001181995115 911116899 /nfs/dbraw/zinc/11/68/99/911116899.db2.gz NQUSRIOBLXMHRI-QFIPXVFZSA-N 1 3 383.580 3.766 20 0 GHADHO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCCCN3CCc4ccccc4C3)c2)C1 ZINC001182338348 911506958 /nfs/dbraw/zinc/50/69/58/911506958.db2.gz DTUVIOSSOGDLIX-HSZRJFAPSA-N 1 3 391.559 3.674 20 0 GHADHO C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCCCN3CCc4ccccc4C3)c2)C1 ZINC001182338348 911506968 /nfs/dbraw/zinc/50/69/68/911506968.db2.gz DTUVIOSSOGDLIX-HSZRJFAPSA-N 1 3 391.559 3.674 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182855164 912081301 /nfs/dbraw/zinc/08/13/01/912081301.db2.gz NCNKHAWOSAHOJM-FYYLOGMGSA-N 1 3 381.568 3.538 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182855164 912081317 /nfs/dbraw/zinc/08/13/17/912081317.db2.gz NCNKHAWOSAHOJM-FYYLOGMGSA-N 1 3 381.568 3.538 20 0 GHADHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000647343734 915164269 /nfs/dbraw/zinc/16/42/69/915164269.db2.gz AYBUEZAUDVEHIM-DBVUQKKJSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000647343734 915164273 /nfs/dbraw/zinc/16/42/73/915164273.db2.gz AYBUEZAUDVEHIM-DBVUQKKJSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000647343963 915164691 /nfs/dbraw/zinc/16/46/91/915164691.db2.gz GQOPYOCIPBGCAM-WGGBDISSSA-N 1 3 392.547 3.967 20 0 GHADHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000647343963 915164696 /nfs/dbraw/zinc/16/46/96/915164696.db2.gz GQOPYOCIPBGCAM-WGGBDISSSA-N 1 3 392.547 3.967 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647344375 915167547 /nfs/dbraw/zinc/16/75/47/915167547.db2.gz PFNCKRLDXYGPHT-ZBCONREDSA-N 1 3 377.576 3.832 20 0 GHADHO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Br)c1OC ZINC000647977917 915460552 /nfs/dbraw/zinc/46/05/52/915460552.db2.gz JSYOHYMEDRXVQR-GJZGRUSLSA-N 1 3 397.357 3.678 20 0 GHADHO Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(OCC[NH+](C)C)c1 ZINC000649754039 916380285 /nfs/dbraw/zinc/38/02/85/916380285.db2.gz ASPLTGPESHZGBZ-CABCVRRESA-N 1 3 388.430 3.622 20 0 GHADHO CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000362032558 917043304 /nfs/dbraw/zinc/04/33/04/917043304.db2.gz NOHPODZJWHPUCQ-HTAPYJJXSA-N 1 3 381.520 3.776 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)cc1CN1CCCCC1 ZINC000775386694 917328856 /nfs/dbraw/zinc/32/88/56/917328856.db2.gz FTCLMTNHNACMAT-MRXNPFEDSA-N 1 3 387.490 3.826 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000653113484 918128678 /nfs/dbraw/zinc/12/86/78/918128678.db2.gz CVZQWCYLMBMXHT-AEFFLSMTSA-N 1 3 385.474 3.594 20 0 GHADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3Br)cc2)CC1 ZINC000509459315 918391961 /nfs/dbraw/zinc/39/19/61/918391961.db2.gz KLWYJBVPZGVBLQ-UHFFFAOYSA-N 1 3 389.337 3.662 20 0 GHADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297419704 919318963 /nfs/dbraw/zinc/31/89/63/919318963.db2.gz YXPLFNWWDDGOHE-DHIUTWEWSA-N 1 3 398.595 3.523 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000297644603 919532255 /nfs/dbraw/zinc/53/22/55/919532255.db2.gz ZJHOQHGTMRREEU-UHFFFAOYSA-N 1 3 386.584 3.559 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000902503258 922243216 /nfs/dbraw/zinc/24/32/16/922243216.db2.gz HWEQGTUEOUZEQA-NSXLHWASSA-N 1 3 393.531 3.866 20 0 GHADHO Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902504256 922244406 /nfs/dbraw/zinc/24/44/06/922244406.db2.gz NFXLWSOTWKOAJC-KPDCDPCYSA-N 1 3 379.504 3.558 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)CC1 ZINC000412011221 927006191 /nfs/dbraw/zinc/00/61/91/927006191.db2.gz SUSRYBQKMHMMIC-QHCPKHFHSA-N 1 3 387.612 3.676 20 0 GHADHO C[NH+](C)CCOc1cccc(NC(=O)c2cccc(CN3CCCCC3)c2)c1 ZINC000413286793 928398368 /nfs/dbraw/zinc/39/83/68/928398368.db2.gz ZUQFIKFPZDMVGE-UHFFFAOYSA-N 1 3 381.520 3.865 20 0 GHADHO CN1CC[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000759534230 930395466 /nfs/dbraw/zinc/39/54/66/930395466.db2.gz JPKQKDXLYKBYJZ-XABBQPORSA-N 1 3 384.568 3.528 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)N2CCCC2)cc1 ZINC000470733013 930866710 /nfs/dbraw/zinc/86/67/10/930866710.db2.gz MNQJBJDNVPYLAC-GMAHTHKFSA-N 1 3 398.595 3.505 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)N2CCCC2)cc1 ZINC000470733013 930866718 /nfs/dbraw/zinc/86/67/18/930866718.db2.gz MNQJBJDNVPYLAC-GMAHTHKFSA-N 1 3 398.595 3.505 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739458 930874130 /nfs/dbraw/zinc/87/41/30/930874130.db2.gz BBYXDSAVXTXUIK-UYAOXDASSA-N 1 3 392.613 3.504 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739458 930874134 /nfs/dbraw/zinc/87/41/34/930874134.db2.gz BBYXDSAVXTXUIK-UYAOXDASSA-N 1 3 392.613 3.504 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000557259029 931304764 /nfs/dbraw/zinc/30/47/64/931304764.db2.gz HTLVQNCAWCKYJO-WIYYLYMNSA-N 1 3 381.520 3.667 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000557259029 931304768 /nfs/dbraw/zinc/30/47/68/931304768.db2.gz HTLVQNCAWCKYJO-WIYYLYMNSA-N 1 3 381.520 3.667 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000558416481 931991129 /nfs/dbraw/zinc/99/11/29/931991129.db2.gz WJKYYNOBYYLIGR-UHFFFAOYSA-N 1 3 389.515 3.632 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000777610870 932354095 /nfs/dbraw/zinc/35/40/95/932354095.db2.gz PQMPAMNCUQQFDE-RDPSFJRHSA-N 1 3 378.564 3.761 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000777610870 932354100 /nfs/dbraw/zinc/35/41/00/932354100.db2.gz PQMPAMNCUQQFDE-RDPSFJRHSA-N 1 3 378.564 3.761 20 0 GHADHO CC(C)(C)OC(=O)N(CCNC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000798272992 932586107 /nfs/dbraw/zinc/58/61/07/932586107.db2.gz OBIHYDMMUVZAJS-UHFFFAOYSA-N 1 3 387.568 3.683 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531008 933315391 /nfs/dbraw/zinc/31/53/91/933315391.db2.gz VYJGSRFODIGAHU-WDUKFBBWSA-N 1 3 385.533 3.813 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531008 933315402 /nfs/dbraw/zinc/31/54/02/933315402.db2.gz VYJGSRFODIGAHU-WDUKFBBWSA-N 1 3 385.533 3.813 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001116288459 933459248 /nfs/dbraw/zinc/45/92/48/933459248.db2.gz DVTGXVQJERARTH-HSZRJFAPSA-N 1 3 379.548 3.746 20 0 GHADHO CCCCN(CC)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1ccccc1 ZINC001220803174 1032127781 /nfs/dbraw/zinc/12/77/81/1032127781.db2.gz CKUNHJCTHAUREH-SQNIBIBYSA-N 1 3 385.474 3.506 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1c(Cl)ccc(Cl)c1Cl ZINC001220816720 1032136682 /nfs/dbraw/zinc/13/66/82/1032136682.db2.gz XMTRWFZCUULNNM-AWEZNQCLSA-N 1 3 380.747 3.759 20 0 GHADHO C[C@H](COc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)Oc1ccccc1 ZINC001227165472 1032303041 /nfs/dbraw/zinc/30/30/41/1032303041.db2.gz SOXDIODDBWJAHD-LJQANCHMSA-N 1 3 399.579 3.718 20 0 GHADHO CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001227447855 1032424280 /nfs/dbraw/zinc/42/42/80/1032424280.db2.gz WIPNAQIAXPRQSN-SFTDATJTSA-N 1 3 388.600 3.659 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)N(C)C)cc1 ZINC001221537082 1032452844 /nfs/dbraw/zinc/45/28/44/1032452844.db2.gz IIXQCBATWYTEGP-JOCHJYFZSA-N 1 3 388.600 3.655 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001221794398 1032537437 /nfs/dbraw/zinc/53/74/37/1032537437.db2.gz LNJDIUHWTZOKAJ-CEMLEFRQSA-N 1 3 386.584 3.603 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001221794398 1032537445 /nfs/dbraw/zinc/53/74/45/1032537445.db2.gz LNJDIUHWTZOKAJ-CEMLEFRQSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H]1CN(Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@]1(O)C(F)(F)F ZINC001204263241 1032706598 /nfs/dbraw/zinc/70/65/98/1032706598.db2.gz IQSJCYUHNHDUFV-QFBILLFUSA-N 1 3 388.474 3.542 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001204271115 1032714435 /nfs/dbraw/zinc/71/44/35/1032714435.db2.gz DZVAYFVRORUOAO-LJQANCHMSA-N 1 3 376.541 3.571 20 0 GHADHO Cc1ccccc1[C@H](OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000564858223 1019119841 /nfs/dbraw/zinc/11/98/41/1019119841.db2.gz ASQVIFDJBIACLS-KYBKRXRWSA-N 1 3 394.559 3.677 20 0 GHADHO Cc1ccccc1[C@H](OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000564858223 1019119845 /nfs/dbraw/zinc/11/98/45/1019119845.db2.gz ASQVIFDJBIACLS-KYBKRXRWSA-N 1 3 394.559 3.677 20 0 GHADHO CC[N@H+](Cc1ccc(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)cc1)C1CC1 ZINC000579063581 1020385816 /nfs/dbraw/zinc/38/58/16/1020385816.db2.gz MCFISZNTXCIIID-KDURUIRLSA-N 1 3 379.508 3.576 20 0 GHADHO CC[N@@H+](Cc1ccc(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)cc1)C1CC1 ZINC000579063581 1020385830 /nfs/dbraw/zinc/38/58/30/1020385830.db2.gz MCFISZNTXCIIID-KDURUIRLSA-N 1 3 379.508 3.576 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140334596 1021434345 /nfs/dbraw/zinc/43/43/45/1021434345.db2.gz RJCYHLUFGCTCOS-FYYLOGMGSA-N 1 3 397.588 3.990 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140334596 1021434352 /nfs/dbraw/zinc/43/43/52/1021434352.db2.gz RJCYHLUFGCTCOS-FYYLOGMGSA-N 1 3 397.588 3.990 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCCC[N@@H+](C)C1CC1 ZINC000835061602 1021835602 /nfs/dbraw/zinc/83/56/02/1021835602.db2.gz IHBONBPQHMTEBI-UHFFFAOYSA-N 1 3 378.923 3.996 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCCC[N@H+](C)C1CC1 ZINC000835061602 1021835621 /nfs/dbraw/zinc/83/56/21/1021835621.db2.gz IHBONBPQHMTEBI-UHFFFAOYSA-N 1 3 378.923 3.996 20 0 GHADHO Cn1cnc2ccc(CN3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC001140740486 1022399338 /nfs/dbraw/zinc/39/93/38/1022399338.db2.gz NPHXYXARSIGZNC-LNGMVNIQSA-N 1 3 376.548 3.968 20 0 GHADHO Cn1cnc2ccc(CN3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC001140740486 1022399353 /nfs/dbraw/zinc/39/93/53/1022399353.db2.gz NPHXYXARSIGZNC-LNGMVNIQSA-N 1 3 376.548 3.968 20 0 GHADHO Brc1cc(CN2CCCC3(CC[NH2+]CC3)C2)ccc1-n1cccn1 ZINC001204741829 1033058263 /nfs/dbraw/zinc/05/82/63/1033058263.db2.gz CRZOQRPCNZOPTA-UHFFFAOYSA-N 1 3 389.341 3.600 20 0 GHADHO COc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)cc1N ZINC001140897759 1022829186 /nfs/dbraw/zinc/82/91/86/1022829186.db2.gz YYWPWYLXSFAEMX-OAQYLSRUSA-N 1 3 395.547 3.533 20 0 GHADHO Cc1cccc(CN(C)Cc2cc(Br)ccc2N2CC[NH2+]CC2)c1 ZINC001204848593 1033119871 /nfs/dbraw/zinc/11/98/71/1033119871.db2.gz OHRCTVQHZLLEBW-UHFFFAOYSA-N 1 3 388.353 3.799 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC001138138970 1024208638 /nfs/dbraw/zinc/20/86/38/1024208638.db2.gz YWSYQZUAUXYMCQ-FQEVSTJZSA-N 1 3 383.536 3.762 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC001138138970 1024208653 /nfs/dbraw/zinc/20/86/53/1024208653.db2.gz YWSYQZUAUXYMCQ-FQEVSTJZSA-N 1 3 383.536 3.762 20 0 GHADHO C[C@@H](CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001138145267 1024228168 /nfs/dbraw/zinc/22/81/68/1024228168.db2.gz SKHZHZPMRQYLCN-HNAYVOBHSA-N 1 3 381.511 3.584 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC001228956128 1033197888 /nfs/dbraw/zinc/19/78/88/1033197888.db2.gz WLKIYEROLGMHKF-GOSISDBHSA-N 1 3 392.613 3.573 20 0 GHADHO c1cnc(Oc2cccc(CN3CCC(COCC[NH+]4CCCC4)CC3)c2)nc1 ZINC001138616931 1025109206 /nfs/dbraw/zinc/10/92/06/1025109206.db2.gz GWRJOBMIDNGJMW-UHFFFAOYSA-N 1 3 396.535 3.593 20 0 GHADHO COc1ccc(-c2cccc(CN3CCN(CC4CC[NH+](C)CC4)CC3)c2)cc1 ZINC001138617174 1025110120 /nfs/dbraw/zinc/11/01/20/1025110120.db2.gz AACOGOFSVYPAKZ-UHFFFAOYSA-N 1 3 393.575 3.822 20 0 GHADHO CCC(=O)Oc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001138960606 1025660925 /nfs/dbraw/zinc/66/09/25/1025660925.db2.gz QZLMJWHPMZDSSM-SZPZYZBQSA-N 1 3 378.516 3.874 20 0 GHADHO CCC(=O)Oc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001138960606 1025660939 /nfs/dbraw/zinc/66/09/39/1025660939.db2.gz QZLMJWHPMZDSSM-SZPZYZBQSA-N 1 3 378.516 3.874 20 0 GHADHO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001163902357 1026355022 /nfs/dbraw/zinc/35/50/22/1026355022.db2.gz NRZIODVZDJIINM-HXUWFJFHSA-N 1 3 380.879 3.656 20 0 GHADHO C[NH+](C)C1CCN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CC1 ZINC001139515605 1026372954 /nfs/dbraw/zinc/37/29/54/1026372954.db2.gz TVOGMFKBKJSBFM-UHFFFAOYSA-N 1 3 392.591 3.535 20 0 GHADHO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc(Cl)nc2c1CCNC2 ZINC001165182498 1026651383 /nfs/dbraw/zinc/65/13/83/1026651383.db2.gz NYVRCAGARXTVRD-IERDGZPVSA-N 1 3 384.955 3.728 20 0 GHADHO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc(Cl)nc2c1CCNC2 ZINC001165182498 1026651386 /nfs/dbraw/zinc/65/13/86/1026651386.db2.gz NYVRCAGARXTVRD-IERDGZPVSA-N 1 3 384.955 3.728 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840044179 1027110392 /nfs/dbraw/zinc/11/03/92/1027110392.db2.gz VRZIZKXSHXIFHH-UHFFFAOYSA-N 1 3 394.498 3.675 20 0 GHADHO COc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc2c1OCO2 ZINC001209718895 1027114538 /nfs/dbraw/zinc/11/45/38/1027114538.db2.gz RDOLPNFZKRXPKD-LEWJYISDSA-N 1 3 394.515 3.768 20 0 GHADHO COc1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc2c1OCO2 ZINC001209718895 1027114547 /nfs/dbraw/zinc/11/45/47/1027114547.db2.gz RDOLPNFZKRXPKD-LEWJYISDSA-N 1 3 394.515 3.768 20 0 GHADHO COCC1(CNCc2c(C)nn(-c3cccc(Cl)c3)c2Cl)CC[NH2+]CC1 ZINC000841068807 1028086798 /nfs/dbraw/zinc/08/67/98/1028086798.db2.gz WUGHBZCPMVLFSL-UHFFFAOYSA-N 1 3 397.350 3.593 20 0 GHADHO C[NH+](C)CC1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCCCC1 ZINC001143019764 1029786195 /nfs/dbraw/zinc/78/61/95/1029786195.db2.gz DHEPMTAASJFXKC-UHFFFAOYSA-N 1 3 385.596 3.666 20 0 GHADHO COc1cc(CN2CCC3(CC([NH3+])C3)CC2)c(OCc2ccccc2)cc1OC ZINC001222211007 1030008820 /nfs/dbraw/zinc/00/88/20/1030008820.db2.gz CVFQOPOVOAKSCS-UHFFFAOYSA-N 1 3 396.531 3.986 20 0 GHADHO Cc1cc(I)c(CN2CCC3(CC([NH3+])C3)CC2)cc1C ZINC001222216175 1030011470 /nfs/dbraw/zinc/01/14/70/1030011470.db2.gz YPQKQGITVUQQJB-UHFFFAOYSA-N 1 3 384.305 3.611 20 0 GHADHO CCOC(=O)[C@@H]1CC2(CN1CCCc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC001222215748 1030012167 /nfs/dbraw/zinc/01/21/67/1030012167.db2.gz KSKFZFAHXMSFFS-SFHVURJKSA-N 1 3 398.469 3.645 20 0 GHADHO CCOc1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC001461605681 1069637110 /nfs/dbraw/zinc/63/71/10/1069637110.db2.gz KVBAHOSFQVGXCZ-DLBZAZTESA-N 1 3 397.357 3.963 20 0 GHADHO CCOc1cc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC001461605681 1069637115 /nfs/dbraw/zinc/63/71/15/1069637115.db2.gz KVBAHOSFQVGXCZ-DLBZAZTESA-N 1 3 397.357 3.963 20 0 GHADHO N[C@@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C1CC[NH2+]CC1 ZINC001218940961 1031167471 /nfs/dbraw/zinc/16/74/71/1031167471.db2.gz KEQHAQFSHGYNBP-GOSISDBHSA-N 1 3 393.409 3.763 20 0 GHADHO CN1Cc2c(NC(=O)C(F)(F)C3CC[NH2+]CC3)cccc2[C@H](c2ccccc2)C1 ZINC001219046881 1031228073 /nfs/dbraw/zinc/22/80/73/1031228073.db2.gz LFNIHOQOKFKGPU-IBGZPJMESA-N 1 3 399.485 3.837 20 0 GHADHO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)c1cc2c(s1)CNCC2 ZINC001219489829 1031455430 /nfs/dbraw/zinc/45/54/30/1031455430.db2.gz WKILIBWSIDVSDM-HXUWFJFHSA-N 1 3 395.572 3.989 20 0 GHADHO C[NH+](C)Cc1cccc(CNC(=O)C[C@@H](N)c2cccc(Cl)c2Cl)c1 ZINC001219943354 1031710171 /nfs/dbraw/zinc/71/01/71/1031710171.db2.gz FUIXOLNRLMKZEU-QGZVFWFLSA-N 1 3 380.319 3.761 20 0 GHADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc1 ZINC001220538375 1031981997 /nfs/dbraw/zinc/98/19/97/1031981997.db2.gz MJPIHFPLMAGWIX-HUUFRCNWSA-N 1 3 397.607 3.610 20 0 GHADHO [NH3+]CCN(C(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1)C12CC3CC(CC(C3)C1)C2 ZINC001220538293 1031982198 /nfs/dbraw/zinc/98/21/98/1031982198.db2.gz JFVUHXWVSSAECN-QTAOJDBGSA-N 1 3 381.564 3.626 20 0 GHADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC001205446409 1033414256 /nfs/dbraw/zinc/41/42/56/1033414256.db2.gz KHBCDMAUTRFVFY-ZSLQJQOZSA-N 1 3 399.579 3.886 20 0 GHADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC001205446405 1033414847 /nfs/dbraw/zinc/41/48/47/1033414847.db2.gz KHBCDMAUTRFVFY-PMAMDCHESA-N 1 3 399.579 3.886 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CC[C@@H](C)[C@@H](C[NH3+])CC3)c2n1 ZINC001205638511 1033505033 /nfs/dbraw/zinc/50/50/33/1033505033.db2.gz OTFAGFQAKGDPDP-ZIAGYGMSSA-N 1 3 392.341 3.813 20 0 GHADHO C[C@H]1CN(Cc2cc(OC(F)F)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206024128 1033692062 /nfs/dbraw/zinc/69/20/62/1033692062.db2.gz HXHUVTIDHHYNSZ-NWDGAFQWSA-N 1 3 377.273 3.857 20 0 GHADHO N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@@H]1F ZINC001206197806 1033760519 /nfs/dbraw/zinc/76/05/19/1033760519.db2.gz JKXDDDUKRFPZNJ-HOTGVXAUSA-N 1 3 383.389 3.908 20 0 GHADHO N[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@@H]1F ZINC001206197806 1033760532 /nfs/dbraw/zinc/76/05/32/1033760532.db2.gz JKXDDDUKRFPZNJ-HOTGVXAUSA-N 1 3 383.389 3.908 20 0 GHADHO COc1ccc(CN(c2ncccc2CN2CCCC2)C2CC[NH2+]CC2)cc1F ZINC001158010844 1033866926 /nfs/dbraw/zinc/86/69/26/1033866926.db2.gz ONXSUJREDXZORH-UHFFFAOYSA-N 1 3 398.526 3.584 20 0 GHADHO O=C(NCCN1CCCCC1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001206719920 1033956697 /nfs/dbraw/zinc/95/66/97/1033956697.db2.gz ZXEKXBUEOJGIAV-UHFFFAOYSA-N 1 3 390.597 3.872 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001207092305 1034088187 /nfs/dbraw/zinc/08/81/87/1034088187.db2.gz DHSUYSNPFDYGNJ-SIKLNZKXSA-N 1 3 380.532 3.906 20 0 GHADHO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@H]1CN(Cc3ccccc3)C[C@@H]1C)C2 ZINC001207102371 1034093679 /nfs/dbraw/zinc/09/36/79/1034093679.db2.gz OIKMNBNQKWLKSE-AXMVRHARSA-N 1 3 384.564 3.856 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207245121 1034207804 /nfs/dbraw/zinc/20/78/04/1034207804.db2.gz RNCGQTYOUPZMQT-YPAWHYETSA-N 1 3 399.579 3.697 20 0 GHADHO C[NH+](C)CC(C)(C)CN1CCC2(C=C(C(=O)N3CCCC3)c3ccccc32)CC1 ZINC001207281426 1034235412 /nfs/dbraw/zinc/23/54/12/1034235412.db2.gz CSJZHMYEIKFSAF-UHFFFAOYSA-N 1 3 395.591 3.627 20 0 GHADHO COc1ccccc1CN1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207291119 1034242715 /nfs/dbraw/zinc/24/27/15/1034242715.db2.gz KDEHKHGLZJZVLI-UHFFFAOYSA-N 1 3 393.575 3.725 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC001230859239 1034255398 /nfs/dbraw/zinc/25/53/98/1034255398.db2.gz UUVWBBSNFWHFIR-BVSLBCMMSA-N 1 3 388.600 3.545 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC001230859239 1034255404 /nfs/dbraw/zinc/25/54/04/1034255404.db2.gz UUVWBBSNFWHFIR-BVSLBCMMSA-N 1 3 388.600 3.545 20 0 GHADHO [NH3+]C1CCN(c2ncccc2NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001159262728 1034510062 /nfs/dbraw/zinc/51/00/62/1034510062.db2.gz XCHURFGXSJHJEE-YADHBBJMSA-N 1 3 389.547 3.742 20 0 GHADHO Cc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc(C(C)C)n1 ZINC001159467601 1034610009 /nfs/dbraw/zinc/61/00/09/1034610009.db2.gz PPSQBAPJSPMSDW-UHFFFAOYSA-N 1 3 377.536 3.818 20 0 GHADHO [NH3+]C1CCN(c2cccc(F)c2NC2=CCN(Cc3ccccc3)CC2)CC1 ZINC001160072074 1034849534 /nfs/dbraw/zinc/84/95/34/1034849534.db2.gz QTGOLRCTWFHZIA-UHFFFAOYSA-N 1 3 380.511 3.955 20 0 GHADHO c1ccc2c(c1)cc(N1CCCC1)nc2NCc1ccccc1N1CC[NH2+]CC1 ZINC001160111834 1034865980 /nfs/dbraw/zinc/86/59/80/1034865980.db2.gz CTPXHVZTTMBAFT-UHFFFAOYSA-N 1 3 387.531 3.857 20 0 GHADHO COc1ccc(CC[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)cc1OC ZINC001208758583 1035003266 /nfs/dbraw/zinc/00/32/66/1035003266.db2.gz ZWWKKVJBRNBVRY-UHFFFAOYSA-N 1 3 384.520 3.827 20 0 GHADHO Brc1ccc2c(C3CN(Cc4cc5c[nH+]ccc5[nH]4)C3)ncn2c1 ZINC001232016218 1035045144 /nfs/dbraw/zinc/04/51/44/1035045144.db2.gz VCHNLTGQSSLXTN-UHFFFAOYSA-N 1 3 382.265 3.573 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CCCCN1C1CCCC1 ZINC001160737973 1035049289 /nfs/dbraw/zinc/04/92/89/1035049289.db2.gz APWADAPUJDGFHD-FCHUYYIVSA-N 1 3 375.601 3.944 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCCCN1C1CCCC1 ZINC001160737973 1035049298 /nfs/dbraw/zinc/04/92/98/1035049298.db2.gz APWADAPUJDGFHD-FCHUYYIVSA-N 1 3 375.601 3.944 20 0 GHADHO C[C@@H]1CN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208930777 1035093691 /nfs/dbraw/zinc/09/36/91/1035093691.db2.gz DPSZMZSRBHELOM-RLLQIKCJSA-N 1 3 384.486 3.924 20 0 GHADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208930777 1035093699 /nfs/dbraw/zinc/09/36/99/1035093699.db2.gz DPSZMZSRBHELOM-RLLQIKCJSA-N 1 3 384.486 3.924 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940544 1035109408 /nfs/dbraw/zinc/10/94/08/1035109408.db2.gz DKAUHBGUNYZJIF-ZJSXRUAMSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940544 1035109413 /nfs/dbraw/zinc/10/94/13/1035109413.db2.gz DKAUHBGUNYZJIF-ZJSXRUAMSA-N 1 3 399.579 3.984 20 0 GHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942625 1035112355 /nfs/dbraw/zinc/11/23/55/1035112355.db2.gz QPAHZJWQQSFBNK-LEWJYISDSA-N 1 3 387.568 3.840 20 0 GHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942625 1035112360 /nfs/dbraw/zinc/11/23/60/1035112360.db2.gz QPAHZJWQQSFBNK-LEWJYISDSA-N 1 3 387.568 3.840 20 0 GHADHO c1csc(CN2C[C@@H]3C[N@H+](C[C@@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)c1 ZINC001208943892 1035113869 /nfs/dbraw/zinc/11/38/69/1035113869.db2.gz WFNMEPNXTONERI-VSKRKVRLSA-N 1 3 381.589 3.634 20 0 GHADHO c1csc(CN2C[C@@H]3C[N@@H+](C[C@@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)c1 ZINC001208943892 1035113872 /nfs/dbraw/zinc/11/38/72/1035113872.db2.gz WFNMEPNXTONERI-VSKRKVRLSA-N 1 3 381.589 3.634 20 0 GHADHO c1nc(-c2cccnc2)oc1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001232132322 1035114421 /nfs/dbraw/zinc/11/44/21/1035114421.db2.gz QJACYCNAGGFZRO-UHFFFAOYSA-N 1 3 389.503 3.620 20 0 GHADHO c1nc(-c2cccnc2)oc1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001232132322 1035114423 /nfs/dbraw/zinc/11/44/23/1035114423.db2.gz QJACYCNAGGFZRO-UHFFFAOYSA-N 1 3 389.503 3.620 20 0 GHADHO O=C(c1ccccc1)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208945569 1035117997 /nfs/dbraw/zinc/11/79/97/1035117997.db2.gz RCCWXUJVKSBKJW-QHCPKHFHSA-N 1 3 391.559 3.747 20 0 GHADHO O=C(c1ccccc1)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208945569 1035118000 /nfs/dbraw/zinc/11/80/00/1035118000.db2.gz RCCWXUJVKSBKJW-QHCPKHFHSA-N 1 3 391.559 3.747 20 0 GHADHO c1ccc(CN2CC[C@H](C[N@@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001208960165 1035131254 /nfs/dbraw/zinc/13/12/54/1035131254.db2.gz USRRMYFILXTILA-ISJGIBHGSA-N 1 3 375.560 3.715 20 0 GHADHO c1ccc(CN2CC[C@H](C[N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001208960165 1035131263 /nfs/dbraw/zinc/13/12/63/1035131263.db2.gz USRRMYFILXTILA-ISJGIBHGSA-N 1 3 375.560 3.715 20 0 GHADHO CCCC[NH+]1CCC(N(C)CC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001209016495 1035151353 /nfs/dbraw/zinc/15/13/53/1035151353.db2.gz XBNACFPJFNEYLF-IBGZPJMESA-N 1 3 397.604 3.945 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](Nc3ncc4c(n3)CCNC4)[C@H](c3ccccc3)C2)cc1 ZINC001161458567 1035235196 /nfs/dbraw/zinc/23/51/96/1035235196.db2.gz VHSBONQOSMVTIV-UPVQGACJSA-N 1 3 399.542 3.593 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](Nc3ncc4c(n3)CCNC4)[C@H](c3ccccc3)C2)cc1 ZINC001161458567 1035235200 /nfs/dbraw/zinc/23/52/00/1035235200.db2.gz VHSBONQOSMVTIV-UPVQGACJSA-N 1 3 399.542 3.593 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(-c2ccc(F)c(CN3CCCCC3)c2)cc1 ZINC001241771239 1035690371 /nfs/dbraw/zinc/69/03/71/1035690371.db2.gz FGUGRUJUWYVHMI-UHFFFAOYSA-N 1 3 383.511 3.770 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc3n1CCC3)CC2 ZINC001248822419 1036184738 /nfs/dbraw/zinc/18/47/38/1036184738.db2.gz KQQPUFFVMMKWGB-HSZRJFAPSA-N 1 3 379.548 3.690 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc3n1CCC3)CC2 ZINC001248822419 1036184745 /nfs/dbraw/zinc/18/47/45/1036184745.db2.gz KQQPUFFVMMKWGB-HSZRJFAPSA-N 1 3 379.548 3.690 20 0 GHADHO COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001244289550 1036463636 /nfs/dbraw/zinc/46/36/36/1036463636.db2.gz TVCCAPXPSQBUAS-UHFFFAOYSA-N 1 3 383.511 3.897 20 0 GHADHO CC(C)(C)[C@]1(C[NH2+]CCCCCS(C)(=O)=O)CCN(Cc2ccccc2)C1 ZINC001462127522 1070019000 /nfs/dbraw/zinc/01/90/00/1070019000.db2.gz LIICZBTUJQSELF-QFIPXVFZSA-N 1 3 394.625 3.729 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC001245981244 1037105810 /nfs/dbraw/zinc/10/58/10/1037105810.db2.gz BYWZNXQLPQWLAT-XZOQPEGZSA-N 1 3 398.453 3.778 20 0 GHADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCCc1ccc(-c2ccccc2)cc1 ZINC001245988284 1037109644 /nfs/dbraw/zinc/10/96/44/1037109644.db2.gz OSIHPMCQEIGQBN-BJKOFHAPSA-N 1 3 396.481 3.695 20 0 GHADHO COCC[N@H+](C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C1CCNCC1 ZINC001246044031 1037156781 /nfs/dbraw/zinc/15/67/81/1037156781.db2.gz FDVGPBMORNYUNW-QFIPXVFZSA-N 1 3 397.003 3.750 20 0 GHADHO COCC[N@@H+](C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C1CCNCC1 ZINC001246044031 1037156797 /nfs/dbraw/zinc/15/67/97/1037156797.db2.gz FDVGPBMORNYUNW-QFIPXVFZSA-N 1 3 397.003 3.750 20 0 GHADHO COCCN(C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C1CC[NH2+]CC1 ZINC001246044031 1037156807 /nfs/dbraw/zinc/15/68/07/1037156807.db2.gz FDVGPBMORNYUNW-QFIPXVFZSA-N 1 3 397.003 3.750 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([NH2+]C2CCNCC2)CC1 ZINC001246071929 1037188347 /nfs/dbraw/zinc/18/83/47/1037188347.db2.gz DFSPEDYQIIXNRW-UHFFFAOYSA-N 1 3 397.357 3.549 20 0 GHADHO C[C@@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCNCC1(F)F ZINC001246218577 1037243246 /nfs/dbraw/zinc/24/32/46/1037243246.db2.gz BOSUSCPCCUIHGE-BURNTYAHSA-N 1 3 377.523 3.797 20 0 GHADHO CCC[NH2+]CCNC1CCC(OCOC)(c2ccc(Br)cc2)CC1 ZINC001246267068 1037265107 /nfs/dbraw/zinc/26/51/07/1037265107.db2.gz FIEGHMCANJGZDV-UHFFFAOYSA-N 1 3 399.373 3.797 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)[C@H]1CCNC2(CCC2)C1 ZINC001246283640 1037275677 /nfs/dbraw/zinc/27/56/77/1037275677.db2.gz WRVWHFUDFNUURK-GNBUJSLZSA-N 1 3 382.589 3.754 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@H]1CCNC2(CCC2)C1 ZINC001246283640 1037275696 /nfs/dbraw/zinc/27/56/96/1037275696.db2.gz WRVWHFUDFNUURK-GNBUJSLZSA-N 1 3 382.589 3.754 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246283640 1037275708 /nfs/dbraw/zinc/27/57/08/1037275708.db2.gz WRVWHFUDFNUURK-GNBUJSLZSA-N 1 3 382.589 3.754 20 0 GHADHO Fc1ccc(F)c(CN2CCC([NH2+][C@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246355382 1037312967 /nfs/dbraw/zinc/31/29/67/1037312967.db2.gz MPUHZVJAORIASP-GOTSBHOMSA-N 1 3 399.529 3.882 20 0 GHADHO Fc1ccc(F)c(CN2CCC([NH2+][C@@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246355384 1037313785 /nfs/dbraw/zinc/31/37/85/1037313785.db2.gz MPUHZVJAORIASP-PKTZIBPZSA-N 1 3 399.529 3.882 20 0 GHADHO COc1ccccc1CN1CC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246360816 1037320063 /nfs/dbraw/zinc/32/00/63/1037320063.db2.gz IILIUSYQZSXOGU-FUPPJEDESA-N 1 3 397.538 3.800 20 0 GHADHO CCOC(=O)CCc1ccc(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246363860 1037323911 /nfs/dbraw/zinc/32/39/11/1037323911.db2.gz TTXMTNWZRGNTJD-XZOQPEGZSA-N 1 3 380.532 3.635 20 0 GHADHO CCOC(=O)[C@H]1CC12CCC([NH2+]C1(Cc3ccccc3F)CCNCC1)CC2 ZINC001246380969 1037339093 /nfs/dbraw/zinc/33/90/93/1037339093.db2.gz LPAJQBCDCUGCPF-GSVIPDFHSA-N 1 3 388.527 3.592 20 0 GHADHO FC(F)(F)c1ccccc1C1([NH2+][C@H]2CCN[C@H](C(F)(F)F)C2)CCNCC1 ZINC001246453515 1037414217 /nfs/dbraw/zinc/41/42/17/1037414217.db2.gz WMYOZDPOWOOPRG-WFASDCNBSA-N 1 3 395.391 3.557 20 0 GHADHO N[C@H]1CN([C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246537391 1037471554 /nfs/dbraw/zinc/47/15/54/1037471554.db2.gz WGFWZEGMQHJWMT-AMGAHSPLSA-N 1 3 393.550 3.732 20 0 GHADHO N[C@H]1CN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246537391 1037471571 /nfs/dbraw/zinc/47/15/71/1037471571.db2.gz WGFWZEGMQHJWMT-AMGAHSPLSA-N 1 3 393.550 3.732 20 0 GHADHO COC(=O)CCC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246569786 1037483053 /nfs/dbraw/zinc/48/30/53/1037483053.db2.gz DPJIEGZUPMCHPR-DHIUTWEWSA-N 1 3 380.532 3.805 20 0 GHADHO COC(=O)CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246569786 1037483063 /nfs/dbraw/zinc/48/30/63/1037483063.db2.gz DPJIEGZUPMCHPR-DHIUTWEWSA-N 1 3 380.532 3.805 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@@H](CN)[C@H]2C)CC1 ZINC001246566488 1037484606 /nfs/dbraw/zinc/48/46/06/1037484606.db2.gz RRWTXNOVSHOKGT-QOXJJDPVSA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@@H](CN)[C@H]2C)CC1 ZINC001246566488 1037484622 /nfs/dbraw/zinc/48/46/22/1037484622.db2.gz RRWTXNOVSHOKGT-QOXJJDPVSA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246629495 1037516026 /nfs/dbraw/zinc/51/60/26/1037516026.db2.gz OEVBYMPLSQYAGU-NJEKYYFSSA-N 1 3 390.955 3.769 20 0 GHADHO C[C@@H]1C[C@@H](N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)CN1Cc1ccccc1 ZINC001246637141 1037522797 /nfs/dbraw/zinc/52/27/97/1037522797.db2.gz OQUJWCOBTMALDF-QRQLOZEOSA-N 1 3 381.486 3.798 20 0 GHADHO CC(C)[C@@H]1C[C@@H](N2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756133 1037599742 /nfs/dbraw/zinc/59/97/42/1037599742.db2.gz MXMNKLNRTSFPLO-VABKMULXSA-N 1 3 389.559 3.521 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CCC3(C[C@@H](CC(=O)NC)c4ccccc43)CC2)CC[NH2+]1 ZINC001246768300 1037610083 /nfs/dbraw/zinc/61/00/83/1037610083.db2.gz UBFIYLMQRKIODS-NJYVYQBISA-N 1 3 397.607 3.954 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H](CC(=O)NC)c4ccccc43)CC2)CCN1 ZINC001246768300 1037610095 /nfs/dbraw/zinc/61/00/95/1037610095.db2.gz UBFIYLMQRKIODS-NJYVYQBISA-N 1 3 397.607 3.954 20 0 GHADHO C[C@@H]1C[C@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[N@@H+]1Cc1ccccc1 ZINC001246831545 1037663431 /nfs/dbraw/zinc/66/34/31/1037663431.db2.gz CVPNEBWXXCNRQP-OYYPCOLYSA-N 1 3 381.539 3.852 20 0 GHADHO C[C@@H]1C[C@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[N@H+]1Cc1ccccc1 ZINC001246831545 1037663435 /nfs/dbraw/zinc/66/34/35/1037663435.db2.gz CVPNEBWXXCNRQP-OYYPCOLYSA-N 1 3 381.539 3.852 20 0 GHADHO CO[C@H]1CCC[C@H]([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)C1 ZINC001246937363 1037741353 /nfs/dbraw/zinc/74/13/53/1037741353.db2.gz LNLSMGZBNXZODY-OALUTQOASA-N 1 3 381.358 3.961 20 0 GHADHO CO[C@H]1CCC[C@H]([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)C1 ZINC001246937363 1037741369 /nfs/dbraw/zinc/74/13/69/1037741369.db2.gz LNLSMGZBNXZODY-OALUTQOASA-N 1 3 381.358 3.961 20 0 GHADHO O=C(N(c1ccccc1)c1ccccc1)N1CCN([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246950948 1037752597 /nfs/dbraw/zinc/75/25/97/1037752597.db2.gz XLGPSIHNZSFJOE-JHDGKUDLSA-N 1 3 390.531 3.560 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246956763 1037769293 /nfs/dbraw/zinc/76/92/93/1037769293.db2.gz UUYKQUSTSLFYHG-LAUBAEHRSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246956763 1037769321 /nfs/dbraw/zinc/76/93/21/1037769321.db2.gz UUYKQUSTSLFYHG-LAUBAEHRSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)c1cccc(C[N@H+]([C@@H](C)Cc2ccc(C)cc2)C2CCNCC2)c1 ZINC001246959880 1037777580 /nfs/dbraw/zinc/77/75/80/1037777580.db2.gz UFDAMSWUBDNEEH-IBGZPJMESA-N 1 3 380.532 3.967 20 0 GHADHO COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2ccc(C)cc2)C2CCNCC2)c1 ZINC001246959880 1037777602 /nfs/dbraw/zinc/77/76/02/1037777602.db2.gz UFDAMSWUBDNEEH-IBGZPJMESA-N 1 3 380.532 3.967 20 0 GHADHO COC(=O)c1cccc(CN([C@@H](C)Cc2ccc(C)cc2)C2CC[NH2+]CC2)c1 ZINC001246959880 1037777624 /nfs/dbraw/zinc/77/76/24/1037777624.db2.gz UFDAMSWUBDNEEH-IBGZPJMESA-N 1 3 380.532 3.967 20 0 GHADHO COC(=O)C1(C)CCC([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246966259 1037789162 /nfs/dbraw/zinc/78/91/62/1037789162.db2.gz VTXWUGDFBQVSDF-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)C1(C)CCC([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246966259 1037789180 /nfs/dbraw/zinc/78/91/80/1037789180.db2.gz VTXWUGDFBQVSDF-UHFFFAOYSA-N 1 3 376.516 3.810 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2cc(F)ccc2N)CC3)c1 ZINC001232509322 1038278986 /nfs/dbraw/zinc/27/89/86/1038278986.db2.gz FXORFYSEXKSLCI-UHFFFAOYSA-N 1 3 383.511 3.905 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2cc(F)ccc2N)CC3)c1 ZINC001232509322 1038278996 /nfs/dbraw/zinc/27/89/96/1038278996.db2.gz FXORFYSEXKSLCI-UHFFFAOYSA-N 1 3 383.511 3.905 20 0 GHADHO C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 ZINC001462340698 1070184834 /nfs/dbraw/zinc/18/48/34/1070184834.db2.gz GKTOGLCZIUZQLH-GOSISDBHSA-N 1 3 387.568 3.934 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1csc2ccccc21 ZINC001252931019 1039269042 /nfs/dbraw/zinc/26/90/42/1039269042.db2.gz GFSPKTXSOUWBBQ-HOTGVXAUSA-N 1 3 376.570 3.534 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1csc2ccccc21 ZINC001252931019 1039269054 /nfs/dbraw/zinc/26/90/54/1039269054.db2.gz GFSPKTXSOUWBBQ-HOTGVXAUSA-N 1 3 376.570 3.534 20 0 GHADHO O[C@]1(CN[C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948019 1039292466 /nfs/dbraw/zinc/29/24/66/1039292466.db2.gz IFNUOMCLYLDLIH-RPWUZVMVSA-N 1 3 398.522 3.520 20 0 GHADHO O[C@]1(CN[C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948019 1039292478 /nfs/dbraw/zinc/29/24/78/1039292478.db2.gz IFNUOMCLYLDLIH-RPWUZVMVSA-N 1 3 398.522 3.520 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001233739660 1039579668 /nfs/dbraw/zinc/57/96/68/1039579668.db2.gz JTQNGTSGLOMFDQ-OIBXWCBGSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001233739660 1039579672 /nfs/dbraw/zinc/57/96/72/1039579672.db2.gz JTQNGTSGLOMFDQ-OIBXWCBGSA-N 1 3 398.595 3.603 20 0 GHADHO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCN1C ZINC001253767085 1039801460 /nfs/dbraw/zinc/80/14/60/1039801460.db2.gz SQKGZQRCNGJNRX-FQEVSTJZSA-N 1 3 394.991 3.678 20 0 GHADHO COc1ccc(C2=CC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC001254042024 1039971201 /nfs/dbraw/zinc/97/12/01/1039971201.db2.gz PVARJJNBZDZWBV-UHFFFAOYSA-N 1 3 392.543 3.811 20 0 GHADHO COc1ccc(C2=CC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC001254042024 1039971205 /nfs/dbraw/zinc/97/12/05/1039971205.db2.gz PVARJJNBZDZWBV-UHFFFAOYSA-N 1 3 392.543 3.811 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]2C1 ZINC001254754826 1040514480 /nfs/dbraw/zinc/51/44/80/1040514480.db2.gz NWIDBMZIBVFMDM-VAMGGRTRSA-N 1 3 391.600 3.830 20 0 GHADHO [NH3+]C1(Cc2ccccc2C(F)(F)F)CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254940113 1040680337 /nfs/dbraw/zinc/68/03/37/1040680337.db2.gz JVODBMXEOZFZNN-HZPDHXFCSA-N 1 3 380.454 3.799 20 0 GHADHO OCC1(N[C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001255069957 1040763373 /nfs/dbraw/zinc/76/33/73/1040763373.db2.gz ROODOVOUBKFWAU-JBRSBNLGSA-N 1 3 376.544 3.866 20 0 GHADHO OCC1(N[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001255069957 1040763389 /nfs/dbraw/zinc/76/33/89/1040763389.db2.gz ROODOVOUBKFWAU-JBRSBNLGSA-N 1 3 376.544 3.866 20 0 GHADHO CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255140860 1040847104 /nfs/dbraw/zinc/84/71/04/1040847104.db2.gz RKSPTASNHLNSQY-VHJOFQCFSA-N 1 3 384.564 3.842 20 0 GHADHO CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255140860 1040847124 /nfs/dbraw/zinc/84/71/24/1040847124.db2.gz RKSPTASNHLNSQY-VHJOFQCFSA-N 1 3 384.564 3.842 20 0 GHADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365612 1040855842 /nfs/dbraw/zinc/85/58/42/1040855842.db2.gz OQHWXJBJTNEOMT-OPJGWUQDSA-N 1 3 392.543 3.847 20 0 GHADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365612 1040855858 /nfs/dbraw/zinc/85/58/58/1040855858.db2.gz OQHWXJBJTNEOMT-OPJGWUQDSA-N 1 3 392.543 3.847 20 0 GHADHO Cc1cncnc1O[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255149235 1040863933 /nfs/dbraw/zinc/86/39/33/1040863933.db2.gz GCHUPTKRBWRHBP-BJESRGMDSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cncnc1O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255149235 1040863950 /nfs/dbraw/zinc/86/39/50/1040863950.db2.gz GCHUPTKRBWRHBP-BJESRGMDSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1nccn1-c1ccccc1CN1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369372 1040868876 /nfs/dbraw/zinc/86/88/76/1040868876.db2.gz MGAYELBKDMWCJC-UKILVPOCSA-N 1 3 386.543 3.934 20 0 GHADHO Cc1cc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc(C)c1OCCO ZINC001235375564 1040885459 /nfs/dbraw/zinc/88/54/59/1040885459.db2.gz PVZXGIXEQIOOMM-UHFFFAOYSA-N 1 3 394.559 3.773 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001255196109 1040901324 /nfs/dbraw/zinc/90/13/24/1040901324.db2.gz DYKFMQUJUFBNCP-MZADTFQBSA-N 1 3 377.573 3.773 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432221 1040933031 /nfs/dbraw/zinc/93/30/31/1040933031.db2.gz RBLNRHFCPUJXJK-KGLIPLIRSA-N 1 3 377.330 3.537 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255381071 1040971999 /nfs/dbraw/zinc/97/19/99/1040971999.db2.gz OYRQSRMPBRYFAC-JTAQYXEDSA-N 1 3 385.552 3.640 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255381071 1040972007 /nfs/dbraw/zinc/97/20/07/1040972007.db2.gz OYRQSRMPBRYFAC-JTAQYXEDSA-N 1 3 385.552 3.640 20 0 GHADHO CCOC(=O)[C@H](CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391782 1040980668 /nfs/dbraw/zinc/98/06/68/1040980668.db2.gz TYNQCRVOCCFIRO-DHIUTWEWSA-N 1 3 380.532 3.978 20 0 GHADHO CCOC(=O)[C@H](CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391782 1040980669 /nfs/dbraw/zinc/98/06/69/1040980669.db2.gz TYNQCRVOCCFIRO-DHIUTWEWSA-N 1 3 380.532 3.978 20 0 GHADHO CC1(COc2ccc(C[NH2+][C@H]3CCCN(Cc4ccccc4)CC3)cn2)COC1 ZINC001255392630 1040980692 /nfs/dbraw/zinc/98/06/92/1040980692.db2.gz JXTBTQFSILJSIN-QFIPXVFZSA-N 1 3 395.547 3.641 20 0 GHADHO c1csc(CCN2CCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255401798 1040988920 /nfs/dbraw/zinc/98/89/20/1040988920.db2.gz CBVVFIIMLGRXCL-QFIPXVFZSA-N 1 3 383.605 3.963 20 0 GHADHO c1csc(CCN2CCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255401798 1040988921 /nfs/dbraw/zinc/98/89/21/1040988921.db2.gz CBVVFIIMLGRXCL-QFIPXVFZSA-N 1 3 383.605 3.963 20 0 GHADHO Brc1cccc([C@@H]2CN(CCC[NH2+]C3CCCCC3)CCN2)c1 ZINC001235796155 1041297245 /nfs/dbraw/zinc/29/72/45/1041297245.db2.gz QIQIXCVDTIQMHH-IBGZPJMESA-N 1 3 380.374 3.708 20 0 GHADHO Brc1ccc(N2CC[NH2+]CC2)c(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001235893711 1041416718 /nfs/dbraw/zinc/41/67/18/1041416718.db2.gz QTKSLLBZKQPDHU-YJBOKZPZSA-N 1 3 378.358 3.623 20 0 GHADHO CC[NH+](CC)CC[C@H](C)NC[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255945928 1041430459 /nfs/dbraw/zinc/43/04/59/1041430459.db2.gz PQWIAXQNMRHGDN-HOTGVXAUSA-N 1 3 377.520 3.589 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccc(OCC(=O)OC(C)(C)C)cc1 ZINC001255953515 1041434220 /nfs/dbraw/zinc/43/42/20/1041434220.db2.gz SEJCXKQAFFHFTB-SFHVURJKSA-N 1 3 378.557 3.660 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001236093023 1041529416 /nfs/dbraw/zinc/52/94/16/1041529416.db2.gz DJOSZFBQXSTTMT-INIZCTEOSA-N 1 3 379.570 3.615 20 0 GHADHO CN(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206295 1041619246 /nfs/dbraw/zinc/61/92/46/1041619246.db2.gz IMOMBMCROZKMCC-VWLOTQADSA-N 1 3 392.591 3.583 20 0 GHADHO Fc1cc(-c2cncc(OCC[NH+]3CCCC3)n2)ccc1CN1CCCCC1 ZINC001236231552 1041635031 /nfs/dbraw/zinc/63/50/31/1041635031.db2.gz IYMLNEWIZCHEME-UHFFFAOYSA-N 1 3 384.499 3.743 20 0 GHADHO CCN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001236239539 1041638907 /nfs/dbraw/zinc/63/89/07/1041638907.db2.gz FIJOSZKDRYKZBM-UHFFFAOYSA-N 1 3 378.442 3.532 20 0 GHADHO CC[NH+](CC)CCN1CCN([C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC001256221442 1041658437 /nfs/dbraw/zinc/65/84/37/1041658437.db2.gz BNIKVPXQLJANAO-SFHVURJKSA-N 1 3 396.417 3.730 20 0 GHADHO Cc1cccc(CN2CCC(N3CC[C@H]([NH3+])C3)CC2)c1OCc1ccccc1 ZINC001236622425 1041787391 /nfs/dbraw/zinc/78/73/91/1041787391.db2.gz OLJMBRIDXSSWKU-QFIPXVFZSA-N 1 3 379.548 3.571 20 0 GHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@H]12 ZINC001236832664 1041922292 /nfs/dbraw/zinc/92/22/92/1041922292.db2.gz WOZRVYQREDYIDX-RYQLBKOJSA-N 1 3 377.410 3.816 20 0 GHADHO [NH3+][C@@H]1CCC12CCN(Cc1cc(Br)ccc1OC(F)F)CC2 ZINC001237360432 1042168955 /nfs/dbraw/zinc/16/89/55/1042168955.db2.gz ZEHAYISUSYUCKG-CQSZACIVSA-N 1 3 375.257 3.754 20 0 GHADHO COC(=O)Cc1cccc(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001237488585 1042231370 /nfs/dbraw/zinc/23/13/70/1042231370.db2.gz QUZRBXCDOWFOOH-XJTUCQONSA-N 1 3 394.559 3.797 20 0 GHADHO COC(=O)Cc1cccc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001237488585 1042231373 /nfs/dbraw/zinc/23/13/73/1042231373.db2.gz QUZRBXCDOWFOOH-XJTUCQONSA-N 1 3 394.559 3.797 20 0 GHADHO CCCCc1ccc(NC(=S)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001239461377 1042832808 /nfs/dbraw/zinc/83/28/08/1042832808.db2.gz NMMINTOBSNXUGP-LJQANCHMSA-N 1 3 376.614 3.650 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc(CN3CCN(C)CC3)c2)nc1 ZINC001240287345 1042918498 /nfs/dbraw/zinc/91/84/98/1042918498.db2.gz FYUZTKKXTXQRRI-FQEVSTJZSA-N 1 3 378.564 3.870 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(CN3CCN(C)CC3)c2)nc1 ZINC001240287345 1042918500 /nfs/dbraw/zinc/91/85/00/1042918500.db2.gz FYUZTKKXTXQRRI-FQEVSTJZSA-N 1 3 378.564 3.870 20 0 GHADHO CN1CCN(Cc2ccc(-c3ccc4[nH]cc(CC[NH+](C)C)c4c3)cc2)CC1 ZINC001240414913 1042927646 /nfs/dbraw/zinc/92/76/46/1042927646.db2.gz GONLIBWFLMILBR-UHFFFAOYSA-N 1 3 376.548 3.686 20 0 GHADHO CN1CCN(Cc2ccc(-c3ccc(SC4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001240415010 1042927665 /nfs/dbraw/zinc/92/76/65/1042927665.db2.gz IWCUSXKWHYNENJ-UHFFFAOYSA-N 1 3 381.589 3.945 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CCN(C3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC001256569496 1043542922 /nfs/dbraw/zinc/54/29/22/1043542922.db2.gz HGNRPFGAJWMTPP-UHFFFAOYSA-N 1 3 379.589 3.972 20 0 GHADHO O=C1Nc2c(cccc2F)C12CCN(C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256607266 1043572605 /nfs/dbraw/zinc/57/26/05/1043572605.db2.gz LKUATCQLINCTKD-UHFFFAOYSA-N 1 3 393.506 3.776 20 0 GHADHO Brc1ccc(CCC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256678526 1043616339 /nfs/dbraw/zinc/61/63/39/1043616339.db2.gz XSRNZHBAUMSDNU-UHFFFAOYSA-N 1 3 381.358 3.615 20 0 GHADHO Clc1cccc(CC2([NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)c1 ZINC001256686149 1043622606 /nfs/dbraw/zinc/62/26/06/1043622606.db2.gz JREAIHCAQGUGJE-UHFFFAOYSA-N 1 3 392.971 3.665 20 0 GHADHO N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256906771 1043733386 /nfs/dbraw/zinc/73/33/86/1043733386.db2.gz DGDPIXDPLGBTFK-CAOPNEKNSA-N 1 3 387.571 3.970 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)N2CCC([NH3+])(Cc3ccccc3)CC2)cc1 ZINC001257155648 1043904488 /nfs/dbraw/zinc/90/44/88/1043904488.db2.gz XBRQWRMKDRVJLH-IBGZPJMESA-N 1 3 380.532 3.830 20 0 GHADHO CCCCCC(CCCCC)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001257551826 1044037165 /nfs/dbraw/zinc/03/71/65/1044037165.db2.gz WUORJUNZDZFOFT-UHFFFAOYSA-N 1 3 392.588 3.853 20 0 GHADHO CCOC(=O)CC[C@H](C)[NH+]1CCC(NCc2ccc(C(F)(F)F)cc2)CC1 ZINC001258501428 1044583414 /nfs/dbraw/zinc/58/34/14/1044583414.db2.gz UAZBMXSHULPSMU-HNNXBMFYSA-N 1 3 386.458 3.991 20 0 GHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC(C)(C)C1 ZINC001258688057 1044714403 /nfs/dbraw/zinc/71/44/03/1044714403.db2.gz XFIKXGSTOGYWNZ-NRSPTQNISA-N 1 3 385.596 3.606 20 0 GHADHO COc1cc(C[C@@H](C)N2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC001258875060 1044820863 /nfs/dbraw/zinc/82/08/63/1044820863.db2.gz XELHBCTYCWUSDS-YZGWKJHDSA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@@H](C)N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC001258875060 1044820887 /nfs/dbraw/zinc/82/08/87/1044820887.db2.gz XELHBCTYCWUSDS-YZGWKJHDSA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@@H](C)[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)cc(OC)c1OC ZINC001258875060 1044820907 /nfs/dbraw/zinc/82/09/07/1044820907.db2.gz XELHBCTYCWUSDS-YZGWKJHDSA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@@H](C)[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)cc(OC)c1OC ZINC001258875060 1044820929 /nfs/dbraw/zinc/82/09/29/1044820929.db2.gz XELHBCTYCWUSDS-YZGWKJHDSA-N 1 3 390.568 3.982 20 0 GHADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1cc3sccc3nc1Cl)C2 ZINC001279673039 1047909759 /nfs/dbraw/zinc/90/97/59/1047909759.db2.gz WMGMZYKPFCRUJW-FQEVSTJZSA-N 1 3 393.000 3.799 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954636 1049720986 /nfs/dbraw/zinc/72/09/86/1049720986.db2.gz MTROVESAZXDPKM-FCHUYYIVSA-N 1 3 387.568 3.867 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954636 1049720995 /nfs/dbraw/zinc/72/09/95/1049720995.db2.gz MTROVESAZXDPKM-FCHUYYIVSA-N 1 3 387.568 3.867 20 0 GHADHO C[NH+](C)CCCC(C)(C)NCc1cccc(F)c1I ZINC001308412303 1049970253 /nfs/dbraw/zinc/97/02/53/1049970253.db2.gz XJZWPCCZXSKTGJ-UHFFFAOYSA-N 1 3 378.273 3.640 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccccc1O2 ZINC001335345525 1052079499 /nfs/dbraw/zinc/07/94/99/1052079499.db2.gz MFHKBZSQZUSFLA-UXHICEINSA-N 1 3 386.923 3.951 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1O2 ZINC001335345525 1052079513 /nfs/dbraw/zinc/07/95/13/1052079513.db2.gz MFHKBZSQZUSFLA-UXHICEINSA-N 1 3 386.923 3.951 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)CC(C)C ZINC001311535175 1052228135 /nfs/dbraw/zinc/22/81/35/1052228135.db2.gz XIMCJVHNZGRBHK-JTHBVZDNSA-N 1 3 388.600 3.707 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001336135206 1052231459 /nfs/dbraw/zinc/23/14/59/1052231459.db2.gz GTZNNMXLRFPVDO-ZTCHMBHUSA-N 1 3 394.559 3.646 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001336135206 1052231461 /nfs/dbraw/zinc/23/14/61/1052231461.db2.gz GTZNNMXLRFPVDO-ZTCHMBHUSA-N 1 3 394.559 3.646 20 0 GHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001311568955 1052252188 /nfs/dbraw/zinc/25/21/88/1052252188.db2.gz IEAXGPNVRJWOPF-FCHUYYIVSA-N 1 3 388.600 3.806 20 0 GHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001311568955 1052252199 /nfs/dbraw/zinc/25/21/99/1052252199.db2.gz IEAXGPNVRJWOPF-FCHUYYIVSA-N 1 3 388.600 3.806 20 0 GHADHO CCCN(C(=O)N[C@H](C)C[NH+](CC)CC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001311749531 1052373096 /nfs/dbraw/zinc/37/30/96/1052373096.db2.gz LZWAFKVBNJKNJS-IFMALSPDSA-N 1 3 388.600 3.803 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC001312642262 1052822219 /nfs/dbraw/zinc/82/22/19/1052822219.db2.gz YARMZIJLHTYYHG-PZJWPPBQSA-N 1 3 392.632 3.793 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC001312642262 1052822223 /nfs/dbraw/zinc/82/22/23/1052822223.db2.gz YARMZIJLHTYYHG-PZJWPPBQSA-N 1 3 392.632 3.793 20 0 GHADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001312818731 1052881441 /nfs/dbraw/zinc/88/14/41/1052881441.db2.gz ODJDSOMIXJKPDO-UNMCSNQZSA-N 1 3 388.600 3.519 20 0 GHADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001312818731 1052881446 /nfs/dbraw/zinc/88/14/46/1052881446.db2.gz ODJDSOMIXJKPDO-UNMCSNQZSA-N 1 3 388.600 3.519 20 0 GHADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC001319500889 1055292666 /nfs/dbraw/zinc/29/26/66/1055292666.db2.gz ZUXZBYABZQSMSI-PKTZIBPZSA-N 1 3 383.580 3.540 20 0 GHADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000848572888 1057188680 /nfs/dbraw/zinc/18/86/80/1057188680.db2.gz MRTCJPOKJQNGSU-JOCHJYFZSA-N 1 3 378.516 3.689 20 0 GHADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000848572888 1057188684 /nfs/dbraw/zinc/18/86/84/1057188684.db2.gz MRTCJPOKJQNGSU-JOCHJYFZSA-N 1 3 378.516 3.689 20 0 GHADHO COc1ccc([C@H]2CCCCCN2C(=O)CN2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326583083 1057516289 /nfs/dbraw/zinc/51/62/89/1057516289.db2.gz CHXJJBJRQQKNDX-JOCHJYFZSA-N 1 3 399.579 3.605 20 0 GHADHO Cc1ccc(SCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849054824 1057564302 /nfs/dbraw/zinc/56/43/02/1057564302.db2.gz UHKIZXMVOQIFSM-UHFFFAOYSA-N 1 3 382.577 3.866 20 0 GHADHO Cc1ccc(OCCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849063260 1057574755 /nfs/dbraw/zinc/57/47/55/1057574755.db2.gz AZVKBMNFVBKPJN-UHFFFAOYSA-N 1 3 380.536 3.542 20 0 GHADHO [NH2+]=C(NCCCN1CCc2ccccc2C1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083767 1057585673 /nfs/dbraw/zinc/58/56/73/1057585673.db2.gz HZDLUYFCSPDQIR-UHFFFAOYSA-N 1 3 392.425 3.970 20 0 GHADHO C[C@H](NC1(CNC(=[NH2+])Nc2cc(F)ccc2F)CCOCC1)c1ccccc1 ZINC000849082183 1057585850 /nfs/dbraw/zinc/58/58/50/1057585850.db2.gz ZCYIBTMJVKFBCE-HNNXBMFYSA-N 1 3 388.462 3.801 20 0 GHADHO C[NH+](C)CCc1ccccc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001338611645 1058680502 /nfs/dbraw/zinc/68/05/02/1058680502.db2.gz MKNRMPDJBPFMBU-LJQANCHMSA-N 1 3 386.565 3.811 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@H](CC(C)C)C2)CC1 ZINC001459771854 1064209287 /nfs/dbraw/zinc/20/92/87/1064209287.db2.gz MKGPUBHXIQSTFY-JOCHJYFZSA-N 1 3 385.596 3.787 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@H](CC(C)C)C2)CC1 ZINC001459771854 1064209295 /nfs/dbraw/zinc/20/92/95/1064209295.db2.gz MKGPUBHXIQSTFY-JOCHJYFZSA-N 1 3 385.596 3.787 20 0 GHADHO CN(C)c1nc(C(F)(F)F)ccc1CNCc1ccc(F)c(C[NH+](C)C)c1 ZINC001351996884 1064754829 /nfs/dbraw/zinc/75/48/29/1064754829.db2.gz FNHHGPNEZWCKPN-UHFFFAOYSA-N 1 3 384.421 3.657 20 0 GHADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1CN(C)C ZINC001464885376 1065259183 /nfs/dbraw/zinc/25/91/83/1065259183.db2.gz DLRUNFXITMCCKP-DNQXCXABSA-N 1 3 393.575 3.913 20 0 GHADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1CN(C)C ZINC001464885376 1065259192 /nfs/dbraw/zinc/25/91/92/1065259192.db2.gz DLRUNFXITMCCKP-DNQXCXABSA-N 1 3 393.575 3.913 20 0 GHADHO CN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001465743996 1065823686 /nfs/dbraw/zinc/82/36/86/1065823686.db2.gz AMJNEUJJNZARAY-XZOQPEGZSA-N 1 3 379.548 3.802 20 0 GHADHO Cc1ccccc1-c1cnc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC001465787312 1065856408 /nfs/dbraw/zinc/85/64/08/1065856408.db2.gz STRBXXMQBSLDOT-INIZCTEOSA-N 1 3 389.569 3.512 20 0 GHADHO Cc1ccccc1-c1cnc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC001465787312 1065856417 /nfs/dbraw/zinc/85/64/17/1065856417.db2.gz STRBXXMQBSLDOT-INIZCTEOSA-N 1 3 389.569 3.512 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1(C)C ZINC001200314887 1065902048 /nfs/dbraw/zinc/90/20/48/1065902048.db2.gz ROMVTIIBKGQJLN-VQTJNVASSA-N 1 3 394.003 3.954 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468349858 1067698041 /nfs/dbraw/zinc/69/80/41/1067698041.db2.gz GZVSGUZQMZKLPU-REWPJTCUSA-N 1 3 396.579 3.808 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468349858 1067698043 /nfs/dbraw/zinc/69/80/43/1067698043.db2.gz GZVSGUZQMZKLPU-REWPJTCUSA-N 1 3 396.579 3.808 20 0 GHADHO Cc1ccc(O[C@@H](C)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849101660 1067728079 /nfs/dbraw/zinc/72/80/79/1067728079.db2.gz AGQKPCKYXAZPDW-IBGZPJMESA-N 1 3 380.536 3.541 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001468978405 1067943013 /nfs/dbraw/zinc/94/30/13/1067943013.db2.gz TVOOFBFDSFYECB-IEBWSBKVSA-N 1 3 392.613 3.647 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001468978405 1067943015 /nfs/dbraw/zinc/94/30/15/1067943015.db2.gz TVOOFBFDSFYECB-IEBWSBKVSA-N 1 3 392.613 3.647 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC001469160170 1068002005 /nfs/dbraw/zinc/00/20/05/1068002005.db2.gz GXIGVTYNWYVHLB-OOMBGRCJSA-N 1 3 398.595 3.666 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC001469508158 1068197699 /nfs/dbraw/zinc/19/76/99/1068197699.db2.gz NPVZJCRDITZYBU-UHFFFAOYSA-N 1 3 392.632 3.937 20 0 GHADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001470370909 1068706299 /nfs/dbraw/zinc/70/62/99/1068706299.db2.gz LRMGBPKXPFNMIK-QNGMFEMESA-N 1 3 380.621 3.649 20 0 GHADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001470370909 1068706310 /nfs/dbraw/zinc/70/63/10/1068706310.db2.gz LRMGBPKXPFNMIK-QNGMFEMESA-N 1 3 380.621 3.649 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618807 1078937411 /nfs/dbraw/zinc/93/74/11/1078937411.db2.gz UOFDVHFXZUFLJL-PXNSSMCTSA-N 1 3 394.991 3.754 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618807 1078937413 /nfs/dbraw/zinc/93/74/13/1078937413.db2.gz UOFDVHFXZUFLJL-PXNSSMCTSA-N 1 3 394.991 3.754 20 0 GHADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001472631350 1073586585 /nfs/dbraw/zinc/58/65/85/1073586585.db2.gz VCSQVFUGEUBURA-JOCHJYFZSA-N 1 3 379.548 3.746 20 0 GHADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001472631350 1073586592 /nfs/dbraw/zinc/58/65/92/1073586592.db2.gz VCSQVFUGEUBURA-JOCHJYFZSA-N 1 3 379.548 3.746 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)C2CCC(C)(C)CC2)CC1 ZINC001473223595 1073872216 /nfs/dbraw/zinc/87/22/16/1073872216.db2.gz ZEVZXWZZTAVSAV-UHFFFAOYSA-N 1 3 385.596 3.930 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)C2CCC(C)(C)CC2)CC1 ZINC001473223595 1073872222 /nfs/dbraw/zinc/87/22/22/1073872222.db2.gz ZEVZXWZZTAVSAV-UHFFFAOYSA-N 1 3 385.596 3.930 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC001473935858 1074210596 /nfs/dbraw/zinc/21/05/96/1074210596.db2.gz GADAPTNHWBBHFR-RDGATRHJSA-N 1 3 399.623 3.899 20 0 GHADHO Cn1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019048 1074237733 /nfs/dbraw/zinc/23/77/33/1074237733.db2.gz LOXXCIFXOVDOSN-UTKZUKDTSA-N 1 3 381.549 3.716 20 0 GHADHO Cn1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019048 1074237737 /nfs/dbraw/zinc/23/77/37/1074237737.db2.gz LOXXCIFXOVDOSN-UTKZUKDTSA-N 1 3 381.549 3.716 20 0 GHADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3nccn3C3CC3)cc2)C[C@H]1C ZINC001474093178 1074261207 /nfs/dbraw/zinc/26/12/07/1074261207.db2.gz ZMOAIOAVVUXFSZ-KDURUIRLSA-N 1 3 382.552 3.517 20 0 GHADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3nccn3C3CC3)cc2)C[C@H]1C ZINC001474093178 1074261211 /nfs/dbraw/zinc/26/12/11/1074261211.db2.gz ZMOAIOAVVUXFSZ-KDURUIRLSA-N 1 3 382.552 3.517 20 0 GHADHO COC(=O)c1cccc2c(CN(C)Cc3ccc(C[NH+](C)C)cc3)ccnc12 ZINC001474501133 1074434683 /nfs/dbraw/zinc/43/46/83/1074434683.db2.gz VBVKMKFOMFIYCE-UHFFFAOYSA-N 1 3 377.488 3.715 20 0 GHADHO Cc1nn(C)c2ncc(CNCc3ccc(C[NH+]4CCCCCC4)cc3)cc12 ZINC000237894229 837412892 /nfs/dbraw/zinc/41/28/92/837412892.db2.gz PUOKCNQRMZILKC-UHFFFAOYSA-N 1 3 377.536 3.943 20 0 GHADHO COc1cc(Br)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647544017 837475971 /nfs/dbraw/zinc/47/59/71/837475971.db2.gz VOWZNCBEKWYSJS-CABCVRRESA-N 1 3 397.357 3.678 20 0 GHADHO Clc1cccc([C@@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655688811 837610577 /nfs/dbraw/zinc/61/05/77/837610577.db2.gz JPLJKNYNDUBITE-FGZHOGPDSA-N 1 3 391.987 3.710 20 0 GHADHO CCN(CC)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655684323 837666434 /nfs/dbraw/zinc/66/64/34/837666434.db2.gz OAAVVVXGFPAUHB-SIKLNZKXSA-N 1 3 394.003 3.956 20 0 GHADHO c1ccc(CN2CCCC[C@H](C[NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000583470231 834427988 /nfs/dbraw/zinc/42/79/88/834427988.db2.gz BSIYECOCWKNCFA-XMMPIXPASA-N 1 3 392.591 3.938 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cc(Cl)ccc3OCC3CC3)C2)C1 ZINC000650707985 834547779 /nfs/dbraw/zinc/54/77/79/834547779.db2.gz RCJXEHVJGDXJDZ-SCWSEQNSSA-N 1 3 378.944 3.847 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000583526366 834570714 /nfs/dbraw/zinc/57/07/14/834570714.db2.gz IKBWJMOANSCVPN-VGSGFSFPSA-N 1 3 382.552 3.623 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000583526366 834570728 /nfs/dbraw/zinc/57/07/28/834570728.db2.gz IKBWJMOANSCVPN-VGSGFSFPSA-N 1 3 382.552 3.623 20 0 GHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc(C[NH3+])cc1F ZINC000650717755 834647169 /nfs/dbraw/zinc/64/71/69/834647169.db2.gz LNFWMNVEWNXECH-GFCCVEGCSA-N 1 3 383.389 3.810 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000143597850 834798246 /nfs/dbraw/zinc/79/82/46/834798246.db2.gz OVMUAQZAGVMMLW-RDPSFJRHSA-N 1 3 391.559 3.850 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CCC(C(C)C)CC3)CC2)CC1 ZINC000654928611 834808129 /nfs/dbraw/zinc/80/81/29/834808129.db2.gz DCUHQTSGTJCQMR-UHFFFAOYSA-N 1 3 377.617 3.761 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNC(=O)c3ccccc3CN(C)C)c2)CC1 ZINC000433346829 844032238 /nfs/dbraw/zinc/03/22/38/844032238.db2.gz ILOXBIVLLBXOPW-UHFFFAOYSA-N 1 3 379.548 3.910 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]([C@@H]4CCCC4(C)C)C3)CC2)CC1 ZINC000655160299 835317092 /nfs/dbraw/zinc/31/70/92/835317092.db2.gz OQKZLGLNTRJWGC-UNMCSNQZSA-N 1 3 389.628 3.858 20 0 GHADHO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000657970501 835326908 /nfs/dbraw/zinc/32/69/08/835326908.db2.gz FAVSLVXQDVVIGY-CJRSTVEYSA-N 1 3 386.580 3.708 20 0 GHADHO COc1ccc(C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1OC ZINC000658164992 835479848 /nfs/dbraw/zinc/47/98/48/835479848.db2.gz HABHZNQYFQUWSL-SFHVURJKSA-N 1 3 383.536 3.532 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000154317581 835540420 /nfs/dbraw/zinc/54/04/20/835540420.db2.gz MWXVHIHKJBEEFW-OAHLLOKOSA-N 1 3 387.540 3.688 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(Cc3ccccc3)C3CC3)CC2)CC1 ZINC000584360935 835909945 /nfs/dbraw/zinc/90/99/45/835909945.db2.gz WAFIUXQBKYVMNQ-VWLOTQADSA-N 1 3 397.607 3.710 20 0 GHADHO COc1cccc([C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)N2CCCC2)c1 ZINC000431651450 836140062 /nfs/dbraw/zinc/14/00/62/836140062.db2.gz JUTNVQPCDJUSFA-PKTZIBPZSA-N 1 3 395.547 3.641 20 0 GHADHO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483677 844153256 /nfs/dbraw/zinc/15/32/56/844153256.db2.gz IFANADGNQXZXAA-NNWRFLSQSA-N 1 3 399.604 3.622 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000549719652 844161666 /nfs/dbraw/zinc/16/16/66/844161666.db2.gz AZIVINWXCNUYQV-JZXOWHBKSA-N 1 3 395.385 3.785 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000415942506 838296237 /nfs/dbraw/zinc/29/62/37/838296237.db2.gz JDXSKPCQUVSZON-QFIPXVFZSA-N 1 3 396.535 3.763 20 0 GHADHO CN(C)[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)c1ccccc1 ZINC000415969897 838338900 /nfs/dbraw/zinc/33/89/00/838338900.db2.gz KQNBBFXWWYSXAJ-KRWDZBQOSA-N 1 3 380.414 3.589 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000415997344 838375232 /nfs/dbraw/zinc/37/52/32/838375232.db2.gz PDWNQUOFLITFSD-XMMPIXPASA-N 1 3 390.531 3.810 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000415997344 838375238 /nfs/dbraw/zinc/37/52/38/838375238.db2.gz PDWNQUOFLITFSD-XMMPIXPASA-N 1 3 390.531 3.810 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275690994 838425102 /nfs/dbraw/zinc/42/51/02/838425102.db2.gz WYGSLIGUXHOHQP-GBAJDQEWSA-N 1 3 382.552 3.766 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275690994 838425105 /nfs/dbraw/zinc/42/51/05/838425105.db2.gz WYGSLIGUXHOHQP-GBAJDQEWSA-N 1 3 382.552 3.766 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3ccc4cnccc4c3)CC2)cc1 ZINC000683766013 838626279 /nfs/dbraw/zinc/62/62/79/838626279.db2.gz QEDIPLQWCBDTIU-UHFFFAOYSA-N 1 3 388.559 3.922 20 0 GHADHO [NH3+]CCC[C@@H](NCc1cc(Br)cc2c1OCC2)c1ccccc1 ZINC000415045257 839124000 /nfs/dbraw/zinc/12/40/00/839124000.db2.gz BHFSPGWSJLJWAN-GOSISDBHSA-N 1 3 375.310 3.954 20 0 GHADHO Cc1cc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)ccc1Cl ZINC000180962055 844543052 /nfs/dbraw/zinc/54/30/52/844543052.db2.gz ZCORGNFITBMREQ-UHFFFAOYSA-N 1 3 385.939 3.764 20 0 GHADHO CC(C)[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N1CCc2ccccc2C1 ZINC000511772128 840712237 /nfs/dbraw/zinc/71/22/37/840712237.db2.gz XXQYZEMLFRRLJS-QHCPKHFHSA-N 1 3 379.548 3.561 20 0 GHADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000558127572 840800001 /nfs/dbraw/zinc/80/00/01/840800001.db2.gz SKOIBIGTSFJHAF-SFHVURJKSA-N 1 3 385.518 3.984 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000558127572 840800013 /nfs/dbraw/zinc/80/00/13/840800013.db2.gz SKOIBIGTSFJHAF-SFHVURJKSA-N 1 3 385.518 3.984 20 0 GHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccccc1OCc1ccccc1 ZINC000581634851 841846140 /nfs/dbraw/zinc/84/61/40/841846140.db2.gz IHHPWFWGCSPLRN-UHFFFAOYSA-N 1 3 381.564 3.723 20 0 GHADHO COc1cc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC(C)C ZINC000512181824 842801324 /nfs/dbraw/zinc/80/13/24/842801324.db2.gz QLIIFHIWPFMRRW-KDURUIRLSA-N 1 3 390.568 3.804 20 0 GHADHO COc1cc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC(C)C ZINC000512181824 842801332 /nfs/dbraw/zinc/80/13/32/842801332.db2.gz QLIIFHIWPFMRRW-KDURUIRLSA-N 1 3 390.568 3.804 20 0 GHADHO COc1cccc(C(=O)N2CCC([N@@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)c1 ZINC001167878692 843166527 /nfs/dbraw/zinc/16/65/27/843166527.db2.gz KBPTUKBHHFNQFJ-OAQYLSRUSA-N 1 3 399.579 3.640 20 0 GHADHO COc1cccc(C(=O)N2CCC([N@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)c1 ZINC001167878692 843166532 /nfs/dbraw/zinc/16/65/32/843166532.db2.gz KBPTUKBHHFNQFJ-OAQYLSRUSA-N 1 3 399.579 3.640 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662388916 843185154 /nfs/dbraw/zinc/18/51/54/843185154.db2.gz QERLRAPKGAHMDE-WZONZLPQSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662388916 843185158 /nfs/dbraw/zinc/18/51/58/843185158.db2.gz QERLRAPKGAHMDE-WZONZLPQSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418684951 843532183 /nfs/dbraw/zinc/53/21/83/843532183.db2.gz YSOPKXFVLMBLKO-NZQKXSOJSA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468237 843673075 /nfs/dbraw/zinc/67/30/75/843673075.db2.gz KSDSSVGYRYYNHF-PXNSSMCTSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468237 843673081 /nfs/dbraw/zinc/67/30/81/843673081.db2.gz KSDSSVGYRYYNHF-PXNSSMCTSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468237 843673085 /nfs/dbraw/zinc/67/30/85/843673085.db2.gz KSDSSVGYRYYNHF-PXNSSMCTSA-N 1 3 391.987 3.789 20 0 GHADHO c1ccc(CCCCN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512409300 843717894 /nfs/dbraw/zinc/71/78/94/843717894.db2.gz NBUPNZJQFCLGIA-VWLOTQADSA-N 1 3 377.576 3.901 20 0 GHADHO c1ccc(CCCCN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512409300 843717901 /nfs/dbraw/zinc/71/79/01/843717901.db2.gz NBUPNZJQFCLGIA-VWLOTQADSA-N 1 3 377.576 3.901 20 0 GHADHO CCOc1cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc(Br)c1OC ZINC000092253684 843754082 /nfs/dbraw/zinc/75/40/82/843754082.db2.gz ABGYTLZMKXORNZ-CQSZACIVSA-N 1 3 385.346 3.630 20 0 GHADHO CCOc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc(Br)c1OC ZINC000092253684 843754088 /nfs/dbraw/zinc/75/40/88/843754088.db2.gz ABGYTLZMKXORNZ-CQSZACIVSA-N 1 3 385.346 3.630 20 0 GHADHO Cc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)ccc1Br ZINC000237195706 843771793 /nfs/dbraw/zinc/77/17/93/843771793.db2.gz XKRINJYQBCCEAY-UHFFFAOYSA-N 1 3 377.326 3.988 20 0 GHADHO C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000179102719 861470559 /nfs/dbraw/zinc/47/05/59/861470559.db2.gz IRPZHQXQSRFZRX-DVECYGJZSA-N 1 3 391.559 3.897 20 0 GHADHO CCO[C@H]1CCCN(Cc2cc(C[N@@H+]3CCC[C@H](OCC)C3)cc(OC)c2)C1 ZINC000644994469 844839598 /nfs/dbraw/zinc/83/95/98/844839598.db2.gz XSQNREJYRJUMEO-VXKWHMMOSA-N 1 3 390.568 3.697 20 0 GHADHO CCO[C@H]1CCCN(Cc2cc(C[N@H+]3CCC[C@H](OCC)C3)cc(OC)c2)C1 ZINC000644994469 844839606 /nfs/dbraw/zinc/83/96/06/844839606.db2.gz XSQNREJYRJUMEO-VXKWHMMOSA-N 1 3 390.568 3.697 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000513267160 845158641 /nfs/dbraw/zinc/15/86/41/845158641.db2.gz KOHWQCCPFCQSAQ-RPWUZVMVSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000513267160 845158647 /nfs/dbraw/zinc/15/86/47/845158647.db2.gz KOHWQCCPFCQSAQ-RPWUZVMVSA-N 1 3 391.559 3.679 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2cccc(Cl)c2)C2CCCC2)CC1 ZINC000411472916 845490042 /nfs/dbraw/zinc/49/00/42/845490042.db2.gz IZFISSVFOSEIMB-NRFANRHFSA-N 1 3 377.960 3.761 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000411549826 845580006 /nfs/dbraw/zinc/58/00/06/845580006.db2.gz ICPPKUARWVVJTM-SIKLNZKXSA-N 1 3 397.563 3.895 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000411549826 845580013 /nfs/dbraw/zinc/58/00/13/845580013.db2.gz ICPPKUARWVVJTM-SIKLNZKXSA-N 1 3 397.563 3.895 20 0 GHADHO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000513560142 845666552 /nfs/dbraw/zinc/66/65/52/845666552.db2.gz LKOLMZKUHDOYTI-HSZRJFAPSA-N 1 3 377.532 3.677 20 0 GHADHO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000513560142 845666560 /nfs/dbraw/zinc/66/65/60/845666560.db2.gz LKOLMZKUHDOYTI-HSZRJFAPSA-N 1 3 377.532 3.677 20 0 GHADHO O=C(CC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000582057542 846166462 /nfs/dbraw/zinc/16/64/62/846166462.db2.gz RMRRBFLIAVNTBL-LJQANCHMSA-N 1 3 385.939 3.823 20 0 GHADHO O=C(CCNC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000582057542 846166466 /nfs/dbraw/zinc/16/64/66/846166466.db2.gz RMRRBFLIAVNTBL-LJQANCHMSA-N 1 3 385.939 3.823 20 0 GHADHO O=C(CCNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000582057542 846166471 /nfs/dbraw/zinc/16/64/71/846166471.db2.gz RMRRBFLIAVNTBL-LJQANCHMSA-N 1 3 385.939 3.823 20 0 GHADHO Cc1ccc2[nH]c(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)cc2c1C ZINC000414521895 846280046 /nfs/dbraw/zinc/28/00/46/846280046.db2.gz GEIZYAIEMUAXEO-UHFFFAOYSA-N 1 3 377.532 3.901 20 0 GHADHO C[C@H]([NH2+]Cc1nccc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000894241006 846418027 /nfs/dbraw/zinc/41/80/27/846418027.db2.gz FSLBRFXPXYCCOU-KRWDZBQOSA-N 1 3 378.495 3.977 20 0 GHADHO Cc1ccc(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000501056993 846587949 /nfs/dbraw/zinc/58/79/49/846587949.db2.gz YBQZNMKCKFCUOW-KRWDZBQOSA-N 1 3 384.499 3.705 20 0 GHADHO CSc1ccccc1NC(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066450 846597376 /nfs/dbraw/zinc/59/73/76/846597376.db2.gz COGQOIGYLVTNNX-KRWDZBQOSA-N 1 3 398.576 3.979 20 0 GHADHO Cc1ccc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000501053551 846604874 /nfs/dbraw/zinc/60/48/74/846604874.db2.gz NXOGALKHUGCVPX-UHFFFAOYSA-N 1 3 386.927 3.830 20 0 GHADHO C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N(C)Cc1ccccc1 ZINC000502966206 846671218 /nfs/dbraw/zinc/67/12/18/846671218.db2.gz GRWVCVQQNGUAST-PMACEKPBSA-N 1 3 396.579 3.936 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000582368846 846969773 /nfs/dbraw/zinc/96/97/73/846969773.db2.gz SRSSWEPWPPCAFT-LEWJYISDSA-N 1 3 377.617 3.904 20 0 GHADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000501827665 847218113 /nfs/dbraw/zinc/21/81/13/847218113.db2.gz QIQVJYCFWAENLG-SFTDATJTSA-N 1 3 397.567 3.744 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501855217 847263984 /nfs/dbraw/zinc/26/39/84/847263984.db2.gz LXLBTRLMVACQEJ-QQURRQIPSA-N 1 3 398.595 3.602 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501855217 847263996 /nfs/dbraw/zinc/26/39/96/847263996.db2.gz LXLBTRLMVACQEJ-QQURRQIPSA-N 1 3 398.595 3.602 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3nc(-c4ccsc4)oc3C)CC2)CC1 ZINC000420986092 847592561 /nfs/dbraw/zinc/59/25/61/847592561.db2.gz XSHVJARSSHHLGX-UHFFFAOYSA-N 1 3 388.581 3.704 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3nc(-c4ccsc4)oc3C)CC2)CC1 ZINC000420986092 847592570 /nfs/dbraw/zinc/59/25/70/847592570.db2.gz XSHVJARSSHHLGX-UHFFFAOYSA-N 1 3 388.581 3.704 20 0 GHADHO Brc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422711963 847779948 /nfs/dbraw/zinc/77/99/48/847779948.db2.gz NOIIMWLAROHQFZ-GDAAHCPNSA-N 1 3 378.358 3.538 20 0 GHADHO Brc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422711965 847780181 /nfs/dbraw/zinc/78/01/81/847780181.db2.gz NOIIMWLAROHQFZ-WZGPROSRSA-N 1 3 378.358 3.538 20 0 GHADHO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)N1CCCCC1 ZINC000422712490 847780913 /nfs/dbraw/zinc/78/09/13/847780913.db2.gz OIHJDIVYLSBLEB-HTAPYJJXSA-N 1 3 382.552 3.735 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N1CCCCC1 ZINC000422719517 847795262 /nfs/dbraw/zinc/79/52/62/847795262.db2.gz YJIIQJHXIQCMIO-VJBMBRPKSA-N 1 3 381.564 3.770 20 0 GHADHO COc1ccccc1[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCCCC1 ZINC000422719517 847795271 /nfs/dbraw/zinc/79/52/71/847795271.db2.gz YJIIQJHXIQCMIO-VJBMBRPKSA-N 1 3 381.564 3.770 20 0 GHADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422726306 847799819 /nfs/dbraw/zinc/79/98/19/847799819.db2.gz DLLBXCOKMVCISD-MTQWCTHYSA-N 1 3 381.486 3.790 20 0 GHADHO FC(F)Oc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422763754 847824821 /nfs/dbraw/zinc/82/48/21/847824821.db2.gz PEGMHMFIUNERFD-XWTMOSNGSA-N 1 3 379.495 3.767 20 0 GHADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(C(F)(F)F)c1 ZINC000422840052 847849613 /nfs/dbraw/zinc/84/96/13/847849613.db2.gz SBLVNUYAOBOHIQ-QXCFHYIPSA-N 1 3 386.458 3.610 20 0 GHADHO FC(F)(F)c1ccccc1OCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422961060 847916876 /nfs/dbraw/zinc/91/68/76/847916876.db2.gz YJQBGIYDNLGBKB-FXAWDEMLSA-N 1 3 392.421 3.930 20 0 GHADHO Fc1ccc([C@@H]2OCC[C@@H]2N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000423016843 847938740 /nfs/dbraw/zinc/93/87/40/847938740.db2.gz NJXNOAULYNZYFA-YUVXSKOASA-N 1 3 386.442 3.640 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423025503 847944051 /nfs/dbraw/zinc/94/40/51/847944051.db2.gz OMOCHELONDTCLM-UYTHQXMGSA-N 1 3 390.934 3.985 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1C(F)(F)F ZINC000657594421 848282793 /nfs/dbraw/zinc/28/27/93/848282793.db2.gz AEYGLPBLERPFML-IBGZPJMESA-N 1 3 378.438 3.870 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1C(F)(F)F ZINC000657594421 848282800 /nfs/dbraw/zinc/28/28/00/848282800.db2.gz AEYGLPBLERPFML-IBGZPJMESA-N 1 3 378.438 3.870 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(OC(F)F)c(Cl)c3)cc2)C1 ZINC000657595024 848288117 /nfs/dbraw/zinc/28/81/17/848288117.db2.gz MJGFDJMHQTYVRF-KRWDZBQOSA-N 1 3 396.865 3.798 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(OC(F)F)c(Cl)c3)cc2)C1 ZINC000657595024 848288125 /nfs/dbraw/zinc/28/81/25/848288125.db2.gz MJGFDJMHQTYVRF-KRWDZBQOSA-N 1 3 396.865 3.798 20 0 GHADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1OCC(C)C ZINC000657596016 848291365 /nfs/dbraw/zinc/29/13/65/848291365.db2.gz TZIANTMCROVDRH-JOCHJYFZSA-N 1 3 398.547 3.586 20 0 GHADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1OCC(C)C ZINC000657596016 848291369 /nfs/dbraw/zinc/29/13/69/848291369.db2.gz TZIANTMCROVDRH-JOCHJYFZSA-N 1 3 398.547 3.586 20 0 GHADHO Clc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc2c1OCCO2 ZINC000657612274 848324027 /nfs/dbraw/zinc/32/40/27/848324027.db2.gz LJCBCWCRHHHANI-UHFFFAOYSA-N 1 3 387.911 3.508 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H](C)CCc2n[nH]c3ccccc32)cc1 ZINC000423326039 849866982 /nfs/dbraw/zinc/86/69/82/849866982.db2.gz JBNYQDNGOFYAHZ-BTCOZLQPSA-N 1 3 378.520 3.628 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423388951 849896893 /nfs/dbraw/zinc/89/68/93/849896893.db2.gz UPBGRVMVYDSMAB-NTZNESFSSA-N 1 3 377.838 3.806 20 0 GHADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000414742908 849915789 /nfs/dbraw/zinc/91/57/89/849915789.db2.gz MRCLGXMSMQWKDQ-IIBYNOLFSA-N 1 3 377.960 3.700 20 0 GHADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000414742908 849915795 /nfs/dbraw/zinc/91/57/95/849915795.db2.gz MRCLGXMSMQWKDQ-IIBYNOLFSA-N 1 3 377.960 3.700 20 0 GHADHO C[C@H](CC(=O)N(C)c1ccccc1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423460378 849934725 /nfs/dbraw/zinc/93/47/25/849934725.db2.gz AVRATZNGYRDMQJ-ZWCUEREDSA-N 1 3 383.511 3.550 20 0 GHADHO Cc1c([C@H](C)NCCC[C@H]2CCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000423483063 849950193 /nfs/dbraw/zinc/95/01/93/849950193.db2.gz PTOXRWMGWIKGIS-BBRMVZONSA-N 1 3 392.345 3.521 20 0 GHADHO CCc1ccc([C@@H](NCCC2=CC[NH2+]CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423544209 849975346 /nfs/dbraw/zinc/97/53/46/849975346.db2.gz WDAFAZYEBAVNTC-HSZRJFAPSA-N 1 3 398.572 3.641 20 0 GHADHO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000505616072 850135083 /nfs/dbraw/zinc/13/50/83/850135083.db2.gz ZYVBLBJTZAZDRX-XXBNENTESA-N 1 3 379.548 3.706 20 0 GHADHO COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1O ZINC000415002867 850181478 /nfs/dbraw/zinc/18/14/78/850181478.db2.gz MOSKFTOKQQYFDS-NBHGPNQESA-N 1 3 386.511 3.844 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000486886189 850217514 /nfs/dbraw/zinc/21/75/14/850217514.db2.gz XJNOBALMRRAKON-GOSISDBHSA-N 1 3 393.522 3.510 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000486886189 850217523 /nfs/dbraw/zinc/21/75/23/850217523.db2.gz XJNOBALMRRAKON-GOSISDBHSA-N 1 3 393.522 3.510 20 0 GHADHO C[C@H]1CC2(CN1Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC[NH2+]CC2 ZINC000424372854 850412636 /nfs/dbraw/zinc/41/26/36/850412636.db2.gz FZTFWDYPXYDAFA-LPHOPBHVSA-N 1 3 378.944 3.862 20 0 GHADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C[C@@H]21 ZINC000435383801 850448380 /nfs/dbraw/zinc/44/83/80/850448380.db2.gz KCNZRDKYDMHFQP-ACIOBRDBSA-N 1 3 387.531 3.553 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H](F)C1 ZINC001167965329 850491246 /nfs/dbraw/zinc/49/12/46/850491246.db2.gz BERDOKSGGZMCFZ-FCFHUKJJSA-N 1 3 395.563 3.577 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H](F)C1 ZINC001167965329 850491251 /nfs/dbraw/zinc/49/12/51/850491251.db2.gz BERDOKSGGZMCFZ-FCFHUKJJSA-N 1 3 395.563 3.577 20 0 GHADHO C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(F)c2)[C@H]1c1cccs1 ZINC000515054380 850631999 /nfs/dbraw/zinc/63/19/99/850631999.db2.gz FVHYSVCKKRACFG-YWZLYKJASA-N 1 3 375.513 3.889 20 0 GHADHO C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(F)c2)[C@H]1c1cccs1 ZINC000515054380 850632005 /nfs/dbraw/zinc/63/20/05/850632005.db2.gz FVHYSVCKKRACFG-YWZLYKJASA-N 1 3 375.513 3.889 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNCc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000414816180 850711555 /nfs/dbraw/zinc/71/15/55/850711555.db2.gz ZKDLVEPSZDWSFC-ZDUSSCGKSA-N 1 3 391.309 3.920 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000514126924 851266651 /nfs/dbraw/zinc/26/66/51/851266651.db2.gz NOOKZRZPXRPICG-URVUXULASA-N 1 3 386.584 3.776 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000514126924 851266663 /nfs/dbraw/zinc/26/66/63/851266663.db2.gz NOOKZRZPXRPICG-URVUXULASA-N 1 3 386.584 3.776 20 0 GHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000514161443 851317098 /nfs/dbraw/zinc/31/70/98/851317098.db2.gz AMWOUBQAXSHPOD-ROUUACIJSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000514161443 851317104 /nfs/dbraw/zinc/31/71/04/851317104.db2.gz AMWOUBQAXSHPOD-ROUUACIJSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000517540596 852069680 /nfs/dbraw/zinc/06/96/80/852069680.db2.gz GCORIIQIDXETMG-NFBKMPQASA-N 1 3 394.563 3.595 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167961297 852389234 /nfs/dbraw/zinc/38/92/34/852389234.db2.gz HPJCKJRGPLRZMX-UMQXSMKFSA-N 1 3 377.573 3.771 20 0 GHADHO C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001167984505 852539755 /nfs/dbraw/zinc/53/97/55/852539755.db2.gz PJOFSJAKVRUQCS-CTLHLVSWSA-N 1 3 391.600 3.875 20 0 GHADHO C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001167984505 852539760 /nfs/dbraw/zinc/53/97/60/852539760.db2.gz PJOFSJAKVRUQCS-CTLHLVSWSA-N 1 3 391.600 3.875 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000506311256 852667106 /nfs/dbraw/zinc/66/71/06/852667106.db2.gz VQXIVTFUJNNMMC-WIYYLYMNSA-N 1 3 396.535 3.584 20 0 GHADHO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000507521840 853004920 /nfs/dbraw/zinc/00/49/20/853004920.db2.gz BBKGONHOIKOKMP-FCJDFRRUSA-N 1 3 378.564 3.822 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894332425 853015372 /nfs/dbraw/zinc/01/53/72/853015372.db2.gz PTFOGYVVYNFYQN-IAGOWNOFSA-N 1 3 379.957 3.807 20 0 GHADHO COc1ccc(C[NH+]2CCC(CCCN3CCOCC3)CC2)c(OC(F)F)c1 ZINC000507715732 853220497 /nfs/dbraw/zinc/22/04/97/853220497.db2.gz CKCFKJMZHOVPFI-UHFFFAOYSA-N 1 3 398.494 3.621 20 0 GHADHO O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167987486 853252618 /nfs/dbraw/zinc/25/26/18/853252618.db2.gz CABGRMBBOHKDAP-ZWZGKBJOSA-N 1 3 385.577 3.582 20 0 GHADHO O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167987486 853252628 /nfs/dbraw/zinc/25/26/28/853252628.db2.gz CABGRMBBOHKDAP-ZWZGKBJOSA-N 1 3 385.577 3.582 20 0 GHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000439143906 853339199 /nfs/dbraw/zinc/33/91/99/853339199.db2.gz VITMBNULHLOKBL-AKIFATBCSA-N 1 3 393.579 3.577 20 0 GHADHO CN(C(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000458853819 853421980 /nfs/dbraw/zinc/42/19/80/853421980.db2.gz OZWROXDEYIJTQQ-JOCHJYFZSA-N 1 3 386.584 3.559 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000518516438 853453578 /nfs/dbraw/zinc/45/35/78/853453578.db2.gz CJTRURJMSCNQJH-AUSIDOKSSA-N 1 3 377.532 3.848 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000571351537 853851210 /nfs/dbraw/zinc/85/12/10/853851210.db2.gz CQYDACVFWNEADZ-UHFFFAOYSA-N 1 3 397.485 3.518 20 0 GHADHO CN1CCN(CC[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC1(C)C ZINC000441387055 854169247 /nfs/dbraw/zinc/16/92/47/854169247.db2.gz QGGAIOUVRFCDKL-UHFFFAOYSA-N 1 3 377.479 3.557 20 0 GHADHO CC[N@H+](CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(C)C ZINC000588267143 854262817 /nfs/dbraw/zinc/26/28/17/854262817.db2.gz PSLKFOHUZFFAGX-SFHVURJKSA-N 1 3 380.602 3.551 20 0 GHADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(C)C ZINC000588267143 854262821 /nfs/dbraw/zinc/26/28/21/854262821.db2.gz PSLKFOHUZFFAGX-SFHVURJKSA-N 1 3 380.602 3.551 20 0 GHADHO CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995835 854553412 /nfs/dbraw/zinc/55/34/12/854553412.db2.gz RKNJYKSGIBRJJU-WRURNZQNSA-N 1 3 377.573 3.581 20 0 GHADHO CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995835 854553418 /nfs/dbraw/zinc/55/34/18/854553418.db2.gz RKNJYKSGIBRJJU-WRURNZQNSA-N 1 3 377.573 3.581 20 0 GHADHO C[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995835 854553430 /nfs/dbraw/zinc/55/34/30/854553430.db2.gz RKNJYKSGIBRJJU-WRURNZQNSA-N 1 3 377.573 3.581 20 0 GHADHO C[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995835 854553440 /nfs/dbraw/zinc/55/34/40/854553440.db2.gz RKNJYKSGIBRJJU-WRURNZQNSA-N 1 3 377.573 3.581 20 0 GHADHO COc1ccc([C@@H]2C[C@@H]([NH2+]CC3CCN(Cc4cccnc4)CC3)CCO2)cc1 ZINC001168613642 854870929 /nfs/dbraw/zinc/87/09/29/854870929.db2.gz JKYBWYZDXWJTRP-UPVQGACJSA-N 1 3 395.547 3.812 20 0 GHADHO COc1ccc([C@@H]2C[C@@H]([NH2+]CC3CCN(Cc4ccccn4)CC3)CCO2)cc1 ZINC001168617620 855072696 /nfs/dbraw/zinc/07/26/96/855072696.db2.gz VCLVNGGPGRMSSN-URXFXBBRSA-N 1 3 395.547 3.812 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C(F)F)ccc3F)CC2)CC1 ZINC000655164804 855143651 /nfs/dbraw/zinc/14/36/51/855143651.db2.gz GKQUKNHMMQEHDZ-UHFFFAOYSA-N 1 3 383.458 3.898 20 0 GHADHO CC(C)N1CCC([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000624105952 862657026 /nfs/dbraw/zinc/65/70/26/862657026.db2.gz JECISKLMDVAZCX-HSZRJFAPSA-N 1 3 377.532 3.846 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)c1ccsc1 ZINC000520621592 855829992 /nfs/dbraw/zinc/82/99/92/855829992.db2.gz MMFILZYDYYHPCS-MOPGFXCFSA-N 1 3 380.602 3.551 20 0 GHADHO Cn1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)c(-c2cccs2)n1 ZINC000093963373 855940793 /nfs/dbraw/zinc/94/07/93/855940793.db2.gz JODBFPDXULTNDJ-UHFFFAOYSA-N 1 3 384.549 3.769 20 0 GHADHO CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629554366 862754992 /nfs/dbraw/zinc/75/49/92/862754992.db2.gz ZMNLNEKFDDIGQG-SJLPKXTDSA-N 1 3 396.366 3.866 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000591571126 856156948 /nfs/dbraw/zinc/15/69/48/856156948.db2.gz CGFOOLHIAFIRLG-GOTSBHOMSA-N 1 3 398.595 3.729 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccccc3C3CC3)c2)C1 ZINC000674334539 856178601 /nfs/dbraw/zinc/17/86/01/856178601.db2.gz UPWDWDPQUYPXDJ-QFIPXVFZSA-N 1 3 377.532 3.551 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccccc3C3CC3)c2)C1 ZINC000674334539 856178765 /nfs/dbraw/zinc/17/87/65/856178765.db2.gz UPWDWDPQUYPXDJ-QFIPXVFZSA-N 1 3 377.532 3.551 20 0 GHADHO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000760883520 856212824 /nfs/dbraw/zinc/21/28/24/856212824.db2.gz BTDVNTQLZWZSQI-NQSCKRDGSA-N 1 3 376.541 3.526 20 0 GHADHO CC1CCN([C@H](CNC(=O)c2cccn2C2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000165729172 856260962 /nfs/dbraw/zinc/26/09/62/856260962.db2.gz NJBZNZBFKJQOBJ-HSZRJFAPSA-N 1 3 394.563 3.616 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000573627267 856361249 /nfs/dbraw/zinc/36/12/49/856361249.db2.gz PSNWTGNPFKRPCZ-HSZRJFAPSA-N 1 3 382.548 3.606 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000105273514 856631620 /nfs/dbraw/zinc/63/16/20/856631620.db2.gz PVNVNLZKXQXVNM-IBGZPJMESA-N 1 3 394.991 3.534 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000105273514 856631627 /nfs/dbraw/zinc/63/16/27/856631627.db2.gz PVNVNLZKXQXVNM-IBGZPJMESA-N 1 3 394.991 3.534 20 0 GHADHO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1OCC ZINC000181414993 862867963 /nfs/dbraw/zinc/86/79/63/862867963.db2.gz BEZDMHAYFHUROI-WMQCIHAUSA-N 1 3 390.568 3.903 20 0 GHADHO O[C@@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391794 857445063 /nfs/dbraw/zinc/44/50/63/857445063.db2.gz CWMMGRZZBDTQQC-PMACEKPBSA-N 1 3 388.939 3.582 20 0 GHADHO O[C@@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391794 857445065 /nfs/dbraw/zinc/44/50/65/857445065.db2.gz CWMMGRZZBDTQQC-PMACEKPBSA-N 1 3 388.939 3.582 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000669483515 857478741 /nfs/dbraw/zinc/47/87/41/857478741.db2.gz ABKKHBSRXXXQGX-PGRDOPGGSA-N 1 3 380.536 3.733 20 0 GHADHO C[C@@H](CN(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000066853763 857975547 /nfs/dbraw/zinc/97/55/47/857975547.db2.gz HHLDUCZRTATACL-SFTDATJTSA-N 1 3 393.575 3.891 20 0 GHADHO Cn1c2cc(C[NH2+][C@@H]3CCN(Cc4ccccc4)[C@@H]4CCC[C@H]43)ccc2oc1=O ZINC000624205551 862987167 /nfs/dbraw/zinc/98/71/67/862987167.db2.gz HEUJLANHOJHILR-PWRODBHTSA-N 1 3 391.515 3.664 20 0 GHADHO Cc1ccc(C2CC([NH2+]Cc3ccc(C(=O)NCCN4CCCC4)cc3)C2)cc1 ZINC000543062898 858141841 /nfs/dbraw/zinc/14/18/41/858141841.db2.gz AYCBVPYQRLHUSL-UHFFFAOYSA-N 1 3 391.559 3.856 20 0 GHADHO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442869901 858187157 /nfs/dbraw/zinc/18/71/57/858187157.db2.gz QEJYYTNGBMTBKC-NRFANRHFSA-N 1 3 387.612 3.968 20 0 GHADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000521955747 858483124 /nfs/dbraw/zinc/48/31/24/858483124.db2.gz WBEPGAXSDVMZPX-REWPJTCUSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000521955747 858483131 /nfs/dbraw/zinc/48/31/31/858483131.db2.gz WBEPGAXSDVMZPX-REWPJTCUSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466210516 858725651 /nfs/dbraw/zinc/72/56/51/858725651.db2.gz MQKABDJDZNIYAP-SJBKTWHCSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466210516 858725659 /nfs/dbraw/zinc/72/56/59/858725659.db2.gz MQKABDJDZNIYAP-SJBKTWHCSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H]1C[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466210517 858726135 /nfs/dbraw/zinc/72/61/35/858726135.db2.gz MQKABDJDZNIYAP-URVUXULASA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H]1C[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466210517 858726139 /nfs/dbraw/zinc/72/61/39/858726139.db2.gz MQKABDJDZNIYAP-URVUXULASA-N 1 3 386.584 3.603 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000474075736 858791655 /nfs/dbraw/zinc/79/16/55/858791655.db2.gz WGXJCXXSOAGLCW-YGOYIFOWSA-N 1 3 394.559 3.890 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000474075736 858791662 /nfs/dbraw/zinc/79/16/62/858791662.db2.gz WGXJCXXSOAGLCW-YGOYIFOWSA-N 1 3 394.559 3.890 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000922971134 858908384 /nfs/dbraw/zinc/90/83/84/858908384.db2.gz HMMRIBVEOFMRPK-YOEKFXIASA-N 1 3 399.579 3.828 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000922971134 858908391 /nfs/dbraw/zinc/90/83/91/858908391.db2.gz HMMRIBVEOFMRPK-YOEKFXIASA-N 1 3 399.579 3.828 20 0 GHADHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000482885655 858941555 /nfs/dbraw/zinc/94/15/55/858941555.db2.gz HUBUHPOKIKTYAX-GOSISDBHSA-N 1 3 386.367 3.977 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543238123 858989675 /nfs/dbraw/zinc/98/96/75/858989675.db2.gz FCRMMJQXODCNTF-NQIIRXRSSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543238123 858989681 /nfs/dbraw/zinc/98/96/81/858989681.db2.gz FCRMMJQXODCNTF-NQIIRXRSSA-N 1 3 375.520 3.576 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@]2(O)CCOc3ccccc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023360 859101614 /nfs/dbraw/zinc/10/16/14/859101614.db2.gz VTBDNWQSYGQMPW-RRZZWSPOSA-N 1 3 380.532 3.688 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@]2(O)CCOc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023360 859101616 /nfs/dbraw/zinc/10/16/16/859101616.db2.gz VTBDNWQSYGQMPW-RRZZWSPOSA-N 1 3 380.532 3.688 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc(Oc4ccccn4)c3)cc2)C1 ZINC000922239337 859132142 /nfs/dbraw/zinc/13/21/42/859132142.db2.gz FVKJLJCYAJXEQQ-JOCHJYFZSA-N 1 3 389.499 3.730 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(Oc4ccccn4)c3)cc2)C1 ZINC000922239337 859132150 /nfs/dbraw/zinc/13/21/50/859132150.db2.gz FVKJLJCYAJXEQQ-JOCHJYFZSA-N 1 3 389.499 3.730 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3CC3CCCCC3)CC2)CC1 ZINC000051761188 859313837 /nfs/dbraw/zinc/31/38/37/859313837.db2.gz TUORRQXWABQUKT-JOCHJYFZSA-N 1 3 390.616 3.689 20 0 GHADHO Cc1nn(-c2ccccc2)cc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613293 859494020 /nfs/dbraw/zinc/49/40/20/859494020.db2.gz XFEHBEZBQVKKEY-UHFFFAOYSA-N 1 3 375.520 3.578 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000509023874 860580794 /nfs/dbraw/zinc/58/07/94/860580794.db2.gz OWOIITHIPOOTTL-HXUWFJFHSA-N 1 3 394.991 3.706 20 0 GHADHO C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522469761 860721019 /nfs/dbraw/zinc/72/10/19/860721019.db2.gz OPDTYBSWSHYLCA-GBXCKJPGSA-N 1 3 391.559 3.777 20 0 GHADHO C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522469762 860721226 /nfs/dbraw/zinc/72/12/26/860721226.db2.gz OPDTYBSWSHYLCA-HYBUGGRVSA-N 1 3 391.559 3.777 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000667853324 860856427 /nfs/dbraw/zinc/85/64/27/860856427.db2.gz IATXTJCFIMNEKA-QGZVFWFLSA-N 1 3 378.520 3.986 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000667853324 860856436 /nfs/dbraw/zinc/85/64/36/860856436.db2.gz IATXTJCFIMNEKA-QGZVFWFLSA-N 1 3 378.520 3.986 20 0 GHADHO C[C@H]1C[C@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000444102615 863423104 /nfs/dbraw/zinc/42/31/04/863423104.db2.gz FXKUGVFJZKAFGU-OALUTQOASA-N 1 3 392.632 3.697 20 0 GHADHO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522830917 863509841 /nfs/dbraw/zinc/50/98/41/863509841.db2.gz NLQCLSARTRNUFG-JOCHJYFZSA-N 1 3 392.547 3.918 20 0 GHADHO CCOC(=O)c1cccc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898519762 864080953 /nfs/dbraw/zinc/08/09/53/864080953.db2.gz RAFFTQXMYCJUKR-HKBOAZHASA-N 1 3 393.531 3.649 20 0 GHADHO CCOC(=O)c1cccc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898519762 864080968 /nfs/dbraw/zinc/08/09/68/864080968.db2.gz RAFFTQXMYCJUKR-HKBOAZHASA-N 1 3 393.531 3.649 20 0 GHADHO CCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475171957 864394823 /nfs/dbraw/zinc/39/48/23/864394823.db2.gz GFYGJWGXFVARMJ-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO CCCN(C)[C@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000554586480 864583493 /nfs/dbraw/zinc/58/34/93/864583493.db2.gz ISYWXVJBGHRAER-HXUWFJFHSA-N 1 3 394.991 3.754 20 0 GHADHO C[NH+](C)C1(CNC(=O)c2cccc(CN3CCCCC3)c2)Cc2ccccc2C1 ZINC000622390574 864971838 /nfs/dbraw/zinc/97/18/38/864971838.db2.gz FUGIUIRYSJAUOH-UHFFFAOYSA-N 1 3 391.559 3.502 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(C2CCCCC2)cc1 ZINC000168930465 865017757 /nfs/dbraw/zinc/01/77/57/865017757.db2.gz KGNVWVNHEYKYOJ-OAQYLSRUSA-N 1 3 387.612 3.775 20 0 GHADHO CC(C)C[NH+]1CCC(N[C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000128496741 865668599 /nfs/dbraw/zinc/66/85/99/865668599.db2.gz FOCGJLTZJQFZFN-HNNXBMFYSA-N 1 3 396.373 3.876 20 0 GHADHO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1Cl ZINC000173857254 865849873 /nfs/dbraw/zinc/84/98/73/865849873.db2.gz GATCABJLNKWJJB-AWEZNQCLSA-N 1 3 379.335 3.991 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000552855216 866354450 /nfs/dbraw/zinc/35/44/50/866354450.db2.gz JDVYUGXFUWOEQT-UHFFFAOYSA-N 1 3 397.485 3.518 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCc4c(C)cccc43)CC2)CC1 ZINC000620674061 866930738 /nfs/dbraw/zinc/93/07/38/866930738.db2.gz RZMGOYXIDHJDCZ-QHCPKHFHSA-N 1 3 383.580 3.685 20 0 GHADHO OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)N2CCC[NH+]1CCCCC1 ZINC000444604544 866937960 /nfs/dbraw/zinc/93/79/60/866937960.db2.gz BCLDRRMKWYSOGQ-RLAPIPATSA-N 1 3 378.507 3.741 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000154222101 867307731 /nfs/dbraw/zinc/30/77/31/867307731.db2.gz GCLJBVRYVBSOCJ-KRWDZBQOSA-N 1 3 389.975 3.512 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000154274478 867330996 /nfs/dbraw/zinc/33/09/96/867330996.db2.gz CIRXHFZGAXPNKJ-JKSUJKDBSA-N 1 3 388.383 3.766 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000479465752 867810526 /nfs/dbraw/zinc/81/05/26/867810526.db2.gz PLQSTKSFEBJEOD-RSEQLOHWSA-N 1 3 393.575 3.560 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000479465752 867810532 /nfs/dbraw/zinc/81/05/32/867810532.db2.gz PLQSTKSFEBJEOD-RSEQLOHWSA-N 1 3 393.575 3.560 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCc4sccc43)c2)C1 ZINC000268961934 867863370 /nfs/dbraw/zinc/86/33/70/867863370.db2.gz XLLGXBHNGRYJFX-QUCCMNQESA-N 1 3 383.561 3.613 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCc4sccc43)c2)C1 ZINC000268961934 867863383 /nfs/dbraw/zinc/86/33/83/867863383.db2.gz XLLGXBHNGRYJFX-QUCCMNQESA-N 1 3 383.561 3.613 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000743330607 868094256 /nfs/dbraw/zinc/09/42/56/868094256.db2.gz HTGLBECZKBTPKY-UHFFFAOYSA-N 1 3 379.504 3.828 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)N(C)C)cc1 ZINC000523902541 868252297 /nfs/dbraw/zinc/25/22/97/868252297.db2.gz NBHVXDAYPWAZIN-PTUXOGIPSA-N 1 3 394.563 3.732 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)N(C)C)cc1 ZINC000523902541 868252317 /nfs/dbraw/zinc/25/23/17/868252317.db2.gz NBHVXDAYPWAZIN-PTUXOGIPSA-N 1 3 394.563 3.732 20 0 GHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCC2 ZINC000156905751 868497567 /nfs/dbraw/zinc/49/75/67/868497567.db2.gz PRZDRFJFDVAGGD-KOSHJBKYSA-N 1 3 391.559 3.723 20 0 GHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCC2 ZINC000156905751 868497572 /nfs/dbraw/zinc/49/75/72/868497572.db2.gz PRZDRFJFDVAGGD-KOSHJBKYSA-N 1 3 391.559 3.723 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000156953645 868512199 /nfs/dbraw/zinc/51/21/99/868512199.db2.gz RBDAEJVHPXUFRD-SIKLNZKXSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000156953645 868512208 /nfs/dbraw/zinc/51/22/08/868512208.db2.gz RBDAEJVHPXUFRD-SIKLNZKXSA-N 1 3 397.950 3.814 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000480009688 868897559 /nfs/dbraw/zinc/89/75/59/868897559.db2.gz GFHFDWCQDWJUQE-FDDCHVKYSA-N 1 3 384.568 3.716 20 0 GHADHO Cn1cc(CNC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000121794931 882284139 /nfs/dbraw/zinc/28/41/39/882284139.db2.gz SCFMDHPJXKMBJQ-QHCPKHFHSA-N 1 3 375.520 3.626 20 0 GHADHO Cn1cc(CNC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000121794931 882284156 /nfs/dbraw/zinc/28/41/56/882284156.db2.gz SCFMDHPJXKMBJQ-QHCPKHFHSA-N 1 3 375.520 3.626 20 0 GHADHO CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(Cl)s1 ZINC000539690334 869612002 /nfs/dbraw/zinc/61/20/02/869612002.db2.gz SZIXDVXGRWKURC-SJORKVTESA-N 1 3 393.984 3.731 20 0 GHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818348 869845987 /nfs/dbraw/zinc/84/59/87/869845987.db2.gz WSHKWKATMZNALW-ZBFHGGJFSA-N 1 3 397.357 3.915 20 0 GHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818348 869846000 /nfs/dbraw/zinc/84/60/00/869846000.db2.gz WSHKWKATMZNALW-ZBFHGGJFSA-N 1 3 397.357 3.915 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(C3CCCC3)cc2)cc1 ZINC000462797576 870072744 /nfs/dbraw/zinc/07/27/44/870072744.db2.gz DUIJHAKFLKUCDE-UHFFFAOYSA-N 1 3 379.548 3.925 20 0 GHADHO CC1(C)C[C@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc21 ZINC000248118369 870289236 /nfs/dbraw/zinc/28/92/36/870289236.db2.gz MZTBXQHDFXNCNM-OFNKIYASSA-N 1 3 391.559 3.896 20 0 GHADHO CC1(C)C[C@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc21 ZINC000248118369 870289249 /nfs/dbraw/zinc/28/92/49/870289249.db2.gz MZTBXQHDFXNCNM-OFNKIYASSA-N 1 3 391.559 3.896 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCC1CCCCC1 ZINC000540044810 870293104 /nfs/dbraw/zinc/29/31/04/870293104.db2.gz NQILTYFZWOQITI-UHFFFAOYSA-N 1 3 386.584 3.707 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1N(C)C ZINC000248434010 870414769 /nfs/dbraw/zinc/41/47/69/870414769.db2.gz DPSXHSLUIMJRME-UTKZUKDTSA-N 1 3 385.527 3.699 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1N(C)C ZINC000248434010 870414776 /nfs/dbraw/zinc/41/47/76/870414776.db2.gz DPSXHSLUIMJRME-UTKZUKDTSA-N 1 3 385.527 3.699 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000463007698 870654302 /nfs/dbraw/zinc/65/43/02/870654302.db2.gz GWBLBEHTHQCHFN-AUSIDOKSSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540245423 870848925 /nfs/dbraw/zinc/84/89/25/870848925.db2.gz PKBUJNYMZVSJFM-BRWVUGGUSA-N 1 3 382.495 3.616 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC001193248536 870973820 /nfs/dbraw/zinc/97/38/20/870973820.db2.gz FFRXDZLSECXCBB-FCGDIQPGSA-N 1 3 379.589 3.732 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CCN1Cc1ccccc1 ZINC000463134449 870979094 /nfs/dbraw/zinc/97/90/94/870979094.db2.gz ZLQKGKYZVYNSMD-PXDATVDWSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@H](NCc2cccc(CN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134449 870979103 /nfs/dbraw/zinc/97/91/03/870979103.db2.gz ZLQKGKYZVYNSMD-PXDATVDWSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@H](NCc2cccc(CN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134449 870979107 /nfs/dbraw/zinc/97/91/07/870979107.db2.gz ZLQKGKYZVYNSMD-PXDATVDWSA-N 1 3 393.575 3.662 20 0 GHADHO COCC[NH+]1CCC(NC[C@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000461800286 871026431 /nfs/dbraw/zinc/02/64/31/871026431.db2.gz SKRFRTPBAUADLO-JOCHJYFZSA-N 1 3 399.604 3.548 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCc3ccccc3N1C(=O)OC(C)(C)C)C2 ZINC001169111831 871240393 /nfs/dbraw/zinc/24/03/93/871240393.db2.gz QFMMGKKMMNNEQK-HAGHYFMRSA-N 1 3 385.552 3.958 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463277510 871312636 /nfs/dbraw/zinc/31/26/36/871312636.db2.gz CQDDTYSMIFVXKJ-TWHAJKEOSA-N 1 3 382.552 3.766 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463277510 871312661 /nfs/dbraw/zinc/31/26/61/871312661.db2.gz CQDDTYSMIFVXKJ-TWHAJKEOSA-N 1 3 382.552 3.766 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463277308 871312913 /nfs/dbraw/zinc/31/29/13/871312913.db2.gz CQDDTYSMIFVXKJ-HGSOSGBHSA-N 1 3 382.552 3.766 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463277308 871312933 /nfs/dbraw/zinc/31/29/33/871312933.db2.gz CQDDTYSMIFVXKJ-HGSOSGBHSA-N 1 3 382.552 3.766 20 0 GHADHO CCOC(=O)N1CCC[C@@H](N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001169669662 871739388 /nfs/dbraw/zinc/73/93/88/871739388.db2.gz UBRVCLJMPJHDHS-LJQANCHMSA-N 1 3 393.959 3.687 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NCCOc1ccc(Cl)cn1)c1ccccc1O2 ZINC000539395692 871849966 /nfs/dbraw/zinc/84/99/66/871849966.db2.gz YHWPZWNKHYAHCD-GOSISDBHSA-N 1 3 387.911 3.692 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030924 872382860 /nfs/dbraw/zinc/38/28/60/872382860.db2.gz YKZZFQJSEFDODS-PMACEKPBSA-N 1 3 379.548 3.819 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030924 872382880 /nfs/dbraw/zinc/38/28/80/872382880.db2.gz YKZZFQJSEFDODS-PMACEKPBSA-N 1 3 379.548 3.819 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000619363360 872576861 /nfs/dbraw/zinc/57/68/61/872576861.db2.gz ZWXZHEYTJNGAJO-ZHALLVOQSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000619363360 872576870 /nfs/dbraw/zinc/57/68/70/872576870.db2.gz ZWXZHEYTJNGAJO-ZHALLVOQSA-N 1 3 380.602 3.551 20 0 GHADHO C[C@@H](Cc1ccsc1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000541226160 873189736 /nfs/dbraw/zinc/18/97/36/873189736.db2.gz XVEIAWWQGOXMRK-IBGZPJMESA-N 1 3 399.604 3.639 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000448420842 873355151 /nfs/dbraw/zinc/35/51/51/873355151.db2.gz HTBLAPIOFOFQME-LEWJYISDSA-N 1 3 389.559 3.522 20 0 GHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000448420842 873355168 /nfs/dbraw/zinc/35/51/68/873355168.db2.gz HTBLAPIOFOFQME-LEWJYISDSA-N 1 3 389.559 3.522 20 0 GHADHO c1coc([C@H](NCCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)c1 ZINC000541545423 873804504 /nfs/dbraw/zinc/80/45/04/873804504.db2.gz FKAAUSMGEKSZMJ-HSZRJFAPSA-N 1 3 376.504 3.566 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000527933542 873808157 /nfs/dbraw/zinc/80/81/57/873808157.db2.gz OWQSAOWZSZETQA-VQIMIIECSA-N 1 3 380.458 3.672 20 0 GHADHO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000528003808 873872643 /nfs/dbraw/zinc/87/26/43/873872643.db2.gz MOBZBLMTQMIJLY-SRYPRDQNSA-N 1 3 375.516 3.599 20 0 GHADHO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000744414020 874017208 /nfs/dbraw/zinc/01/72/08/874017208.db2.gz CQMWCJVNGOOENM-DENIHFKCSA-N 1 3 386.584 3.668 20 0 GHADHO CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000744414020 874017218 /nfs/dbraw/zinc/01/72/18/874017218.db2.gz CQMWCJVNGOOENM-DENIHFKCSA-N 1 3 386.584 3.668 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000769497814 874104395 /nfs/dbraw/zinc/10/43/95/874104395.db2.gz BWZWEIFWQFBLHW-HXUWFJFHSA-N 1 3 379.589 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000769497814 874104402 /nfs/dbraw/zinc/10/44/02/874104402.db2.gz BWZWEIFWQFBLHW-HXUWFJFHSA-N 1 3 379.589 3.831 20 0 GHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769513598 874121165 /nfs/dbraw/zinc/12/11/65/874121165.db2.gz CPAASLLCPASBES-FQEVSTJZSA-N 1 3 379.589 3.687 20 0 GHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769513598 874121167 /nfs/dbraw/zinc/12/11/67/874121167.db2.gz CPAASLLCPASBES-FQEVSTJZSA-N 1 3 379.589 3.687 20 0 GHADHO C[C@H](CNCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449093584 874495728 /nfs/dbraw/zinc/49/57/28/874495728.db2.gz PCUKQHYJXHGXRO-KZNAEPCWSA-N 1 3 380.598 3.540 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000449187264 874580092 /nfs/dbraw/zinc/58/00/92/874580092.db2.gz QELOPAPPNDIFGP-RDPSFJRHSA-N 1 3 397.607 3.853 20 0 GHADHO CN(CCC(=O)NCc1ccccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843355 874619310 /nfs/dbraw/zinc/61/93/10/874619310.db2.gz TZSZXPSXBDFNNA-FQEVSTJZSA-N 1 3 399.966 3.800 20 0 GHADHO CN(CCC(=O)NCc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843355 874619319 /nfs/dbraw/zinc/61/93/19/874619319.db2.gz TZSZXPSXBDFNNA-FQEVSTJZSA-N 1 3 399.966 3.800 20 0 GHADHO CNC(=O)C[C@@H]([NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449299741 874686940 /nfs/dbraw/zinc/68/69/40/874686940.db2.gz MVDOJBRILGKEAR-AUSIDOKSSA-N 1 3 379.548 3.549 20 0 GHADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C3(C2)CCOCC3)cc1 ZINC000449346116 874739567 /nfs/dbraw/zinc/73/95/67/874739567.db2.gz YJUJDFRLTVYXMP-VXKWHMMOSA-N 1 3 384.564 3.607 20 0 GHADHO C[NH+](C)Cc1ccc(-c2ccccc2CNCc2cc(C(N)=O)cs2)cc1 ZINC001199170964 874836121 /nfs/dbraw/zinc/83/61/21/874836121.db2.gz RUYLTGBZKGPHGY-UHFFFAOYSA-N 1 3 379.529 3.865 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)CC1 ZINC000449545711 875009059 /nfs/dbraw/zinc/00/90/59/875009059.db2.gz ZHVYKPMIAMTVKA-LADGPHEKSA-N 1 3 394.563 3.624 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC001201416680 875679021 /nfs/dbraw/zinc/67/90/21/875679021.db2.gz QRYYLZIWLNCLBR-DNQXCXABSA-N 1 3 398.522 3.872 20 0 GHADHO CC[C@@H](C)[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000303956452 876123852 /nfs/dbraw/zinc/12/38/52/876123852.db2.gz KPUWASCURUHUST-IFMALSPDSA-N 1 3 385.596 3.883 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2c(C)cccc2Cl)CC1 ZINC000450267926 876192299 /nfs/dbraw/zinc/19/22/99/876192299.db2.gz YIDIKXDQEMPPNL-UHFFFAOYSA-N 1 3 379.976 3.709 20 0 GHADHO CCSCC[C@H](C)N(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000174038354 876790911 /nfs/dbraw/zinc/79/09/11/876790911.db2.gz DWXHCJBKQUHLLB-IBGZPJMESA-N 1 3 391.625 3.539 20 0 GHADHO CCc1ccc2nccc(N3CCC[C@@H](C[N@@H+]4CCCN(C(C)=O)CC4)C3)c2c1 ZINC000450775561 876910974 /nfs/dbraw/zinc/91/09/74/876910974.db2.gz PUAJCIDLXBQRQX-NRFANRHFSA-N 1 3 394.563 3.568 20 0 GHADHO CCc1ccc2nccc(N3CCC[C@@H](C[N@H+]4CCCN(C(C)=O)CC4)C3)c2c1 ZINC000450775561 876910981 /nfs/dbraw/zinc/91/09/81/876910981.db2.gz PUAJCIDLXBQRQX-NRFANRHFSA-N 1 3 394.563 3.568 20 0 GHADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850442613 876925854 /nfs/dbraw/zinc/92/58/54/876925854.db2.gz NJXQFLZJBCXMJU-GOSISDBHSA-N 1 3 397.485 3.875 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000729600317 883116832 /nfs/dbraw/zinc/11/68/32/883116832.db2.gz QJEDKRWDFNUZPS-WMZHIEFXSA-N 1 3 394.563 3.725 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000642638110 912238484 /nfs/dbraw/zinc/23/84/84/912238484.db2.gz GIDIZPDMSBVTMT-GOTSBHOMSA-N 1 3 394.563 3.643 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000642642326 912241233 /nfs/dbraw/zinc/24/12/33/912241233.db2.gz WJVWOKCSRJEUPW-HSZRJFAPSA-N 1 3 394.563 3.602 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cccc(CN(C)C)c3)C2)s1 ZINC000552003311 878142384 /nfs/dbraw/zinc/14/23/84/878142384.db2.gz YCQZIYFOCAFWKY-IBGZPJMESA-N 1 3 385.577 3.712 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cccc(CN(C)C)c3)C2)s1 ZINC000552003311 878142394 /nfs/dbraw/zinc/14/23/94/878142394.db2.gz YCQZIYFOCAFWKY-IBGZPJMESA-N 1 3 385.577 3.712 20 0 GHADHO COc1ccc([C@@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245654216 878294226 /nfs/dbraw/zinc/29/42/26/878294226.db2.gz DEGKCDHCQHRCJR-JTOYRKQZSA-N 1 3 380.532 3.904 20 0 GHADHO Cc1c([C@@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)nnn1-c1ccc(C)cc1 ZINC000537935189 878546530 /nfs/dbraw/zinc/54/65/30/878546530.db2.gz ZFRJDENZICZKHD-GOSISDBHSA-N 1 3 390.535 3.846 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000537953420 878578977 /nfs/dbraw/zinc/57/89/77/878578977.db2.gz SPJRUDXYLACACV-APWZRJJASA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000537953420 878578986 /nfs/dbraw/zinc/57/89/86/878578986.db2.gz SPJRUDXYLACACV-APWZRJJASA-N 1 3 393.453 3.979 20 0 GHADHO OC[C@@H](CNC1CC[NH+](C2CCCC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000537956819 878584301 /nfs/dbraw/zinc/58/43/01/878584301.db2.gz HXAVADFYOXXFRN-QGZVFWFLSA-N 1 3 384.486 3.853 20 0 GHADHO OC[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000537956819 878584316 /nfs/dbraw/zinc/58/43/16/878584316.db2.gz HXAVADFYOXXFRN-QGZVFWFLSA-N 1 3 384.486 3.853 20 0 GHADHO CN1CCN(c2cc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cc3)ccn2)CC1 ZINC000177222660 878605411 /nfs/dbraw/zinc/60/54/11/878605411.db2.gz SPWVQJNUUMIAKS-DEOSSOPVSA-N 1 3 390.506 3.852 20 0 GHADHO C[NH+]1CCN(c2cc(CN[C@@H](c3ccccc3)c3ccc(F)cc3)ccn2)CC1 ZINC000177222660 878605415 /nfs/dbraw/zinc/60/54/15/878605415.db2.gz SPWVQJNUUMIAKS-DEOSSOPVSA-N 1 3 390.506 3.852 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000537975195 878610477 /nfs/dbraw/zinc/61/04/77/878610477.db2.gz FLWXCZPXIWVNAN-JTHBVZDNSA-N 1 3 385.596 3.522 20 0 GHADHO Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)s2)cn1 ZINC000509473698 878620743 /nfs/dbraw/zinc/62/07/43/878620743.db2.gz XDKHMAFMVASVNF-LJQANCHMSA-N 1 3 380.561 3.803 20 0 GHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177350384 878659010 /nfs/dbraw/zinc/65/90/10/878659010.db2.gz XQKOIILJTWZPDX-QHCPKHFHSA-N 1 3 398.595 3.920 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285708701 912399400 /nfs/dbraw/zinc/39/94/00/912399400.db2.gz ORLCWKFIPBQKMG-XMMPIXPASA-N 1 3 392.547 3.878 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285708701 912399429 /nfs/dbraw/zinc/39/94/29/912399429.db2.gz ORLCWKFIPBQKMG-XMMPIXPASA-N 1 3 392.547 3.878 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000246279974 879334582 /nfs/dbraw/zinc/33/45/82/879334582.db2.gz BLOQOCVBOWANAF-GDIGMMSISA-N 1 3 381.358 3.868 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)[C@@H](C)C1 ZINC000246489129 879616193 /nfs/dbraw/zinc/61/61/93/879616193.db2.gz RLOYLQARMMUYQB-ILWGZMRPSA-N 1 3 386.584 3.504 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)[C@@H](C)C1 ZINC000246489129 879616195 /nfs/dbraw/zinc/61/61/95/879616195.db2.gz RLOYLQARMMUYQB-ILWGZMRPSA-N 1 3 386.584 3.504 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@H]1C ZINC000531378325 879691151 /nfs/dbraw/zinc/69/11/51/879691151.db2.gz BFCKNAXZCMUBCE-HSALFYBXSA-N 1 3 379.548 3.960 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@H]1C ZINC000531378325 879691167 /nfs/dbraw/zinc/69/11/67/879691167.db2.gz BFCKNAXZCMUBCE-HSALFYBXSA-N 1 3 379.548 3.960 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247338051 879974945 /nfs/dbraw/zinc/97/49/45/879974945.db2.gz NLQVBAKXYMIGKV-LVVCFHABSA-N 1 3 396.575 3.876 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247338051 879974962 /nfs/dbraw/zinc/97/49/62/879974962.db2.gz NLQVBAKXYMIGKV-LVVCFHABSA-N 1 3 396.575 3.876 20 0 GHADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)CN1CCCCC1 ZINC000531684169 880314846 /nfs/dbraw/zinc/31/48/46/880314846.db2.gz LYHWYIVJHLSGLG-ROUUACIJSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@@H](CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000531684169 880314862 /nfs/dbraw/zinc/31/48/62/880314862.db2.gz LYHWYIVJHLSGLG-ROUUACIJSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000531693262 880348274 /nfs/dbraw/zinc/34/82/74/880348274.db2.gz FCERZXFBRWJEPV-AWEZNQCLSA-N 1 3 394.357 3.773 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCN(c4ccccn4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453172312 880575670 /nfs/dbraw/zinc/57/56/70/880575670.db2.gz MUQVVKHSIZGFMQ-LUKWVAJMSA-N 1 3 376.548 3.693 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCN(c4ccccn4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453172312 880575677 /nfs/dbraw/zinc/57/56/77/880575677.db2.gz MUQVVKHSIZGFMQ-LUKWVAJMSA-N 1 3 376.548 3.693 20 0 GHADHO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1sccc1Br ZINC000531938377 880793820 /nfs/dbraw/zinc/79/38/20/880793820.db2.gz WYACVHSXAREFFI-ZDUSSCGKSA-N 1 3 395.370 3.508 20 0 GHADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000776865034 880912508 /nfs/dbraw/zinc/91/25/08/880912508.db2.gz NIIXQECWPBXSDM-IWFBPKFRSA-N 1 3 379.589 3.876 20 0 GHADHO CC[C@@H]1C[C@H]([NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)CCO1 ZINC001170214470 881218355 /nfs/dbraw/zinc/21/83/55/881218355.db2.gz PIOZGHFJKKBAAZ-CEXWTWQISA-N 1 3 378.582 3.761 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000729600315 883268450 /nfs/dbraw/zinc/26/84/50/883268450.db2.gz QJEDKRWDFNUZPS-AUSIDOKSSA-N 1 3 394.563 3.725 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccco1 ZINC000476986360 883540467 /nfs/dbraw/zinc/54/04/67/883540467.db2.gz VKTKQQRKYXGVEJ-WIYYLYMNSA-N 1 3 398.551 3.804 20 0 GHADHO CC1(C)[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@H]2CCCO[C@H]21 ZINC000551265612 883575763 /nfs/dbraw/zinc/57/57/63/883575763.db2.gz WPHNVXSYJXROGL-SSGKUCQKSA-N 1 3 398.591 3.708 20 0 GHADHO Cc1ccccc1SC[C@@H](C)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000859207432 883661569 /nfs/dbraw/zinc/66/15/69/883661569.db2.gz YGZBDDWTZHGYLG-WTBLGDFPSA-N 1 3 387.637 3.966 20 0 GHADHO Cc1ccccc1SC[C@@H](C)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000859207432 883661575 /nfs/dbraw/zinc/66/15/75/883661575.db2.gz YGZBDDWTZHGYLG-WTBLGDFPSA-N 1 3 387.637 3.966 20 0 GHADHO C(=C/C[N@@H+]1CC[C@H](Nc2ccccc2)C1)\CN1CC[C@H](Nc2ccccc2)C1 ZINC000102845836 884499023 /nfs/dbraw/zinc/49/90/23/884499023.db2.gz MAXZKEJYTPMFJS-NOBCDRQISA-N 1 3 376.548 3.915 20 0 GHADHO C(=C/C[N@H+]1CC[C@H](Nc2ccccc2)C1)\CN1CC[C@H](Nc2ccccc2)C1 ZINC000102845836 884499026 /nfs/dbraw/zinc/49/90/26/884499026.db2.gz MAXZKEJYTPMFJS-NOBCDRQISA-N 1 3 376.548 3.915 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000495163419 884700186 /nfs/dbraw/zinc/70/01/86/884700186.db2.gz BCKXSKCIOCSYDD-FIKGOQFSSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000495163419 884700209 /nfs/dbraw/zinc/70/02/09/884700209.db2.gz BCKXSKCIOCSYDD-FIKGOQFSSA-N 1 3 397.966 3.784 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccccc2CN(C)C)C1 ZINC000498566203 884856493 /nfs/dbraw/zinc/85/64/93/884856493.db2.gz BZGJRTZCUGBYMR-IBGZPJMESA-N 1 3 379.548 3.910 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2CN(C)C)C1 ZINC000498566203 884856502 /nfs/dbraw/zinc/85/65/02/884856502.db2.gz BZGJRTZCUGBYMR-IBGZPJMESA-N 1 3 379.548 3.910 20 0 GHADHO CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455875146 885162866 /nfs/dbraw/zinc/16/28/66/885162866.db2.gz APJOPXHRQGRAIA-FQEVSTJZSA-N 1 3 386.565 3.893 20 0 GHADHO COC(=O)[C@@H]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001170523711 885424829 /nfs/dbraw/zinc/42/48/29/885424829.db2.gz IECYTPLKHIJEAO-SBFWRKJZSA-N 1 3 392.543 3.976 20 0 GHADHO COC(=O)[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001170523711 885424834 /nfs/dbraw/zinc/42/48/34/885424834.db2.gz IECYTPLKHIJEAO-SBFWRKJZSA-N 1 3 392.543 3.976 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000303130344 885462582 /nfs/dbraw/zinc/46/25/82/885462582.db2.gz KFPKJKJLCQBDQG-ONTIZHBOSA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000303130344 885462591 /nfs/dbraw/zinc/46/25/91/885462591.db2.gz KFPKJKJLCQBDQG-ONTIZHBOSA-N 1 3 386.584 3.552 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001184206216 913071987 /nfs/dbraw/zinc/07/19/87/913071987.db2.gz IPKIWDWDLKDIAT-LFGUQSLTSA-N 1 3 379.589 3.922 20 0 GHADHO C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915493045 887098150 /nfs/dbraw/zinc/09/81/50/887098150.db2.gz NFOBLRSLVAVUBU-CVDCTZTESA-N 1 3 398.595 3.523 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2cnc(C3OCCO3)s2)C[N@@H+]1Cc1ccccc1 ZINC000809629572 887627880 /nfs/dbraw/zinc/62/78/80/887627880.db2.gz VENNJZYAMVSMJU-AEFFLSMTSA-N 1 3 387.549 3.579 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629572 887627888 /nfs/dbraw/zinc/62/78/88/887627888.db2.gz VENNJZYAMVSMJU-AEFFLSMTSA-N 1 3 387.549 3.579 20 0 GHADHO CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001184406040 913168940 /nfs/dbraw/zinc/16/89/40/913168940.db2.gz WWGZZXOTXSRWJT-GOSISDBHSA-N 1 3 377.960 3.543 20 0 GHADHO CCOc1cc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1O ZINC000459364908 887731584 /nfs/dbraw/zinc/73/15/84/887731584.db2.gz WRMIRYXMJSPLLI-QZTJIDSGSA-N 1 3 376.541 3.502 20 0 GHADHO CCOc1cc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1O ZINC000459364908 887731595 /nfs/dbraw/zinc/73/15/95/887731595.db2.gz WRMIRYXMJSPLLI-QZTJIDSGSA-N 1 3 376.541 3.502 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000809738851 887775616 /nfs/dbraw/zinc/77/56/16/887775616.db2.gz MQFXKINMESMRAF-UHFFFAOYSA-N 1 3 378.520 3.693 20 0 GHADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758660 887780640 /nfs/dbraw/zinc/78/06/40/887780640.db2.gz MCCDRTRWPNJBIJ-INIZCTEOSA-N 1 3 392.975 3.601 20 0 GHADHO O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184406466 913205268 /nfs/dbraw/zinc/20/52/68/913205268.db2.gz ZJIQMQRPLSSKKH-LJQANCHMSA-N 1 3 391.987 3.981 20 0 GHADHO [NH3+]Cc1cccc(NC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC001170597220 888168879 /nfs/dbraw/zinc/16/88/79/888168879.db2.gz WDYLMCUJKIAOFR-DEOSSOPVSA-N 1 3 375.516 3.621 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)CNC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000644513460 913325024 /nfs/dbraw/zinc/32/50/24/913325024.db2.gz JSXBGOODSDPOMM-ILBGXUMGSA-N 1 3 396.575 3.924 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000644530794 913344567 /nfs/dbraw/zinc/34/45/67/913344567.db2.gz OXHGRCLBZOHIIY-XZOQPEGZSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644530794 913344597 /nfs/dbraw/zinc/34/45/97/913344597.db2.gz OXHGRCLBZOHIIY-XZOQPEGZSA-N 1 3 382.548 3.545 20 0 GHADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871890169 891077006 /nfs/dbraw/zinc/07/70/06/891077006.db2.gz USRKAWHIRLCZBY-QFIPXVFZSA-N 1 3 380.536 3.609 20 0 GHADHO Cc1ccsc1[C@H](Cc1ccccc1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128121363 891427178 /nfs/dbraw/zinc/42/71/78/891427178.db2.gz FAYFEJXAZXTYGC-PMACEKPBSA-N 1 3 385.577 3.517 20 0 GHADHO Cc1ccsc1[C@H](Cc1ccccc1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128121363 891427187 /nfs/dbraw/zinc/42/71/87/891427187.db2.gz FAYFEJXAZXTYGC-PMACEKPBSA-N 1 3 385.577 3.517 20 0 GHADHO CC[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccccc1OC(F)F ZINC000873247649 891548738 /nfs/dbraw/zinc/54/87/38/891548738.db2.gz RFAOSYPJRXIGQV-SFHVURJKSA-N 1 3 387.434 3.568 20 0 GHADHO O[C@@H](CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cc1F ZINC000813371238 891553329 /nfs/dbraw/zinc/55/33/29/891553329.db2.gz SKXRXYGDFBHPHM-QFIPXVFZSA-N 1 3 386.486 3.986 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001275367544 913582194 /nfs/dbraw/zinc/58/21/94/913582194.db2.gz KYFBSYIURUVWOD-OAQYLSRUSA-N 1 3 385.577 3.551 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001275367544 913582207 /nfs/dbraw/zinc/58/22/07/913582207.db2.gz KYFBSYIURUVWOD-OAQYLSRUSA-N 1 3 385.577 3.551 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)c(Cl)cc3OC)CC2)CC1 ZINC000888626915 891709025 /nfs/dbraw/zinc/70/90/25/891709025.db2.gz NQAJNKDLYWINOR-UHFFFAOYSA-N 1 3 397.922 3.623 20 0 GHADHO CCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000161590449 891762024 /nfs/dbraw/zinc/76/20/24/891762024.db2.gz MSNGRQRWQNVNDT-CQSZACIVSA-N 1 3 382.346 3.630 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497702793 892235090 /nfs/dbraw/zinc/23/50/90/892235090.db2.gz IYSHVAJXYBGOFV-UHFFFAOYSA-N 1 3 388.600 3.792 20 0 GHADHO COc1c(Br)cc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000666852224 893364419 /nfs/dbraw/zinc/36/44/19/893364419.db2.gz RJNORRAJPNRABX-QWRGUYRKSA-N 1 3 392.135 3.580 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000533892468 893382898 /nfs/dbraw/zinc/38/28/98/893382898.db2.gz PFTGKIZCKNNCAL-GOTSBHOMSA-N 1 3 394.563 3.771 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000533892468 893382916 /nfs/dbraw/zinc/38/29/16/893382916.db2.gz PFTGKIZCKNNCAL-GOTSBHOMSA-N 1 3 394.563 3.771 20 0 GHADHO Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2cccs2)cc1 ZINC000563153656 893412511 /nfs/dbraw/zinc/41/25/11/893412511.db2.gz CRXRMCZTAWLBDI-VIZSFHNOSA-N 1 3 397.588 3.584 20 0 GHADHO COc1ccc(-c2ccccc2C)cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000459521660 893718973 /nfs/dbraw/zinc/71/89/73/893718973.db2.gz FONDAONWQQEEHB-UHFFFAOYSA-N 1 3 381.564 3.786 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999103 894205693 /nfs/dbraw/zinc/20/56/93/894205693.db2.gz YEYCZHHMSBIRNW-FYYLOGMGSA-N 1 3 395.522 3.764 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999103 894205712 /nfs/dbraw/zinc/20/57/12/894205712.db2.gz YEYCZHHMSBIRNW-FYYLOGMGSA-N 1 3 395.522 3.764 20 0 GHADHO O[C@H](CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cn1 ZINC000878816533 894640757 /nfs/dbraw/zinc/64/07/57/894640757.db2.gz YTGDVKWNIQWOIR-JOCHJYFZSA-N 1 3 383.511 3.632 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)cc2)CC1 ZINC001135596666 894854017 /nfs/dbraw/zinc/85/40/17/894854017.db2.gz GPMNAWHAOIGSAJ-JOCHJYFZSA-N 1 3 384.568 3.564 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2)CC1 ZINC001135596666 894854032 /nfs/dbraw/zinc/85/40/32/894854032.db2.gz GPMNAWHAOIGSAJ-JOCHJYFZSA-N 1 3 384.568 3.564 20 0 GHADHO COc1cc(C)c(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000564538448 895064703 /nfs/dbraw/zinc/06/47/03/895064703.db2.gz WIYBSESAZHAKIL-IRLDBZIGSA-N 1 3 380.532 3.966 20 0 GHADHO COc1cc(C)c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000564538448 895064716 /nfs/dbraw/zinc/06/47/16/895064716.db2.gz WIYBSESAZHAKIL-IRLDBZIGSA-N 1 3 380.532 3.966 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)CC2)CC1 ZINC000565193258 895452224 /nfs/dbraw/zinc/45/22/24/895452224.db2.gz XLCRKGHHEVHECJ-FYYLOGMGSA-N 1 3 397.607 3.710 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](c4ccc(C)cc4)C[C@@H]3C)CC2)CC1 ZINC000565548551 895715470 /nfs/dbraw/zinc/71/54/70/895715470.db2.gz JBDXIUHWNUMGIR-REWPJTCUSA-N 1 3 397.607 3.896 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)c2ncccc2C)CC1 ZINC000565569084 895729960 /nfs/dbraw/zinc/72/99/60/895729960.db2.gz RJJQNLLYCTZKAH-UHFFFAOYSA-N 1 3 380.580 3.989 20 0 GHADHO CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1=O ZINC000817589407 895757557 /nfs/dbraw/zinc/75/75/57/895757557.db2.gz NIMWKMFXTCTIJR-RTBURBONSA-N 1 3 387.568 3.590 20 0 GHADHO Cc1cccc(C)c1OC[C@@H](O)CNC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000566792339 896577590 /nfs/dbraw/zinc/57/75/90/896577590.db2.gz SUZBAVGKZDPCFL-REWPJTCUSA-N 1 3 382.548 3.858 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000132316744 897752396 /nfs/dbraw/zinc/75/23/96/897752396.db2.gz XNMFTDKPKWMKET-OTWHNJEPSA-N 1 3 386.584 3.664 20 0 GHADHO Cc1cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc(N2CCCC2)n1 ZINC000289690790 914297850 /nfs/dbraw/zinc/29/78/50/914297850.db2.gz IDFXGMHJWINTHN-LJQANCHMSA-N 1 3 382.552 3.781 20 0 GHADHO CSc1ccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000570488336 899341598 /nfs/dbraw/zinc/34/15/98/899341598.db2.gz WYEMAXYZQFHGBA-UHFFFAOYSA-N 1 3 389.590 3.585 20 0 GHADHO C[C@@H]1C[C@@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc21 ZINC000572519470 900213741 /nfs/dbraw/zinc/21/37/41/900213741.db2.gz FMIQRERTWCQBDD-DHJUGAMNSA-N 1 3 377.532 3.722 20 0 GHADHO C[C@@H]1C[C@@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc21 ZINC000572519470 900213744 /nfs/dbraw/zinc/21/37/44/900213744.db2.gz FMIQRERTWCQBDD-DHJUGAMNSA-N 1 3 377.532 3.722 20 0 GHADHO CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000573813319 900643713 /nfs/dbraw/zinc/64/37/13/900643713.db2.gz NZRDTFYSXYZKCB-PKOBYXMFSA-N 1 3 385.552 3.851 20 0 GHADHO FC(F)(F)CN1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886521137 901117347 /nfs/dbraw/zinc/11/73/47/901117347.db2.gz VGIPWODLMRJBNC-IHPCNDPISA-N 1 3 381.486 3.656 20 0 GHADHO CC(C)n1ncc2cc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)CC[C@@H]4C3)cnc21 ZINC000576197073 901794993 /nfs/dbraw/zinc/79/49/93/901794993.db2.gz UGXOSUJWYUFZMJ-FYYLOGMGSA-N 1 3 389.547 3.966 20 0 GHADHO CC(C)n1ncc2cc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)CC[C@@H]4C3)cnc21 ZINC000576197073 901794999 /nfs/dbraw/zinc/79/49/99/901794999.db2.gz UGXOSUJWYUFZMJ-FYYLOGMGSA-N 1 3 389.547 3.966 20 0 GHADHO CN(c1ccccc1CNCc1ccc(-n2cccn2)cc1)C1CC[NH+](C)CC1 ZINC000123103620 901898325 /nfs/dbraw/zinc/89/83/25/901898325.db2.gz JPAMQDRPCJVEPY-UHFFFAOYSA-N 1 3 389.547 3.693 20 0 GHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(OCc2nccn2C)cc1 ZINC000123628795 901955671 /nfs/dbraw/zinc/95/56/71/901955671.db2.gz MHQRWWHDHGLPTQ-SFHVURJKSA-N 1 3 378.520 3.912 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccco1 ZINC000576369630 901978804 /nfs/dbraw/zinc/97/88/04/901978804.db2.gz QHYQRTCVSCKLPF-TYPHKJRUSA-N 1 3 398.551 3.845 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000577864309 903284160 /nfs/dbraw/zinc/28/41/60/903284160.db2.gz HEWGRZYHIFWOJO-LJQANCHMSA-N 1 3 397.607 3.939 20 0 GHADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604870 904866638 /nfs/dbraw/zinc/86/66/38/904866638.db2.gz IDWRROXGHVXNBL-XWSJACJDSA-N 1 3 379.589 3.684 20 0 GHADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604870 904866648 /nfs/dbraw/zinc/86/66/48/904866648.db2.gz IDWRROXGHVXNBL-XWSJACJDSA-N 1 3 379.589 3.684 20 0 GHADHO CN1C(C)(C)CC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)CC1(C)C ZINC001171621521 904886488 /nfs/dbraw/zinc/88/64/88/904886488.db2.gz LVTCVVCJNMMPJG-DOTOQJQBSA-N 1 3 385.568 3.823 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC(n3cc(Br)cn3)CC2)CC1(C)C ZINC001171644496 904933056 /nfs/dbraw/zinc/93/30/56/904933056.db2.gz BLZDRYHHOPTQDN-UHFFFAOYSA-N 1 3 383.378 3.934 20 0 GHADHO CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171980207 905230704 /nfs/dbraw/zinc/23/07/04/905230704.db2.gz PRPGGULBOFQGBW-FCHUYYIVSA-N 1 3 383.580 3.810 20 0 GHADHO CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171980207 905230719 /nfs/dbraw/zinc/23/07/19/905230719.db2.gz PRPGGULBOFQGBW-FCHUYYIVSA-N 1 3 383.580 3.810 20 0 GHADHO O[C@@]1(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071931 905276491 /nfs/dbraw/zinc/27/64/91/905276491.db2.gz JMTDMKPJYTXTDF-WTEVXDJOSA-N 1 3 392.543 3.832 20 0 GHADHO O[C@@]1(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071931 905276510 /nfs/dbraw/zinc/27/65/10/905276510.db2.gz JMTDMKPJYTXTDF-WTEVXDJOSA-N 1 3 392.543 3.832 20 0 GHADHO COc1ccc(C[C@H](CO)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172072903 905277283 /nfs/dbraw/zinc/27/72/83/905277283.db2.gz NWKALNYFPKUVOQ-JLLPCOHGSA-N 1 3 394.559 3.774 20 0 GHADHO COc1ccc(C[C@H](CO)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172072903 905277291 /nfs/dbraw/zinc/27/72/91/905277291.db2.gz NWKALNYFPKUVOQ-JLLPCOHGSA-N 1 3 394.559 3.774 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110466 905355190 /nfs/dbraw/zinc/35/51/90/905355190.db2.gz NJVRAMSHCCUCRT-LRSLUSHPSA-N 1 3 399.579 3.953 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110466 905355202 /nfs/dbraw/zinc/35/52/02/905355202.db2.gz NJVRAMSHCCUCRT-LRSLUSHPSA-N 1 3 399.579 3.953 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CSc4ccccc4C3)cc2)CC1 ZINC001172187542 905388592 /nfs/dbraw/zinc/38/85/92/905388592.db2.gz MSZFMLFQBYEMLP-JOCHJYFZSA-N 1 3 381.589 3.631 20 0 GHADHO CC[C@H](C)OCC[C@@H](C)[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001172342426 905507179 /nfs/dbraw/zinc/50/71/79/905507179.db2.gz YXBLLHTXJSWKEQ-RTWAWAEBSA-N 1 3 389.584 3.590 20 0 GHADHO CC(C)COCC[C@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172469083 905550494 /nfs/dbraw/zinc/55/04/94/905550494.db2.gz ZNSUPTWOEKDEBB-NKKJXINNSA-N 1 3 392.628 3.898 20 0 GHADHO CC(C)COCC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172469083 905550501 /nfs/dbraw/zinc/55/05/01/905550501.db2.gz ZNSUPTWOEKDEBB-NKKJXINNSA-N 1 3 392.628 3.898 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)CC1 ZINC001172779142 905820330 /nfs/dbraw/zinc/82/03/30/905820330.db2.gz BFNQWPQWKISPSU-MOPGFXCFSA-N 1 3 381.520 3.787 20 0 GHADHO C[C@H](CSc1ccc(Cl)cc1)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172878743 905960695 /nfs/dbraw/zinc/96/06/95/905960695.db2.gz KBWZTYXZXXHSFE-CZUORRHYSA-N 1 3 387.977 4.000 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001173635813 906588947 /nfs/dbraw/zinc/58/89/47/906588947.db2.gz WWMZKPIRVHDNSA-SJLPKXTDSA-N 1 3 378.944 3.798 20 0 GHADHO CCCN(C)c1ccccc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000629593638 906886277 /nfs/dbraw/zinc/88/62/77/906886277.db2.gz SODSLZWOKRHJDJ-UHFFFAOYSA-N 1 3 386.584 3.668 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(SC(F)F)cc3)CC2)CC1 ZINC000195341910 908999237 /nfs/dbraw/zinc/99/92/37/908999237.db2.gz CQZMSCSQFOFEFT-UHFFFAOYSA-N 1 3 398.523 3.681 20 0 GHADHO Clc1n[nH]c(C2CC2)c1CNCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001178343592 909007678 /nfs/dbraw/zinc/00/76/78/909007678.db2.gz SDYVHWMHDZHPBP-UHFFFAOYSA-N 1 3 388.943 3.747 20 0 GHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000245667506 909816353 /nfs/dbraw/zinc/81/63/53/909816353.db2.gz BPZPNQIQGWZNSS-UAFMIMERSA-N 1 3 379.589 3.876 20 0 GHADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000269035358 910113560 /nfs/dbraw/zinc/11/35/60/910113560.db2.gz TZZCMIYCTKMIKH-HZPDHXFCSA-N 1 3 386.458 3.779 20 0 GHADHO CCCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CCN(Cc2ccccc2)CC1 ZINC001180680806 910301638 /nfs/dbraw/zinc/30/16/38/910301638.db2.gz BGVGFOPYRQIWHO-FYYLOGMGSA-N 1 3 383.580 3.907 20 0 GHADHO CCCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CCN(Cc2ccccc2)CC1 ZINC001180680806 910301656 /nfs/dbraw/zinc/30/16/56/910301656.db2.gz BGVGFOPYRQIWHO-FYYLOGMGSA-N 1 3 383.580 3.907 20 0 GHADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(OC)c(OC)c1 ZINC000271544195 910951593 /nfs/dbraw/zinc/95/15/93/910951593.db2.gz TVKDLJFYKBTXTR-SLFFLAALSA-N 1 3 376.541 3.512 20 0 GHADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(-c2cccs2)s1 ZINC001275619930 915359146 /nfs/dbraw/zinc/35/91/46/915359146.db2.gz MCJMWAXHKHKRHR-IAGOWNOFSA-N 1 3 389.590 3.604 20 0 GHADHO C[NH+]1CCC(c2ccc(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)cc2)CC1 ZINC001188331435 915892099 /nfs/dbraw/zinc/89/20/99/915892099.db2.gz YGMFTBKOTGXBGR-DEOSSOPVSA-N 1 3 391.559 3.890 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1OC ZINC000650722744 917250617 /nfs/dbraw/zinc/25/06/17/917250617.db2.gz ALKNTWQXWQIBQF-SFFNPBHPSA-N 1 3 376.541 3.733 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1CN1CCCCC1 ZINC000775387068 917329286 /nfs/dbraw/zinc/32/92/86/917329286.db2.gz VZHLTZDYDNXDOZ-WMZHIEFXSA-N 1 3 382.548 3.935 20 0 GHADHO CN1c2ccc(C[N@@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446058 917356084 /nfs/dbraw/zinc/35/60/84/917356084.db2.gz YWSLMSMPSJHOGP-RUZDIDTESA-N 1 3 389.543 3.694 20 0 GHADHO CN1c2ccc(C[N@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446058 917356101 /nfs/dbraw/zinc/35/61/01/917356101.db2.gz YWSLMSMPSJHOGP-RUZDIDTESA-N 1 3 389.543 3.694 20 0 GHADHO CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCc2ccccc2C1 ZINC001190510302 917374385 /nfs/dbraw/zinc/37/43/85/917374385.db2.gz LTNSUNZSZUOXCO-DNQXCXABSA-N 1 3 393.575 3.675 20 0 GHADHO CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCc2ccccc2C1 ZINC001190510302 917374394 /nfs/dbraw/zinc/37/43/94/917374394.db2.gz LTNSUNZSZUOXCO-DNQXCXABSA-N 1 3 393.575 3.675 20 0 GHADHO COc1ccc([C@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1C[NH+]1CCCCC1 ZINC000775412261 917571589 /nfs/dbraw/zinc/57/15/89/917571589.db2.gz LURGETJTHZRAMU-FXAWDEMLSA-N 1 3 387.568 3.731 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)ccc1OC ZINC000775415693 917595197 /nfs/dbraw/zinc/59/51/97/917595197.db2.gz UKRBKNJRQZKBHV-GHTZIAJQSA-N 1 3 390.568 3.916 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)ccc1OC ZINC000775415703 917595336 /nfs/dbraw/zinc/59/53/36/917595336.db2.gz UKRBKNJRQZKBHV-WIYYLYMNSA-N 1 3 390.568 3.916 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373599 919298827 /nfs/dbraw/zinc/29/88/27/919298827.db2.gz NCYGZQFNZMHVRL-FXAWDEMLSA-N 1 3 378.438 3.851 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373599 919298848 /nfs/dbraw/zinc/29/88/48/919298848.db2.gz NCYGZQFNZMHVRL-FXAWDEMLSA-N 1 3 378.438 3.851 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373602 919299926 /nfs/dbraw/zinc/29/99/26/919299926.db2.gz NCYGZQFNZMHVRL-XLIONFOSSA-N 1 3 378.438 3.851 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373602 919299952 /nfs/dbraw/zinc/29/99/52/919299952.db2.gz NCYGZQFNZMHVRL-XLIONFOSSA-N 1 3 378.438 3.851 20 0 GHADHO CC(C)n1ncc2cc(CN3CC[C@@H](C4CC[NH+](C)CC4)C3)c(Cl)nc21 ZINC000367692256 922269259 /nfs/dbraw/zinc/26/92/59/922269259.db2.gz YTMBDABEDLEGTE-MRXNPFEDSA-N 1 3 375.948 3.829 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000903760961 923265834 /nfs/dbraw/zinc/26/58/34/923265834.db2.gz LWGKKQPLHLELRE-REWPJTCUSA-N 1 3 399.510 3.615 20 0 GHADHO COc1cc(C[NH2+]C[C@@H]2CNCCC2(F)F)c(-c2ccccc2)cc1OC ZINC000903958427 923437554 /nfs/dbraw/zinc/43/75/54/923437554.db2.gz ZYASCTKBBACXCQ-KRWDZBQOSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@H](C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1cccc(Br)c1 ZINC000370704506 924266382 /nfs/dbraw/zinc/26/63/82/924266382.db2.gz ZPFCCQSKQCPGLQ-MBOZVWFJSA-N 1 3 394.401 3.510 20 0 GHADHO C[C@H](C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1cccc(Br)c1 ZINC000370704506 924266390 /nfs/dbraw/zinc/26/63/90/924266390.db2.gz ZPFCCQSKQCPGLQ-MBOZVWFJSA-N 1 3 394.401 3.510 20 0 GHADHO Cc1ccc(NC(=O)CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000370803528 924300131 /nfs/dbraw/zinc/30/01/31/924300131.db2.gz RABNVCNZLCNYOJ-SEJPIABJSA-N 1 3 378.520 3.504 20 0 GHADHO Cc1ccc(NC(=O)CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000370803528 924300138 /nfs/dbraw/zinc/30/01/38/924300138.db2.gz RABNVCNZLCNYOJ-SEJPIABJSA-N 1 3 378.520 3.504 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000410351820 925563080 /nfs/dbraw/zinc/56/30/80/925563080.db2.gz IAUHNGDSDWUZGM-HXUWFJFHSA-N 1 3 388.600 3.648 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000410351820 925563087 /nfs/dbraw/zinc/56/30/87/925563087.db2.gz IAUHNGDSDWUZGM-HXUWFJFHSA-N 1 3 388.600 3.648 20 0 GHADHO C[C@H](CCN1CC[C@H](Cc2ccncc2)C1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680890623 925645583 /nfs/dbraw/zinc/64/55/83/925645583.db2.gz JSKFQTMHDALBPC-AGILITTLSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CCN1CC[C@H](Cc2ccncc2)C1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680890623 925645590 /nfs/dbraw/zinc/64/55/90/925645590.db2.gz JSKFQTMHDALBPC-AGILITTLSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CC[N@@H+]1CC[C@H](Cc2ccncc2)C1)N1CC[C@H](Cc2ccncc2)C1 ZINC000680890623 925645592 /nfs/dbraw/zinc/64/55/92/925645592.db2.gz JSKFQTMHDALBPC-AGILITTLSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CC[N@H+]1CC[C@H](Cc2ccncc2)C1)N1CC[C@H](Cc2ccncc2)C1 ZINC000680890623 925645599 /nfs/dbraw/zinc/64/55/99/925645599.db2.gz JSKFQTMHDALBPC-AGILITTLSA-N 1 3 378.564 3.684 20 0 GHADHO O=C1[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CCCN1C1CCCCC1 ZINC000682373590 926091144 /nfs/dbraw/zinc/09/11/44/926091144.db2.gz DWTUALMOUIYUEW-QHCPKHFHSA-N 1 3 399.579 3.575 20 0 GHADHO O=C(CC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1)N1CCCC1 ZINC000411170755 926161241 /nfs/dbraw/zinc/16/12/41/926161241.db2.gz XXWAKYAQZJNMEK-UHFFFAOYSA-N 1 3 383.580 3.897 20 0 GHADHO CCCC[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000411466853 926415112 /nfs/dbraw/zinc/41/51/12/926415112.db2.gz TYUQAKQRUKVDBO-OAQYLSRUSA-N 1 3 375.557 3.505 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000726241359 926606856 /nfs/dbraw/zinc/60/68/56/926606856.db2.gz FLDQCDXHNTWUNR-WIYYLYMNSA-N 1 3 392.632 3.697 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CCCOc3cccc4ccccc43)CC2)CC1 ZINC000544489193 929227779 /nfs/dbraw/zinc/22/77/79/929227779.db2.gz JQBKCLJGWMHBIQ-UHFFFAOYSA-N 1 3 395.591 3.958 20 0 GHADHO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000753534859 929394149 /nfs/dbraw/zinc/39/41/49/929394149.db2.gz GDAUUELMIDRGMA-YLJYHZDGSA-N 1 3 399.539 3.843 20 0 GHADHO C[C@H]1C[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000757727346 929783628 /nfs/dbraw/zinc/78/36/28/929783628.db2.gz HBGIOOVEZHVOJT-XXDDBKGRSA-N 1 3 398.595 3.746 20 0 GHADHO CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470892460 931006391 /nfs/dbraw/zinc/00/63/91/931006391.db2.gz RZTUVMVQVCBTHB-NHCUHLMSSA-N 1 3 388.600 3.659 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000781885729 931011390 /nfs/dbraw/zinc/01/13/90/931011390.db2.gz UNNJZJHPZZTGQI-FQEVSTJZSA-N 1 3 379.589 3.974 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c(C)c1OC ZINC000557392552 931397577 /nfs/dbraw/zinc/39/75/77/931397577.db2.gz FUNLIPRWRIAGQG-LJQANCHMSA-N 1 3 397.563 3.610 20 0 GHADHO CN1CCC([N@@H+]2CC[C@H](N[C@@H](c3cccc(Cl)c3)c3ccccn3)C2)CC1 ZINC000925040958 931622219 /nfs/dbraw/zinc/62/22/19/931622219.db2.gz LRWHNFTVWVCTGY-UGKGYDQZSA-N 1 3 384.955 3.583 20 0 GHADHO CN1CCC([N@H+]2CC[C@H](N[C@@H](c3cccc(Cl)c3)c3ccccn3)C2)CC1 ZINC000925040958 931622222 /nfs/dbraw/zinc/62/22/22/931622222.db2.gz LRWHNFTVWVCTGY-UGKGYDQZSA-N 1 3 384.955 3.583 20 0 GHADHO c1c2ccccc2oc1[C@@H](NCCCCCN1CC[NH2+]CC1)c1cccnc1 ZINC000925843250 931920684 /nfs/dbraw/zinc/92/06/84/931920684.db2.gz DYMGLXHJORVZMH-QHCPKHFHSA-N 1 3 378.520 3.582 20 0 GHADHO CN(C)C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000558799081 932240556 /nfs/dbraw/zinc/24/05/56/932240556.db2.gz MJFTXSUBORQLNY-HXUWFJFHSA-N 1 3 388.943 3.869 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(C4CCC4)cc3)c2)C1 ZINC000560063052 933044452 /nfs/dbraw/zinc/04/44/52/933044452.db2.gz NBSOCWZCKZOMCS-XMMPIXPASA-N 1 3 391.559 3.941 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(C4CCC4)cc3)c2)C1 ZINC000560063052 933044458 /nfs/dbraw/zinc/04/44/58/933044458.db2.gz NBSOCWZCKZOMCS-XMMPIXPASA-N 1 3 391.559 3.941 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(C(F)(F)F)cn1 ZINC000560158963 933099218 /nfs/dbraw/zinc/09/92/18/933099218.db2.gz CVBCLYQRTWQJIQ-UHFFFAOYSA-N 1 3 398.517 3.729 20 0 GHADHO OC[C@H](CNC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1C(F)(F)F ZINC000560917995 933688508 /nfs/dbraw/zinc/68/85/08/933688508.db2.gz ITGYWYGDBPDGLA-INIZCTEOSA-N 1 3 384.486 3.853 20 0 GHADHO OC[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccccc1C(F)(F)F ZINC000560917995 933688515 /nfs/dbraw/zinc/68/85/15/933688515.db2.gz ITGYWYGDBPDGLA-INIZCTEOSA-N 1 3 384.486 3.853 20 0 GHADHO COC[C@]1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)OCCc2ccccc21 ZINC000562092167 934691299 /nfs/dbraw/zinc/69/12/99/934691299.db2.gz SAHWEQUCCZRUEZ-ZWSUVBHBSA-N 1 3 394.559 3.744 20 0 GHADHO COC[C@]1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)OCCc2ccccc21 ZINC000562092167 934691311 /nfs/dbraw/zinc/69/13/11/934691311.db2.gz SAHWEQUCCZRUEZ-ZWSUVBHBSA-N 1 3 394.559 3.744 20 0 GHADHO COC[C@]1(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)OCCc2ccccc21 ZINC000562092162 934691448 /nfs/dbraw/zinc/69/14/48/934691448.db2.gz SAHWEQUCCZRUEZ-OPHFCASCSA-N 1 3 394.559 3.744 20 0 GHADHO COC[C@]1(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)OCCc2ccccc21 ZINC000562092162 934691452 /nfs/dbraw/zinc/69/14/52/934691452.db2.gz SAHWEQUCCZRUEZ-OPHFCASCSA-N 1 3 394.559 3.744 20 0 GHADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H](N)CC3CCCCC3)cc2)CC1 ZINC000830125695 935902702 /nfs/dbraw/zinc/90/27/02/935902702.db2.gz RZUJIBVUNQWCSN-QFIPXVFZSA-N 1 3 386.584 3.701 20 0 GHADHO O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220694977 1032066911 /nfs/dbraw/zinc/06/69/11/1032066911.db2.gz PZBPJPRSIIVODM-RPWUZVMVSA-N 1 3 399.538 3.920 20 0 GHADHO O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220694977 1032066929 /nfs/dbraw/zinc/06/69/29/1032066929.db2.gz PZBPJPRSIIVODM-RPWUZVMVSA-N 1 3 399.538 3.920 20 0 GHADHO Cc1nc2ccc(Br)cc2c(N2CCC[N@@H+]([C@H](C)CO)CC2)c1C ZINC000468747247 1015988721 /nfs/dbraw/zinc/98/87/21/1015988721.db2.gz VAVINBWDDOGPHW-CYBMUJFWSA-N 1 3 392.341 3.507 20 0 GHADHO Cc1nc2ccc(Br)cc2c(N2CCC[N@H+]([C@H](C)CO)CC2)c1C ZINC000468747247 1015988727 /nfs/dbraw/zinc/98/87/27/1015988727.db2.gz VAVINBWDDOGPHW-CYBMUJFWSA-N 1 3 392.341 3.507 20 0 GHADHO CC(C)[NH+](CCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000470492094 1016797830 /nfs/dbraw/zinc/79/78/30/1016797830.db2.gz LMQAXNADVPEKGQ-JOCHJYFZSA-N 1 3 388.600 3.801 20 0 GHADHO O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001221036952 1032247516 /nfs/dbraw/zinc/24/75/16/1032247516.db2.gz MOVLBILWPCILHF-DNVJHFABSA-N 1 3 395.522 3.866 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC001221064757 1032262512 /nfs/dbraw/zinc/26/25/12/1032262512.db2.gz QJCAWEWHVJMRFG-WWPVKYPJSA-N 1 3 394.563 3.642 20 0 GHADHO C[C@@H](c1ccccc1)N1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204268963 1032710669 /nfs/dbraw/zinc/71/06/69/1032710669.db2.gz QQJUGZVFKMRORH-NRFANRHFSA-N 1 3 381.564 3.896 20 0 GHADHO Cc1cc(NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000568627661 1019430864 /nfs/dbraw/zinc/43/08/64/1019430864.db2.gz BKPVVVINXKQSIO-SFHVURJKSA-N 1 3 380.536 3.797 20 0 GHADHO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1cc(Cl)nc2c1CCNC2 ZINC001156018551 1032843431 /nfs/dbraw/zinc/84/34/31/1032843431.db2.gz HQDZLMDERAXVOO-UHFFFAOYSA-N 1 3 396.922 3.800 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000575333274 1019933397 /nfs/dbraw/zinc/93/33/97/1019933397.db2.gz FLJNCRZWPMXVBE-WMZHIEFXSA-N 1 3 377.532 3.848 20 0 GHADHO CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000577188667 1020143083 /nfs/dbraw/zinc/14/30/83/1020143083.db2.gz ILAJVQJDWGBSFL-HSZRJFAPSA-N 1 3 379.548 3.527 20 0 GHADHO CCOC(=O)N[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(C)C ZINC000779440938 1020792289 /nfs/dbraw/zinc/79/22/89/1020792289.db2.gz RXRQHDUDKDAHKP-YUMYIRISSA-N 1 3 387.568 3.932 20 0 GHADHO CCOC(=O)N[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000779440938 1020792294 /nfs/dbraw/zinc/79/22/94/1020792294.db2.gz RXRQHDUDKDAHKP-YUMYIRISSA-N 1 3 387.568 3.932 20 0 GHADHO CC(=O)N1CCC(C[NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC000638528674 1021045881 /nfs/dbraw/zinc/04/58/81/1021045881.db2.gz NQWWRHTWNXONJD-DEOSSOPVSA-N 1 3 385.596 3.773 20 0 GHADHO C[NH+](C)CCCC1CCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001204542498 1032961398 /nfs/dbraw/zinc/96/13/98/1032961398.db2.gz FYVMVSWBMICKSW-MRXNPFEDSA-N 1 3 377.520 3.589 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001626147454 1021281173 /nfs/dbraw/zinc/28/11/73/1021281173.db2.gz CLGZHMFXUDIYJB-JOCHJYFZSA-N 1 3 399.604 3.593 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001626147454 1021281181 /nfs/dbraw/zinc/28/11/81/1021281181.db2.gz CLGZHMFXUDIYJB-JOCHJYFZSA-N 1 3 399.604 3.593 20 0 GHADHO OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001204630733 1033002385 /nfs/dbraw/zinc/00/23/85/1033002385.db2.gz STVBBRDUNLQBNZ-UHFFFAOYSA-N 1 3 390.449 3.835 20 0 GHADHO CN1CCN(Cc2ccc(Nc3ccc(OCCC[NH+](C)C)cc3)cc2)CC1 ZINC001204746685 1033061231 /nfs/dbraw/zinc/06/12/31/1033061231.db2.gz AYCMMEDUSOOFIF-UHFFFAOYSA-N 1 3 382.552 3.508 20 0 GHADHO Cc1ccc(CCN2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1C ZINC001204817348 1033105079 /nfs/dbraw/zinc/10/50/79/1033105079.db2.gz UBPWWIMMURPZII-UHFFFAOYSA-N 1 3 381.564 3.609 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000831436800 1024562187 /nfs/dbraw/zinc/56/21/87/1024562187.db2.gz LYDUDYIBYQCOPR-IBGZPJMESA-N 1 3 392.975 3.548 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC001141366735 1024735911 /nfs/dbraw/zinc/73/59/11/1024735911.db2.gz ZOIXDDBPJSPIGG-RTWAWAEBSA-N 1 3 389.609 3.925 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC001141366735 1024735922 /nfs/dbraw/zinc/73/59/22/1024735922.db2.gz ZOIXDDBPJSPIGG-RTWAWAEBSA-N 1 3 389.609 3.925 20 0 GHADHO Cc1nccn1-c1ccc(CN2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001138545341 1024989436 /nfs/dbraw/zinc/98/94/36/1024989436.db2.gz VHKRTVKCGUOGBU-QHCPKHFHSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001138545341 1024989446 /nfs/dbraw/zinc/98/94/46/1024989446.db2.gz VHKRTVKCGUOGBU-QHCPKHFHSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)cc1 ZINC001138545341 1024989447 /nfs/dbraw/zinc/98/94/47/1024989447.db2.gz VHKRTVKCGUOGBU-QHCPKHFHSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)cc1 ZINC001138545341 1024989456 /nfs/dbraw/zinc/98/94/56/1024989456.db2.gz VHKRTVKCGUOGBU-QHCPKHFHSA-N 1 3 382.552 3.504 20 0 GHADHO CCOCc1ccccc1C[NH2+]Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001461019704 1069340882 /nfs/dbraw/zinc/34/08/82/1069340882.db2.gz SJEFUWCXJZBODA-UHFFFAOYSA-N 1 3 392.446 3.896 20 0 GHADHO C[C@@H](N)c1nc2ccccc2n1-c1ncc(C(F)(F)F)cc1C1=CC[NH2+]CC1 ZINC001162762541 1025909400 /nfs/dbraw/zinc/90/94/00/1025909400.db2.gz JHWSNMSDNQJARW-GFCCVEGCSA-N 1 3 387.409 3.836 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccc(F)cc3F)cc2)CC1 ZINC001461049191 1069360643 /nfs/dbraw/zinc/36/06/43/1069360643.db2.gz GZISAPAVLXPHEU-ARJAWSKDSA-N 1 3 385.502 3.905 20 0 GHADHO Cc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1Br ZINC001461068929 1069374542 /nfs/dbraw/zinc/37/45/42/1069374542.db2.gz OIAZOPQLPVPLDD-UHFFFAOYSA-N 1 3 377.326 3.988 20 0 GHADHO c1ncn(-c2ccc(C[N@H+]3CCC[C@]4(CCN(Cc5ccccc5)C4)C3)cc2)n1 ZINC001139333011 1026193092 /nfs/dbraw/zinc/19/30/92/1026193092.db2.gz JQTWXJNEFXKAAG-DEOSSOPVSA-N 1 3 387.531 3.755 20 0 GHADHO c1ncn(-c2ccc(C[N@@H+]3CCC[C@]4(CCN(Cc5ccccc5)C4)C3)cc2)n1 ZINC001139333011 1026193101 /nfs/dbraw/zinc/19/31/01/1026193101.db2.gz JQTWXJNEFXKAAG-DEOSSOPVSA-N 1 3 387.531 3.755 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171681 1069424594 /nfs/dbraw/zinc/42/45/94/1069424594.db2.gz OSBMRNCOFKWTFY-GJZGRUSLSA-N 1 3 381.483 3.542 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171681 1069424601 /nfs/dbraw/zinc/42/46/01/1069424601.db2.gz OSBMRNCOFKWTFY-GJZGRUSLSA-N 1 3 381.483 3.542 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171681 1069424605 /nfs/dbraw/zinc/42/46/05/1069424605.db2.gz OSBMRNCOFKWTFY-GJZGRUSLSA-N 1 3 381.483 3.542 20 0 GHADHO COc1cc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cc2c1OCO2 ZINC001209712346 1027110953 /nfs/dbraw/zinc/11/09/53/1027110953.db2.gz NJKSLOSAKLWCCC-OAQYLSRUSA-N 1 3 398.503 3.894 20 0 GHADHO COc1cc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc2c1OCO2 ZINC001209712346 1027110959 /nfs/dbraw/zinc/11/09/59/1027110959.db2.gz NJKSLOSAKLWCCC-OAQYLSRUSA-N 1 3 398.503 3.894 20 0 GHADHO COc1cccc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC001203818847 1027631584 /nfs/dbraw/zinc/63/15/84/1027631584.db2.gz LLNSGRNFXPAGOW-QFIPXVFZSA-N 1 3 380.532 3.951 20 0 GHADHO CC(=O)Oc1ccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950507 1027745073 /nfs/dbraw/zinc/74/50/73/1027745073.db2.gz AKNBYAGYMNBHBL-ZTCOLXNVSA-N 1 3 393.531 3.739 20 0 GHADHO CC(=O)Oc1ccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950507 1027745087 /nfs/dbraw/zinc/74/50/87/1027745087.db2.gz AKNBYAGYMNBHBL-ZTCOLXNVSA-N 1 3 393.531 3.739 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)c1ccco1 ZINC001211244966 1027855790 /nfs/dbraw/zinc/85/57/90/1027855790.db2.gz NJXLEZCQHWAIRY-SLFFLAALSA-N 1 3 392.588 3.765 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001461345402 1069511056 /nfs/dbraw/zinc/51/10/56/1069511056.db2.gz NASVVGGQBHQCRP-BJKOFHAPSA-N 1 3 380.532 3.733 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001142155811 1028261709 /nfs/dbraw/zinc/26/17/09/1028261709.db2.gz WCDFWZLCIGWRKU-UHFFFAOYSA-N 1 3 376.589 3.579 20 0 GHADHO Cc1cc2oc(=O)cc(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)c2cc1C(C)C ZINC000842479248 1029315554 /nfs/dbraw/zinc/31/55/54/1029315554.db2.gz RCIKBEXJCXFWGW-ZJSXRUAMSA-N 1 3 398.547 3.943 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1scc3c1OCCO3)CC2 ZINC001143185619 1029889031 /nfs/dbraw/zinc/88/90/31/1029889031.db2.gz LKSHKBDCJFGBQA-IBGZPJMESA-N 1 3 388.533 3.989 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1scc3c1OCCO3)CC2 ZINC001143185619 1029889039 /nfs/dbraw/zinc/88/90/39/1029889039.db2.gz LKSHKBDCJFGBQA-IBGZPJMESA-N 1 3 388.533 3.989 20 0 GHADHO Cc1cccc(CN2CCOCC3(CC[NH2+]CC3)C2)c1OCc1ccccc1 ZINC001222407352 1030111280 /nfs/dbraw/zinc/11/12/80/1030111280.db2.gz GLCVKKGMERKZCI-UHFFFAOYSA-N 1 3 380.532 3.776 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629467 1030250237 /nfs/dbraw/zinc/25/02/37/1030250237.db2.gz ILUDSMRKSWTQBV-HDICACEKSA-N 1 3 384.495 3.941 20 0 GHADHO COC(=O)C[C@H]([NH3+])c1cccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1 ZINC001218342534 1030903375 /nfs/dbraw/zinc/90/33/75/1030903375.db2.gz WTLLMNNVFWPPDX-JXKFMYIUSA-N 1 3 394.515 3.539 20 0 GHADHO CN1Cc2c(NC(=O)[C@H](C[NH3+])c3ccccc3)cccc2[C@H](c2ccccc2)C1 ZINC001219047011 1031228872 /nfs/dbraw/zinc/22/88/72/1031228872.db2.gz OBSBLUGNBLAUKN-YADHBBJMSA-N 1 3 385.511 3.945 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1 ZINC001220476042 1031957351 /nfs/dbraw/zinc/95/73/51/1031957351.db2.gz QBIGFPLLIMRAQY-VJBWXMMDSA-N 1 3 395.547 3.527 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC001220610461 1032012137 /nfs/dbraw/zinc/01/21/37/1032012137.db2.gz IUQVZTGKQGCKGF-YADHBBJMSA-N 1 3 388.600 3.653 20 0 GHADHO CC(C)[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[NH+]1CCC(C)CC1 ZINC001220614460 1032013642 /nfs/dbraw/zinc/01/36/42/1032013642.db2.gz JQDHABOTQPRYSL-FQEVSTJZSA-N 1 3 394.629 3.578 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC001220627210 1032027622 /nfs/dbraw/zinc/02/76/22/1032027622.db2.gz WEAZLDMVKQNGPR-UWVAXJGDSA-N 1 3 392.613 3.573 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC001220627210 1032027640 /nfs/dbraw/zinc/02/76/40/1032027640.db2.gz WEAZLDMVKQNGPR-UWVAXJGDSA-N 1 3 392.613 3.573 20 0 GHADHO c1ccc(CN2CCOC[C@H](Oc3cccc(C[NH+]4CCCCC4)c3)C2)cc1 ZINC001229449058 1033487022 /nfs/dbraw/zinc/48/70/22/1033487022.db2.gz VRTKSNICLZZLTM-XMMPIXPASA-N 1 3 380.532 3.952 20 0 GHADHO Cc1cc(C)c(/C=C/CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C)c1 ZINC001205710694 1033543110 /nfs/dbraw/zinc/54/31/10/1033543110.db2.gz KQLWFQGEIWNHGI-SOFGYWHQSA-N 1 3 397.607 3.939 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN1CCC[C@](C)(C[NH3+])CC1 ZINC001206317611 1033793382 /nfs/dbraw/zinc/79/33/82/1033793382.db2.gz ICJHJTDPSVLQFP-FQEVSTJZSA-N 1 3 377.916 3.949 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cncc(F)c1)CC2 ZINC001207021309 1034058385 /nfs/dbraw/zinc/05/83/85/1034058385.db2.gz WLGXZZUVSJGNOW-GOSISDBHSA-N 1 3 375.513 3.538 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cncc(F)c1)CC2 ZINC001207021309 1034058404 /nfs/dbraw/zinc/05/84/04/1034058404.db2.gz WLGXZZUVSJGNOW-GOSISDBHSA-N 1 3 375.513 3.538 20 0 GHADHO [NH3+]C1CCN(c2cccc(N[C@@H](CCO)c3cccc4ccccc43)n2)CC1 ZINC001158508189 1034115032 /nfs/dbraw/zinc/11/50/32/1034115032.db2.gz BVMUYMNDWHXCIN-NRFANRHFSA-N 1 3 376.504 3.698 20 0 GHADHO Cc1nc(-c2ccccc2)nc(Cl)c1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158588669 1034179661 /nfs/dbraw/zinc/17/96/61/1034179661.db2.gz BPKJCEUAUBEZMT-UHFFFAOYSA-N 1 3 399.970 3.758 20 0 GHADHO CCOC(=O)c1c(N=C2CCC([NH+]3CCCC3)CC2)sc2c1CCNC2 ZINC001159209256 1034485835 /nfs/dbraw/zinc/48/58/35/1034485835.db2.gz UUYGODSCCIWCRJ-HNNXBMFYSA-N 1 3 375.538 3.515 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001231264250 1034492409 /nfs/dbraw/zinc/49/24/09/1034492409.db2.gz VEZJBPBXAWHPOY-IFMALSPDSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001231264250 1034492414 /nfs/dbraw/zinc/49/24/14/1034492414.db2.gz VEZJBPBXAWHPOY-IFMALSPDSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H](C(=O)NCCCCC[NH+]1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC001159316212 1034541047 /nfs/dbraw/zinc/54/10/47/1034541047.db2.gz ZBYSIFWBJRBOIW-OAQYLSRUSA-N 1 3 385.596 3.712 20 0 GHADHO Cc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc2ccccc12 ZINC001159460176 1034605696 /nfs/dbraw/zinc/60/56/96/1034605696.db2.gz CTZHXALSYYPRQD-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO N[C@H](CCC[NH3+])NC(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001159787857 1034741252 /nfs/dbraw/zinc/74/12/52/1034741252.db2.gz CBMSLWQAZWCZGG-INIZCTEOSA-N 1 3 391.853 3.613 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc3cc[nH]c3cn1)CC2 ZINC001231666341 1034821798 /nfs/dbraw/zinc/82/17/98/1034821798.db2.gz UBRBOXMZTNVTML-LJQANCHMSA-N 1 3 396.560 3.880 20 0 GHADHO CN1CCC[C@H](C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)C1 ZINC001208615150 1034954990 /nfs/dbraw/zinc/95/49/90/1034954990.db2.gz QNISEWIKMZTUTF-QFIPXVFZSA-N 1 3 379.548 3.729 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)N2CCCC2)cc1 ZINC001160655834 1035026431 /nfs/dbraw/zinc/02/64/31/1035026431.db2.gz CXRUSSFCIXIEPA-VXNXHJTFSA-N 1 3 391.559 3.941 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)N2CCCC2)cc1 ZINC001160655834 1035026441 /nfs/dbraw/zinc/02/64/41/1035026441.db2.gz CXRUSSFCIXIEPA-VXNXHJTFSA-N 1 3 391.559 3.941 20 0 GHADHO O=C(C=C1CC[NH2+]CC1)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160683026 1035035926 /nfs/dbraw/zinc/03/59/26/1035035926.db2.gz JQUCUBDJGMRZJC-XMMPIXPASA-N 1 3 389.543 3.600 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)Cc1ccccc1Oc1ccccc1 ZINC001160750181 1035055799 /nfs/dbraw/zinc/05/57/99/1035055799.db2.gz CZITVANMTBDUCI-NRFANRHFSA-N 1 3 383.536 3.933 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001160956033 1035106044 /nfs/dbraw/zinc/10/60/44/1035106044.db2.gz FKKWXSFOZIDXAG-UQAQOTMJSA-N 1 3 391.559 3.706 20 0 GHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942628 1035112270 /nfs/dbraw/zinc/11/22/70/1035112270.db2.gz QPAHZJWQQSFBNK-SFTDATJTSA-N 1 3 387.568 3.840 20 0 GHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942628 1035112275 /nfs/dbraw/zinc/11/22/75/1035112275.db2.gz QPAHZJWQQSFBNK-SFTDATJTSA-N 1 3 387.568 3.840 20 0 GHADHO CC(C)N(CCNC(=O)OC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951258 1035122192 /nfs/dbraw/zinc/12/21/92/1035122192.db2.gz ATARSAIWQYASIT-HXUWFJFHSA-N 1 3 375.557 3.744 20 0 GHADHO CC(C)N(CCNC(=O)OC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951258 1035122196 /nfs/dbraw/zinc/12/21/96/1035122196.db2.gz ATARSAIWQYASIT-HXUWFJFHSA-N 1 3 375.557 3.744 20 0 GHADHO Fc1ccc(CN2CCC[N@H+](C[C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC001208951725 1035123932 /nfs/dbraw/zinc/12/39/32/1035123932.db2.gz FCHPDQJUTNHAQM-QHCPKHFHSA-N 1 3 381.539 3.856 20 0 GHADHO Fc1ccc(CN2CCC[N@@H+](C[C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC001208951725 1035123934 /nfs/dbraw/zinc/12/39/34/1035123934.db2.gz FCHPDQJUTNHAQM-QHCPKHFHSA-N 1 3 381.539 3.856 20 0 GHADHO COc1ccccc1[C@@H](O)CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208952139 1035124403 /nfs/dbraw/zinc/12/44/03/1035124403.db2.gz HKVQAVYESYYGEL-GGAORHGYSA-N 1 3 382.548 3.961 20 0 GHADHO COc1ccccc1[C@@H](O)CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208952139 1035124407 /nfs/dbraw/zinc/12/44/07/1035124407.db2.gz HKVQAVYESYYGEL-GGAORHGYSA-N 1 3 382.548 3.961 20 0 GHADHO COc1cc2c[nH+]c(NC3CCN(CC(=O)C(C)(C)C)CC3)cc2cc1OC ZINC001161123698 1035149229 /nfs/dbraw/zinc/14/92/29/1035149229.db2.gz BSTSHWVMTDGKDR-UHFFFAOYSA-N 1 3 385.508 3.744 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H](Nc3cc4c(nn3)CCNC4)[C@@H](c3ccccc3)C2)cc1 ZINC001161464038 1035236150 /nfs/dbraw/zinc/23/61/50/1035236150.db2.gz XNJKVTKIAWZLNE-ISKFKSNPSA-N 1 3 399.542 3.593 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H](Nc3cc4c(nn3)CCNC4)[C@@H](c3ccccc3)C2)cc1 ZINC001161464038 1035236156 /nfs/dbraw/zinc/23/61/56/1035236156.db2.gz XNJKVTKIAWZLNE-ISKFKSNPSA-N 1 3 399.542 3.593 20 0 GHADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1CN(CCC[NH+]3CCCCC3)C[C@H]21 ZINC001209451071 1035277314 /nfs/dbraw/zinc/27/73/14/1035277314.db2.gz ZKHUWTMQIOFKRN-QUCCMNQESA-N 1 3 382.527 3.674 20 0 GHADHO CC[C@@H](C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1)NC(=O)OC(C)(C)C ZINC001209467563 1035282721 /nfs/dbraw/zinc/28/27/21/1035282721.db2.gz ZSBHLWWKNQUMBJ-FQEVSTJZSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)[C@@]1(C[NH2+]CCCCCS(C)(=O)=O)CCN(Cc2ccccc2)C1 ZINC001462127519 1070018690 /nfs/dbraw/zinc/01/86/90/1070018690.db2.gz LIICZBTUJQSELF-JOCHJYFZSA-N 1 3 394.625 3.729 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H](CC1CCC1)c1ccc(F)cc1 ZINC001246007381 1037127264 /nfs/dbraw/zinc/12/72/64/1037127264.db2.gz KRTZZIAISFPEGJ-FDFHNCONSA-N 1 3 392.465 3.856 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC001246032220 1037149713 /nfs/dbraw/zinc/14/97/13/1037149713.db2.gz JLQLPIODMCMWOV-LEWJYISDSA-N 1 3 394.893 3.729 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC001246034724 1037151530 /nfs/dbraw/zinc/15/15/30/1037151530.db2.gz NOPRMTLWBOLDRK-LEWJYISDSA-N 1 3 394.893 3.729 20 0 GHADHO CSc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246053683 1037165032 /nfs/dbraw/zinc/16/50/32/1037165032.db2.gz UQHNREFLSKCRMV-XUVXKRRUSA-N 1 3 392.515 3.755 20 0 GHADHO CSc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246053683 1037165037 /nfs/dbraw/zinc/16/50/37/1037165037.db2.gz UQHNREFLSKCRMV-XUVXKRRUSA-N 1 3 392.515 3.755 20 0 GHADHO COc1ccc2cc(CC[C@@H](C)[NH2+]C[C@@]34CCCO[C@@H]3CCNC4)ccc2c1 ZINC001246144793 1037214778 /nfs/dbraw/zinc/21/47/78/1037214778.db2.gz LXBAKNXDUVMONV-QFWMQHCXSA-N 1 3 382.548 3.918 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc1 ZINC001246190709 1037229392 /nfs/dbraw/zinc/22/93/92/1037229392.db2.gz MFJSVPNIQRQSPO-UNMCSNQZSA-N 1 3 384.495 3.823 20 0 GHADHO CC[C@@H]1C[C@@H](NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)C[C@H](CC)[NH2+]1 ZINC001246281337 1037273120 /nfs/dbraw/zinc/27/31/20/1037273120.db2.gz OAQNTGLTHADDBO-ZRSRNVLSSA-N 1 3 398.588 3.527 20 0 GHADHO COc1ccc(CC[C@@H](C)[NH2+]C2(Cc3ccc(OC)cc3)CCNCC2)cc1 ZINC001246377253 1037335569 /nfs/dbraw/zinc/33/55/69/1037335569.db2.gz IMWDBPGAOWWJKT-LJQANCHMSA-N 1 3 382.548 3.979 20 0 GHADHO COc1ccc(C2(N[C@@H]3C[C@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246379400 1037337089 /nfs/dbraw/zinc/33/70/89/1037337089.db2.gz DJNLYATXVOSYOU-SIKLNZKXSA-N 1 3 379.548 3.527 20 0 GHADHO COC(=O)[C@H]1CCC[C@H](NC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246392047 1037351423 /nfs/dbraw/zinc/35/14/23/1037351423.db2.gz XODFLEDLPWMQSH-RDJZCZTQSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CCNCC2)C1 ZINC001246392047 1037351445 /nfs/dbraw/zinc/35/14/45/1037351445.db2.gz XODFLEDLPWMQSH-RDJZCZTQSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)N1CCC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)CC1 ZINC001246393089 1037353658 /nfs/dbraw/zinc/35/36/58/1037353658.db2.gz RAMFWEHHWFFUCL-IBGZPJMESA-N 1 3 393.959 3.605 20 0 GHADHO CCOC(=O)[C@H]1CC12CCC([NH2+]C1(Cc3ccc(F)cc3)CCNCC1)CC2 ZINC001246393633 1037353893 /nfs/dbraw/zinc/35/38/93/1037353893.db2.gz WYAOMAZPBPVFQB-SNCIUUNGSA-N 1 3 388.527 3.592 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN[C@H](Cc3ccccc3)C1)CCC2 ZINC001246408779 1037365727 /nfs/dbraw/zinc/36/57/27/1037365727.db2.gz DMSHGNMDDCOZNY-QZNHQXDQSA-N 1 3 378.516 3.804 20 0 GHADHO CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CCN1 ZINC001246417241 1037373808 /nfs/dbraw/zinc/37/38/08/1037373808.db2.gz TUSIQFUEZAZMQR-OALUTQOASA-N 1 3 395.385 3.909 20 0 GHADHO COc1ccccc1CC1([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CCNCC1 ZINC001246427797 1037387339 /nfs/dbraw/zinc/38/73/39/1037387339.db2.gz WDPFFNVLGYDFGW-IBGZPJMESA-N 1 3 386.486 3.785 20 0 GHADHO O=C1CCCCN1c1ccc(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246435234 1037397632 /nfs/dbraw/zinc/39/76/32/1037397632.db2.gz PABFSRLMFMAIOQ-FCHUYYIVSA-N 1 3 377.532 3.656 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246435184 1037398216 /nfs/dbraw/zinc/39/82/16/1037398216.db2.gz GHLZSLFADHAGPT-QFBILLFUSA-N 1 3 378.944 3.716 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CCN1 ZINC001246442821 1037405451 /nfs/dbraw/zinc/40/54/51/1037405451.db2.gz UUGBGAMNGLQOKW-NVXWUHKLSA-N 1 3 381.358 3.519 20 0 GHADHO C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246533428 1037467312 /nfs/dbraw/zinc/46/73/12/1037467312.db2.gz CRCRYUCBAGSEJC-OALUTQOASA-N 1 3 377.454 3.938 20 0 GHADHO C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246533428 1037467341 /nfs/dbraw/zinc/46/73/41/1037467341.db2.gz CRCRYUCBAGSEJC-OALUTQOASA-N 1 3 377.454 3.938 20 0 GHADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)N1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246635540 1037520963 /nfs/dbraw/zinc/52/09/63/1037520963.db2.gz CKIUZDDRKVWJAY-BBRMVZONSA-N 1 3 378.385 3.837 20 0 GHADHO C[NH2+]CC[C@@H](C)N1CCC(c2cc3c(ncn3C)c(-c3ccccc3)n2)CC1 ZINC001246696718 1037552422 /nfs/dbraw/zinc/55/24/22/1037552422.db2.gz QYNGNZNSNOZORK-QGZVFWFLSA-N 1 3 377.536 3.813 20 0 GHADHO CC[C@@H]1C[C@@H](N2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246707535 1037561875 /nfs/dbraw/zinc/56/18/75/1037561875.db2.gz BHLYSBJAWULHOE-RRPPUSTOSA-N 1 3 387.568 3.641 20 0 GHADHO CC[C@@H]1CC(N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C[C@@H](CC)[NH2+]1 ZINC001246745115 1037585373 /nfs/dbraw/zinc/58/53/73/1037585373.db2.gz MERDKSDSMOXJSC-KZFRKFNSSA-N 1 3 391.531 3.532 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246761369 1037605312 /nfs/dbraw/zinc/60/53/12/1037605312.db2.gz BBPZNLMQQFXPIQ-MPHOGZCYSA-N 1 3 391.506 3.560 20 0 GHADHO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246827020 1037660343 /nfs/dbraw/zinc/66/03/43/1037660343.db2.gz YJCRBTLILGMEOG-NRFANRHFSA-N 1 3 383.580 3.640 20 0 GHADHO c1ccc(C(OCCN2CCCN([C@H]3CCC[NH2+]C3)CC2)c2ccccc2)cc1 ZINC001246831418 1037662628 /nfs/dbraw/zinc/66/26/28/1037662628.db2.gz DLCSVRKMDJFOID-DEOSSOPVSA-N 1 3 393.575 3.552 20 0 GHADHO COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246851018 1037677094 /nfs/dbraw/zinc/67/70/94/1037677094.db2.gz AGWVQGNLUCNEBH-MQSCRBSSSA-N 1 3 382.548 3.802 20 0 GHADHO COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246851018 1037677105 /nfs/dbraw/zinc/67/71/05/1037677105.db2.gz AGWVQGNLUCNEBH-MQSCRBSSSA-N 1 3 382.548 3.802 20 0 GHADHO COC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[N@@H+]1[C@@H]1CCOC2(CNC2)C1 ZINC001246863934 1037682899 /nfs/dbraw/zinc/68/28/99/1037682899.db2.gz MILCSDSTGQJTLL-PKTZIBPZSA-N 1 3 392.543 3.562 20 0 GHADHO COC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[N@H+]1[C@@H]1CCOC2(CNC2)C1 ZINC001246863934 1037682910 /nfs/dbraw/zinc/68/29/10/1037682910.db2.gz MILCSDSTGQJTLL-PKTZIBPZSA-N 1 3 392.543 3.562 20 0 GHADHO Nc1ccc(Br)c2c1CN(C1CCC3(CC[NH2+]CC3)CC1)CC2 ZINC001246870777 1037685808 /nfs/dbraw/zinc/68/58/08/1037685808.db2.gz ZTZSQLMGZYMMAO-UHFFFAOYSA-N 1 3 378.358 3.702 20 0 GHADHO COC(=O)C[C@H](C)N(Cc1ccccc1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246893260 1037707961 /nfs/dbraw/zinc/70/79/61/1037707961.db2.gz VIVXFFONSWMKOM-PMOQBDJRSA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246893260 1037707976 /nfs/dbraw/zinc/70/79/76/1037707976.db2.gz VIVXFFONSWMKOM-PMOQBDJRSA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246893260 1037707995 /nfs/dbraw/zinc/70/79/95/1037707995.db2.gz VIVXFFONSWMKOM-PMOQBDJRSA-N 1 3 380.532 3.804 20 0 GHADHO COc1cc(C[C@@H](C)[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc(OC)c1OC ZINC001246937820 1037743135 /nfs/dbraw/zinc/74/31/35/1037743135.db2.gz MVXWKFWDOAXAMK-MSOLQXFVSA-N 1 3 390.568 3.888 20 0 GHADHO COc1cc(C[C@@H](C)[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc(OC)c1OC ZINC001246937820 1037743150 /nfs/dbraw/zinc/74/31/50/1037743150.db2.gz MVXWKFWDOAXAMK-MSOLQXFVSA-N 1 3 390.568 3.888 20 0 GHADHO CCCCOC(=O)CC[C@H](C)[N@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001246969653 1037793630 /nfs/dbraw/zinc/79/36/30/1037793630.db2.gz ZTKBQGPMAVQOPV-SFHVURJKSA-N 1 3 376.541 3.761 20 0 GHADHO CCCCOC(=O)CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001246969653 1037793647 /nfs/dbraw/zinc/79/36/47/1037793647.db2.gz ZTKBQGPMAVQOPV-SFHVURJKSA-N 1 3 376.541 3.761 20 0 GHADHO CC[C@H]1CC(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246999494 1037823247 /nfs/dbraw/zinc/82/32/47/1037823247.db2.gz JMDOPJZCKCXTGV-PMACEKPBSA-N 1 3 391.987 3.977 20 0 GHADHO N[C@H](c1nc2cc(N3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1)c1ccccc1 ZINC001247011883 1037834734 /nfs/dbraw/zinc/83/47/34/1037834734.db2.gz XBIKMDIVHYOJSV-DEOSSOPVSA-N 1 3 397.526 3.933 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[N@@H+]2Cc3ccccc3C23CCNCC3)cc1 ZINC001247010542 1037835736 /nfs/dbraw/zinc/83/57/36/1037835736.db2.gz PXENRKMRCQQUHH-GOSISDBHSA-N 1 3 378.516 3.889 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3C23CCNCC3)cc1 ZINC001247010542 1037835769 /nfs/dbraw/zinc/83/57/69/1037835769.db2.gz PXENRKMRCQQUHH-GOSISDBHSA-N 1 3 378.516 3.889 20 0 GHADHO CN1CC2(C1)CC[NH+](Cc1ccc3c(c1)CCCN3C(=O)OC(C)(C)C)CC2 ZINC001232435378 1038215256 /nfs/dbraw/zinc/21/52/56/1038215256.db2.gz WCOMEMWZCJZXOW-UHFFFAOYSA-N 1 3 385.552 3.902 20 0 GHADHO CCN(CC)C[C@H](O)C[NH+]1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 ZINC001253185418 1039466542 /nfs/dbraw/zinc/46/65/42/1039466542.db2.gz QYOIADARRWWTLI-QHCPKHFHSA-N 1 3 393.575 3.731 20 0 GHADHO COc1ccc(C2([NH2+]CC3(O)CCN(Cc4ccccc4)CC3)CCC2)cc1 ZINC001254053376 1039977368 /nfs/dbraw/zinc/97/73/68/1039977368.db2.gz NPOIAZNASNHFQN-UHFFFAOYSA-N 1 3 380.532 3.691 20 0 GHADHO Cc1ccc2cccc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)c2n1 ZINC001254054399 1039977838 /nfs/dbraw/zinc/97/78/38/1039977838.db2.gz RBWIHSSOUCCLPY-UHFFFAOYSA-N 1 3 375.516 3.660 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254754827 1040515684 /nfs/dbraw/zinc/51/56/84/1040515684.db2.gz NWIDBMZIBVFMDM-ZCNNSNEGSA-N 1 3 391.600 3.830 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254754827 1040515702 /nfs/dbraw/zinc/51/57/02/1040515702.db2.gz NWIDBMZIBVFMDM-ZCNNSNEGSA-N 1 3 391.600 3.830 20 0 GHADHO FC(F)(F)c1ccc(-c2ccc(CN3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cn2)cc1 ZINC001235038133 1040531895 /nfs/dbraw/zinc/53/18/95/1040531895.db2.gz UDZZQFJMWRPSKM-YLJYHZDGSA-N 1 3 391.437 3.578 20 0 GHADHO FC(F)(F)Oc1cc(Br)ccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC001235103503 1040590663 /nfs/dbraw/zinc/59/06/63/1040590663.db2.gz GCSKXZSPYDXXFV-UHFFFAOYSA-N 1 3 393.247 3.923 20 0 GHADHO COC(=O)c1ccc(Br)c(CN2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235158055 1040651296 /nfs/dbraw/zinc/65/12/96/1040651296.db2.gz TZYGZKDBXDBUSN-SFHVURJKSA-N 1 3 395.341 3.590 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972630 1040700717 /nfs/dbraw/zinc/70/07/17/1040700717.db2.gz VHPHWYUQQSQNBU-VMXMFDLUSA-N 1 3 387.568 3.871 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972630 1040700733 /nfs/dbraw/zinc/70/07/33/1040700733.db2.gz VHPHWYUQQSQNBU-VMXMFDLUSA-N 1 3 387.568 3.871 20 0 GHADHO C[C@@H](C[NH3+])CN(Cc1ccccc1)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972630 1040700749 /nfs/dbraw/zinc/70/07/49/1040700749.db2.gz VHPHWYUQQSQNBU-VMXMFDLUSA-N 1 3 387.568 3.871 20 0 GHADHO c1ccc(C2(C[N@@H+]3CC[C@@]4(c5ccccc5)CCNC[C@@H]4C3)CCOCC2)cc1 ZINC001235364085 1040851843 /nfs/dbraw/zinc/85/18/43/1040851843.db2.gz KUTKANWNSLRLPS-AOYPEHQESA-N 1 3 390.571 3.988 20 0 GHADHO c1ccc(C2(C[N@H+]3CC[C@@]4(c5ccccc5)CCNC[C@@H]4C3)CCOCC2)cc1 ZINC001235364085 1040851863 /nfs/dbraw/zinc/85/18/63/1040851863.db2.gz KUTKANWNSLRLPS-AOYPEHQESA-N 1 3 390.571 3.988 20 0 GHADHO Clc1cc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)ccc1OCc1ccccc1 ZINC001235367410 1040861808 /nfs/dbraw/zinc/86/18/08/1040861808.db2.gz INJDKUJACPZWJL-MIZPHKNDSA-N 1 3 398.934 3.872 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235366813 1040863251 /nfs/dbraw/zinc/86/32/51/1040863251.db2.gz RTXUWQNDLQTCJA-NZQKXSOJSA-N 1 3 387.568 3.545 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235366813 1040863253 /nfs/dbraw/zinc/86/32/53/1040863253.db2.gz RTXUWQNDLQTCJA-NZQKXSOJSA-N 1 3 387.568 3.545 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235366813 1040863278 /nfs/dbraw/zinc/86/32/78/1040863278.db2.gz RTXUWQNDLQTCJA-NZQKXSOJSA-N 1 3 387.568 3.545 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001255231304 1040918975 /nfs/dbraw/zinc/91/89/75/1040918975.db2.gz LCDGIKXIZMYDDJ-WKCHPHFGSA-N 1 3 399.579 3.953 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001255349563 1040955930 /nfs/dbraw/zinc/95/59/30/1040955930.db2.gz NMIIKCDWKGZQQU-ICSRJNTNSA-N 1 3 376.516 3.749 20 0 GHADHO COc1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)ccc1OC1COC1 ZINC001255386178 1040974414 /nfs/dbraw/zinc/97/44/14/1040974414.db2.gz KWUNDJJJSDADFI-NRFANRHFSA-N 1 3 396.531 3.617 20 0 GHADHO COC(=O)C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391675 1040980908 /nfs/dbraw/zinc/98/09/08/1040980908.db2.gz BFVCYFLWTYFOKF-GMAHTHKFSA-N 1 3 396.531 3.944 20 0 GHADHO O=C1NCCCN1c1cccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)c1 ZINC001255393688 1040981538 /nfs/dbraw/zinc/98/15/38/1040981538.db2.gz UBSNPSNNIOAXQB-QFIPXVFZSA-N 1 3 392.547 3.751 20 0 GHADHO COC1CCC([NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)CC1 ZINC001255458348 1041062140 /nfs/dbraw/zinc/06/21/40/1041062140.db2.gz AWGNDEPCRKNBOW-XBMUEBEBSA-N 1 3 378.582 3.761 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001235688065 1041157312 /nfs/dbraw/zinc/15/73/12/1041157312.db2.gz MHVZPVMJIXQNKK-SFHVURJKSA-N 1 3 375.513 3.711 20 0 GHADHO [NH3+]CCNC(=O)c1cccc(CN2CCC(c3ccc4ccccc4c3)CC2)c1 ZINC001235714867 1041199035 /nfs/dbraw/zinc/19/90/35/1041199035.db2.gz LYPUNSCMGXGHSW-UHFFFAOYSA-N 1 3 387.527 3.908 20 0 GHADHO Brc1ccc(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]4)(C2)CCC3)[nH]1 ZINC001278897489 1041423777 /nfs/dbraw/zinc/42/37/77/1041423777.db2.gz AZEFAEKNFATCJS-MSOLQXFVSA-N 1 3 377.330 3.830 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]C1(CCOC)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255951751 1041432576 /nfs/dbraw/zinc/43/25/76/1041432576.db2.gz ALXMHJGVERXMAO-GOSISDBHSA-N 1 3 385.593 3.503 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCN(Cc2ccc(Br)cc2)C1 ZINC001255953891 1041433686 /nfs/dbraw/zinc/43/36/86/1041433686.db2.gz QJYSPOQATXABKY-LPHOPBHVSA-N 1 3 382.390 3.733 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001255964044 1041444155 /nfs/dbraw/zinc/44/41/55/1041444155.db2.gz WCHDJMPKZOUVMF-BGRXAOQBSA-N 1 3 375.532 3.843 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001255964044 1041444166 /nfs/dbraw/zinc/44/41/66/1041444166.db2.gz WCHDJMPKZOUVMF-BGRXAOQBSA-N 1 3 375.532 3.843 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001255964044 1041444179 /nfs/dbraw/zinc/44/41/79/1041444179.db2.gz WCHDJMPKZOUVMF-BGRXAOQBSA-N 1 3 375.532 3.843 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001255964045 1041444705 /nfs/dbraw/zinc/44/47/05/1041444705.db2.gz WCHDJMPKZOUVMF-NANJZHHASA-N 1 3 375.532 3.843 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001255964045 1041444719 /nfs/dbraw/zinc/44/47/19/1041444719.db2.gz WCHDJMPKZOUVMF-NANJZHHASA-N 1 3 375.532 3.843 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001255964045 1041444733 /nfs/dbraw/zinc/44/47/33/1041444733.db2.gz WCHDJMPKZOUVMF-NANJZHHASA-N 1 3 375.532 3.843 20 0 GHADHO c1cnc(Oc2ccc(CN3Cc4ccccc4C4(CC[NH2+]CC4)C3)cc2)nc1 ZINC001235973758 1041477954 /nfs/dbraw/zinc/47/79/54/1041477954.db2.gz OYIOMCHHMROXEY-UHFFFAOYSA-N 1 3 386.499 3.906 20 0 GHADHO C[NH+]1CCC(COc2cnc(-c3cccc(CN4CCCCC4)c3F)nc2)CC1 ZINC001236007322 1041498859 /nfs/dbraw/zinc/49/88/59/1041498859.db2.gz ZWBWZDWMDRDXSZ-UHFFFAOYSA-N 1 3 398.526 3.989 20 0 GHADHO COC(=O)c1ccc(COc2ccccc2CN2CC3(C2)CCC[NH2+]CC3)cc1 ZINC001236008792 1041500110 /nfs/dbraw/zinc/50/01/10/1041500110.db2.gz GPHNJWTZDXVRDJ-UHFFFAOYSA-N 1 3 394.515 3.628 20 0 GHADHO Fc1cc(-c2ccc3c([C@H]4CCC[NH2+]4)nnn3c2)ccc1CN1CCCCC1 ZINC001236247999 1041642239 /nfs/dbraw/zinc/64/22/39/1041642239.db2.gz BOQJVYFTVBBXOG-HXUWFJFHSA-N 1 3 379.483 3.946 20 0 GHADHO Fc1cc(-c2ccc3nc(C4CC[NH2+]CC4)nn3c2)ccc1CN1CCCCC1 ZINC001236248458 1041642573 /nfs/dbraw/zinc/64/25/73/1041642573.db2.gz HICOOBGZIZAEAW-UHFFFAOYSA-N 1 3 393.510 3.988 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CC1 ZINC001256296202 1041690003 /nfs/dbraw/zinc/69/00/03/1041690003.db2.gz ZLUWYBYDFWPOBR-UHFFFAOYSA-N 1 3 399.579 3.984 20 0 GHADHO [NH3+][C@H]1CCN(C2CCN(Cc3ccc(Br)c4ccccc34)CC2)C1 ZINC001236616853 1041783920 /nfs/dbraw/zinc/78/39/20/1041783920.db2.gz QJGJMXOXDAVAGB-INIZCTEOSA-N 1 3 388.353 3.600 20 0 GHADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001462597261 1070402135 /nfs/dbraw/zinc/40/21/35/1070402135.db2.gz YYFGFNJHIZKVDQ-HOJAQTOUSA-N 1 3 390.572 3.700 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccn3nccc3c1)CC2 ZINC001237539864 1042256861 /nfs/dbraw/zinc/25/68/61/1042256861.db2.gz WUVMPTNWYGBVCI-QHCPKHFHSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccn3nccc3c1)CC2 ZINC001237539864 1042256863 /nfs/dbraw/zinc/25/68/63/1042256863.db2.gz WUVMPTNWYGBVCI-QHCPKHFHSA-N 1 3 390.531 3.590 20 0 GHADHO Cc1cc(C[NH+]2CCC(N3CCN(C)CC3)CC2)ccc1Oc1ccccc1 ZINC001238520997 1042628130 /nfs/dbraw/zinc/62/81/30/1042628130.db2.gz OORKACDKVRMBKO-UHFFFAOYSA-N 1 3 379.548 3.999 20 0 GHADHO Cc1ccc(I)c(CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001238814887 1042737666 /nfs/dbraw/zinc/73/76/66/1042737666.db2.gz UOTUWHSHLUXWKL-UHFFFAOYSA-N 1 3 384.305 3.517 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[NH+](C(C)C)C(C)C ZINC001291472286 1043286813 /nfs/dbraw/zinc/28/68/13/1043286813.db2.gz OGRKIGFELXMDLL-UFYCRDLUSA-N 1 3 392.636 3.829 20 0 GHADHO Cc1cccc(N2CCCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552416 1043516211 /nfs/dbraw/zinc/51/62/11/1043516211.db2.gz CBSZKVOVAZGUCP-FYYLOGMGSA-N 1 3 378.564 3.955 20 0 GHADHO Cc1cccc(N2CCCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552416 1043516212 /nfs/dbraw/zinc/51/62/12/1043516212.db2.gz CBSZKVOVAZGUCP-FYYLOGMGSA-N 1 3 378.564 3.955 20 0 GHADHO C[C@@H]1C[C@H]([N@@H+]2CCN3CCc4ccccc4[C@H]3C2)CCN1Cc1ccccc1 ZINC001256560669 1043534700 /nfs/dbraw/zinc/53/47/00/1043534700.db2.gz SBYBTJHSUJXKRB-QFZRFWILSA-N 1 3 375.560 3.955 20 0 GHADHO C[C@@H]1C[C@H]([N@H+]2CCN3CCc4ccccc4[C@H]3C2)CCN1Cc1ccccc1 ZINC001256560669 1043534704 /nfs/dbraw/zinc/53/47/04/1043534704.db2.gz SBYBTJHSUJXKRB-QFZRFWILSA-N 1 3 375.560 3.955 20 0 GHADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256563349 1043538455 /nfs/dbraw/zinc/53/84/55/1043538455.db2.gz ARAXXSGQUBOSJF-YKSBVNFPSA-N 1 3 385.596 3.665 20 0 GHADHO Cc1c[nH+]ccc1N1CCN(C2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001256676670 1043617023 /nfs/dbraw/zinc/61/70/23/1043617023.db2.gz UDCTVOSMIVKFGY-UHFFFAOYSA-N 1 3 388.556 3.690 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC001256788876 1043652663 /nfs/dbraw/zinc/65/26/63/1043652663.db2.gz BTPKNOMYYZNWOW-JWQCQUIFSA-N 1 3 393.575 3.834 20 0 GHADHO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H]4CCC[N@@H+](C5CCCC5)C4)CCN3C2)cc1 ZINC001256918537 1043745944 /nfs/dbraw/zinc/74/59/44/1043745944.db2.gz PSPKGLFCLOPRBT-WMTXJRDZSA-N 1 3 383.580 3.539 20 0 GHADHO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H]4CCC[N@H+](C5CCCC5)C4)CCN3C2)cc1 ZINC001256918537 1043745956 /nfs/dbraw/zinc/74/59/56/1043745956.db2.gz PSPKGLFCLOPRBT-WMTXJRDZSA-N 1 3 383.580 3.539 20 0 GHADHO Cc1ccc(O[C@@H]2C[C@H]3CN([C@@H]4CCC[N@@H+](C5CCCC5)C4)CCN3C2)cc1 ZINC001256918533 1043746376 /nfs/dbraw/zinc/74/63/76/1043746376.db2.gz PSPKGLFCLOPRBT-AOHZBQACSA-N 1 3 383.580 3.539 20 0 GHADHO Cc1ccc(O[C@@H]2C[C@H]3CN([C@@H]4CCC[N@H+](C5CCCC5)C4)CCN3C2)cc1 ZINC001256918533 1043746387 /nfs/dbraw/zinc/74/63/87/1043746387.db2.gz PSPKGLFCLOPRBT-AOHZBQACSA-N 1 3 383.580 3.539 20 0 GHADHO CC(C)CN1CCC([N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014225 1044341005 /nfs/dbraw/zinc/34/10/05/1044341005.db2.gz GEFXCGHOPPZAMX-NKKJXINNSA-N 1 3 384.612 3.734 20 0 GHADHO CC(C)CN1CCC([N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014225 1044341009 /nfs/dbraw/zinc/34/10/09/1044341009.db2.gz GEFXCGHOPPZAMX-NKKJXINNSA-N 1 3 384.612 3.734 20 0 GHADHO c1csc(CN2C[C@@H]3C[N@H+](C4CCN(CCc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001258141827 1044427463 /nfs/dbraw/zinc/42/74/63/1044427463.db2.gz DJMJTODJMUYDPB-SZPZYZBQSA-N 1 3 395.616 3.819 20 0 GHADHO c1csc(CN2C[C@@H]3C[N@@H+](C4CCN(CCc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001258141827 1044427467 /nfs/dbraw/zinc/42/74/67/1044427467.db2.gz DJMJTODJMUYDPB-SZPZYZBQSA-N 1 3 395.616 3.819 20 0 GHADHO C[C@H](CC1CC1)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258462952 1044572324 /nfs/dbraw/zinc/57/23/24/1044572324.db2.gz UFNJCJQHGZYACF-VEXUSMLFSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H](CC1CC1)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258462952 1044572339 /nfs/dbraw/zinc/57/23/39/1044572339.db2.gz UFNJCJQHGZYACF-VEXUSMLFSA-N 1 3 383.580 3.821 20 0 GHADHO CC1(C)COC2(CCC(N3CCC([NH3+])(Cc4ccccc4F)CC3)CC2)OC1 ZINC001258521948 1044599485 /nfs/dbraw/zinc/59/94/85/1044599485.db2.gz MRWSIBLVBAYAHC-UHFFFAOYSA-N 1 3 390.543 3.873 20 0 GHADHO COc1cc(C[C@@H](C)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(OC)c1OC ZINC001258862176 1044802267 /nfs/dbraw/zinc/80/22/67/1044802267.db2.gz PWLCPZWMWLXOIQ-SJLPKXTDSA-N 1 3 376.541 3.640 20 0 GHADHO COc1cc(C[C@@H](C)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc(OC)c1OC ZINC001258862176 1044802271 /nfs/dbraw/zinc/80/22/71/1044802271.db2.gz PWLCPZWMWLXOIQ-SJLPKXTDSA-N 1 3 376.541 3.640 20 0 GHADHO CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001296065640 1045240400 /nfs/dbraw/zinc/24/04/00/1045240400.db2.gz MUMLCESWRGMAGQ-GMAHTHKFSA-N 1 3 383.580 3.764 20 0 GHADHO CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001296065640 1045240408 /nfs/dbraw/zinc/24/04/08/1045240408.db2.gz MUMLCESWRGMAGQ-GMAHTHKFSA-N 1 3 383.580 3.764 20 0 GHADHO CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001303171114 1047301597 /nfs/dbraw/zinc/30/15/97/1047301597.db2.gz JQINBVGODKKQJO-DEOSSOPVSA-N 1 3 393.575 3.917 20 0 GHADHO Brc1cccnc1CN1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279551231 1047838814 /nfs/dbraw/zinc/83/88/14/1047838814.db2.gz JWDHLGAZFWYHJQ-IYBDPMFKSA-N 1 3 389.341 3.516 20 0 GHADHO Brc1cccnc1CN1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279551231 1047838816 /nfs/dbraw/zinc/83/88/16/1047838816.db2.gz JWDHLGAZFWYHJQ-IYBDPMFKSA-N 1 3 389.341 3.516 20 0 GHADHO Cc1ccc(Br)c(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001279663691 1047904214 /nfs/dbraw/zinc/90/42/14/1047904214.db2.gz BCSOIZMCSKPOCU-UHFFFAOYSA-N 1 3 394.401 3.607 20 0 GHADHO Cc1ccc(Br)c(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001279663691 1047904215 /nfs/dbraw/zinc/90/42/15/1047904215.db2.gz BCSOIZMCSKPOCU-UHFFFAOYSA-N 1 3 394.401 3.607 20 0 GHADHO CC(C)c1ccc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(Br)c1 ZINC001280098614 1048079031 /nfs/dbraw/zinc/07/90/31/1048079031.db2.gz FUBWJLDCFJODLD-PMACEKPBSA-N 1 3 394.401 3.783 20 0 GHADHO CC(C)c1cc(Br)cc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001280318889 1048181340 /nfs/dbraw/zinc/18/13/40/1048181340.db2.gz QSVBYFYOHGQVTF-PMACEKPBSA-N 1 3 394.401 3.783 20 0 GHADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308089781 1049837369 /nfs/dbraw/zinc/83/73/69/1049837369.db2.gz OFHLXAZWOFZOMS-GOSISDBHSA-N 1 3 388.556 3.629 20 0 GHADHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308089781 1049837384 /nfs/dbraw/zinc/83/73/84/1049837384.db2.gz OFHLXAZWOFZOMS-GOSISDBHSA-N 1 3 388.556 3.629 20 0 GHADHO C[C@H]1C[NH+](CCCCNCc2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC001308282024 1049936163 /nfs/dbraw/zinc/93/61/63/1049936163.db2.gz ZJWWWKPSKIYEBH-STQMWFEESA-N 1 3 391.300 3.706 20 0 GHADHO C[C@H](N[C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001308682411 1050058492 /nfs/dbraw/zinc/05/84/92/1050058492.db2.gz UFPMIHAXCKIFEW-JBACZVJFSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@H](N[C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001308682411 1050058498 /nfs/dbraw/zinc/05/84/98/1050058498.db2.gz UFPMIHAXCKIFEW-JBACZVJFSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@H]([NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001308682411 1050058504 /nfs/dbraw/zinc/05/85/04/1050058504.db2.gz UFPMIHAXCKIFEW-JBACZVJFSA-N 1 3 385.552 3.640 20 0 GHADHO COC1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCCC1 ZINC001308758433 1050084719 /nfs/dbraw/zinc/08/47/19/1050084719.db2.gz SROFZCGYECLEID-HSZRJFAPSA-N 1 3 385.596 3.618 20 0 GHADHO COC1(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCCC1 ZINC001308758433 1050084723 /nfs/dbraw/zinc/08/47/23/1050084723.db2.gz SROFZCGYECLEID-HSZRJFAPSA-N 1 3 385.596 3.618 20 0 GHADHO FC(F)Oc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC001328411821 1050501296 /nfs/dbraw/zinc/50/12/96/1050501296.db2.gz ATMFDUMAWBDDEX-STQMWFEESA-N 1 3 376.394 3.711 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(C(C)(C)O)cc1 ZINC001334361949 1051934118 /nfs/dbraw/zinc/93/41/18/1051934118.db2.gz XGQLKNDWKIYIKN-LJQANCHMSA-N 1 3 381.564 3.512 20 0 GHADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC001336737872 1052318824 /nfs/dbraw/zinc/31/88/24/1052318824.db2.gz RWIRLEALFNJSTN-HSZRJFAPSA-N 1 3 385.596 3.930 20 0 GHADHO CC1([NH+]2CCC2)CCC(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001313167261 1052974475 /nfs/dbraw/zinc/97/44/75/1052974475.db2.gz LUSNGKSVXBRIFJ-XERBYJISSA-N 1 3 398.595 3.747 20 0 GHADHO CN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1)[C@H]1CCCN(C)C1 ZINC001313246135 1052995374 /nfs/dbraw/zinc/99/53/74/1052995374.db2.gz DYTAEPYVRLUHOY-NRFANRHFSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1)[C@H]1CCCN(C)C1 ZINC001313246135 1052995376 /nfs/dbraw/zinc/99/53/76/1052995376.db2.gz DYTAEPYVRLUHOY-NRFANRHFSA-N 1 3 386.584 3.557 20 0 GHADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC001318864626 1054922810 /nfs/dbraw/zinc/92/28/10/1054922810.db2.gz CIWOVVWQAKDTME-XZOQPEGZSA-N 1 3 383.580 3.540 20 0 GHADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC001318864626 1054922813 /nfs/dbraw/zinc/92/28/13/1054922813.db2.gz CIWOVVWQAKDTME-XZOQPEGZSA-N 1 3 383.580 3.540 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccccc2N2CCN(C)CC2)CC1 ZINC001319288604 1055158246 /nfs/dbraw/zinc/15/82/46/1055158246.db2.gz CVYXWZAEDTUSCZ-OFNKIYASSA-N 1 3 384.612 3.571 20 0 GHADHO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000848533055 1057153957 /nfs/dbraw/zinc/15/39/57/1057153957.db2.gz GTSUAUDADNKLPP-OHNRDTAOSA-N 1 3 387.351 3.648 20 0 GHADHO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000848533057 1057154291 /nfs/dbraw/zinc/15/42/91/1057154291.db2.gz GTSUAUDADNKLPP-ZBQZNYHESA-N 1 3 387.351 3.648 20 0 GHADHO [NH2+]=C(NCC1CC(c2ccccc2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000848992500 1057496570 /nfs/dbraw/zinc/49/65/70/1057496570.db2.gz DSXPAKIVJRKQMA-UHFFFAOYSA-N 1 3 376.548 3.959 20 0 GHADHO COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326583086 1057516678 /nfs/dbraw/zinc/51/66/78/1057516678.db2.gz CHXJJBJRQQKNDX-QFIPXVFZSA-N 1 3 399.579 3.605 20 0 GHADHO C[C@@H](OCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000849056378 1057567903 /nfs/dbraw/zinc/56/79/03/1057567903.db2.gz JEHRQHTVWHTWEW-HXUWFJFHSA-N 1 3 394.563 3.933 20 0 GHADHO C[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)COCc1ccccc1 ZINC000849068622 1057579584 /nfs/dbraw/zinc/57/95/84/1057579584.db2.gz YLXRGWHFXBMTCD-HXUWFJFHSA-N 1 3 394.563 3.618 20 0 GHADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCc2ccccc2F)cc1 ZINC000849087797 1057588341 /nfs/dbraw/zinc/58/83/41/1057588341.db2.gz OKALVKAJBSLDLF-IBGZPJMESA-N 1 3 384.499 3.503 20 0 GHADHO CCC(CC)c1cc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)on1 ZINC000849092815 1057591238 /nfs/dbraw/zinc/59/12/38/1057591238.db2.gz HRYLUDZKCVKOGC-UHFFFAOYSA-N 1 3 383.540 3.857 20 0 GHADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001442716418 1058997736 /nfs/dbraw/zinc/99/77/36/1058997736.db2.gz DPRGPJCLEARYGF-OAHLLOKOSA-N 1 3 387.490 3.762 20 0 GHADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC001446718022 1059840875 /nfs/dbraw/zinc/84/08/75/1059840875.db2.gz WOWAYVMAKGEBBP-MOUTVQLLSA-N 1 3 397.607 3.914 20 0 GHADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC001446718022 1059840901 /nfs/dbraw/zinc/84/09/01/1059840901.db2.gz WOWAYVMAKGEBBP-MOUTVQLLSA-N 1 3 397.607 3.914 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001450132458 1060538883 /nfs/dbraw/zinc/53/88/83/1060538883.db2.gz PGUYCTSZOUYRBF-UXHICEINSA-N 1 3 377.598 3.638 20 0 GHADHO CCC[C@]1(C)CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001459569878 1064131330 /nfs/dbraw/zinc/13/13/30/1064131330.db2.gz IPISTBZAPRZOQD-XMMPIXPASA-N 1 3 385.596 3.978 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1Cc1ccccc1 ZINC001465145278 1065416295 /nfs/dbraw/zinc/41/62/95/1065416295.db2.gz HZUQYBCLRSWNAK-IBGZPJMESA-N 1 3 382.552 3.671 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1Cc1ccccc1 ZINC001465145278 1065416319 /nfs/dbraw/zinc/41/63/19/1065416319.db2.gz HZUQYBCLRSWNAK-IBGZPJMESA-N 1 3 382.552 3.671 20 0 GHADHO Cc1oc(-c2cccs2)nc1CNCCc1ccc(OCC[NH+](C)C)cc1 ZINC001200331662 1065937380 /nfs/dbraw/zinc/93/73/80/1065937380.db2.gz ACYZBSQOYRGUPN-UHFFFAOYSA-N 1 3 385.533 3.984 20 0 GHADHO CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC001467717329 1067435580 /nfs/dbraw/zinc/43/55/80/1067435580.db2.gz YKYOHWUXDZIDDJ-OAQYLSRUSA-N 1 3 386.584 3.729 20 0 GHADHO CC1([NH+]2CCC2)CCC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC001468023947 1067570250 /nfs/dbraw/zinc/57/02/50/1067570250.db2.gz OVJKRKKVNKNVAY-IDYZSHNDSA-N 1 3 390.597 3.591 20 0 GHADHO C[C@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC001468265857 1067659290 /nfs/dbraw/zinc/65/92/90/1067659290.db2.gz HIEGPIOYACBQFV-YOUFYPILSA-N 1 3 388.600 3.734 20 0 GHADHO C[C@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC001468265857 1067659292 /nfs/dbraw/zinc/65/92/92/1067659292.db2.gz HIEGPIOYACBQFV-YOUFYPILSA-N 1 3 388.600 3.734 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)N(C)C)cc1 ZINC001468351916 1067698978 /nfs/dbraw/zinc/69/89/78/1067698978.db2.gz SEYMURMTAPHJRN-VXKWHMMOSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)N(C)C)cc1 ZINC001468351916 1067698980 /nfs/dbraw/zinc/69/89/80/1067698980.db2.gz SEYMURMTAPHJRN-VXKWHMMOSA-N 1 3 386.584 3.694 20 0 GHADHO CCOc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1F ZINC000849099908 1067726509 /nfs/dbraw/zinc/72/65/09/1067726509.db2.gz IBICMOFERCJVAF-UHFFFAOYSA-N 1 3 384.499 3.503 20 0 GHADHO CSCc1cccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849108652 1067732671 /nfs/dbraw/zinc/73/26/71/1067732671.db2.gz WSFYNEKTQVXZTF-UHFFFAOYSA-N 1 3 382.577 3.828 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NCC[C@@H](C)[NH+]3CCCCC3)CC2)CC1 ZINC001478418581 1078860249 /nfs/dbraw/zinc/86/02/49/1078860249.db2.gz NWMBIAVZTSDLCO-ITAUSPCMSA-N 1 3 392.632 3.793 20 0 GHADHO CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CC[C@H]1CCCN1C)CC2 ZINC001460928986 1069279929 /nfs/dbraw/zinc/27/99/29/1069279929.db2.gz BEKRTDMGUVHQQG-MOPGFXCFSA-N 1 3 379.589 3.828 20 0 GHADHO CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001460928986 1069279937 /nfs/dbraw/zinc/27/99/37/1069279937.db2.gz BEKRTDMGUVHQQG-MOPGFXCFSA-N 1 3 379.589 3.828 20 0 GHADHO CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(CC[C@H]1CCC[N@H+]1C)CC2 ZINC001460928986 1069279944 /nfs/dbraw/zinc/27/99/44/1069279944.db2.gz BEKRTDMGUVHQQG-MOPGFXCFSA-N 1 3 379.589 3.828 20 0 GHADHO CC1(C)CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC(C)(C)[NH2+]1 ZINC001472410022 1073472995 /nfs/dbraw/zinc/47/29/95/1073472995.db2.gz WXFMACLWMVIPLD-SFHVURJKSA-N 1 3 393.522 3.523 20 0 GHADHO C[C@H](CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)N(C)Cc1ccccc1 ZINC001472509814 1073522204 /nfs/dbraw/zinc/52/22/04/1073522204.db2.gz YWKXSYVSJJQUKQ-XXBNENTESA-N 1 3 379.548 3.746 20 0 GHADHO C[C@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)N(C)Cc1ccccc1 ZINC001472509814 1073522213 /nfs/dbraw/zinc/52/22/13/1073522213.db2.gz YWKXSYVSJJQUKQ-XXBNENTESA-N 1 3 379.548 3.746 20 0 GHADHO C[NH+](C)[C@H](CNC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C)c1ccccc1 ZINC001473311121 1073915947 /nfs/dbraw/zinc/91/59/47/1073915947.db2.gz XCXHWKJMFAJDSX-IRLDBZIGSA-N 1 3 385.527 3.922 20 0 GHADHO FC(F)(F)[C@H]1CCC[C@@H](C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807498 1074153618 /nfs/dbraw/zinc/15/36/18/1074153618.db2.gz PCYXBIQCRZRKKO-FUMNGEBKSA-N 1 3 382.470 3.940 20 0 GHADHO FC(F)(F)[C@H]1CCC[C@@H](C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807498 1074153620 /nfs/dbraw/zinc/15/36/20/1074153620.db2.gz PCYXBIQCRZRKKO-FUMNGEBKSA-N 1 3 382.470 3.940 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001474646312 1074497461 /nfs/dbraw/zinc/49/74/61/1074497461.db2.gz YGFSBPAHTFDQTQ-CEXWTWQISA-N 1 3 377.573 3.534 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCc3cc(O)ccc3C2)CC1 ZINC000683474194 837387102 /nfs/dbraw/zinc/38/71/02/837387102.db2.gz YZDWNZCMPACPDM-QFIPXVFZSA-N 1 3 379.548 3.571 20 0 GHADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000584427183 834578514 /nfs/dbraw/zinc/57/85/14/834578514.db2.gz KVPZTWTUGGZMPX-QGZVFWFLSA-N 1 3 380.374 3.880 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879898 834622141 /nfs/dbraw/zinc/62/21/41/834622141.db2.gz JVWPOBMLWSPGGE-XQBPLPMBSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879898 834622149 /nfs/dbraw/zinc/62/21/49/834622149.db2.gz JVWPOBMLWSPGGE-XQBPLPMBSA-N 1 3 375.520 3.971 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc3c(c2)OCCCO3)CC1 ZINC000151908982 834665975 /nfs/dbraw/zinc/66/59/75/834665975.db2.gz DTZAJKLYJBBHHA-UHFFFAOYSA-N 1 3 395.547 3.670 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000654983125 834910056 /nfs/dbraw/zinc/91/00/56/834910056.db2.gz VSPFUZNJGQGRAL-RUZDIDTESA-N 1 3 397.607 3.593 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000108965140 834946411 /nfs/dbraw/zinc/94/64/11/834946411.db2.gz WPHACARXLJMVIO-HXUWFJFHSA-N 1 3 383.561 3.911 20 0 GHADHO COc1cc2[nH+]ccc(NC3CCN([C@@H](C)c4ccncc4)CC3)c2cc1OC ZINC000583867980 835174848 /nfs/dbraw/zinc/17/48/48/835174848.db2.gz ZUJAHJAJOQRWPN-INIZCTEOSA-N 1 3 392.503 3.706 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccsc1 ZINC000500810030 844033280 /nfs/dbraw/zinc/03/32/80/844033280.db2.gz PNXDQJJZQMNHRI-HXUWFJFHSA-N 1 3 394.629 3.894 20 0 GHADHO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000657970502 835327088 /nfs/dbraw/zinc/32/70/88/835327088.db2.gz FAVSLVXQDVVIGY-NAVOZUGXSA-N 1 3 386.580 3.708 20 0 GHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000583999601 835381031 /nfs/dbraw/zinc/38/10/31/835381031.db2.gz QFMDTHAVCAGCOQ-KRWDZBQOSA-N 1 3 386.499 3.830 20 0 GHADHO COc1cccc2cc([C@@H](C)NCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)oc21 ZINC000658142461 835453754 /nfs/dbraw/zinc/45/37/54/835453754.db2.gz YKDCISOFYXIXCJ-UZLBHIALSA-N 1 3 380.488 3.859 20 0 GHADHO COc1cccc2cc([C@@H](C)NCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)oc21 ZINC000658142461 835453759 /nfs/dbraw/zinc/45/37/59/835453759.db2.gz YKDCISOFYXIXCJ-UZLBHIALSA-N 1 3 380.488 3.859 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1NC(C)=O ZINC000658166223 835481953 /nfs/dbraw/zinc/48/19/53/835481953.db2.gz NEDSUUHPZOATKD-QGZVFWFLSA-N 1 3 396.535 3.611 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(-n3cccn3)cc2)CC1 ZINC000151535885 835510409 /nfs/dbraw/zinc/51/04/09/835510409.db2.gz HNAPJNWYTXMBNH-UHFFFAOYSA-N 1 3 389.547 3.694 20 0 GHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000547736433 835882640 /nfs/dbraw/zinc/88/26/40/835882640.db2.gz DXZMGGWFJAKUGI-JOCHJYFZSA-N 1 3 387.568 3.603 20 0 GHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000547736433 835882644 /nfs/dbraw/zinc/88/26/44/835882644.db2.gz DXZMGGWFJAKUGI-JOCHJYFZSA-N 1 3 387.568 3.603 20 0 GHADHO C[C@@H]1C[NH+](CC2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000092587334 844122440 /nfs/dbraw/zinc/12/24/40/844122440.db2.gz KQYHDVMCYMTKQB-IAGOWNOFSA-N 1 3 386.515 3.537 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483719 844154907 /nfs/dbraw/zinc/15/49/07/844154907.db2.gz WFHZNZFAIKBUIO-UGKGYDQZSA-N 1 3 377.532 3.814 20 0 GHADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(-c2ccccc2)s1 ZINC000414181097 836416330 /nfs/dbraw/zinc/41/63/30/836416330.db2.gz BWJCDLKFWKSFFA-IBGZPJMESA-N 1 3 399.604 3.862 20 0 GHADHO C[C@H]1C[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000570165730 836482556 /nfs/dbraw/zinc/48/25/56/836482556.db2.gz AGEIQBWVODSHSP-CVDCTZTESA-N 1 3 391.559 3.622 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000093844526 844203836 /nfs/dbraw/zinc/20/38/36/844203836.db2.gz PGUBOLSRDHYPRG-LJQANCHMSA-N 1 3 381.568 3.959 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000093844526 844203844 /nfs/dbraw/zinc/20/38/44/844203844.db2.gz PGUBOLSRDHYPRG-LJQANCHMSA-N 1 3 381.568 3.959 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@H]3CCc4ccc(Cl)cc43)cc2)CC1 ZINC000414330742 837166607 /nfs/dbraw/zinc/16/66/07/837166607.db2.gz SJAPHXJDFMPCHX-QFIPXVFZSA-N 1 3 397.950 3.814 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(Cl)c1 ZINC000414335777 837205412 /nfs/dbraw/zinc/20/54/12/837205412.db2.gz YOIUAZLUKYBSQJ-INIZCTEOSA-N 1 3 385.939 3.888 20 0 GHADHO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579953559 838015563 /nfs/dbraw/zinc/01/55/63/838015563.db2.gz SAJRRKRYEWEKSL-UPJWGTAASA-N 1 3 389.849 3.617 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000659285446 838203262 /nfs/dbraw/zinc/20/32/62/838203262.db2.gz PBQIXNCXAVHQJS-QHCPKHFHSA-N 1 3 377.532 3.913 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000415918664 838278465 /nfs/dbraw/zinc/27/84/65/838278465.db2.gz LSDGEQMWCZKJLX-JOCHJYFZSA-N 1 3 380.536 3.924 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)c1cccc(OC)c1 ZINC000415983999 838362022 /nfs/dbraw/zinc/36/20/22/838362022.db2.gz HHGOTEQOSDVYBB-NRFANRHFSA-N 1 3 384.524 3.619 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000415995104 838372435 /nfs/dbraw/zinc/37/24/35/838372435.db2.gz JTKUBYVWYZOARE-UHFFFAOYSA-N 1 3 390.531 3.810 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000415995104 838372448 /nfs/dbraw/zinc/37/24/48/838372448.db2.gz JTKUBYVWYZOARE-UHFFFAOYSA-N 1 3 390.531 3.810 20 0 GHADHO Cn1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c(-c2cccs2)n1 ZINC000376730380 838657344 /nfs/dbraw/zinc/65/73/44/838657344.db2.gz XRPGCTGEPFZZPA-UHFFFAOYSA-N 1 3 396.560 3.911 20 0 GHADHO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000580070146 838801987 /nfs/dbraw/zinc/80/19/87/838801987.db2.gz RHGVFYHQTWDPKU-NRFANRHFSA-N 1 3 397.950 3.555 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000580118542 838903474 /nfs/dbraw/zinc/90/34/74/838903474.db2.gz GSMDQWVGVYFFMA-UXHICEINSA-N 1 3 375.582 3.534 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000580118542 838903481 /nfs/dbraw/zinc/90/34/81/838903481.db2.gz GSMDQWVGVYFFMA-UXHICEINSA-N 1 3 375.582 3.534 20 0 GHADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)C1 ZINC000643083067 839145613 /nfs/dbraw/zinc/14/56/13/839145613.db2.gz PXGYTOPUESNEGE-GMAHTHKFSA-N 1 3 393.531 3.657 20 0 GHADHO CCCCCOc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415117226 839229201 /nfs/dbraw/zinc/22/92/01/839229201.db2.gz BZMDHRKWRNGECZ-IFMALSPDSA-N 1 3 390.568 3.983 20 0 GHADHO O=C(CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1F ZINC000580298158 839302877 /nfs/dbraw/zinc/30/28/77/839302877.db2.gz PBBPZOMMJDTCGV-UXHICEINSA-N 1 3 381.495 3.608 20 0 GHADHO O=C(CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1F ZINC000580298158 839302890 /nfs/dbraw/zinc/30/28/90/839302890.db2.gz PBBPZOMMJDTCGV-UXHICEINSA-N 1 3 381.495 3.608 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(C)OCCc3sccc32)CC1 ZINC000580367239 839397809 /nfs/dbraw/zinc/39/78/09/839397809.db2.gz QSCFYZZALMZJQC-QHCPKHFHSA-N 1 3 399.604 3.858 20 0 GHADHO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000580696680 840026697 /nfs/dbraw/zinc/02/66/97/840026697.db2.gz DSRGHPDDRPTPEH-VSKRKVRLSA-N 1 3 378.520 3.573 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000187284690 840641840 /nfs/dbraw/zinc/64/18/40/840641840.db2.gz PFBZOHAJHNWQSW-PGRDOPGGSA-N 1 3 377.532 3.738 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000187284690 840641846 /nfs/dbraw/zinc/64/18/46/840641846.db2.gz PFBZOHAJHNWQSW-PGRDOPGGSA-N 1 3 377.532 3.738 20 0 GHADHO COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000509908047 844580763 /nfs/dbraw/zinc/58/07/63/844580763.db2.gz GZVMYBRHMFSVAX-LTGZKZEYSA-N 1 3 393.575 3.774 20 0 GHADHO CC(C)[C@@](C)(CN)[NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000430579720 841230060 /nfs/dbraw/zinc/23/00/60/841230060.db2.gz CSLQEACBGSZQDI-CQSZACIVSA-N 1 3 385.352 3.626 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001167823200 841995460 /nfs/dbraw/zinc/99/54/60/841995460.db2.gz BWSXZVHRZPGNIH-MLDBQTBOSA-N 1 3 389.584 3.588 20 0 GHADHO CC1CCC(N2CCN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC000604423966 842027733 /nfs/dbraw/zinc/02/77/33/842027733.db2.gz PSTCNXIUUROJKF-UHFFFAOYSA-N 1 3 398.595 3.557 20 0 GHADHO Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2cccs2)cc1 ZINC000563153654 842055973 /nfs/dbraw/zinc/05/59/73/842055973.db2.gz CRXRMCZTAWLBDI-MZKRTTBSSA-N 1 3 397.588 3.584 20 0 GHADHO CCN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@@H]1CCN(C)C1 ZINC000663560735 842183179 /nfs/dbraw/zinc/18/31/79/842183179.db2.gz AQXBBXOPPMQNIF-JOCHJYFZSA-N 1 3 394.563 3.651 20 0 GHADHO C[C@@H]1C[N@H+](CCCNCc2ccc(Br)c3cccnc23)CCCO1 ZINC000432363023 842235866 /nfs/dbraw/zinc/23/58/66/842235866.db2.gz RNARUGXGBXGCTL-OAHLLOKOSA-N 1 3 392.341 3.588 20 0 GHADHO C[C@@H]1C[N@@H+](CCCNCc2ccc(Br)c3cccnc23)CCCO1 ZINC000432363023 842235874 /nfs/dbraw/zinc/23/58/74/842235874.db2.gz RNARUGXGBXGCTL-OAHLLOKOSA-N 1 3 392.341 3.588 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887541 842463791 /nfs/dbraw/zinc/46/37/91/842463791.db2.gz UUKBJDANKZWMRZ-QUCCMNQESA-N 1 3 376.541 3.553 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887541 842463799 /nfs/dbraw/zinc/46/37/99/842463799.db2.gz UUKBJDANKZWMRZ-QUCCMNQESA-N 1 3 376.541 3.553 20 0 GHADHO Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)ccc1OCC[NH+](C)C ZINC000652434041 842527204 /nfs/dbraw/zinc/52/72/04/842527204.db2.gz OOBXFIUOGKBNIU-CVEARBPZSA-N 1 3 388.430 3.622 20 0 GHADHO CCCOc1cc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1OC ZINC000512188305 842843074 /nfs/dbraw/zinc/84/30/74/842843074.db2.gz YCYSOOIQAKSBEG-RTBURBONSA-N 1 3 390.568 3.805 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1cccc2c1CC[NH2+]C2)Nc1ccccc1 ZINC000662251154 843011017 /nfs/dbraw/zinc/01/10/17/843011017.db2.gz AEJJNBWFWRRPTN-NRFANRHFSA-N 1 3 378.520 3.509 20 0 GHADHO C[C@@H]1CCCN(CC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313268 843133329 /nfs/dbraw/zinc/13/33/29/843133329.db2.gz INSRSLYCDBZDOA-JUXOCIIHSA-N 1 3 385.577 3.793 20 0 GHADHO CN(C(=O)CC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663368475 843331926 /nfs/dbraw/zinc/33/19/26/843331926.db2.gz FYTQIKZJHSFTTG-QFIPXVFZSA-N 1 3 391.559 3.931 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000165298137 843357652 /nfs/dbraw/zinc/35/76/52/843357652.db2.gz IJOLCHHKJZWWAY-CTNGQTDRSA-N 1 3 393.531 3.858 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCCF)cc1 ZINC000510733014 843372724 /nfs/dbraw/zinc/37/27/24/843372724.db2.gz JOPCRWAIUNGWNU-FPOVZHCZSA-N 1 3 375.532 3.520 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431062717 843525278 /nfs/dbraw/zinc/52/52/78/843525278.db2.gz SQIZMTKGTKWPOJ-GCJKJVERSA-N 1 3 390.531 3.555 20 0 GHADHO CCCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418730574 843578756 /nfs/dbraw/zinc/57/87/56/843578756.db2.gz SNGRXNVQJONXFE-BHIFYINESA-N 1 3 386.584 3.590 20 0 GHADHO C[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000604178803 843641167 /nfs/dbraw/zinc/64/11/67/843641167.db2.gz FQVAEQORZWUVTH-IRLDBZIGSA-N 1 3 386.584 3.635 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CC3CCC3)c3ccccc3)CC2)CC1 ZINC000180990862 844676536 /nfs/dbraw/zinc/67/65/36/844676536.db2.gz GDACFGRXKVUZOL-HSZRJFAPSA-N 1 3 398.595 3.776 20 0 GHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(c3ncc(C)s3)CC2)CC1 ZINC000433031243 845017754 /nfs/dbraw/zinc/01/77/54/845017754.db2.gz NBYJAVQWOSUNAJ-UHFFFAOYSA-N 1 3 384.593 3.973 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnn(C)c1C(F)(F)F ZINC000179389179 861559875 /nfs/dbraw/zinc/55/98/75/861559875.db2.gz JYGMZSFOMXPCMR-UHFFFAOYSA-N 1 3 381.446 3.572 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000179390764 861561461 /nfs/dbraw/zinc/56/14/61/861561461.db2.gz NAKPYOAMPYMMBJ-GGAORHGYSA-N 1 3 398.595 3.801 20 0 GHADHO c1ccc([C@H](CN2CCOCC2)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000411465834 845482141 /nfs/dbraw/zinc/48/21/41/845482141.db2.gz XZDOWFCHAPOZNR-VWLOTQADSA-N 1 3 393.575 3.836 20 0 GHADHO C[C@H](NCCC(=O)NCc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519327 845543095 /nfs/dbraw/zinc/54/30/95/845543095.db2.gz RVOZFPGMOHZKTR-FUHWJXTLSA-N 1 3 377.960 3.589 20 0 GHADHO C[C@H](NCCC(=O)NCc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519327 845543104 /nfs/dbraw/zinc/54/31/04/845543104.db2.gz RVOZFPGMOHZKTR-FUHWJXTLSA-N 1 3 377.960 3.589 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccnn1-c1ccncc1 ZINC000657311563 846051615 /nfs/dbraw/zinc/05/16/15/846051615.db2.gz NRHAFIPRVCKJQA-LJQANCHMSA-N 1 3 375.520 3.932 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccnn1-c1ccncc1 ZINC000657311563 846051625 /nfs/dbraw/zinc/05/16/25/846051625.db2.gz NRHAFIPRVCKJQA-LJQANCHMSA-N 1 3 375.520 3.932 20 0 GHADHO CC(C)c1ccc([C@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000157742115 846154197 /nfs/dbraw/zinc/15/41/97/846154197.db2.gz CPOJFJNSEVNYNR-LJQANCHMSA-N 1 3 385.596 3.978 20 0 GHADHO C[C@@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000513666645 846232695 /nfs/dbraw/zinc/23/26/95/846232695.db2.gz MWGVYOHEFRIYAZ-AIYYMTJKSA-N 1 3 393.531 3.825 20 0 GHADHO C[C@@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000513666645 846232703 /nfs/dbraw/zinc/23/27/03/846232703.db2.gz MWGVYOHEFRIYAZ-AIYYMTJKSA-N 1 3 393.531 3.825 20 0 GHADHO CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582122937 846419750 /nfs/dbraw/zinc/41/97/50/846419750.db2.gz TYIKWPIIYKNSET-QZTJIDSGSA-N 1 3 381.520 3.541 20 0 GHADHO COC1([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000421857701 846625183 /nfs/dbraw/zinc/62/51/83/846625183.db2.gz POHCSIGKXMOFQM-UNMCSNQZSA-N 1 3 386.580 3.853 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccsc1 ZINC000501130734 846661167 /nfs/dbraw/zinc/66/11/67/846661167.db2.gz DNSACZBQDZOAIM-SFHVURJKSA-N 1 3 380.602 3.695 20 0 GHADHO Cc1cc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000582299878 846818719 /nfs/dbraw/zinc/81/87/19/846818719.db2.gz MDJRFCMANIKFIH-QHCPKHFHSA-N 1 3 394.563 3.944 20 0 GHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccccc1 ZINC000503130751 846834088 /nfs/dbraw/zinc/83/40/88/846834088.db2.gz JCZJFRIZWMTQDK-UGKGYDQZSA-N 1 3 396.579 3.588 20 0 GHADHO CC[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccccc1OC(F)F ZINC000158507085 847043861 /nfs/dbraw/zinc/04/38/61/847043861.db2.gz UKQUZUGFXVRPAQ-GOSISDBHSA-N 1 3 390.478 3.676 20 0 GHADHO COc1c(O)cccc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000272369570 847061920 /nfs/dbraw/zinc/06/19/20/847061920.db2.gz GIXRWTIRPVLUHP-UHFFFAOYSA-N 1 3 384.520 3.562 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501855219 847264170 /nfs/dbraw/zinc/26/41/70/847264170.db2.gz LXLBTRLMVACQEJ-SQXWHWBNSA-N 1 3 398.595 3.602 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501855219 847264181 /nfs/dbraw/zinc/26/41/81/847264181.db2.gz LXLBTRLMVACQEJ-SQXWHWBNSA-N 1 3 398.595 3.602 20 0 GHADHO CN(Cc1cc(Br)ccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC000513733139 847541226 /nfs/dbraw/zinc/54/12/26/847541226.db2.gz NXZDLOMWDZLTFI-UHFFFAOYSA-N 1 3 377.273 3.824 20 0 GHADHO FC(F)(F)c1ccn(-c2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000422721535 847796792 /nfs/dbraw/zinc/79/67/92/847796792.db2.gz OEQKPZYWPIFSHB-OKZBNKHCSA-N 1 3 378.442 3.901 20 0 GHADHO c1cc(Oc2ccccc2)oc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000503580441 847813890 /nfs/dbraw/zinc/81/38/90/847813890.db2.gz ADVYIGOTDLPYPP-UHFFFAOYSA-N 1 3 392.503 3.769 20 0 GHADHO COc1cc2[nH]c(CCC[NH2+][C@H](C)c3ccc(CN)nc3C)cc2c(OC)c1 ZINC000422850726 847854026 /nfs/dbraw/zinc/85/40/26/847854026.db2.gz DKOWFSKGTHTGNI-CQSZACIVSA-N 1 3 382.508 3.631 20 0 GHADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422878371 847865511 /nfs/dbraw/zinc/86/55/11/847865511.db2.gz JAKLLNONWZBABT-UGKGYDQZSA-N 1 3 381.520 3.701 20 0 GHADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422902509 847878889 /nfs/dbraw/zinc/87/88/89/847878889.db2.gz DOCSAIHKVRZAHO-ZSYWTGECSA-N 1 3 377.960 3.828 20 0 GHADHO C[C@@H](CCCC[NH3+])N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000422920265 847902968 /nfs/dbraw/zinc/90/29/68/847902968.db2.gz MCJNBFLXNDITJD-XOBRGWDASA-N 1 3 396.503 3.565 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000422944001 847907423 /nfs/dbraw/zinc/90/74/23/847907423.db2.gz LWPVVOIDCLWRLB-GLUARIRHSA-N 1 3 385.596 3.696 20 0 GHADHO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CCCC[C@H]3CN)cc2)cc1 ZINC000422943909 847907650 /nfs/dbraw/zinc/90/76/50/847907650.db2.gz ZBPOMKVNRLAXSZ-REWPJTCUSA-N 1 3 395.547 3.662 20 0 GHADHO CCOC(=O)C1([C@H](C)N[C@@H](c2ccccc2)c2ccccc2OC)CC[NH2+]CC1 ZINC000422961358 847917070 /nfs/dbraw/zinc/91/70/70/847917070.db2.gz YYIZLAOGJIZBKK-AVRDEDQJSA-N 1 3 396.531 3.696 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423046738 847941818 /nfs/dbraw/zinc/94/18/18/847941818.db2.gz FQRHCDPUWVSWCG-BFUOFWGJSA-N 1 3 380.458 3.821 20 0 GHADHO CCC(CC)(CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000503797601 847949757 /nfs/dbraw/zinc/94/97/57/847949757.db2.gz WJTOUYGUVCCFMX-WIYYLYMNSA-N 1 3 386.584 3.774 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423082067 847970327 /nfs/dbraw/zinc/97/03/27/847970327.db2.gz DUDZLLFWHAKVCC-ZAAXVRCTSA-N 1 3 388.353 3.576 20 0 GHADHO COc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(OC(F)F)c1 ZINC000657611983 848325538 /nfs/dbraw/zinc/32/55/38/848325538.db2.gz HJNNPUZLDTUVDQ-UHFFFAOYSA-N 1 3 391.462 3.693 20 0 GHADHO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613207 848328024 /nfs/dbraw/zinc/32/80/24/848328024.db2.gz INVSSVNINWCZGK-UHFFFAOYSA-N 1 3 389.547 3.886 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1nc2ccccc2n1C ZINC000180054963 861925580 /nfs/dbraw/zinc/92/55/80/861925580.db2.gz FOPFXZCBBAICCC-FQEVSTJZSA-N 1 3 391.563 3.826 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000604202520 861942300 /nfs/dbraw/zinc/94/23/00/861942300.db2.gz NWJIBEXONIIMNM-GOTSBHOMSA-N 1 3 398.595 3.874 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)N2CCCC2)cc1 ZINC000535974363 849432687 /nfs/dbraw/zinc/43/26/87/849432687.db2.gz LABPQSPLPWSPQG-PKTZIBPZSA-N 1 3 398.595 3.505 20 0 GHADHO COc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1OC ZINC000423135536 849768652 /nfs/dbraw/zinc/76/86/52/849768652.db2.gz YGWGDHIAXFRYRB-XKDCRVNJSA-N 1 3 382.504 3.919 20 0 GHADHO Fc1cc(OCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1Cl ZINC000423159612 849777650 /nfs/dbraw/zinc/77/76/50/849777650.db2.gz YLYZWGHDPPKXKG-AZUAARDMSA-N 1 3 376.859 3.703 20 0 GHADHO CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423448068 849923105 /nfs/dbraw/zinc/92/31/05/849923105.db2.gz DQXCETWGVZNTBH-SCTDSRPQSA-N 1 3 384.351 3.681 20 0 GHADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749973 849972218 /nfs/dbraw/zinc/97/22/18/849972218.db2.gz QHJBIQYIOURINU-HUUCEWRRSA-N 1 3 386.367 3.964 20 0 GHADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749973 849972224 /nfs/dbraw/zinc/97/22/24/849972224.db2.gz QHJBIQYIOURINU-HUUCEWRRSA-N 1 3 386.367 3.964 20 0 GHADHO CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475027217 862088006 /nfs/dbraw/zinc/08/80/06/862088006.db2.gz GJGAFBQCBYTRKH-DHIUTWEWSA-N 1 3 394.563 3.595 20 0 GHADHO CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475027217 862088014 /nfs/dbraw/zinc/08/80/14/862088014.db2.gz GJGAFBQCBYTRKH-DHIUTWEWSA-N 1 3 394.563 3.595 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167958500 850273826 /nfs/dbraw/zinc/27/38/26/850273826.db2.gz GAHOWQKYINMNQU-WSCSCYJOSA-N 1 3 377.573 3.817 20 0 GHADHO C[NH+](C)CCOc1cc(CN[C@@H](Cc2ccncc2)c2cccs2)ccn1 ZINC000424293493 850337633 /nfs/dbraw/zinc/33/76/33/850337633.db2.gz WPPMCFOHHJDVKH-IBGZPJMESA-N 1 3 382.533 3.552 20 0 GHADHO CC1CCN([C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)c2cccs2)CC1 ZINC000514934614 850503858 /nfs/dbraw/zinc/50/38/58/850503858.db2.gz UZVIZRGSMMKRRJ-VQTJNVASSA-N 1 3 383.561 3.524 20 0 GHADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)ccc1OC ZINC000519201262 850753595 /nfs/dbraw/zinc/75/35/95/850753595.db2.gz DLJGBCSGQIIBPX-KURKYZTESA-N 1 3 391.556 3.616 20 0 GHADHO [NH3+][C@H](CNC1CCN(Cc2ccccc2Br)CC1)c1ccccc1 ZINC000414825197 850796585 /nfs/dbraw/zinc/79/65/85/850796585.db2.gz BXPFCJMYUWXDOO-HXUWFJFHSA-N 1 3 388.353 3.703 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000515294253 850882257 /nfs/dbraw/zinc/88/22/57/850882257.db2.gz HMGSORJFICHUED-QFIPXVFZSA-N 1 3 386.584 3.587 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434351800 851005111 /nfs/dbraw/zinc/00/51/11/851005111.db2.gz DIRMJIPCYOFFNE-UGKGYDQZSA-N 1 3 390.616 3.689 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434351800 851005113 /nfs/dbraw/zinc/00/51/13/851005113.db2.gz DIRMJIPCYOFFNE-UGKGYDQZSA-N 1 3 390.616 3.689 20 0 GHADHO NC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000515462406 851050896 /nfs/dbraw/zinc/05/08/96/851050896.db2.gz NDGILQYLYCXJPZ-YPAWHYETSA-N 1 3 378.520 3.710 20 0 GHADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000515475647 851074974 /nfs/dbraw/zinc/07/49/74/851074974.db2.gz CEXARHSNNKIWOB-VXKWHMMOSA-N 1 3 383.536 3.748 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000514126922 851266090 /nfs/dbraw/zinc/26/60/90/851266090.db2.gz NOOKZRZPXRPICG-KCZVDYSFSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000514126922 851266108 /nfs/dbraw/zinc/26/61/08/851266108.db2.gz NOOKZRZPXRPICG-KCZVDYSFSA-N 1 3 386.584 3.776 20 0 GHADHO CC[NH+](CC)CCCC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000488272016 851336590 /nfs/dbraw/zinc/33/65/90/851336590.db2.gz LSEQGBJBRPQYHW-UHFFFAOYSA-N 1 3 388.552 3.865 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000436238502 851375112 /nfs/dbraw/zinc/37/51/12/851375112.db2.gz DIPMONACCJOGEX-BJKOFHAPSA-N 1 3 391.559 3.938 20 0 GHADHO CCOc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cc(Br)c1OC ZINC000517550076 852107096 /nfs/dbraw/zinc/10/70/96/852107096.db2.gz RDOQBKOGQMVATL-UHFFFAOYSA-N 1 3 397.357 3.963 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc(-n2ccnn2)cc1 ZINC000507509575 852989116 /nfs/dbraw/zinc/98/91/16/852989116.db2.gz LKQPIAGGZNJJPV-KXHCOYLBSA-N 1 3 387.531 3.829 20 0 GHADHO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(-n2ccnn2)cc1 ZINC000507509575 852989121 /nfs/dbraw/zinc/98/91/21/852989121.db2.gz LKQPIAGGZNJJPV-KXHCOYLBSA-N 1 3 387.531 3.829 20 0 GHADHO C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(-n2ccnn2)cc1 ZINC000507509575 852989127 /nfs/dbraw/zinc/98/91/27/852989127.db2.gz LKQPIAGGZNJJPV-KXHCOYLBSA-N 1 3 387.531 3.829 20 0 GHADHO COc1ccc(C[NH+]2CCC(CCCN3CCOCC3)CC2)c(Cl)c1OC ZINC000507705510 853205706 /nfs/dbraw/zinc/20/57/06/853205706.db2.gz FVJHMWNYKACIRQ-UHFFFAOYSA-N 1 3 396.959 3.682 20 0 GHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4CN(Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000439143909 853339645 /nfs/dbraw/zinc/33/96/45/853339645.db2.gz VITMBNULHLOKBL-YMPZKCBVSA-N 1 3 393.579 3.577 20 0 GHADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415811449 853582500 /nfs/dbraw/zinc/58/25/00/853582500.db2.gz XQTPYNHZMZARFQ-KRWDZBQOSA-N 1 3 396.963 3.650 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(F)c1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414998569 853650821 /nfs/dbraw/zinc/65/08/21/853650821.db2.gz IFTKXFIQYSXPNF-LDBYXDLTSA-N 1 3 387.474 3.665 20 0 GHADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000441325187 854110616 /nfs/dbraw/zinc/11/06/16/854110616.db2.gz BSWZBPAICFVDMT-QGZVFWFLSA-N 1 3 382.346 3.584 20 0 GHADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000441325187 854110617 /nfs/dbraw/zinc/11/06/17/854110617.db2.gz BSWZBPAICFVDMT-QGZVFWFLSA-N 1 3 382.346 3.584 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](N(C2CC2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001168389784 854834683 /nfs/dbraw/zinc/83/46/83/854834683.db2.gz WFBMKKJGFJNTJT-HXUWFJFHSA-N 1 3 377.573 3.725 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000482108172 862710404 /nfs/dbraw/zinc/71/04/04/862710404.db2.gz YNWZYUPKCBDRFK-KXBFYZLASA-N 1 3 388.474 3.941 20 0 GHADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000573121457 855852093 /nfs/dbraw/zinc/85/20/93/855852093.db2.gz DDOYWBFUMRDRKE-GHTZIAJQSA-N 1 3 393.531 3.687 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000140320560 856026682 /nfs/dbraw/zinc/02/66/82/856026682.db2.gz UOMXBXJJIHDYGW-UHFFFAOYSA-N 1 3 388.600 3.724 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000591571125 856156867 /nfs/dbraw/zinc/15/68/67/856156867.db2.gz CGFOOLHIAFIRLG-DHIUTWEWSA-N 1 3 398.595 3.729 20 0 GHADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536486448 856220808 /nfs/dbraw/zinc/22/08/08/856220808.db2.gz RMPSLYPIQYVYFY-OAQYLSRUSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536486448 856220818 /nfs/dbraw/zinc/22/08/18/856220818.db2.gz RMPSLYPIQYVYFY-OAQYLSRUSA-N 1 3 383.580 3.622 20 0 GHADHO CCCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000195426176 856397832 /nfs/dbraw/zinc/39/78/32/856397832.db2.gz UILCQIULNVASHJ-HSZRJFAPSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508905500 856586406 /nfs/dbraw/zinc/58/64/06/856586406.db2.gz LKNNCSAHNSVBKU-REWPJTCUSA-N 1 3 394.563 3.595 20 0 GHADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658167689 856906580 /nfs/dbraw/zinc/90/65/80/856906580.db2.gz SZAJIBFTYCPVGI-LJQANCHMSA-N 1 3 380.536 3.609 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1ccc3c(c1)OCO3)c1ccccc1O2 ZINC000574108961 857248457 /nfs/dbraw/zinc/24/84/57/857248457.db2.gz CGIJMTDFZQDQGW-LJQANCHMSA-N 1 3 380.488 3.536 20 0 GHADHO COc1cc(OC)c(C2CC[NH+](CC[C@@H]3CCCCN3C)CC2)c(OC)c1 ZINC000675487885 857449912 /nfs/dbraw/zinc/44/99/12/857449912.db2.gz SJEAMAAIAZIBPU-SFHVURJKSA-N 1 3 376.541 3.766 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccsc1 ZINC000061185399 857501172 /nfs/dbraw/zinc/50/11/72/857501172.db2.gz GTFKCGZKOINPFT-GOSISDBHSA-N 1 3 380.602 3.695 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000675750047 857587028 /nfs/dbraw/zinc/58/70/28/857587028.db2.gz KYRUKRYULUAZNT-RBUKOAKNSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000675750047 857587038 /nfs/dbraw/zinc/58/70/38/857587038.db2.gz KYRUKRYULUAZNT-RBUKOAKNSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000521167554 857697517 /nfs/dbraw/zinc/69/75/17/857697517.db2.gz SQHRBTQZHNYNPJ-GOSISDBHSA-N 1 3 385.596 3.755 20 0 GHADHO C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)Cc1ccccc1 ZINC000521175682 857705000 /nfs/dbraw/zinc/70/50/00/857705000.db2.gz ODYQLHUPKOFGOV-FQEVSTJZSA-N 1 3 394.563 3.602 20 0 GHADHO C[C@](CO)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000478177351 857773661 /nfs/dbraw/zinc/77/36/61/857773661.db2.gz OHFFMUTVRXPXHW-ZYQDXHPFSA-N 1 3 378.560 3.728 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000486476159 857774469 /nfs/dbraw/zinc/77/44/69/857774469.db2.gz ZELBHDNSXFOUPY-IFMALSPDSA-N 1 3 398.595 3.571 20 0 GHADHO C[C@@H](CCN1CCC2(CCC(O)CC2)CC1)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451151125 857813695 /nfs/dbraw/zinc/81/36/95/857813695.db2.gz AJWSYSSYFYOHFT-FQEVSTJZSA-N 1 3 392.628 3.799 20 0 GHADHO CN(CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000065541945 857814967 /nfs/dbraw/zinc/81/49/67/857814967.db2.gz KOQLJTDMLRPFIM-UHFFFAOYSA-N 1 3 394.563 3.604 20 0 GHADHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000665285350 857902064 /nfs/dbraw/zinc/90/20/64/857902064.db2.gz KRGMMVZIYLPFKH-GFCCVEGCSA-N 1 3 390.330 3.774 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cc4ccc(F)cc4[nH]3)cc2)CC1 ZINC000486703356 858009623 /nfs/dbraw/zinc/00/96/23/858009623.db2.gz RQVVAWUQFNWBBV-UHFFFAOYSA-N 1 3 380.511 3.734 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)N(C)C)cc1 ZINC000521509743 858063130 /nfs/dbraw/zinc/06/31/30/858063130.db2.gz YFOKJSZOYPWXDI-HSZRJFAPSA-N 1 3 394.563 3.693 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521602194 858147959 /nfs/dbraw/zinc/14/79/59/858147959.db2.gz XEXSLBRAFBPVJT-SBHAEUEKSA-N 1 3 389.559 3.522 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142757 858298599 /nfs/dbraw/zinc/29/85/99/858298599.db2.gz YURRUGAUTHUQQF-JBACZVJFSA-N 1 3 398.551 3.625 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142757 858298604 /nfs/dbraw/zinc/29/86/04/858298604.db2.gz YURRUGAUTHUQQF-JBACZVJFSA-N 1 3 398.551 3.625 20 0 GHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000466740898 859423217 /nfs/dbraw/zinc/42/32/17/859423217.db2.gz IWRNSZZGUKJHEF-UHFFFAOYSA-N 1 3 388.508 3.542 20 0 GHADHO COc1ccc2ccccc2c1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657593641 859452384 /nfs/dbraw/zinc/45/23/84/859452384.db2.gz AYMVWKBHNXCJJC-OAQYLSRUSA-N 1 3 376.500 3.705 20 0 GHADHO COc1ccc2ccccc2c1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657593641 859452390 /nfs/dbraw/zinc/45/23/90/859452390.db2.gz AYMVWKBHNXCJJC-OAQYLSRUSA-N 1 3 376.500 3.705 20 0 GHADHO F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@@H]1CN(Cc3ccccc3)CC13CCC3)OCCO2 ZINC000895448232 859491251 /nfs/dbraw/zinc/49/12/51/859491251.db2.gz ABHUFJIPBPFRCV-NJDAHSKKSA-N 1 3 388.527 3.512 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000764714299 859578669 /nfs/dbraw/zinc/57/86/69/859578669.db2.gz DUCUJEDUWKYORM-SIKLNZKXSA-N 1 3 377.532 3.956 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000764714299 859578678 /nfs/dbraw/zinc/57/86/78/859578678.db2.gz DUCUJEDUWKYORM-SIKLNZKXSA-N 1 3 377.532 3.956 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000764716191 859579579 /nfs/dbraw/zinc/57/95/79/859579579.db2.gz UZTRHRDNTQFWHM-XXBNENTESA-N 1 3 377.532 3.814 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000764716191 859579583 /nfs/dbraw/zinc/57/95/83/859579583.db2.gz UZTRHRDNTQFWHM-XXBNENTESA-N 1 3 377.532 3.814 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCO1 ZINC000544361750 859679931 /nfs/dbraw/zinc/67/99/31/859679931.db2.gz ZVNYUPXWTGPTFO-PXNSSMCTSA-N 1 3 399.501 3.765 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCO1 ZINC000544361752 859680278 /nfs/dbraw/zinc/68/02/78/859680278.db2.gz ZVNYUPXWTGPTFO-YLJYHZDGSA-N 1 3 399.501 3.765 20 0 GHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000532216132 881480542 /nfs/dbraw/zinc/48/05/42/881480542.db2.gz JAYJJFHEYMKBJD-KRWDZBQOSA-N 1 3 381.520 3.753 20 0 GHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000474468067 860149576 /nfs/dbraw/zinc/14/95/76/860149576.db2.gz HBIFMOXQCHIVQE-PMACEKPBSA-N 1 3 381.564 3.724 20 0 GHADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000116157755 860478027 /nfs/dbraw/zinc/47/80/27/860478027.db2.gz ICWPMKPAOLRKOG-QFIPXVFZSA-N 1 3 397.538 3.628 20 0 GHADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000116157755 860478032 /nfs/dbraw/zinc/47/80/32/860478032.db2.gz ICWPMKPAOLRKOG-QFIPXVFZSA-N 1 3 397.538 3.628 20 0 GHADHO CN(C)C[C@H](NC(=O)Nc1ccccc1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000904623264 860523521 /nfs/dbraw/zinc/52/35/21/860523521.db2.gz BTQKFIHGFUNAOE-KRWDZBQOSA-N 1 3 380.414 3.589 20 0 GHADHO CN(C)C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000673611556 860527204 /nfs/dbraw/zinc/52/72/04/860527204.db2.gz OWIQWQMJMAVDBA-HSZRJFAPSA-N 1 3 385.527 3.693 20 0 GHADHO CCN1CCN(c2ccc(-c3nc(-c4ccc(C[NH+](C)C)cc4)no3)cc2)CC1 ZINC000904627929 860536272 /nfs/dbraw/zinc/53/62/72/860536272.db2.gz ZBBYOVQUDQOPDU-UHFFFAOYSA-N 1 3 391.519 3.607 20 0 GHADHO CN(CCC[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168556253 860605245 /nfs/dbraw/zinc/60/52/45/860605245.db2.gz AOCPWKCVMAQPRC-CVEARBPZSA-N 1 3 393.494 3.735 20 0 GHADHO CN(CCC[NH+]1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168556254 860605376 /nfs/dbraw/zinc/60/53/76/860605376.db2.gz AOCPWKCVMAQPRC-HOTGVXAUSA-N 1 3 393.494 3.735 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000125398254 860657555 /nfs/dbraw/zinc/65/75/55/860657555.db2.gz OKMIMXSYIRNCID-FQEVSTJZSA-N 1 3 394.563 3.554 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccsc1 ZINC000156257245 860729538 /nfs/dbraw/zinc/72/95/38/860729538.db2.gz CZOYTBMGPAISGS-VQTJNVASSA-N 1 3 392.613 3.791 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603883 881577640 /nfs/dbraw/zinc/57/76/40/881577640.db2.gz GAIVJOVKRAARRH-VXKWHMMOSA-N 1 3 387.568 3.867 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603883 881577652 /nfs/dbraw/zinc/57/76/52/881577652.db2.gz GAIVJOVKRAARRH-VXKWHMMOSA-N 1 3 387.568 3.867 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605524 881580820 /nfs/dbraw/zinc/58/08/20/881580820.db2.gz CNKYEQQULKPRLW-ZWKOTPCHSA-N 1 3 386.367 3.959 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605524 881580840 /nfs/dbraw/zinc/58/08/40/881580840.db2.gz CNKYEQQULKPRLW-ZWKOTPCHSA-N 1 3 386.367 3.959 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C3CC(OC(C)(C)C)C3)C2)ccn1 ZINC000856604577 881581959 /nfs/dbraw/zinc/58/19/59/881581959.db2.gz PCODBWIDPZNMPK-CKHPTIKVSA-N 1 3 375.557 3.721 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C3CC(OC(C)(C)C)C3)C2)ccn1 ZINC000856604577 881581966 /nfs/dbraw/zinc/58/19/66/881581966.db2.gz PCODBWIDPZNMPK-CKHPTIKVSA-N 1 3 375.557 3.721 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000481313139 861044898 /nfs/dbraw/zinc/04/48/98/861044898.db2.gz JFTROCIDRCVLNC-NRFANRHFSA-N 1 3 393.575 3.965 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552292 863298661 /nfs/dbraw/zinc/29/86/61/863298661.db2.gz RRNMCZPKTFWTSY-MJGOQNOKSA-N 1 3 399.510 3.856 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000606640268 863742352 /nfs/dbraw/zinc/74/23/52/863742352.db2.gz PFTFMMSOSBYDSV-HXUWFJFHSA-N 1 3 380.621 3.795 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000606640268 863742357 /nfs/dbraw/zinc/74/23/57/863742357.db2.gz PFTFMMSOSBYDSV-HXUWFJFHSA-N 1 3 380.621 3.795 20 0 GHADHO O[C@H](CN1CC[C@H](C[NH+]2CCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000606902940 863926409 /nfs/dbraw/zinc/92/64/09/863926409.db2.gz GVIVURWYTMCDCD-WOJBJXKFSA-N 1 3 377.532 3.573 20 0 GHADHO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Cl)ccc1Cl ZINC000159206722 864066844 /nfs/dbraw/zinc/06/68/44/864066844.db2.gz XXRHGHHYPJTZJG-CQSZACIVSA-N 1 3 379.335 3.991 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475133771 864268682 /nfs/dbraw/zinc/26/86/82/864268682.db2.gz AWMDOFFNBXOGLA-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475133771 864268693 /nfs/dbraw/zinc/26/86/93/864268693.db2.gz AWMDOFFNBXOGLA-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C)C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000554443920 864356277 /nfs/dbraw/zinc/35/62/77/864356277.db2.gz VNRDMKILFJHVEC-VXKWHMMOSA-N 1 3 398.526 3.565 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000480275631 864385298 /nfs/dbraw/zinc/38/52/98/864385298.db2.gz DTBWKAWLQKGMMN-OFVILXPXSA-N 1 3 377.576 3.935 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000480275633 864386210 /nfs/dbraw/zinc/38/62/10/864386210.db2.gz DTBWKAWLQKGMMN-SQJMNOBHSA-N 1 3 377.576 3.935 20 0 GHADHO CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CCN(CC2CC2)CC1)Cc1ccccc1 ZINC001168362797 864526889 /nfs/dbraw/zinc/52/68/89/864526889.db2.gz JPEOSYBTAGVEJX-NRFANRHFSA-N 1 3 387.568 3.586 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4ccc(OC)cc43)cc2)CC1 ZINC000480725077 865173649 /nfs/dbraw/zinc/17/36/49/865173649.db2.gz XAKIYWPZZPYLBT-VWLOTQADSA-N 1 3 393.575 4.000 20 0 GHADHO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000480781534 865257881 /nfs/dbraw/zinc/25/78/81/865257881.db2.gz UUYLSCPPSWGGHP-OAQYLSRUSA-N 1 3 393.575 3.881 20 0 GHADHO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000156806908 865737068 /nfs/dbraw/zinc/73/70/68/865737068.db2.gz UIXNGJODUWHXKH-UHFFFAOYSA-N 1 3 385.552 3.564 20 0 GHADHO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761170 866161285 /nfs/dbraw/zinc/16/12/85/866161285.db2.gz ZJTYTZBQKLJXBU-RDJZCZTQSA-N 1 3 397.633 3.549 20 0 GHADHO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761170 866161289 /nfs/dbraw/zinc/16/12/89/866161289.db2.gz ZJTYTZBQKLJXBU-RDJZCZTQSA-N 1 3 397.633 3.549 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000729580996 866197615 /nfs/dbraw/zinc/19/76/15/866197615.db2.gz LCFDKPYOXRZUEU-QHCPKHFHSA-N 1 3 394.563 3.727 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)CC1 ZINC000153291141 866328426 /nfs/dbraw/zinc/32/84/26/866328426.db2.gz BQYXYCAIMBFWML-ZJSXRUAMSA-N 1 3 395.591 3.863 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000456322678 866436089 /nfs/dbraw/zinc/43/60/89/866436089.db2.gz DQWXHCMLLPGYLO-NRFANRHFSA-N 1 3 391.559 3.877 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1ccc3c(c1)CCO3)c1ccccc1O2 ZINC000553149669 866884572 /nfs/dbraw/zinc/88/45/72/866884572.db2.gz HBHHECPLOADSQK-OAQYLSRUSA-N 1 3 378.516 3.742 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC(N)(c2ccc(OC)cc2)CC1 ZINC001170428847 882044509 /nfs/dbraw/zinc/04/45/09/882044509.db2.gz OYLNCHOBYGYNPN-IBGZPJMESA-N 1 3 382.504 3.695 20 0 GHADHO CC1CCN([C@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c2cccs2)CC1 ZINC000479217184 867370302 /nfs/dbraw/zinc/37/03/02/867370302.db2.gz ZWCYEEQJYRBYIO-RBUKOAKNSA-N 1 3 389.540 3.519 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2OCc2ccccc2)CC1 ZINC000155606883 867977969 /nfs/dbraw/zinc/97/79/69/867977969.db2.gz DMZBTRGOFNBELX-RTWAWAEBSA-N 1 3 381.564 3.942 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC000457390332 868218924 /nfs/dbraw/zinc/21/89/24/868218924.db2.gz OHLJNSBCXDYLKQ-GOSISDBHSA-N 1 3 392.613 3.620 20 0 GHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000156913004 868499813 /nfs/dbraw/zinc/49/98/13/868499813.db2.gz KXURVIULCHTDFN-XXBNENTESA-N 1 3 379.548 3.852 20 0 GHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000156913004 868499823 /nfs/dbraw/zinc/49/98/23/868499823.db2.gz KXURVIULCHTDFN-XXBNENTESA-N 1 3 379.548 3.852 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC5(CCSCC5)C4)[C@@H]3C2)cc1 ZINC000272611436 868511918 /nfs/dbraw/zinc/51/19/18/868511918.db2.gz WIRPPEWGGVDVLH-KJJMTIBFSA-N 1 3 386.605 3.931 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)c2cccs2)CC1 ZINC000446127351 869412663 /nfs/dbraw/zinc/41/26/63/869412663.db2.gz RALCQRFVKKAPAQ-GOSISDBHSA-N 1 3 392.613 3.647 20 0 GHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818345 869846812 /nfs/dbraw/zinc/84/68/12/869846812.db2.gz WSHKWKATMZNALW-GOEBONIOSA-N 1 3 397.357 3.915 20 0 GHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818345 869846824 /nfs/dbraw/zinc/84/68/24/869846824.db2.gz WSHKWKATMZNALW-GOEBONIOSA-N 1 3 397.357 3.915 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000462798377 870114782 /nfs/dbraw/zinc/11/47/82/870114782.db2.gz KVFOYJBVPCYATB-WXFUMESZSA-N 1 3 385.596 3.509 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(OC(F)F)c1 ZINC000248438570 870423056 /nfs/dbraw/zinc/42/30/56/870423056.db2.gz HVKIZZBKBCAJMB-HNAYVOBHSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(OC(F)F)c1 ZINC000248438570 870423064 /nfs/dbraw/zinc/42/30/64/870423064.db2.gz HVKIZZBKBCAJMB-HNAYVOBHSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(Br)c1 ZINC000248458831 870434382 /nfs/dbraw/zinc/43/43/82/870434382.db2.gz VETROZUYYWFJQB-MGPUTAFESA-N 1 3 389.337 3.867 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Br)c1 ZINC000248458831 870434394 /nfs/dbraw/zinc/43/43/94/870434394.db2.gz VETROZUYYWFJQB-MGPUTAFESA-N 1 3 389.337 3.867 20 0 GHADHO Cc1ncc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1-c1ccccc1 ZINC000538763375 870604845 /nfs/dbraw/zinc/60/48/45/870604845.db2.gz ADAAAYDUTIFPNR-BGYRXZFFSA-N 1 3 396.579 3.892 20 0 GHADHO Cc1ncc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1-c1ccccc1 ZINC000538763375 870604858 /nfs/dbraw/zinc/60/48/58/870604858.db2.gz ADAAAYDUTIFPNR-BGYRXZFFSA-N 1 3 396.579 3.892 20 0 GHADHO CCN1CC[C@@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000248842752 870660193 /nfs/dbraw/zinc/66/01/93/870660193.db2.gz OJSYAAYWXHOVAL-KXBFYZLASA-N 1 3 381.358 3.848 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H](CCCO)c2ccccc2)CC1 ZINC000088728462 870915894 /nfs/dbraw/zinc/91/58/94/870915894.db2.gz QRMKDDXNPPDKKG-QHCPKHFHSA-N 1 3 381.564 3.822 20 0 GHADHO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c1C ZINC000090028875 871090563 /nfs/dbraw/zinc/09/05/63/871090563.db2.gz UPHRQHJZGWZKDC-HXUWFJFHSA-N 1 3 379.548 3.980 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000090028583 871090600 /nfs/dbraw/zinc/09/06/00/871090600.db2.gz MKNICHWRZKPZLX-HSZRJFAPSA-N 1 3 377.532 3.679 20 0 GHADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000539059136 871195931 /nfs/dbraw/zinc/19/59/31/871195931.db2.gz CKASGWPHRYNSMO-HSALFYBXSA-N 1 3 378.944 3.830 20 0 GHADHO COc1cccc(C[C@H](NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc2)c1 ZINC000539060285 871201332 /nfs/dbraw/zinc/20/13/32/871201332.db2.gz TYMVAVWOUUWNJF-SDHOMARFSA-N 1 3 394.559 3.946 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC001193648669 871215080 /nfs/dbraw/zinc/21/50/80/871215080.db2.gz HSNUSUXUHLANCW-RXVVDRJESA-N 1 3 390.568 3.869 20 0 GHADHO C[C@H]1[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241640 871240234 /nfs/dbraw/zinc/24/02/34/871240234.db2.gz CWWVZCUOKAOLEC-JDBUVZGPSA-N 1 3 391.559 3.819 20 0 GHADHO C[C@H]1[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241640 871240249 /nfs/dbraw/zinc/24/02/49/871240249.db2.gz CWWVZCUOKAOLEC-JDBUVZGPSA-N 1 3 391.559 3.819 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716732269 871283690 /nfs/dbraw/zinc/28/36/90/871283690.db2.gz JXESGVCMARACBK-BQJUDKOJSA-N 1 3 385.552 3.639 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716732269 871283706 /nfs/dbraw/zinc/28/37/06/871283706.db2.gz JXESGVCMARACBK-BQJUDKOJSA-N 1 3 385.552 3.639 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716732269 871283718 /nfs/dbraw/zinc/28/37/18/871283718.db2.gz JXESGVCMARACBK-BQJUDKOJSA-N 1 3 385.552 3.639 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(OCC2CC2)cc1 ZINC000191580584 882523327 /nfs/dbraw/zinc/52/33/27/882523327.db2.gz SOCGGOLGPLFPMW-QHCPKHFHSA-N 1 3 380.532 3.722 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(OCC2CC2)cc1 ZINC000191580584 882523342 /nfs/dbraw/zinc/52/33/42/882523342.db2.gz SOCGGOLGPLFPMW-QHCPKHFHSA-N 1 3 380.532 3.722 20 0 GHADHO CC[C@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000539296075 871658978 /nfs/dbraw/zinc/65/89/78/871658978.db2.gz XTKCPIUOVXPUKO-JQVVWYNYSA-N 1 3 384.568 3.670 20 0 GHADHO CC[C@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000539296075 871658984 /nfs/dbraw/zinc/65/89/84/871658984.db2.gz XTKCPIUOVXPUKO-JQVVWYNYSA-N 1 3 384.568 3.670 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@H]3CCCC[C@H]3S(C)(=O)=O)cc2)C1 ZINC000539307272 871702424 /nfs/dbraw/zinc/70/24/24/871702424.db2.gz RQUGAJVZDVKGBA-GKJHBJHPSA-N 1 3 392.609 3.610 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CCCC[C@H]3S(C)(=O)=O)cc2)C1 ZINC000539307272 871702435 /nfs/dbraw/zinc/70/24/35/871702435.db2.gz RQUGAJVZDVKGBA-GKJHBJHPSA-N 1 3 392.609 3.610 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC2CCN(C3CC3)CC2)cc1 ZINC000447562441 871869074 /nfs/dbraw/zinc/86/90/74/871869074.db2.gz CJURPSWFIRALMD-FGZHOGPDSA-N 1 3 390.593 3.544 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc(NC(N)=O)cc2)ccc1OC ZINC000182311865 872172724 /nfs/dbraw/zinc/17/27/24/872172724.db2.gz ROIRNCWLPFCQOG-INIZCTEOSA-N 1 3 384.524 3.878 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000763529854 872425070 /nfs/dbraw/zinc/42/50/70/872425070.db2.gz JDEMDFGXMPXPFX-YADARESESA-N 1 3 399.554 3.960 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000093844241 872448935 /nfs/dbraw/zinc/44/89/35/872448935.db2.gz IHVLGHIWCPAATH-KDURUIRLSA-N 1 3 382.552 3.788 20 0 GHADHO C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000182624630 872619056 /nfs/dbraw/zinc/61/90/56/872619056.db2.gz WPVHVUCLIQSCSA-LJQANCHMSA-N 1 3 382.552 3.552 20 0 GHADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@H]1C ZINC000619428823 872640894 /nfs/dbraw/zinc/64/08/94/872640894.db2.gz XMAROVHTUGJUSI-FXPVULCDSA-N 1 3 384.564 3.855 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000540983968 872673947 /nfs/dbraw/zinc/67/39/47/872673947.db2.gz NKLUYBKMJQBGLD-GCJKJVERSA-N 1 3 397.563 3.696 20 0 GHADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc(C)ccc1C ZINC000527727936 873503991 /nfs/dbraw/zinc/50/39/91/873503991.db2.gz SGNILOWIQIPMDM-QFIPXVFZSA-N 1 3 386.584 3.612 20 0 GHADHO O=C(CN[C@H](c1cccs1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000541580179 873866897 /nfs/dbraw/zinc/86/68/97/873866897.db2.gz VFCGSUVAAMVVPA-QFIPXVFZSA-N 1 3 383.561 3.701 20 0 GHADHO C[C@H](CN1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449037794 874381750 /nfs/dbraw/zinc/38/17/50/874381750.db2.gz OZHADVDLGYUOFH-LJQANCHMSA-N 1 3 392.609 3.782 20 0 GHADHO c1cc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)n(C2CCCC2)n1 ZINC000449086764 874442251 /nfs/dbraw/zinc/44/22/51/874442251.db2.gz CGNZJTOEGIZBCE-UHFFFAOYSA-N 1 3 381.568 3.690 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccnc1C(F)(F)F ZINC000528397893 874515092 /nfs/dbraw/zinc/51/50/92/874515092.db2.gz SDXAZZNSHFQACW-UHFFFAOYSA-N 1 3 398.517 3.729 20 0 GHADHO COc1cccc2c(C[NH+]3CCC(C)(CN4CCN(C)CC4)CC3)cccc12 ZINC000449234275 874625872 /nfs/dbraw/zinc/62/58/72/874625872.db2.gz BCSVGHAEBZFNPA-UHFFFAOYSA-N 1 3 381.564 3.698 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H](C)c1ccccc1 ZINC000542136234 875007469 /nfs/dbraw/zinc/00/74/69/875007469.db2.gz ZXXJTHPFAWHEKS-UXHICEINSA-N 1 3 379.548 3.794 20 0 GHADHO Cn1nccc1[C@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449596157 875100108 /nfs/dbraw/zinc/10/01/08/875100108.db2.gz WYMOMJOOJNZZEB-UYAOXDASSA-N 1 3 376.589 3.909 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000105441653 875297579 /nfs/dbraw/zinc/29/75/79/875297579.db2.gz TXGVCSBZGGYRMH-KRWDZBQOSA-N 1 3 398.576 3.920 20 0 GHADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000542494437 882961828 /nfs/dbraw/zinc/96/18/28/882961828.db2.gz KAIGSUSLKAAAQV-RUZDIDTESA-N 1 3 395.591 3.998 20 0 GHADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000542494437 882961836 /nfs/dbraw/zinc/96/18/36/882961836.db2.gz KAIGSUSLKAAAQV-RUZDIDTESA-N 1 3 395.591 3.998 20 0 GHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000450191845 876056450 /nfs/dbraw/zinc/05/64/50/876056450.db2.gz HMQOPLKEKVBKRI-GCJKJVERSA-N 1 3 384.568 3.520 20 0 GHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450191845 876056465 /nfs/dbraw/zinc/05/64/65/876056465.db2.gz HMQOPLKEKVBKRI-GCJKJVERSA-N 1 3 384.568 3.520 20 0 GHADHO Fc1ccc(CCN2CCC([NH2+]C[C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000192925554 883048766 /nfs/dbraw/zinc/04/87/66/883048766.db2.gz OZELFRAFBNSIOW-HSZRJFAPSA-N 1 3 395.566 3.944 20 0 GHADHO CN(C)Cc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000858426422 883090048 /nfs/dbraw/zinc/09/00/48/883090048.db2.gz QFOWLHKHKRFKNG-NRFANRHFSA-N 1 3 377.532 3.989 20 0 GHADHO CN(C)Cc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000858426422 883090061 /nfs/dbraw/zinc/09/00/61/883090061.db2.gz QFOWLHKHKRFKNG-NRFANRHFSA-N 1 3 377.532 3.989 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000788246864 877948483 /nfs/dbraw/zinc/94/84/83/877948483.db2.gz GJIOIBVPPDWLBH-BWPNAZKDSA-N 1 3 375.557 3.583 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000788246864 877948489 /nfs/dbraw/zinc/94/84/89/877948489.db2.gz GJIOIBVPPDWLBH-BWPNAZKDSA-N 1 3 375.557 3.583 20 0 GHADHO CC[N@H+](CCC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1)CC1CC1 ZINC000537848531 878389150 /nfs/dbraw/zinc/38/91/50/878389150.db2.gz GXCUQLNDUBCAKD-HXUWFJFHSA-N 1 3 385.596 3.868 20 0 GHADHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1)CC1CC1 ZINC000537848531 878389162 /nfs/dbraw/zinc/38/91/62/878389162.db2.gz GXCUQLNDUBCAKD-HXUWFJFHSA-N 1 3 385.596 3.868 20 0 GHADHO Cc1cccc(N2CCN(CCC(=O)Nc3cc(C[NH+](C)C)ccc3C)CC2)c1 ZINC000177303904 878640449 /nfs/dbraw/zinc/64/04/49/878640449.db2.gz CWQQRVDWXSEIGN-UHFFFAOYSA-N 1 3 394.563 3.516 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000246097321 878971476 /nfs/dbraw/zinc/97/14/76/878971476.db2.gz XKCTXJKRUSZXBP-OFNKIYASSA-N 1 3 395.522 3.690 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000246097321 878971483 /nfs/dbraw/zinc/97/14/83/878971483.db2.gz XKCTXJKRUSZXBP-OFNKIYASSA-N 1 3 395.522 3.690 20 0 GHADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(I)cc1 ZINC000178257200 879060780 /nfs/dbraw/zinc/06/07/80/879060780.db2.gz BLVCNUBJWUNPBQ-ZDUSSCGKSA-N 1 3 384.305 3.816 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)C1 ZINC000643083065 912454025 /nfs/dbraw/zinc/45/40/25/912454025.db2.gz PXGYTOPUESNEGE-FYYLOGMGSA-N 1 3 393.531 3.657 20 0 GHADHO CC1(C)CN(C[C@H]2CN(C3CC3)C(=O)O2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045483 879472459 /nfs/dbraw/zinc/47/24/59/879472459.db2.gz ZHIRSAQXWFAUIF-FCHUYYIVSA-N 1 3 397.563 3.592 20 0 GHADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000854222768 879640552 /nfs/dbraw/zinc/64/05/52/879640552.db2.gz MBDKCAVSCJYAEB-MDNUFGMLSA-N 1 3 393.531 3.775 20 0 GHADHO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000461425906 879785161 /nfs/dbraw/zinc/78/51/61/879785161.db2.gz NUEZVUWPRSLAAN-XUZZJYLKSA-N 1 3 397.607 3.664 20 0 GHADHO Cc1c([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000246852784 879827222 /nfs/dbraw/zinc/82/72/22/879827222.db2.gz BMLULSNDCXNUES-BZSNNMDCSA-N 1 3 388.531 3.860 20 0 GHADHO C[C@H](CN[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000531700613 880327097 /nfs/dbraw/zinc/32/70/97/880327097.db2.gz LPGPMECRPLQRKY-HUUCEWRRSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CN1CCCC1 ZINC000531700613 880327107 /nfs/dbraw/zinc/32/71/07/880327107.db2.gz LPGPMECRPLQRKY-HUUCEWRRSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[N@@H+]1CCCC[C@H]1C ZINC000531932982 880786663 /nfs/dbraw/zinc/78/66/63/880786663.db2.gz GACJPCSORQBHPU-ZWKOTPCHSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[N@H+]1CCCC[C@H]1C ZINC000531932982 880786666 /nfs/dbraw/zinc/78/66/66/880786666.db2.gz GACJPCSORQBHPU-ZWKOTPCHSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN1CCCC[C@H]1C ZINC000531932982 880786675 /nfs/dbraw/zinc/78/66/75/880786675.db2.gz GACJPCSORQBHPU-ZWKOTPCHSA-N 1 3 379.976 3.931 20 0 GHADHO CC[C@@H](CN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000531941265 880799666 /nfs/dbraw/zinc/79/96/66/880799666.db2.gz YEJQWWZYVRCDJP-HOCLYGCPSA-N 1 3 387.446 3.766 20 0 GHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(F)c(I)c1 ZINC000453345405 880817227 /nfs/dbraw/zinc/81/72/27/880817227.db2.gz JYRCBQRVXCUBFP-HLVVYCRESA-N 1 3 388.268 3.706 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310154 912684997 /nfs/dbraw/zinc/68/49/97/912684997.db2.gz XBWXEXAIILXFBQ-JKSUJKDBSA-N 1 3 385.533 3.642 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310154 912685011 /nfs/dbraw/zinc/68/50/11/912685011.db2.gz XBWXEXAIILXFBQ-JKSUJKDBSA-N 1 3 385.533 3.642 20 0 GHADHO Cc1cccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1Cl ZINC001211910469 883304467 /nfs/dbraw/zinc/30/44/67/883304467.db2.gz DLVXAULVFPOKLG-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1cccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1Cl ZINC001211910469 883304481 /nfs/dbraw/zinc/30/44/81/883304481.db2.gz DLVXAULVFPOKLG-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)N2CCCC2)cc1 ZINC000194685363 883894488 /nfs/dbraw/zinc/89/44/88/883894488.db2.gz MJXLSDNOXUXQIL-OAQYLSRUSA-N 1 3 386.584 3.694 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000556218182 884169192 /nfs/dbraw/zinc/16/91/92/884169192.db2.gz QMYZAMZTHFEJSK-GBXCKJPGSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000556218182 884169201 /nfs/dbraw/zinc/16/92/01/884169201.db2.gz QMYZAMZTHFEJSK-GBXCKJPGSA-N 1 3 379.548 3.523 20 0 GHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233500 884184702 /nfs/dbraw/zinc/18/47/02/884184702.db2.gz PWVPDALHJXLQHF-FDFHNCONSA-N 1 3 386.580 3.708 20 0 GHADHO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000495109444 884560506 /nfs/dbraw/zinc/56/05/06/884560506.db2.gz PKYZANNAONYJJI-DXIQSLLYSA-N 1 3 396.531 3.627 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCCCCCNC(=O)OC(C)(C)C ZINC001168284964 884564100 /nfs/dbraw/zinc/56/41/00/884564100.db2.gz PTCHBAORTSULCG-AQNXPRMDSA-N 1 3 397.604 3.645 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@@H](C)C1 ZINC000249451693 912839423 /nfs/dbraw/zinc/83/94/23/912839423.db2.gz OOKCLKMBYXCODO-LAUBAEHRSA-N 1 3 386.536 3.636 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC001130757376 885042195 /nfs/dbraw/zinc/04/21/95/885042195.db2.gz CPSARZIFHXEOLP-MYZZLAAOSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC001130757376 885042209 /nfs/dbraw/zinc/04/22/09/885042209.db2.gz CPSARZIFHXEOLP-MYZZLAAOSA-N 1 3 396.453 3.877 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccc(F)cc1 ZINC000806929741 885094847 /nfs/dbraw/zinc/09/48/47/885094847.db2.gz CJWAGYQPJHQBST-XVAXZDLZSA-N 1 3 390.547 3.525 20 0 GHADHO Cc1ccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)s1 ZINC000130904159 885322030 /nfs/dbraw/zinc/32/20/30/885322030.db2.gz TVOJGWOHECFJBH-UHFFFAOYSA-N 1 3 385.577 3.517 20 0 GHADHO Cc1cc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)ccc1F ZINC000130905093 885324679 /nfs/dbraw/zinc/32/46/79/885324679.db2.gz FSAMRYQYZSZDLS-UHFFFAOYSA-N 1 3 397.538 3.594 20 0 GHADHO COC(=N)c1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170527918 885537868 /nfs/dbraw/zinc/53/78/68/885537868.db2.gz DIFLWVGSQYQFDX-UHFFFAOYSA-N 1 3 376.504 3.568 20 0 GHADHO CC(=O)Nc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1F ZINC001170527788 885564024 /nfs/dbraw/zinc/56/40/24/885564024.db2.gz CDUUXJHKPMHQQD-UHFFFAOYSA-N 1 3 394.494 3.694 20 0 GHADHO C[C@@H]1[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000807620929 885576672 /nfs/dbraw/zinc/57/66/72/885576672.db2.gz SYUMOSVBUXXNJC-AUSIDOKSSA-N 1 3 394.563 3.553 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476386 885732184 /nfs/dbraw/zinc/73/21/84/885732184.db2.gz XUKVRFLNXXCAAB-NZQKXSOJSA-N 1 3 387.612 3.550 20 0 GHADHO C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495444920 885829797 /nfs/dbraw/zinc/82/97/97/885829797.db2.gz OBJVOSSSOOHYQN-NVXDSCFRSA-N 1 3 391.559 3.676 20 0 GHADHO C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444920 885829807 /nfs/dbraw/zinc/82/98/07/885829807.db2.gz OBJVOSSSOOHYQN-NVXDSCFRSA-N 1 3 391.559 3.676 20 0 GHADHO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCc2ccccc21 ZINC000499024296 886394902 /nfs/dbraw/zinc/39/49/02/886394902.db2.gz NCOIWJDIAJKORG-QFIPXVFZSA-N 1 3 395.572 3.793 20 0 GHADHO c1c(CC[NH2+][C@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000556892470 886520808 /nfs/dbraw/zinc/52/08/08/886520808.db2.gz NSCBVUNWMKBHJK-NNWRFLSQSA-N 1 3 396.604 3.812 20 0 GHADHO Cc1nc(CCN(C)[C@@H]2CCC[N@H+](CCc3csc(C)n3)CC2)cs1 ZINC000132246277 887637317 /nfs/dbraw/zinc/63/73/17/887637317.db2.gz BJFRJGLELKIHDA-LJQANCHMSA-N 1 3 378.611 3.788 20 0 GHADHO Cc1nc(CCN(C)[C@@H]2CCC[N@@H+](CCc3csc(C)n3)CC2)cs1 ZINC000132246277 887637319 /nfs/dbraw/zinc/63/73/19/887637319.db2.gz BJFRJGLELKIHDA-LJQANCHMSA-N 1 3 378.611 3.788 20 0 GHADHO CN1CC[NH+](CC2CCN(Cc3ccc(SC(F)(F)F)cc3)CC2)CC1 ZINC000809736669 887719342 /nfs/dbraw/zinc/71/93/42/887719342.db2.gz DPZHLWJHCFSVGN-UHFFFAOYSA-N 1 3 387.515 3.758 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001184402914 913186299 /nfs/dbraw/zinc/18/62/99/913186299.db2.gz PLMULPJXEQQNFJ-IBGZPJMESA-N 1 3 391.987 3.885 20 0 GHADHO O=c1[nH]ccc2oc(CNCCCOC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000865483736 888380123 /nfs/dbraw/zinc/38/01/23/888380123.db2.gz VZVKFDVCKNBBTG-UHFFFAOYSA-N 1 3 395.503 3.694 20 0 GHADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137835 888650113 /nfs/dbraw/zinc/65/01/13/888650113.db2.gz SNWYGKLZWSVWCC-QUCCMNQESA-N 1 3 379.504 3.816 20 0 GHADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137835 888650121 /nfs/dbraw/zinc/65/01/21/888650121.db2.gz SNWYGKLZWSVWCC-QUCCMNQESA-N 1 3 379.504 3.816 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)N(C)C)cc1 ZINC000868175531 889334459 /nfs/dbraw/zinc/33/44/59/889334459.db2.gz GUAIDOVQKQHEMW-XUVXKRRUSA-N 1 3 384.549 3.648 20 0 GHADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000063917662 889798892 /nfs/dbraw/zinc/79/88/92/889798892.db2.gz VAFMPMOLHPHKEY-LJQANCHMSA-N 1 3 387.524 3.701 20 0 GHADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000125819955 890177640 /nfs/dbraw/zinc/17/76/40/890177640.db2.gz PAURRHFQDGHYLR-QXAKKESOSA-N 1 3 399.501 3.791 20 0 GHADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000125819955 890177645 /nfs/dbraw/zinc/17/76/45/890177645.db2.gz PAURRHFQDGHYLR-QXAKKESOSA-N 1 3 399.501 3.791 20 0 GHADHO C[C@@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccc(-n2cnnn2)cc1 ZINC000126481527 890555993 /nfs/dbraw/zinc/55/59/93/890555993.db2.gz UZERVERHIKWKRY-LJQANCHMSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCN3C3CCOCC3)cc2)C1 ZINC000247312473 891365348 /nfs/dbraw/zinc/36/53/48/891365348.db2.gz RDVIJDSCQYPKPS-XMSQKQJNSA-N 1 3 385.552 3.500 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCN3C3CCOCC3)cc2)C1 ZINC000247312473 891365361 /nfs/dbraw/zinc/36/53/61/891365361.db2.gz RDVIJDSCQYPKPS-XMSQKQJNSA-N 1 3 385.552 3.500 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000497399001 891495798 /nfs/dbraw/zinc/49/57/98/891495798.db2.gz KZAYHBCXXAMZHA-GOTSBHOMSA-N 1 3 379.548 3.745 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000497399001 891495801 /nfs/dbraw/zinc/49/58/01/891495801.db2.gz KZAYHBCXXAMZHA-GOTSBHOMSA-N 1 3 379.548 3.745 20 0 GHADHO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(-n3cc(CN)nn3)c1)CCS2 ZINC000873245198 891546983 /nfs/dbraw/zinc/54/69/83/891546983.db2.gz XTBDJMUBCNJGHT-HXUWFJFHSA-N 1 3 379.533 3.670 20 0 GHADHO CC[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cccc(Cl)c1F ZINC000161579627 891758804 /nfs/dbraw/zinc/75/88/04/891758804.db2.gz KVYSRWXWPGOZAI-GOSISDBHSA-N 1 3 376.907 3.867 20 0 GHADHO CC(C)n1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001137076304 891958000 /nfs/dbraw/zinc/95/80/00/891958000.db2.gz AAMSNSNBPAUUKR-QFIPXVFZSA-N 1 3 382.552 3.720 20 0 GHADHO CC(C)n1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001137076304 891958013 /nfs/dbraw/zinc/95/80/13/891958013.db2.gz AAMSNSNBPAUUKR-QFIPXVFZSA-N 1 3 382.552 3.720 20 0 GHADHO CN(CCN(Cc1ccccc1)C(=O)CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000261756198 892100712 /nfs/dbraw/zinc/10/07/12/892100712.db2.gz HSMOOVKZSCYUJV-NRFANRHFSA-N 1 3 379.548 3.537 20 0 GHADHO C[C@@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000497735297 892288859 /nfs/dbraw/zinc/28/88/59/892288859.db2.gz GZBLGBVLBNPHKX-IFMALSPDSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508711894 892830110 /nfs/dbraw/zinc/83/01/10/892830110.db2.gz BQMQKSVDRRVOAA-GGAORHGYSA-N 1 3 385.596 3.522 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643968 893675117 /nfs/dbraw/zinc/67/51/17/893675117.db2.gz BSHXBKAEEXXWSP-DUXKGJEZSA-N 1 3 388.939 3.722 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379643968 893675128 /nfs/dbraw/zinc/67/51/28/893675128.db2.gz BSHXBKAEEXXWSP-DUXKGJEZSA-N 1 3 388.939 3.722 20 0 GHADHO COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000563659246 894034694 /nfs/dbraw/zinc/03/46/94/894034694.db2.gz ZMCFKFRTFYQUQC-GMKZXUHWSA-N 1 3 380.532 3.681 20 0 GHADHO COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000563659246 894034711 /nfs/dbraw/zinc/03/47/11/894034711.db2.gz ZMCFKFRTFYQUQC-GMKZXUHWSA-N 1 3 380.532 3.681 20 0 GHADHO CN1CC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@H]1c1ccccc1 ZINC000455850935 894679340 /nfs/dbraw/zinc/67/93/40/894679340.db2.gz KWKJWYMPILQSSG-BHDDXSALSA-N 1 3 378.520 3.802 20 0 GHADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2Oc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000564728480 895213651 /nfs/dbraw/zinc/21/36/51/895213651.db2.gz ANSHJQTZFAILBW-UGKGYDQZSA-N 1 3 393.531 3.559 20 0 GHADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000564785240 895246554 /nfs/dbraw/zinc/24/65/54/895246554.db2.gz VJXLIXSMPDKTFW-UHFFFAOYSA-N 1 3 394.947 3.596 20 0 GHADHO COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000564988665 895339729 /nfs/dbraw/zinc/33/97/29/895339729.db2.gz MWLWDAOLYLEMSD-MZKRTTBSSA-N 1 3 393.531 3.697 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3cccc(SC)c3)CC2)CC1 ZINC000565183893 895447037 /nfs/dbraw/zinc/44/70/37/895447037.db2.gz WRDWJHZLZVSBHU-UHFFFAOYSA-N 1 3 375.582 3.568 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000565827539 895915343 /nfs/dbraw/zinc/91/53/43/895915343.db2.gz AGVFRRGNLHYTMB-REWPJTCUSA-N 1 3 392.478 3.665 20 0 GHADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000817892917 895950753 /nfs/dbraw/zinc/95/07/53/895950753.db2.gz WWFNGYFZTBMAEP-ITSWEJNFSA-N 1 3 393.487 3.550 20 0 GHADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000817892099 895950986 /nfs/dbraw/zinc/95/09/86/895950986.db2.gz QRBUAWUXVQSHSU-JBUDQFAYSA-N 1 3 391.515 3.720 20 0 GHADHO [NH3+]CCc1ccc(CN[C@H]2CCCOc3c(Br)cccc32)cc1 ZINC000817947953 895973674 /nfs/dbraw/zinc/97/36/74/895973674.db2.gz GWKBZWNYLQDWKM-SFHVURJKSA-N 1 3 375.310 3.954 20 0 GHADHO COc1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1OC ZINC000566010410 896046133 /nfs/dbraw/zinc/04/61/33/896046133.db2.gz SLUUBRYWUFAXPB-IAGOWNOFSA-N 1 3 387.549 3.649 20 0 GHADHO N[C@H](CCC[NH3+])Nc1cc2ccc1CCc1ccc(c(Br)c1)CC2 ZINC001170905808 896214602 /nfs/dbraw/zinc/21/46/02/896214602.db2.gz WJSRVDUKQUJOOV-FQEVSTJZSA-N 1 3 388.353 3.769 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)cc3SC)CC2)CC1 ZINC000566464172 896326624 /nfs/dbraw/zinc/32/66/24/896326624.db2.gz BSLWFCNECDVBFC-UHFFFAOYSA-N 1 3 375.582 3.852 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000819329723 896574144 /nfs/dbraw/zinc/57/41/44/896574144.db2.gz WGAKZPYEVJDCCI-WVUPVLJSSA-N 1 3 398.522 3.741 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000819329723 896574148 /nfs/dbraw/zinc/57/41/48/896574148.db2.gz WGAKZPYEVJDCCI-WVUPVLJSSA-N 1 3 398.522 3.741 20 0 GHADHO OC1(CCNCc2cc3cc(Cl)cnc3o2)CC[NH+](Cc2ccccc2)CC1 ZINC000883342776 897509446 /nfs/dbraw/zinc/50/94/46/897509446.db2.gz MEEZCZLSFSFNIL-UHFFFAOYSA-N 1 3 399.922 3.988 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001136410433 897711256 /nfs/dbraw/zinc/71/12/56/897711256.db2.gz YNHMFUDCZIQMLY-XMMPIXPASA-N 1 3 399.623 3.912 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001136410433 897711260 /nfs/dbraw/zinc/71/12/60/897711260.db2.gz YNHMFUDCZIQMLY-XMMPIXPASA-N 1 3 399.623 3.912 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000568624562 897992093 /nfs/dbraw/zinc/99/20/93/897992093.db2.gz OWPMXWQPESQEIH-WZONZLPQSA-N 1 3 377.532 3.564 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000568624562 897992106 /nfs/dbraw/zinc/99/21/06/897992106.db2.gz OWPMXWQPESQEIH-WZONZLPQSA-N 1 3 377.532 3.564 20 0 GHADHO c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210993 899196772 /nfs/dbraw/zinc/19/67/72/899196772.db2.gz QEMWIYDROMRXRZ-GOTSBHOMSA-N 1 3 376.548 3.636 20 0 GHADHO c1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210993 899196778 /nfs/dbraw/zinc/19/67/78/899196778.db2.gz QEMWIYDROMRXRZ-GOTSBHOMSA-N 1 3 376.548 3.636 20 0 GHADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761643 899567946 /nfs/dbraw/zinc/56/79/46/899567946.db2.gz CCSQZHLFJAFPAD-FUHWJXTLSA-N 1 3 378.442 3.807 20 0 GHADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761643 899567956 /nfs/dbraw/zinc/56/79/56/899567956.db2.gz CCSQZHLFJAFPAD-FUHWJXTLSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761643 899567962 /nfs/dbraw/zinc/56/79/62/899567962.db2.gz CCSQZHLFJAFPAD-FUHWJXTLSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761643 899567972 /nfs/dbraw/zinc/56/79/72/899567972.db2.gz CCSQZHLFJAFPAD-FUHWJXTLSA-N 1 3 378.442 3.807 20 0 GHADHO COc1cc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2n1 ZINC000571431580 899863649 /nfs/dbraw/zinc/86/36/49/899863649.db2.gz UFUIJYSLOVAEND-REWPJTCUSA-N 1 3 375.472 3.589 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000572352100 900158395 /nfs/dbraw/zinc/15/83/95/900158395.db2.gz SDUCZNIJRMIJBP-XMMPIXPASA-N 1 3 381.564 3.596 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccsc1 ZINC000573153263 900398966 /nfs/dbraw/zinc/39/89/66/900398966.db2.gz AJBMWFYTSZGRCF-UXHICEINSA-N 1 3 392.613 3.791 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(-c4ccccc4)o3)CC2)CC1 ZINC000573217644 900416886 /nfs/dbraw/zinc/41/68/86/900416886.db2.gz LSWMGPSLJUVQSF-UHFFFAOYSA-N 1 3 395.547 3.759 20 0 GHADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000885972405 900660911 /nfs/dbraw/zinc/66/09/11/900660911.db2.gz BOIAHRJRHMSZCG-HXUWFJFHSA-N 1 3 392.971 3.870 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844624128 901086208 /nfs/dbraw/zinc/08/62/08/901086208.db2.gz CPSARZIFHXEOLP-NOCIGQNYSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844624128 901086217 /nfs/dbraw/zinc/08/62/17/901086217.db2.gz CPSARZIFHXEOLP-NOCIGQNYSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844624130 901086604 /nfs/dbraw/zinc/08/66/04/901086604.db2.gz CPSARZIFHXEOLP-QSOKESPWSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844624130 901086610 /nfs/dbraw/zinc/08/66/10/901086610.db2.gz CPSARZIFHXEOLP-QSOKESPWSA-N 1 3 396.453 3.877 20 0 GHADHO CC(C)n1ncc2cc(C[N@@H+]3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197074 901795148 /nfs/dbraw/zinc/79/51/48/901795148.db2.gz UGXOSUJWYUFZMJ-GGAORHGYSA-N 1 3 389.547 3.966 20 0 GHADHO CC(C)n1ncc2cc(C[N@H+]3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197074 901795155 /nfs/dbraw/zinc/79/51/55/901795155.db2.gz UGXOSUJWYUFZMJ-GGAORHGYSA-N 1 3 389.547 3.966 20 0 GHADHO C[C@H](OC[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000576457823 902032723 /nfs/dbraw/zinc/03/27/23/902032723.db2.gz RZAOIKDLACNFTE-HRAATJIYSA-N 1 3 380.960 3.775 20 0 GHADHO COc1cc(NC(=O)CCNCC[C@H](C)[NH+]2CCCCC2)c(OC)cc1Cl ZINC000576747834 902232434 /nfs/dbraw/zinc/23/24/34/902232434.db2.gz VRABUUCPBYPSIQ-HNNXBMFYSA-N 1 3 397.947 3.540 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCC2 ZINC000846063454 902678781 /nfs/dbraw/zinc/67/87/81/902678781.db2.gz HNHDDBVAZCHTRH-RTBURBONSA-N 1 3 377.573 3.819 20 0 GHADHO CCN(CC1(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)COC1)[C@H]1CCOC(C)(C)C1 ZINC000577545708 902872218 /nfs/dbraw/zinc/87/22/18/902872218.db2.gz BIWQITBBWPJBQL-PMACEKPBSA-N 1 3 396.616 3.562 20 0 GHADHO CCN(CC1(C[N@@H+](CC)[C@H]2CCOC(C)(C)C2)COC1)[C@H]1CCOC(C)(C)C1 ZINC000577545708 902872229 /nfs/dbraw/zinc/87/22/29/902872229.db2.gz BIWQITBBWPJBQL-PMACEKPBSA-N 1 3 396.616 3.562 20 0 GHADHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000577787180 903190422 /nfs/dbraw/zinc/19/04/22/903190422.db2.gz CEEURSMWAGCKRJ-WMZHIEFXSA-N 1 3 378.564 3.990 20 0 GHADHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000577787180 903190430 /nfs/dbraw/zinc/19/04/30/903190430.db2.gz CEEURSMWAGCKRJ-WMZHIEFXSA-N 1 3 378.564 3.990 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000578034235 903460842 /nfs/dbraw/zinc/46/08/42/903460842.db2.gz XGZKTJLZWONACY-GNADVCDUSA-N 1 3 397.607 3.914 20 0 GHADHO COc1ccc([C@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000265108910 903636521 /nfs/dbraw/zinc/63/65/21/903636521.db2.gz AVWGUONVWOOAKH-RBUKOAKNSA-N 1 3 395.547 3.515 20 0 GHADHO C[C@@H]1C[C@H](N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000779073170 903903886 /nfs/dbraw/zinc/90/38/86/903903886.db2.gz LJFOFKYGSUYEBO-WLRLJWMZSA-N 1 3 387.568 3.852 20 0 GHADHO C[C@@H]1C[C@H](N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000779073170 903903900 /nfs/dbraw/zinc/90/39/00/903903900.db2.gz LJFOFKYGSUYEBO-WLRLJWMZSA-N 1 3 387.568 3.852 20 0 GHADHO CCN1CCN(c2ccc(C(=O)NCC[PH+](C(C)C)C(C)C)cc2)CC1 ZINC001149010617 904265853 /nfs/dbraw/zinc/26/58/53/904265853.db2.gz FIEKGSRSNJBVSX-UHFFFAOYSA-N 1 3 377.513 3.857 20 0 GHADHO CC1(C)C[C@@H](N[C@H]2CCN(Cc3cccnc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171981437 905234581 /nfs/dbraw/zinc/23/45/81/905234581.db2.gz XYLXYBPFFSWSIN-GOTSBHOMSA-N 1 3 378.564 3.689 20 0 GHADHO CC1(C)C[C@@H](N[C@H]2CCN(Cc3cccnc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981437 905234593 /nfs/dbraw/zinc/23/45/93/905234593.db2.gz XYLXYBPFFSWSIN-GOTSBHOMSA-N 1 3 378.564 3.689 20 0 GHADHO CC1(C)C[C@@H](N2CCC(NC(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171984648 905240162 /nfs/dbraw/zinc/24/01/62/905240162.db2.gz OCUNEVDDJLPRMU-QFIPXVFZSA-N 1 3 383.580 3.810 20 0 GHADHO CC1(C)C[C@@H](N2CCC(NC(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984648 905240176 /nfs/dbraw/zinc/24/01/76/905240176.db2.gz OCUNEVDDJLPRMU-QFIPXVFZSA-N 1 3 383.580 3.810 20 0 GHADHO CC1(C)C[C@H](N2CCC(NC(=O)N3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171986634 905244520 /nfs/dbraw/zinc/24/45/20/905244520.db2.gz JWHBJJMLUFLIQA-JOCHJYFZSA-N 1 3 398.595 3.699 20 0 GHADHO CC1(C)C[C@H](N2CCC(NC(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171986634 905244535 /nfs/dbraw/zinc/24/45/35/905244535.db2.gz JWHBJJMLUFLIQA-JOCHJYFZSA-N 1 3 398.595 3.699 20 0 GHADHO COc1cccc([C@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172063282 905325464 /nfs/dbraw/zinc/32/54/64/905325464.db2.gz BPLIBSXPBYNSPH-KHUIQGCPSA-N 1 3 380.532 3.904 20 0 GHADHO Cc1ccc(CN2CCOC3(CCN([C@@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)CC3)C2)cc1 ZINC001172117463 905371993 /nfs/dbraw/zinc/37/19/93/905371993.db2.gz QIVMHMLIENSPHL-BKFWDETESA-N 1 3 397.607 3.677 20 0 GHADHO Cc1ccc(CN2CCOC3(CCN([C@@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)CC3)C2)cc1 ZINC001172117463 905372003 /nfs/dbraw/zinc/37/20/03/905372003.db2.gz QIVMHMLIENSPHL-BKFWDETESA-N 1 3 397.607 3.677 20 0 GHADHO CCCC[C@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)CCN1C(=O)OC(C)(C)C ZINC001172647308 905711328 /nfs/dbraw/zinc/71/13/28/905711328.db2.gz YUCXBYLZVMVDOV-MOPGFXCFSA-N 1 3 379.589 3.972 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826513 905856184 /nfs/dbraw/zinc/85/61/84/905856184.db2.gz CITVDYVKAMKIDW-REWPJTCUSA-N 1 3 384.564 3.592 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826513 905856196 /nfs/dbraw/zinc/85/61/96/905856196.db2.gz CITVDYVKAMKIDW-REWPJTCUSA-N 1 3 384.564 3.592 20 0 GHADHO CO[C@@H]1CCC[C@H]([NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001172933934 906001501 /nfs/dbraw/zinc/00/15/01/906001501.db2.gz CCFCEQOAWWAPTO-GBESFXJTSA-N 1 3 378.582 3.761 20 0 GHADHO CC[NH+](CC)C1CCC(N2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001173113238 906200777 /nfs/dbraw/zinc/20/07/77/906200777.db2.gz IFEMLBNETAYLKS-OFLPRAFFSA-N 1 3 389.531 3.874 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001173635811 906588613 /nfs/dbraw/zinc/58/86/13/906588613.db2.gz WWMZKPIRVHDNSA-AEFFLSMTSA-N 1 3 378.944 3.798 20 0 GHADHO FC(F)(F)CN1CCC(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001173673795 906610701 /nfs/dbraw/zinc/61/07/01/906610701.db2.gz UHJKPQLCRPTJTD-UHFFFAOYSA-N 1 3 381.486 3.536 20 0 GHADHO FC(F)(F)CN1CCC(N2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001173673795 906610713 /nfs/dbraw/zinc/61/07/13/906610713.db2.gz UHJKPQLCRPTJTD-UHFFFAOYSA-N 1 3 381.486 3.536 20 0 GHADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccccc2Br)CC1 ZINC000299224882 921258776 /nfs/dbraw/zinc/25/87/76/921258776.db2.gz IVRSAAWXSWIGJJ-UHFFFAOYSA-N 1 3 382.346 3.584 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3ccc4ccccc4c3)CC2)CC1 ZINC000180115413 906691881 /nfs/dbraw/zinc/69/18/81/906691881.db2.gz SSRGJIGIYARYNO-UHFFFAOYSA-N 1 3 393.575 3.837 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001173773849 906699697 /nfs/dbraw/zinc/69/96/97/906699697.db2.gz PFMYICONOJMLIF-DLBZAZTESA-N 1 3 381.923 3.546 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCc2cccc3cccc1c32)c1ccccc1 ZINC001176336761 908040533 /nfs/dbraw/zinc/04/05/33/908040533.db2.gz UWQZICAHMDNNJR-PKTZIBPZSA-N 1 3 387.527 3.836 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC001177294093 908499172 /nfs/dbraw/zinc/49/91/72/908499172.db2.gz DPQREMJJZZTNLK-OAQYLSRUSA-N 1 3 395.591 3.944 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000268750079 909996560 /nfs/dbraw/zinc/99/65/60/909996560.db2.gz CESCWZFMWWFVMD-MYUZEXMDSA-N 1 3 388.577 3.995 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000268874039 910054094 /nfs/dbraw/zinc/05/40/94/910054094.db2.gz DLXGWMAMGDXIBM-MRXNPFEDSA-N 1 3 377.960 3.684 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3cccn(C(F)F)c3=O)cc2)C1 ZINC000638363571 910134136 /nfs/dbraw/zinc/13/41/36/910134136.db2.gz OYVDCCVFYLTGIP-MRXNPFEDSA-N 1 3 375.463 3.765 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3cccn(C(F)F)c3=O)cc2)C1 ZINC000638363571 910134145 /nfs/dbraw/zinc/13/41/45/910134145.db2.gz OYVDCCVFYLTGIP-MRXNPFEDSA-N 1 3 375.463 3.765 20 0 GHADHO CCOc1ccc(Oc2cc(C[NH2+]C3CCN(CC(C)(C)O)CC3)ccn2)cc1 ZINC000638389732 910142535 /nfs/dbraw/zinc/14/25/35/910142535.db2.gz HZMQRVQQBXNAGW-UHFFFAOYSA-N 1 3 399.535 3.598 20 0 GHADHO Cc1ccc(C(=O)Nc2cccc(C[NH2+]C3CCN(CC(C)(C)O)CC3)c2)cc1 ZINC000638391324 910143336 /nfs/dbraw/zinc/14/33/36/910143336.db2.gz PEHOJNHUSYKDFO-UHFFFAOYSA-N 1 3 395.547 3.572 20 0 GHADHO CCCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000246560851 910374193 /nfs/dbraw/zinc/37/41/93/910374193.db2.gz UJEAWAUBOBTPKD-WVUPVLJSSA-N 1 3 383.580 3.810 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001181471391 910782695 /nfs/dbraw/zinc/78/26/95/910782695.db2.gz FJPGHPMUGDRXBK-UXPWSPDFSA-N 1 3 394.401 3.904 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000801922061 921630332 /nfs/dbraw/zinc/63/03/32/921630332.db2.gz DVIYWTWGBKWBJX-WOJBJXKFSA-N 1 3 379.589 3.974 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4CCC5(CC4)OCCO5)[C@H]3C2)cc1 ZINC000774389865 911731928 /nfs/dbraw/zinc/73/19/28/911731928.db2.gz CLAMFEXEPFCJQX-RJGXRXQPSA-N 1 3 384.564 3.810 20 0 GHADHO CC(C)C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccncc1 ZINC000647309266 915146489 /nfs/dbraw/zinc/14/64/89/915146489.db2.gz GRHDWTPCTXLHMU-QHCPKHFHSA-N 1 3 394.563 3.656 20 0 GHADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1cccs1 ZINC000647334806 915159318 /nfs/dbraw/zinc/15/93/18/915159318.db2.gz SGDJIBHXGICENC-QFUCXCTJSA-N 1 3 385.577 3.643 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647344373 915166939 /nfs/dbraw/zinc/16/69/39/915166939.db2.gz PFNCKRLDXYGPHT-PQVVKJAFSA-N 1 3 377.576 3.832 20 0 GHADHO COc1cccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cc(F)ccc2OC)c1 ZINC000647549613 915322076 /nfs/dbraw/zinc/32/20/76/915322076.db2.gz JYFWTDXZVIUXDA-WKUQZLKGSA-N 1 3 384.495 3.910 20 0 GHADHO Fc1ccc([C@@H](C[C@@H]2CCOC2)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000292362916 915636352 /nfs/dbraw/zinc/63/63/52/915636352.db2.gz YVNABOYLJWHDPE-GHTZIAJQSA-N 1 3 376.516 3.528 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3cccc4ccccc43)CC2)CC1 ZINC000294682346 916930214 /nfs/dbraw/zinc/93/02/14/916930214.db2.gz JWSBHHZKNQEIIO-UHFFFAOYSA-N 1 3 393.575 3.792 20 0 GHADHO CC(=O)N1CC[C@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000362032890 917042722 /nfs/dbraw/zinc/04/27/22/917042722.db2.gz RBFTVLNBBMRODR-VGSWGCGISA-N 1 3 381.520 3.776 20 0 GHADHO CSc1cc(Br)ccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708156 917243688 /nfs/dbraw/zinc/24/36/88/917243688.db2.gz UKEAWGRGHNEOJR-XKQJLSEDSA-N 1 3 399.398 3.889 20 0 GHADHO CSc1cc(Br)ccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708154 917243740 /nfs/dbraw/zinc/24/37/40/917243740.db2.gz UKEAWGRGHNEOJR-JQFCIGGWSA-N 1 3 399.398 3.889 20 0 GHADHO Fc1cc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)c(F)cn1 ZINC000295846440 917543356 /nfs/dbraw/zinc/54/33/56/917543356.db2.gz WFSMPXMHVHQVNT-UHFFFAOYSA-N 1 3 375.463 3.521 20 0 GHADHO CC1CC[NH+](CCC[C@@H](NCCN2CCCC2=O)c2ccc(F)cc2)CC1 ZINC000652294156 917866201 /nfs/dbraw/zinc/86/62/01/917866201.db2.gz RPHWBPVAIXOFTE-OAQYLSRUSA-N 1 3 375.532 3.591 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C3CC3)C3CCC(C)CC3)CC2)CC1 ZINC000654635038 919260867 /nfs/dbraw/zinc/26/08/67/919260867.db2.gz DAXIDWOBDIZQII-UHFFFAOYSA-N 1 3 375.601 3.752 20 0 GHADHO C[NH+](C)CCCN(C(=O)Cc1c[nH]cn1)C(c1ccccc1)c1ccccc1 ZINC000900536042 920379694 /nfs/dbraw/zinc/37/96/94/920379694.db2.gz VNMNBGUUFCGOAE-UHFFFAOYSA-N 1 3 376.504 3.522 20 0 GHADHO CCCOc1c(OC)cc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1OC ZINC000903178040 922835477 /nfs/dbraw/zinc/83/54/77/922835477.db2.gz CVTHPSFWBMEGBV-CTXDPNEZSA-N 1 3 388.552 3.783 20 0 GHADHO CCCOc1c(OC)cc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1OC ZINC000903178040 922835490 /nfs/dbraw/zinc/83/54/90/922835490.db2.gz CVTHPSFWBMEGBV-CTXDPNEZSA-N 1 3 388.552 3.783 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](CCOc3cccc4ccccc43)CC2)CC1 ZINC000677739018 924475036 /nfs/dbraw/zinc/47/50/36/924475036.db2.gz XGPCKRGCIALWSS-UHFFFAOYSA-N 1 3 381.564 3.709 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1)c1ccsc1 ZINC000827023793 924585252 /nfs/dbraw/zinc/58/52/52/924585252.db2.gz LERFONDCHOTSNN-SJORKVTESA-N 1 3 394.972 3.694 20 0 GHADHO O=C(C1CCCC1)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000679394884 925122668 /nfs/dbraw/zinc/12/26/68/925122668.db2.gz RJLOUTGWGAFRTA-ODAXIHTASA-N 1 3 381.564 3.563 20 0 GHADHO O=C(C1CCCC1)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000679394884 925122674 /nfs/dbraw/zinc/12/26/74/925122674.db2.gz RJLOUTGWGAFRTA-ODAXIHTASA-N 1 3 381.564 3.563 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c[nH]c3ncccc13)CC2 ZINC001137400868 925388126 /nfs/dbraw/zinc/38/81/26/925388126.db2.gz JJHZMOPSMNBEQD-NRFANRHFSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c[nH]c3ncccc13)CC2 ZINC001137400868 925388136 /nfs/dbraw/zinc/38/81/36/925388136.db2.gz JJHZMOPSMNBEQD-NRFANRHFSA-N 1 3 390.531 3.818 20 0 GHADHO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412181101 927181159 /nfs/dbraw/zinc/18/11/59/927181159.db2.gz XLTQTTXMXMPUCD-UHFFFAOYSA-N 1 3 385.577 3.938 20 0 GHADHO CN1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H]1c1ccccc1 ZINC000412223106 927224943 /nfs/dbraw/zinc/22/49/43/927224943.db2.gz TUOWWZYUFYYLOI-XZOQPEGZSA-N 1 3 377.532 3.848 20 0 GHADHO Fc1cncc([C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C2CC2)c1 ZINC000467354676 928989657 /nfs/dbraw/zinc/98/96/57/928989657.db2.gz DMDLSJJCXSTABX-XMMPIXPASA-N 1 3 396.554 3.859 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CN1Cc1ccccc1 ZINC000467689363 929305650 /nfs/dbraw/zinc/30/56/50/929305650.db2.gz TWAGICHAQFHWII-XXBNENTESA-N 1 3 377.532 3.675 20 0 GHADHO C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780881447 930626107 /nfs/dbraw/zinc/62/61/07/930626107.db2.gz CWBBEAGIXGZCGY-RBBKRZOGSA-N 1 3 378.564 3.761 20 0 GHADHO C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780881447 930626109 /nfs/dbraw/zinc/62/61/09/930626109.db2.gz CWBBEAGIXGZCGY-RBBKRZOGSA-N 1 3 378.564 3.761 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470888785 931001657 /nfs/dbraw/zinc/00/16/57/931001657.db2.gz AJVJBUFHIOOUBR-FCHUYYIVSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470888785 931001661 /nfs/dbraw/zinc/00/16/61/931001661.db2.gz AJVJBUFHIOOUBR-FCHUYYIVSA-N 1 3 386.584 3.557 20 0 GHADHO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000547509032 931081337 /nfs/dbraw/zinc/08/13/37/931081337.db2.gz RYMHIGABPMNQKP-XMSQKQJNSA-N 1 3 381.520 3.524 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000925824817 931915557 /nfs/dbraw/zinc/91/55/57/931915557.db2.gz CVICTNIZQVWTMZ-CDHQVMDDSA-N 1 3 392.469 3.562 20 0 GHADHO CN1CCN(CC[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1(C)C ZINC000926357401 932145410 /nfs/dbraw/zinc/14/54/10/932145410.db2.gz PENUYLPFOYVSKW-UHFFFAOYSA-N 1 3 377.417 3.656 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2CCN(C(=O)OC)CC2)ccc1OC ZINC000797093934 932180502 /nfs/dbraw/zinc/18/05/02/932180502.db2.gz MTFSADOBHZXRME-QGZVFWFLSA-N 1 3 391.556 3.666 20 0 GHADHO CN(C)C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000558913711 932310955 /nfs/dbraw/zinc/31/09/55/932310955.db2.gz NZXPCUWYVURZIV-FQEVSTJZSA-N 1 3 392.975 3.649 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348942 932607595 /nfs/dbraw/zinc/60/75/95/932607595.db2.gz JKDOPXPBTPXJIF-UPVQGACJSA-N 1 3 394.563 3.501 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348942 932607599 /nfs/dbraw/zinc/60/75/99/932607599.db2.gz JKDOPXPBTPXJIF-UPVQGACJSA-N 1 3 394.563 3.501 20 0 GHADHO O=C(CN1CCCCCCC1)Nc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000777663144 932750104 /nfs/dbraw/zinc/75/01/04/932750104.db2.gz AWZBDQOOHITWLE-VXKWHMMOSA-N 1 3 384.568 3.930 20 0 GHADHO O=C(CN1CCCCCCC1)Nc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000777663144 932750106 /nfs/dbraw/zinc/75/01/06/932750106.db2.gz AWZBDQOOHITWLE-VXKWHMMOSA-N 1 3 384.568 3.930 20 0 GHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000560894644 933660862 /nfs/dbraw/zinc/66/08/62/933660862.db2.gz WSRFFDPZMLHYMA-OTWHNJEPSA-N 1 3 390.572 3.757 20 0 GHADHO CC1CC[NH+](CCc2nnc([C@@H]3CCCN(Cc4cccc(F)c4)C3)o2)CC1 ZINC001117221674 933894743 /nfs/dbraw/zinc/89/47/43/933894743.db2.gz JSCMDQKNGWENAE-LJQANCHMSA-N 1 3 386.515 3.863 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000828457372 935635928 /nfs/dbraw/zinc/63/59/28/935635928.db2.gz PTIXCKXBOULIBX-LJQANCHMSA-N 1 3 388.943 3.544 20 0 GHADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)CN(C)C ZINC000830401936 935940743 /nfs/dbraw/zinc/94/07/43/935940743.db2.gz DNIQVESTMRDJMA-HOJAQTOUSA-N 1 3 375.557 3.915 20 0 GHADHO C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001625797059 1014176681 /nfs/dbraw/zinc/17/66/81/1014176681.db2.gz VZITULILXDUZDC-BDTNDASRSA-N 1 3 399.623 3.814 20 0 GHADHO C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001625797059 1014176684 /nfs/dbraw/zinc/17/66/84/1014176684.db2.gz VZITULILXDUZDC-BDTNDASRSA-N 1 3 399.623 3.814 20 0 GHADHO COc1cccc([C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)N2CCCC2)c1 ZINC000545309350 1015762364 /nfs/dbraw/zinc/76/23/64/1015762364.db2.gz YKBHQOUZUFHMOA-JOCHJYFZSA-N 1 3 387.568 3.603 20 0 GHADHO COc1cccc([C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)N2CCCC2)c1 ZINC000545309350 1015762371 /nfs/dbraw/zinc/76/23/71/1015762371.db2.gz YKBHQOUZUFHMOA-JOCHJYFZSA-N 1 3 387.568 3.603 20 0 GHADHO CCCCN(CC)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1ccccc1 ZINC001220803171 1032127294 /nfs/dbraw/zinc/12/72/94/1032127294.db2.gz CKUNHJCTHAUREH-BZSNNMDCSA-N 1 3 385.474 3.506 20 0 GHADHO CC1CCN(C[C@H](O)C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000545460800 1015894818 /nfs/dbraw/zinc/89/48/18/1015894818.db2.gz LUICXKQTUMZDFD-FGZHOGPDSA-N 1 3 387.955 3.701 20 0 GHADHO Cc1ccc([C@H](C)Oc2c(CN(C)C)cc(C[NH+](C)C)cc2CN(C)C)cn1 ZINC001227160534 1032300450 /nfs/dbraw/zinc/30/04/50/1032300450.db2.gz IYOBWSDFNVNUAS-SFHVURJKSA-N 1 3 384.568 3.715 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001221794399 1032537088 /nfs/dbraw/zinc/53/70/88/1032537088.db2.gz LNJDIUHWTZOKAJ-ILWGZMRPSA-N 1 3 386.584 3.603 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001221794399 1032537093 /nfs/dbraw/zinc/53/70/93/1032537093.db2.gz LNJDIUHWTZOKAJ-ILWGZMRPSA-N 1 3 386.584 3.603 20 0 GHADHO CN(C)C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643689 1032619154 /nfs/dbraw/zinc/61/91/54/1032619154.db2.gz SGHOWRUAAYWGHT-UNMCSNQZSA-N 1 3 399.966 3.971 20 0 GHADHO CN(C)C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643689 1032619162 /nfs/dbraw/zinc/61/91/62/1032619162.db2.gz SGHOWRUAAYWGHT-UNMCSNQZSA-N 1 3 399.966 3.971 20 0 GHADHO CN(Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC001204224156 1032670223 /nfs/dbraw/zinc/67/02/23/1032670223.db2.gz NLRMDKRXSJBXFB-LJQANCHMSA-N 1 3 387.474 3.615 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC001204224156 1032670233 /nfs/dbraw/zinc/67/02/33/1032670233.db2.gz NLRMDKRXSJBXFB-LJQANCHMSA-N 1 3 387.474 3.615 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC001204224156 1032670236 /nfs/dbraw/zinc/67/02/36/1032670236.db2.gz NLRMDKRXSJBXFB-LJQANCHMSA-N 1 3 387.474 3.615 20 0 GHADHO CCCc1noc([C@@H]2CCCN(Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204270103 1032713437 /nfs/dbraw/zinc/71/34/37/1032713437.db2.gz PFVSVNJCGDDHIG-LJQANCHMSA-N 1 3 386.540 3.732 20 0 GHADHO Cc1ccccc1[C@@H](OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000564858219 1019119486 /nfs/dbraw/zinc/11/94/86/1019119486.db2.gz ASQVIFDJBIACLS-CJQSNXSWSA-N 1 3 394.559 3.677 20 0 GHADHO Cc1ccccc1[C@@H](OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000564858219 1019119491 /nfs/dbraw/zinc/11/94/91/1019119491.db2.gz ASQVIFDJBIACLS-CJQSNXSWSA-N 1 3 394.559 3.677 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581035 1019238276 /nfs/dbraw/zinc/23/82/76/1019238276.db2.gz HAWWDBVIFIYVHI-SESVDKBCSA-N 1 3 383.536 3.737 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581035 1019238279 /nfs/dbraw/zinc/23/82/79/1019238279.db2.gz HAWWDBVIFIYVHI-SESVDKBCSA-N 1 3 383.536 3.737 20 0 GHADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000571825501 1019714678 /nfs/dbraw/zinc/71/46/78/1019714678.db2.gz RPOSXROKBSBMOG-XBYSBRQOSA-N 1 3 398.591 3.708 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000576242349 1019993458 /nfs/dbraw/zinc/99/34/58/1019993458.db2.gz WRQQQWBLJYFAKU-HNNXBMFYSA-N 1 3 394.357 3.559 20 0 GHADHO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2cc(CN(C)C)ccn2)cc1 ZINC001156294137 1032964051 /nfs/dbraw/zinc/96/40/51/1032964051.db2.gz KUZNFXGJEBAIPK-OAQYLSRUSA-N 1 3 382.552 3.643 20 0 GHADHO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)c2cc(CN(C)C)ccn2)cc1 ZINC001156294137 1032964059 /nfs/dbraw/zinc/96/40/59/1032964059.db2.gz KUZNFXGJEBAIPK-OAQYLSRUSA-N 1 3 382.552 3.643 20 0 GHADHO Cc1ccc2n[nH]c(CN3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001140328470 1021413943 /nfs/dbraw/zinc/41/39/43/1021413943.db2.gz CBFYIXPONXLQPZ-UHFFFAOYSA-N 1 3 375.520 3.754 20 0 GHADHO Cc1ccc2n[nH]c(CN3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001140328470 1021413948 /nfs/dbraw/zinc/41/39/48/1021413948.db2.gz CBFYIXPONXLQPZ-UHFFFAOYSA-N 1 3 375.520 3.754 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4ncccc4CN4CCCC4)[C@@H]3C2)cc1 ZINC001156317893 1032982310 /nfs/dbraw/zinc/98/23/10/1032982310.db2.gz NKYOONICPHFAPD-MDNUFGMLSA-N 1 3 376.548 4.000 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4ncccc4CN4CCCC4)[C@@H]3C2)cc1 ZINC001156317893 1032982314 /nfs/dbraw/zinc/98/23/14/1032982314.db2.gz NKYOONICPHFAPD-MDNUFGMLSA-N 1 3 376.548 4.000 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)C1(c2ccccc2)CC[NH+](CC)CC1 ZINC001140515220 1021904220 /nfs/dbraw/zinc/90/42/20/1021904220.db2.gz XIFMFTOGOFZHAI-UHFFFAOYSA-N 1 3 385.596 3.765 20 0 GHADHO Cn1cc(CN2CCCC3(CC[NH2+]CC3)C2)c2cc(Br)ccc21 ZINC001204735533 1033053510 /nfs/dbraw/zinc/05/35/10/1033053510.db2.gz WXIQIZPXNZPCAR-UHFFFAOYSA-N 1 3 376.342 3.906 20 0 GHADHO COc1cc2cccnc2c(N(c2cc(CN(C)C)ccn2)[C@H](C)CCC[NH3+])c1 ZINC001156755415 1033224628 /nfs/dbraw/zinc/22/46/28/1033224628.db2.gz NDLUEUQCUVMFDM-QGZVFWFLSA-N 1 3 393.535 3.966 20 0 GHADHO Cc1nc(C(F)(F)F)ccc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001141424126 1024998995 /nfs/dbraw/zinc/99/89/95/1024998995.db2.gz WEGMKTPGEVZRSV-UHFFFAOYSA-N 1 3 385.474 3.733 20 0 GHADHO c1cc(C[N@H+]2CCC3(C2)CCN(Cc2cnn(-c4ccccc4)c2)CC3)co1 ZINC001138600923 1025084894 /nfs/dbraw/zinc/08/48/94/1025084894.db2.gz FJHLGSDGYRDQTR-UHFFFAOYSA-N 1 3 376.504 3.953 20 0 GHADHO c1cc(C[N@@H+]2CCC3(C2)CCN(Cc2cnn(-c4ccccc4)c2)CC3)co1 ZINC001138600923 1025084901 /nfs/dbraw/zinc/08/49/01/1025084901.db2.gz FJHLGSDGYRDQTR-UHFFFAOYSA-N 1 3 376.504 3.953 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(-c4ccc(F)cc4)cc3)CC[C@@H]2C1 ZINC001138681674 1025205791 /nfs/dbraw/zinc/20/57/91/1025205791.db2.gz WMMSESYNMVBXEU-ISKFKSNPSA-N 1 3 398.522 3.662 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(-c4ccc(F)cc4)cc3)CC[C@@H]2C1 ZINC001138681674 1025205803 /nfs/dbraw/zinc/20/58/03/1025205803.db2.gz WMMSESYNMVBXEU-ISKFKSNPSA-N 1 3 398.522 3.662 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC3(CCc4ccccc4O3)CC2)cc1 ZINC001138771832 1025342166 /nfs/dbraw/zinc/34/21/66/1025342166.db2.gz GJDPFGYWGJFOJS-UHFFFAOYSA-N 1 3 380.532 3.987 20 0 GHADHO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cc(Cl)nc2c1CCNC2 ZINC001165182497 1026651779 /nfs/dbraw/zinc/65/17/79/1026651779.db2.gz NYVRCAGARXTVRD-HRAATJIYSA-N 1 3 384.955 3.728 20 0 GHADHO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1cc(Cl)nc2c1CCNC2 ZINC001165182497 1026651784 /nfs/dbraw/zinc/65/17/84/1026651784.db2.gz NYVRCAGARXTVRD-HRAATJIYSA-N 1 3 384.955 3.728 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccsc1 ZINC001211237195 1027851583 /nfs/dbraw/zinc/85/15/83/1027851583.db2.gz RRAPUTYYSZNCIO-CMKODMSKSA-N 1 3 394.629 3.798 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC001461349147 1069512765 /nfs/dbraw/zinc/51/27/65/1069512765.db2.gz ZHDICGKCXDXZAS-DLBZAZTESA-N 1 3 387.749 3.570 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cc1CN1CCCCC1 ZINC000841764314 1028920905 /nfs/dbraw/zinc/92/09/05/1028920905.db2.gz GPCMKOTVYLXUSJ-LPHOPBHVSA-N 1 3 381.511 3.671 20 0 GHADHO Cc1ccc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c(Cl)c1Cl ZINC001276718310 1029057116 /nfs/dbraw/zinc/05/71/16/1029057116.db2.gz HODIJCNZTSLFNH-UHFFFAOYSA-N 1 3 398.378 3.678 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000842669111 1029473131 /nfs/dbraw/zinc/47/31/31/1029473131.db2.gz AWJQRLHOOXXYAL-JOCHJYFZSA-N 1 3 387.531 3.863 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000842669111 1029473135 /nfs/dbraw/zinc/47/31/35/1029473135.db2.gz AWJQRLHOOXXYAL-JOCHJYFZSA-N 1 3 387.531 3.863 20 0 GHADHO CC1(C)CCC[N@H+](CCNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009145 1029929048 /nfs/dbraw/zinc/92/90/48/1029929048.db2.gz BRRSBEGPFBBLOT-OAQYLSRUSA-N 1 3 386.584 3.635 20 0 GHADHO CC1(C)CCC[N@@H+](CCNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009145 1029929052 /nfs/dbraw/zinc/92/90/52/1029929052.db2.gz BRRSBEGPFBBLOT-OAQYLSRUSA-N 1 3 386.584 3.635 20 0 GHADHO FC(F)(F)Oc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC001222630102 1030250025 /nfs/dbraw/zinc/25/00/25/1030250025.db2.gz YVATYSKHUHKFAH-TXEJJXNPSA-N 1 3 393.247 3.779 20 0 GHADHO CCCN(C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001223843397 1030777087 /nfs/dbraw/zinc/77/70/87/1030777087.db2.gz IXMBBLSYRBUKOR-WPYKKVEZSA-N 1 3 398.595 3.698 20 0 GHADHO CCCN(C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001223843397 1030777094 /nfs/dbraw/zinc/77/70/94/1030777094.db2.gz IXMBBLSYRBUKOR-WPYKKVEZSA-N 1 3 398.595 3.698 20 0 GHADHO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001218860600 1031120800 /nfs/dbraw/zinc/12/08/00/1031120800.db2.gz GALVEFGNCGWOEV-DHIUTWEWSA-N 1 3 393.531 3.983 20 0 GHADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001224900917 1031169895 /nfs/dbraw/zinc/16/98/95/1031169895.db2.gz WIDXXALSGOPBBU-BVSLBCMMSA-N 1 3 386.584 3.632 20 0 GHADHO CC[C@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)N1CCc2ccccc2C1 ZINC001220618776 1032017947 /nfs/dbraw/zinc/01/79/47/1032017947.db2.gz DBIUJLFJQIHOIM-JOCHJYFZSA-N 1 3 388.600 3.631 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206013145 1033685970 /nfs/dbraw/zinc/68/59/70/1033685970.db2.gz PQVJBMKNWUEVEX-UONOGXRCSA-N 1 3 377.916 3.805 20 0 GHADHO N[C@@H]1CC[N@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@H]1F ZINC001206166261 1033749111 /nfs/dbraw/zinc/74/91/11/1033749111.db2.gz RMTPOKIMLKKNAQ-QZTJIDSGSA-N 1 3 378.289 3.772 20 0 GHADHO N[C@@H]1CC[N@@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@H]1F ZINC001206166261 1033749126 /nfs/dbraw/zinc/74/91/26/1033749126.db2.gz RMTPOKIMLKKNAQ-QZTJIDSGSA-N 1 3 378.289 3.772 20 0 GHADHO N[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@H]1F ZINC001206200884 1033760718 /nfs/dbraw/zinc/76/07/18/1033760718.db2.gz UCJAMYKYKLGNGA-IAGOWNOFSA-N 1 3 383.389 3.908 20 0 GHADHO N[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@H]1F ZINC001206200884 1033760733 /nfs/dbraw/zinc/76/07/33/1033760733.db2.gz UCJAMYKYKLGNGA-IAGOWNOFSA-N 1 3 383.389 3.908 20 0 GHADHO C[NH+]1CCN(C(=N)NC(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)CC1 ZINC001157920184 1033824293 /nfs/dbraw/zinc/82/42/93/1033824293.db2.gz IRJKJDNGWPXEDS-UHFFFAOYSA-N 1 3 385.890 3.604 20 0 GHADHO Cc1cc2nc(Cl)c(N(C3CC[NH2+]CC3)C3CCN(C)CC3)nc2cc1C ZINC001158581024 1034166739 /nfs/dbraw/zinc/16/67/39/1034166739.db2.gz NNNBRKDQSJOQBY-UHFFFAOYSA-N 1 3 387.959 3.553 20 0 GHADHO CC(C)CC[NH+]1CCC(NC[C@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC001207481886 1034391665 /nfs/dbraw/zinc/39/16/65/1034391665.db2.gz AKRMPOWBFIQVOZ-WRSRUZKNSA-N 1 3 394.600 3.756 20 0 GHADHO Cc1cc(Br)ccc1N1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207487770 1034395161 /nfs/dbraw/zinc/39/51/61/1034395161.db2.gz RCCXYAFFNWMJNZ-UHFFFAOYSA-N 1 3 380.374 3.611 20 0 GHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001159207606 1034484497 /nfs/dbraw/zinc/48/44/97/1034484497.db2.gz HSQCFFWGMUPCNE-GGAORHGYSA-N 1 3 387.612 3.766 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)ncc3Cl)c3ccccc23)CC1 ZINC001159459873 1034604400 /nfs/dbraw/zinc/60/44/00/1034604400.db2.gz GWDAWGGMXXSQDI-UHFFFAOYSA-N 1 3 390.318 3.693 20 0 GHADHO CCCSc1cncc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159468459 1034609775 /nfs/dbraw/zinc/60/97/75/1034609775.db2.gz WVWSJFILTPXNNV-UHFFFAOYSA-N 1 3 395.576 3.888 20 0 GHADHO Cc1c(C)c(C)c(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c(C)c1C ZINC001231493532 1034637581 /nfs/dbraw/zinc/63/75/81/1034637581.db2.gz ZOLNTYDNRQXUCP-UHFFFAOYSA-N 1 3 395.591 3.553 20 0 GHADHO Cc1c(C)c(C)c(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c(C)c1C ZINC001231493532 1034637583 /nfs/dbraw/zinc/63/75/83/1034637583.db2.gz ZOLNTYDNRQXUCP-UHFFFAOYSA-N 1 3 395.591 3.553 20 0 GHADHO Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001208157196 1034761705 /nfs/dbraw/zinc/76/17/05/1034761705.db2.gz UXSCZKRORLIBJW-QTGUNEKASA-N 1 3 383.536 3.700 20 0 GHADHO Cc1ccc([C@@H](C)CC[N@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001208157196 1034761718 /nfs/dbraw/zinc/76/17/18/1034761718.db2.gz UXSCZKRORLIBJW-QTGUNEKASA-N 1 3 383.536 3.700 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1cccc3c1OCCO3)CC2 ZINC001231883378 1034966526 /nfs/dbraw/zinc/96/65/26/1034966526.db2.gz KYFKLSLVZVSTEO-OAQYLSRUSA-N 1 3 382.504 3.927 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1cccc3c1OCCO3)CC2 ZINC001231883378 1034966527 /nfs/dbraw/zinc/96/65/27/1034966527.db2.gz KYFKLSLVZVSTEO-OAQYLSRUSA-N 1 3 382.504 3.927 20 0 GHADHO c1ccc(CN2CCC[C@@H](C[N@@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931318 1035094182 /nfs/dbraw/zinc/09/41/82/1035094182.db2.gz JAAWZFZIIJNKKD-DEOSSOPVSA-N 1 3 378.564 3.502 20 0 GHADHO c1ccc(CN2CCC[C@@H](C[N@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931318 1035094194 /nfs/dbraw/zinc/09/41/94/1035094194.db2.gz JAAWZFZIIJNKKD-DEOSSOPVSA-N 1 3 378.564 3.502 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208930986 1035094498 /nfs/dbraw/zinc/09/44/98/1035094498.db2.gz GNBBZZWKGXLJBW-OAQYLSRUSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208930986 1035094504 /nfs/dbraw/zinc/09/45/04/1035094504.db2.gz GNBBZZWKGXLJBW-OAQYLSRUSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950402 1035122127 /nfs/dbraw/zinc/12/21/27/1035122127.db2.gz SVEWQQCTCKDBCH-RTWAWAEBSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950402 1035122132 /nfs/dbraw/zinc/12/21/32/1035122132.db2.gz SVEWQQCTCKDBCH-RTWAWAEBSA-N 1 3 387.568 3.745 20 0 GHADHO O=C1Nc2ccccc2C2(CC[NH+](C[C@@H]3CCN(Cc4ccccc4)C3)CC2)N1 ZINC001208951572 1035123479 /nfs/dbraw/zinc/12/34/79/1035123479.db2.gz DCIGUORXAITDGV-FQEVSTJZSA-N 1 3 390.531 3.635 20 0 GHADHO COc1ccccc1[C@H](O)CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208952191 1035125358 /nfs/dbraw/zinc/12/53/58/1035125358.db2.gz HKVQAVYESYYGEL-JTHBVZDNSA-N 1 3 382.548 3.961 20 0 GHADHO COc1ccccc1[C@H](O)CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208952191 1035125363 /nfs/dbraw/zinc/12/53/63/1035125363.db2.gz HKVQAVYESYYGEL-JTHBVZDNSA-N 1 3 382.548 3.961 20 0 GHADHO CN(C)Cc1cc(F)cc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)c1 ZINC001232151527 1035130216 /nfs/dbraw/zinc/13/02/16/1035130216.db2.gz ZCRVPVRDNLOGDY-UHFFFAOYSA-N 1 3 397.542 3.560 20 0 GHADHO CCOC(=O)c1coc(C2CC[NH+](C[C@@H]3CCN(Cc4ccccc4)C3)CC2)n1 ZINC001208961046 1035132114 /nfs/dbraw/zinc/13/21/14/1035132114.db2.gz YCVUVCVVEAMMMT-IBGZPJMESA-N 1 3 397.519 3.553 20 0 GHADHO O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208965065 1035133479 /nfs/dbraw/zinc/13/34/79/1035133479.db2.gz WMFHTAOIBANXFG-IRLDBZIGSA-N 1 3 390.531 3.631 20 0 GHADHO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208965065 1035133485 /nfs/dbraw/zinc/13/34/85/1035133485.db2.gz WMFHTAOIBANXFG-IRLDBZIGSA-N 1 3 390.531 3.631 20 0 GHADHO CN(C)CCN(C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1)[C@H]1CCC[NH2+]C1 ZINC001161449891 1035233494 /nfs/dbraw/zinc/23/34/94/1035233494.db2.gz UYXKVWOMJBZFSG-QFIPXVFZSA-N 1 3 390.531 3.591 20 0 GHADHO CCN1CCN(c2ccc(-c3ccc([C@]45CC[NH2+][C@H]4COCC5)cc3)cc2)CC1 ZINC001241743811 1035669220 /nfs/dbraw/zinc/66/92/20/1035669220.db2.gz QHHPAKGUOPTNHV-LOSJGSFVSA-N 1 3 391.559 3.516 20 0 GHADHO Cc1ccc(OC[C@@H](O)CN[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)cc1 ZINC001246008463 1037129264 /nfs/dbraw/zinc/12/92/64/1037129264.db2.gz SYOUJXPEFZFTSG-CVDCTZTESA-N 1 3 386.511 3.594 20 0 GHADHO Fc1cccc(CN2CCC([NH2+][C@H]3CCN[C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246174892 1037223635 /nfs/dbraw/zinc/22/36/35/1037223635.db2.gz KDHMAJJEJWVXEB-BJKOFHAPSA-N 1 3 381.539 3.743 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N[C@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246270578 1037267207 /nfs/dbraw/zinc/26/72/07/1037267207.db2.gz MMPBFOLYEFTZFI-IKGGRYGDSA-N 1 3 398.332 3.515 20 0 GHADHO CCCC[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cc(OC)ccc3F)CC2)CCN1 ZINC001246358561 1037318660 /nfs/dbraw/zinc/31/86/60/1037318660.db2.gz GNQUWJBQGCGLOH-PMACEKPBSA-N 1 3 377.548 3.699 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246394966 1037354483 /nfs/dbraw/zinc/35/44/83/1037354483.db2.gz KMXGMYBQOUFWFL-XRXFAXGQSA-N 1 3 375.532 3.767 20 0 GHADHO c1ccc(C[C@H]2C[C@H]([NH2+]CC3(Cc4ccccc4)CCOCC3)CCN2)cc1 ZINC001246393793 1037355075 /nfs/dbraw/zinc/35/50/75/1037355075.db2.gz XQASRJDSGRFBDQ-RPWUZVMVSA-N 1 3 378.560 3.979 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@@H](NC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246435671 1037397695 /nfs/dbraw/zinc/39/76/95/1037397695.db2.gz JTZYCKWOAVRWMC-SJLPKXTDSA-N 1 3 398.469 3.692 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCNCC2)C1 ZINC001246435671 1037397724 /nfs/dbraw/zinc/39/77/24/1037397724.db2.gz JTZYCKWOAVRWMC-SJLPKXTDSA-N 1 3 398.469 3.692 20 0 GHADHO Fc1cccc(C2([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c4C3)CCNCC2)c1 ZINC001246439584 1037402133 /nfs/dbraw/zinc/40/21/33/1037402133.db2.gz WNXCNHYXAAMPOJ-MRXNPFEDSA-N 1 3 378.413 3.969 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H](NC2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CC1 ZINC001246453545 1037413653 /nfs/dbraw/zinc/41/36/53/1037413653.db2.gz XBCJMCZWHIEVOC-HZPDHXFCSA-N 1 3 398.469 3.996 20 0 GHADHO C[C@@H]1C[C@@H](NC2(Cc3cccc(F)c3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246457380 1037415551 /nfs/dbraw/zinc/41/55/51/1037415551.db2.gz KCGWKBYHZSFQEY-AUSIDOKSSA-N 1 3 381.539 3.743 20 0 GHADHO NC1=CC=C(C2CC[NH+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)CC2)NC1 ZINC001246492850 1037439412 /nfs/dbraw/zinc/43/94/12/1037439412.db2.gz DDILEBKYUYPMMV-QGZVFWFLSA-N 1 3 378.347 3.892 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCC[NH2+][C@H]3CCC[C@H](C)C3)ccc12 ZINC001246498230 1037441060 /nfs/dbraw/zinc/44/10/60/1037441060.db2.gz VQQNLENHHGTVCY-KNBMTAEXSA-N 1 3 399.535 3.706 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)cc1 ZINC001246686619 1037547394 /nfs/dbraw/zinc/54/73/94/1037547394.db2.gz SACZNRPHLPBCMP-CYSDGLOUSA-N 1 3 392.543 3.657 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)cc1 ZINC001246686619 1037547401 /nfs/dbraw/zinc/54/74/01/1037547401.db2.gz SACZNRPHLPBCMP-CYSDGLOUSA-N 1 3 392.543 3.657 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001246686619 1037547422 /nfs/dbraw/zinc/54/74/22/1037547422.db2.gz SACZNRPHLPBCMP-CYSDGLOUSA-N 1 3 392.543 3.657 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246686605 1037548971 /nfs/dbraw/zinc/54/89/71/1037548971.db2.gz RZQVBNMWWUMXFW-CYSDGLOUSA-N 1 3 392.543 3.873 20 0 GHADHO F[C@@H]1CCNC[C@@]12CC[N@@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690325 1037551105 /nfs/dbraw/zinc/55/11/05/1037551105.db2.gz KIJLMXPFAJSVLV-CGNZLSCGSA-N 1 3 380.548 3.502 20 0 GHADHO F[C@@H]1CCNC[C@@]12CC[N@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690325 1037551116 /nfs/dbraw/zinc/55/11/16/1037551116.db2.gz KIJLMXPFAJSVLV-CGNZLSCGSA-N 1 3 380.548 3.502 20 0 GHADHO CC(C)[C@@H]1C[C@H](N2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756136 1037599225 /nfs/dbraw/zinc/59/92/25/1037599225.db2.gz MXMNKLNRTSFPLO-XPWALMASSA-N 1 3 389.559 3.521 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN[C@H](c2cccc(Br)c2)C1 ZINC001246807559 1037642370 /nfs/dbraw/zinc/64/23/70/1037642370.db2.gz SBRXPCWXWVLYKV-APWZRJJASA-N 1 3 382.390 3.906 20 0 GHADHO COc1ccc(CN(Cc2ccccc2)[C@@H]2CSC3(C[NH2+]C3)C2)c(OC)c1 ZINC001246866789 1037685035 /nfs/dbraw/zinc/68/50/35/1037685035.db2.gz DTQFEAPAWLPJPC-IBGZPJMESA-N 1 3 384.545 3.554 20 0 GHADHO CCOC(=O)N1CCC[C@H](N(Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246951416 1037755537 /nfs/dbraw/zinc/75/55/37/1037755537.db2.gz KEYKJAOTBRDILI-FQEVSTJZSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951416 1037755544 /nfs/dbraw/zinc/75/55/44/1037755544.db2.gz KEYKJAOTBRDILI-FQEVSTJZSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)CC1 ZINC001246951416 1037755554 /nfs/dbraw/zinc/75/55/54/1037755554.db2.gz KEYKJAOTBRDILI-FQEVSTJZSA-N 1 3 391.531 3.699 20 0 GHADHO c1ccc(C(c2ccccc2)N2CC3(C2)CCN([C@H]2CCCC[NH2+]C2)C3)cc1 ZINC001246997017 1037820069 /nfs/dbraw/zinc/82/00/69/1037820069.db2.gz UDYBIOYIZOJNKU-QHCPKHFHSA-N 1 3 375.560 3.926 20 0 GHADHO C[C@@H]1CC[C@H](N2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)C[NH2+]1 ZINC001246998730 1037824738 /nfs/dbraw/zinc/82/47/38/1037824738.db2.gz ZRVAWPXAVVSXIG-OFNKIYASSA-N 1 3 375.560 3.924 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[C@@H](N3CCCCC3)[C@@H](F)C2)CC[NH2+]1 ZINC001247014461 1037838273 /nfs/dbraw/zinc/83/82/73/1037838273.db2.gz DBBJABWDPIUVOA-JKLQHZFJSA-N 1 3 377.523 3.826 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124724 1038911633 /nfs/dbraw/zinc/91/16/33/1038911633.db2.gz OMLKRPLGXLKIFF-LERMDLETSA-N 1 3 393.510 3.830 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124724 1038911634 /nfs/dbraw/zinc/91/16/34/1038911634.db2.gz OMLKRPLGXLKIFF-LERMDLETSA-N 1 3 393.510 3.830 20 0 GHADHO CCN(CC)C[C@@H](O)C[NH+]1CCC2(CCc3ccc(-c4ccoc4)cc32)CC1 ZINC001253186292 1039466059 /nfs/dbraw/zinc/46/60/59/1039466059.db2.gz NHTHHAGOPKXKBS-JOCHJYFZSA-N 1 3 382.548 3.929 20 0 GHADHO O[C@@H](CCOCc1ccccc1)C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001253269902 1039515074 /nfs/dbraw/zinc/51/50/74/1039515074.db2.gz DKKHENVLDAHBJA-QHCPKHFHSA-N 1 3 398.547 3.535 20 0 GHADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccccc2F)CC1)c1ccc(F)c(F)c1 ZINC001253376819 1039586277 /nfs/dbraw/zinc/58/62/77/1039586277.db2.gz MFNYECAYLOIYKG-NRFANRHFSA-N 1 3 378.438 3.639 20 0 GHADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3ccncc3Cl)C[C@H]2CC1 ZINC001278729643 1039727059 /nfs/dbraw/zinc/72/70/59/1039727059.db2.gz RNFOYESAROCCEZ-IYBDPMFKSA-N 1 3 376.957 3.844 20 0 GHADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3ccncc3Cl)C[C@H]2CC1 ZINC001278729643 1039727079 /nfs/dbraw/zinc/72/70/79/1039727079.db2.gz RNFOYESAROCCEZ-IYBDPMFKSA-N 1 3 376.957 3.844 20 0 GHADHO CC(C)Oc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001254003800 1039946500 /nfs/dbraw/zinc/94/65/00/1039946500.db2.gz SEZUYLMIMWVIPD-PCCBWWKXSA-N 1 3 390.568 3.552 20 0 GHADHO CC(C)Oc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001254003800 1039946502 /nfs/dbraw/zinc/94/65/02/1039946502.db2.gz SEZUYLMIMWVIPD-PCCBWWKXSA-N 1 3 390.568 3.552 20 0 GHADHO COc1cccc([C@H]2CC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)c1 ZINC001254039703 1039969993 /nfs/dbraw/zinc/96/99/93/1039969993.db2.gz AYFCRTLRNOUTRR-QFIPXVFZSA-N 1 3 380.532 3.512 20 0 GHADHO COc1cccc([C@H]2CC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)c1 ZINC001254039703 1039969998 /nfs/dbraw/zinc/96/99/98/1039969998.db2.gz AYFCRTLRNOUTRR-QFIPXVFZSA-N 1 3 380.532 3.512 20 0 GHADHO OC1(CNCc2ccc(C(F)(F)F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC001254049654 1039974791 /nfs/dbraw/zinc/97/47/91/1039974791.db2.gz JGAHSDDZXJZIAS-UHFFFAOYSA-N 1 3 396.428 3.961 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296342 1040146458 /nfs/dbraw/zinc/14/64/58/1040146458.db2.gz QIXXMSJBKUCDDT-QUCCMNQESA-N 1 3 375.557 3.873 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296342 1040146462 /nfs/dbraw/zinc/14/64/62/1040146462.db2.gz QIXXMSJBKUCDDT-QUCCMNQESA-N 1 3 375.557 3.873 20 0 GHADHO CN1CC[C@@H]2C[N@@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254796468 1040557170 /nfs/dbraw/zinc/55/71/70/1040557170.db2.gz ZICCFUVNVZFHKU-MOPGFXCFSA-N 1 3 391.600 3.830 20 0 GHADHO CN1CC[C@@H]2C[N@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254796468 1040557184 /nfs/dbraw/zinc/55/71/84/1040557184.db2.gz ZICCFUVNVZFHKU-MOPGFXCFSA-N 1 3 391.600 3.830 20 0 GHADHO c1cc(CN2CCC3(C2)CC[NH+](Cc2cccc(N4CCOCC4)c2)CC3)co1 ZINC001235081177 1040567684 /nfs/dbraw/zinc/56/76/84/1040567684.db2.gz ZPDPQTOAHAJJJV-UHFFFAOYSA-N 1 3 395.547 3.604 20 0 GHADHO COc1cc(Br)c(CN2CCCC[C@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC001235152585 1040646086 /nfs/dbraw/zinc/64/60/86/1040646086.db2.gz HICCZJHVOGTVNM-SFHVURJKSA-N 1 3 397.357 3.820 20 0 GHADHO FC(F)(F)Oc1ccc2[nH]c(CN3CCCC[C@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235155540 1040649751 /nfs/dbraw/zinc/64/97/51/1040649751.db2.gz LLZPDGZKUDFJQD-KRWDZBQOSA-N 1 3 382.430 3.816 20 0 GHADHO COc1ccc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)c1[O-] ZINC001235162450 1040653906 /nfs/dbraw/zinc/65/39/06/1040653906.db2.gz VPMXZQWEBVALFG-OAHLLOKOSA-N 1 3 383.330 3.517 20 0 GHADHO COc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)c1[O-] ZINC001235162450 1040653917 /nfs/dbraw/zinc/65/39/17/1040653917.db2.gz VPMXZQWEBVALFG-OAHLLOKOSA-N 1 3 383.330 3.517 20 0 GHADHO CCCC[NH+](CCCC)CCNC1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254993210 1040713914 /nfs/dbraw/zinc/71/39/14/1040713914.db2.gz MWDRWKBKSQVPPV-CWAQXLGLSA-N 1 3 387.612 3.910 20 0 GHADHO C[NH+](C)CC[C@H](NC1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC001254992880 1040714091 /nfs/dbraw/zinc/71/40/91/1040714091.db2.gz YDYNLASRKSYSDQ-WQYPUDFKSA-N 1 3 393.575 3.701 20 0 GHADHO O[C@]1(C(F)(F)F)CCCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255136420 1040838876 /nfs/dbraw/zinc/83/88/76/1040838876.db2.gz LACBTGFKUUWRFM-IYWMVGAKSA-N 1 3 382.470 3.961 20 0 GHADHO O[C@]1(C(F)(F)F)CCCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255136420 1040838879 /nfs/dbraw/zinc/83/88/79/1040838879.db2.gz LACBTGFKUUWRFM-IYWMVGAKSA-N 1 3 382.470 3.961 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@@]4(C[C@@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142060 1040850518 /nfs/dbraw/zinc/85/05/18/1040850518.db2.gz FREMXEXHBSDGOS-ZLOLNMDISA-N 1 3 396.575 3.842 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@@]4(C[C@@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142060 1040850529 /nfs/dbraw/zinc/85/05/29/1040850529.db2.gz FREMXEXHBSDGOS-ZLOLNMDISA-N 1 3 396.575 3.842 20 0 GHADHO O=C(C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1)N1CCCC1 ZINC001255145788 1040857737 /nfs/dbraw/zinc/85/77/37/1040857737.db2.gz UWKKFXUXQIOOKR-NUNAXRQHSA-N 1 3 381.564 3.516 20 0 GHADHO O=C(C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)N1CCCC1 ZINC001255145788 1040857749 /nfs/dbraw/zinc/85/77/49/1040857749.db2.gz UWKKFXUXQIOOKR-NUNAXRQHSA-N 1 3 381.564 3.516 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235366816 1040861951 /nfs/dbraw/zinc/86/19/51/1040861951.db2.gz RTXUWQNDLQTCJA-OFNKIYASSA-N 1 3 387.568 3.545 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235366816 1040861962 /nfs/dbraw/zinc/86/19/62/1040861962.db2.gz RTXUWQNDLQTCJA-OFNKIYASSA-N 1 3 387.568 3.545 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235366816 1040861976 /nfs/dbraw/zinc/86/19/76/1040861976.db2.gz RTXUWQNDLQTCJA-OFNKIYASSA-N 1 3 387.568 3.545 20 0 GHADHO c1ccc([C@@]23CC[NH2+]C[C@@H]2CN(Cc2ccc(-c4cnccn4)cc2)CC3)cc1 ZINC001235368641 1040865014 /nfs/dbraw/zinc/86/50/14/1040865014.db2.gz KFJUDNJMFVPLMM-NOZRDPDXSA-N 1 3 384.527 3.897 20 0 GHADHO CC(=O)Nc1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(C)c1 ZINC001235372807 1040880795 /nfs/dbraw/zinc/88/07/95/1040880795.db2.gz VEBYQLBMESSPKF-ISKFKSNPSA-N 1 3 377.532 3.707 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]13)C2 ZINC001255187263 1040893875 /nfs/dbraw/zinc/89/38/75/1040893875.db2.gz CCSVNMSLUXRPSP-JIKXHTODSA-N 1 3 397.563 3.639 20 0 GHADHO Cc1ccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c(OCc2ccccc2)c1 ZINC001235378347 1040896381 /nfs/dbraw/zinc/89/63/81/1040896381.db2.gz GOCPNNGHEQCHLM-CQOQZXRMSA-N 1 3 378.516 3.527 20 0 GHADHO CN(Cc1cc(Br)cc(Br)c1F)CC1CC[NH2+]CC1 ZINC001235432578 1040933427 /nfs/dbraw/zinc/93/34/27/1040933427.db2.gz LLFQYIOANLANHR-UHFFFAOYSA-N 1 3 394.126 3.782 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255381072 1040972083 /nfs/dbraw/zinc/97/20/83/1040972083.db2.gz OYRQSRMPBRYFAC-MZKRTTBSSA-N 1 3 385.552 3.640 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255381072 1040972084 /nfs/dbraw/zinc/97/20/84/1040972084.db2.gz OYRQSRMPBRYFAC-MZKRTTBSSA-N 1 3 385.552 3.640 20 0 GHADHO c1ccc(CN2CCC[C@@H]([NH2+]Cc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC001255381943 1040973173 /nfs/dbraw/zinc/97/31/73/1040973173.db2.gz ABKAYQCJACPMLR-RUZDIDTESA-N 1 3 393.575 3.663 20 0 GHADHO CC(C)N(C)Cc1nn([C@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1CCNC2 ZINC001255400763 1040986424 /nfs/dbraw/zinc/98/64/24/1040986424.db2.gz NQOZKOBOWBHOMO-NRFANRHFSA-N 1 3 395.595 3.596 20 0 GHADHO CC(C)N(C)Cc1nn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CCNC2 ZINC001255400763 1040986426 /nfs/dbraw/zinc/98/64/26/1040986426.db2.gz NQOZKOBOWBHOMO-NRFANRHFSA-N 1 3 395.595 3.596 20 0 GHADHO Clc1ccc2c(c1)nccc2N1CCN(Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001235672911 1041131448 /nfs/dbraw/zinc/13/14/48/1041131448.db2.gz JEWHBTIZQQHKNW-UHFFFAOYSA-N 1 3 398.963 3.918 20 0 GHADHO Clc1ccccc1OC1CCN(Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001235673827 1041131922 /nfs/dbraw/zinc/13/19/22/1041131922.db2.gz IEFDZOXAICAONB-UHFFFAOYSA-N 1 3 385.939 3.793 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001255592770 1041151041 /nfs/dbraw/zinc/15/10/41/1041151041.db2.gz HYILCFJUZTUGLH-LJQANCHMSA-N 1 3 391.531 3.637 20 0 GHADHO CN(CCC1CC[NH2+]CC1)Cc1cc(Br)ccc1OC(F)F ZINC001235717058 1041198480 /nfs/dbraw/zinc/19/84/80/1041198480.db2.gz CCDWCTXMBOCVQC-UHFFFAOYSA-N 1 3 377.273 3.872 20 0 GHADHO COCCN(C)[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Cl)cc1 ZINC001255677909 1041210437 /nfs/dbraw/zinc/21/04/37/1041210437.db2.gz ZUYXDLQMLXUAAH-OTYNDTSQSA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001255677909 1041210454 /nfs/dbraw/zinc/21/04/54/1041210454.db2.gz ZUYXDLQMLXUAAH-OTYNDTSQSA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001255677909 1041210456 /nfs/dbraw/zinc/21/04/56/1041210456.db2.gz ZUYXDLQMLXUAAH-OTYNDTSQSA-N 1 3 379.976 3.564 20 0 GHADHO [NH3+]CCCCCCN1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2 ZINC001235834012 1041357396 /nfs/dbraw/zinc/35/73/96/1041357396.db2.gz IGONXPBPWDHTJZ-UHFFFAOYSA-N 1 3 395.341 3.768 20 0 GHADHO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235833531 1041358129 /nfs/dbraw/zinc/35/81/29/1041358129.db2.gz GKFUPATVIUCMII-VWPQPMDRSA-N 1 3 383.580 3.628 20 0 GHADHO CCC(CC)[N@@H+]1CC[C@H](NC2CCN(Cc3c(OC)cccc3OC)CC2)C1 ZINC001255929064 1041417927 /nfs/dbraw/zinc/41/79/27/1041417927.db2.gz IFZBEHAJGQBXTC-IBGZPJMESA-N 1 3 389.584 3.521 20 0 GHADHO CCC(CC)[N@H+]1CC[C@H](NC2CCN(Cc3c(OC)cccc3OC)CC2)C1 ZINC001255929064 1041417936 /nfs/dbraw/zinc/41/79/36/1041417936.db2.gz IFZBEHAJGQBXTC-IBGZPJMESA-N 1 3 389.584 3.521 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C2 ZINC001255941418 1041429543 /nfs/dbraw/zinc/42/95/43/1041429543.db2.gz QNFYKZXDAAQOCQ-NNMXDRDESA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255954639 1041434741 /nfs/dbraw/zinc/43/47/41/1041434741.db2.gz GSEOFHDCHSXQQK-DLBZAZTESA-N 1 3 391.547 3.979 20 0 GHADHO C[C@H](Cc1cccc(Br)c1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001256177053 1041622096 /nfs/dbraw/zinc/62/20/96/1041622096.db2.gz BWNRYUYNEJQJAI-MRXNPFEDSA-N 1 3 395.385 3.861 20 0 GHADHO CN1CCC([NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC001256207404 1041649534 /nfs/dbraw/zinc/64/95/34/1041649534.db2.gz IGEJRBSVYGHGJD-UHFFFAOYSA-N 1 3 385.502 3.766 20 0 GHADHO CCOc1cc(CN(CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236551329 1041759244 /nfs/dbraw/zinc/75/92/44/1041759244.db2.gz OMESOMDWVXYQAS-WKILWMFISA-N 1 3 382.346 3.725 20 0 GHADHO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2I)C2CCC2)CC1 ZINC001236572489 1041766919 /nfs/dbraw/zinc/76/69/19/1041766919.db2.gz QFHOVJSTLVMVEI-KOMQPUFPSA-N 1 3 384.305 3.916 20 0 GHADHO COc1ccccc1CN(CCOC(=O)c1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701979 1041842286 /nfs/dbraw/zinc/84/22/86/1041842286.db2.gz VARVNPDODFIPMN-MEMLXQNLSA-N 1 3 382.504 3.624 20 0 GHADHO Cn1ncc(Br)c1CN(CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236753892 1041873360 /nfs/dbraw/zinc/87/33/60/1041873360.db2.gz ARHKXCZYQOPEGG-WKILWMFISA-N 1 3 383.378 3.835 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001236951705 1041968619 /nfs/dbraw/zinc/96/86/19/1041968619.db2.gz ZWEQYMCFEYAPIV-GOSISDBHSA-N 1 3 375.513 3.711 20 0 GHADHO Clc1ccc2c(c1)[C@@H]1CN(Cc3cccc(CN4CC[NH2+]CC4)c3)CC[C@H]1N2 ZINC001237237875 1042100827 /nfs/dbraw/zinc/10/08/27/1042100827.db2.gz YDMGPRXOZQZVIH-JTHBVZDNSA-N 1 3 396.966 3.529 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccn3nccc3c1)CC2 ZINC001237539863 1042256968 /nfs/dbraw/zinc/25/69/68/1042256968.db2.gz WUVMPTNWYGBVCI-HSZRJFAPSA-N 1 3 390.531 3.590 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccn3nccc3c1)CC2 ZINC001237539863 1042256970 /nfs/dbraw/zinc/25/69/70/1042256970.db2.gz WUVMPTNWYGBVCI-HSZRJFAPSA-N 1 3 390.531 3.590 20 0 GHADHO CC(C)(C)[C@@]1(C[NH+]2CCC3(CCNC(=O)O3)CC2)CCN(Cc2ccccc2)C1 ZINC001462630559 1070429117 /nfs/dbraw/zinc/42/91/17/1070429117.db2.gz FHTUKGCLEDUSNZ-HSZRJFAPSA-N 1 3 399.579 3.889 20 0 GHADHO CC(C)(C)[C@@]1(CN2CCC3(CCNC(=O)O3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001462630559 1070429119 /nfs/dbraw/zinc/42/91/19/1070429119.db2.gz FHTUKGCLEDUSNZ-HSZRJFAPSA-N 1 3 399.579 3.889 20 0 GHADHO CC(C)(C)[C@@]1(CN2CCC3(CCNC(=O)O3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462630559 1070429123 /nfs/dbraw/zinc/42/91/23/1070429123.db2.gz FHTUKGCLEDUSNZ-HSZRJFAPSA-N 1 3 399.579 3.889 20 0 GHADHO CN(C)CCN(C(=S)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001239460283 1042832847 /nfs/dbraw/zinc/83/28/47/1042832847.db2.gz BBNWNTUUZVIJLP-LJQANCHMSA-N 1 3 398.576 3.791 20 0 GHADHO C[C@@H]1C[C@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541684 1043494132 /nfs/dbraw/zinc/49/41/32/1043494132.db2.gz MPBPBUFEFCPZIU-TZIWHRDSSA-N 1 3 399.579 3.982 20 0 GHADHO C[C@@H]1C[C@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541684 1043494139 /nfs/dbraw/zinc/49/41/39/1043494139.db2.gz MPBPBUFEFCPZIU-TZIWHRDSSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]C3CCN(C(C)(C)C)CC3)CC[C@@H]2C1 ZINC001256554559 1043523078 /nfs/dbraw/zinc/52/30/78/1043523078.db2.gz JABVXBLZXCNPFA-ZHALLVOQSA-N 1 3 379.589 3.732 20 0 GHADHO CC(C)(C)N1CCC([NH2+]CC2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC001256566746 1043539829 /nfs/dbraw/zinc/53/98/29/1043539829.db2.gz XSUCVJKRPUGOJH-UHFFFAOYSA-N 1 3 375.532 3.530 20 0 GHADHO c1ccc(COc2ccc(C[NH2+]C3CCC(N4CCOCC4)CC3)cc2)cc1 ZINC001256679517 1043616635 /nfs/dbraw/zinc/61/66/35/1043616635.db2.gz NAXRGDTXICWYPS-UHFFFAOYSA-N 1 3 380.532 3.999 20 0 GHADHO Clc1ccccc1[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)N1CCCC1 ZINC001256677275 1043617048 /nfs/dbraw/zinc/61/70/48/1043617048.db2.gz AOMLZJXEUQIBJM-AJTFCVKESA-N 1 3 391.987 3.710 20 0 GHADHO CC1CCN(CCC[NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001256877695 1043715635 /nfs/dbraw/zinc/71/56/35/1043715635.db2.gz GHOVBZABKVUIGV-UHFFFAOYSA-N 1 3 384.490 3.781 20 0 GHADHO O=C1CN(C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CCCN1 ZINC001256930092 1043755643 /nfs/dbraw/zinc/75/56/43/1043755643.db2.gz BQQAGVJSPSLWDM-UHFFFAOYSA-N 1 3 391.559 3.822 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001257035048 1043811426 /nfs/dbraw/zinc/81/14/26/1043811426.db2.gz BIQSDYWZQQKUAS-QUCCMNQESA-N 1 3 378.944 3.873 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001257035047 1043812369 /nfs/dbraw/zinc/81/23/69/1043812369.db2.gz BIQSDYWZQQKUAS-ICSRJNTNSA-N 1 3 378.944 3.873 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]CC2CCN(Cc3cccnc3)CC2)cc1 ZINC001257153196 1043901846 /nfs/dbraw/zinc/90/18/46/1043901846.db2.gz JTCVXHAORGODCW-LJQANCHMSA-N 1 3 395.547 3.691 20 0 GHADHO CC(C)[NH+]1CCC(N2CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001257214358 1043938635 /nfs/dbraw/zinc/93/86/35/1043938635.db2.gz BXNUXDJVDNKGCH-UHFFFAOYSA-N 1 3 379.589 3.972 20 0 GHADHO COc1ccc2cc(CC[C@H](C)N3CCN(CC[NH+]4CCCC4)CC3)ccc2c1 ZINC001257284435 1043956114 /nfs/dbraw/zinc/95/61/14/1043956114.db2.gz GPKUIDLYGYZYGL-NRFANRHFSA-N 1 3 395.591 3.883 20 0 GHADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257977533 1044301715 /nfs/dbraw/zinc/30/17/15/1044301715.db2.gz SXPWYZGBIJIHLB-MISYRCLQSA-N 1 3 375.557 3.524 20 0 GHADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257977533 1044301736 /nfs/dbraw/zinc/30/17/36/1044301736.db2.gz SXPWYZGBIJIHLB-MISYRCLQSA-N 1 3 375.557 3.524 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@H]2COc3ccc(Br)cc3C2)CC1 ZINC001258008919 1044334988 /nfs/dbraw/zinc/33/49/88/1044334988.db2.gz LMRVFCADSLCPQP-OAHLLOKOSA-N 1 3 381.358 3.710 20 0 GHADHO CC(C)C[NH+]1CCC(NC[C@@H]2COc3ccc(Br)cc3C2)CC1 ZINC001258008919 1044334998 /nfs/dbraw/zinc/33/49/98/1044334998.db2.gz LMRVFCADSLCPQP-OAHLLOKOSA-N 1 3 381.358 3.710 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401555 1044540023 /nfs/dbraw/zinc/54/00/23/1044540023.db2.gz NESAXUBNTQICRO-ZFJSRUIDSA-N 1 3 386.580 3.697 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401555 1044540039 /nfs/dbraw/zinc/54/00/39/1044540039.db2.gz NESAXUBNTQICRO-ZFJSRUIDSA-N 1 3 386.580 3.697 20 0 GHADHO [NH3+]C1(Cc2cccc(F)c2)CCN(C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258416341 1044549621 /nfs/dbraw/zinc/54/96/21/1044549621.db2.gz CQEQJQVHYGNUBZ-UHFFFAOYSA-N 1 3 385.502 3.970 20 0 GHADHO C[C@@H](Cc1cccnc1)[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001258624138 1044673482 /nfs/dbraw/zinc/67/34/82/1044673482.db2.gz DXPWKOXFNMLTAI-NZQKXSOJSA-N 1 3 379.548 3.768 20 0 GHADHO CCC[C@@H](Cc1ccccc1)N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001258656872 1044696105 /nfs/dbraw/zinc/69/61/05/1044696105.db2.gz STYAIXCFRWNFQO-QFIPXVFZSA-N 1 3 396.579 3.701 20 0 GHADHO CCC[C@@H](Cc1ccccc1)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001258656872 1044696110 /nfs/dbraw/zinc/69/61/10/1044696110.db2.gz STYAIXCFRWNFQO-QFIPXVFZSA-N 1 3 396.579 3.701 20 0 GHADHO C[C@H](Cc1ccc(Cl)cc1Cl)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001258684682 1044712765 /nfs/dbraw/zinc/71/27/65/1044712765.db2.gz XQIUAXBMMWDPGR-MRXNPFEDSA-N 1 3 384.395 3.884 20 0 GHADHO C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N1CCCCCC1 ZINC001301486018 1046563416 /nfs/dbraw/zinc/56/34/16/1046563416.db2.gz IHCWJBZEPPOZRM-RBBKRZOGSA-N 1 3 383.580 3.669 20 0 GHADHO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N1CCCCCC1 ZINC001301486018 1046563430 /nfs/dbraw/zinc/56/34/30/1046563430.db2.gz IHCWJBZEPPOZRM-RBBKRZOGSA-N 1 3 383.580 3.669 20 0 GHADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3ccc(Br)cc3)C2)C1 ZINC001279143685 1047730184 /nfs/dbraw/zinc/73/01/84/1047730184.db2.gz WJOBZMQYUKDFPQ-HXUWFJFHSA-N 1 3 394.401 3.689 20 0 GHADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(F)c(Br)c3)(C1)CCC2 ZINC001279381235 1047787014 /nfs/dbraw/zinc/78/70/14/1047787014.db2.gz FMBDQSBPLIWHJG-RBUKOAKNSA-N 1 3 398.364 3.674 20 0 GHADHO Brc1cncc(CN2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001279384967 1047788818 /nfs/dbraw/zinc/78/88/18/1047788818.db2.gz NWMJRMRJOWJUOG-UHFFFAOYSA-N 1 3 389.341 3.660 20 0 GHADHO Brc1cncc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001279384967 1047788823 /nfs/dbraw/zinc/78/88/23/1047788823.db2.gz NWMJRMRJOWJUOG-UHFFFAOYSA-N 1 3 389.341 3.660 20 0 GHADHO CS[C@H](C)CC[NH+]1CCC2(CN(Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC001279485834 1047822117 /nfs/dbraw/zinc/82/21/17/1047822117.db2.gz JQMNPKZACKFSOI-QGZVFWFLSA-N 1 3 375.582 3.684 20 0 GHADHO Cc1cc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)c(C)cc1Br ZINC001280110762 1048084906 /nfs/dbraw/zinc/08/49/06/1048084906.db2.gz YIBDPTMSGJRPAU-UHFFFAOYSA-N 1 3 394.401 3.525 20 0 GHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC(C)(C)CC(C)(C)C1 ZINC001307657452 1049482413 /nfs/dbraw/zinc/48/24/13/1049482413.db2.gz APCGLEWZVGCRCQ-LJQANCHMSA-N 1 3 385.596 3.914 20 0 GHADHO CCC1(N2CCC2)CC[NH+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001308086529 1049831633 /nfs/dbraw/zinc/83/16/33/1049831633.db2.gz SPPOTKUPLPOJNL-UHFFFAOYSA-N 1 3 399.579 3.986 20 0 GHADHO CCC1([NH+]2CCC2)CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001308086529 1049831643 /nfs/dbraw/zinc/83/16/43/1049831643.db2.gz SPPOTKUPLPOJNL-UHFFFAOYSA-N 1 3 399.579 3.986 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC001308203157 1049911139 /nfs/dbraw/zinc/91/11/39/1049911139.db2.gz PUZVUVJCXLLULR-HSZRJFAPSA-N 1 3 385.596 3.796 20 0 GHADHO CC[N@H+](CCCNC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001308850090 1050123406 /nfs/dbraw/zinc/12/34/06/1050123406.db2.gz FKNGNVUCQYGSPW-XMSQKQJNSA-N 1 3 379.589 3.878 20 0 GHADHO CC[N@@H+](CCCNC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001308850090 1050123410 /nfs/dbraw/zinc/12/34/10/1050123410.db2.gz FKNGNVUCQYGSPW-XMSQKQJNSA-N 1 3 379.589 3.878 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC001308896588 1050145484 /nfs/dbraw/zinc/14/54/84/1050145484.db2.gz CJBBNXHWZLKVOS-ICSRJNTNSA-N 1 3 399.579 3.744 20 0 GHADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001312011932 1052527600 /nfs/dbraw/zinc/52/76/00/1052527600.db2.gz LNWVNAVYKZTDFQ-NHCUHLMSSA-N 1 3 386.584 3.633 20 0 GHADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001312011932 1052527606 /nfs/dbraw/zinc/52/76/06/1052527606.db2.gz LNWVNAVYKZTDFQ-NHCUHLMSSA-N 1 3 386.584 3.633 20 0 GHADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001312014305 1052530131 /nfs/dbraw/zinc/53/01/31/1052530131.db2.gz ZQYJXFCHZNWLQD-VXKWHMMOSA-N 1 3 384.568 3.530 20 0 GHADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001312014305 1052530134 /nfs/dbraw/zinc/53/01/34/1052530134.db2.gz ZQYJXFCHZNWLQD-VXKWHMMOSA-N 1 3 384.568 3.530 20 0 GHADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC001312557500 1052790128 /nfs/dbraw/zinc/79/01/28/1052790128.db2.gz LFEPESKRNOUADG-VXKWHMMOSA-N 1 3 388.600 3.516 20 0 GHADHO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001312649054 1052826269 /nfs/dbraw/zinc/82/62/69/1052826269.db2.gz TWGQJFZJYMJMGE-DHIUTWEWSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001312649054 1052826273 /nfs/dbraw/zinc/82/62/73/1052826273.db2.gz TWGQJFZJYMJMGE-DHIUTWEWSA-N 1 3 398.595 3.699 20 0 GHADHO COCCN(Cc1cn(-c2ccccc2Cl)nc1C)CC1CC[NH+](C)CC1 ZINC001474660418 1054225457 /nfs/dbraw/zinc/22/54/57/1054225457.db2.gz MDPKRZUEPQOPLW-UHFFFAOYSA-N 1 3 390.959 3.624 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001320999405 1056051369 /nfs/dbraw/zinc/05/13/69/1056051369.db2.gz KFWMVJFLJZBZHV-DEOSSOPVSA-N 1 3 393.575 3.955 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC001325497701 1057334869 /nfs/dbraw/zinc/33/48/69/1057334869.db2.gz BSIFDZRIYZTQLJ-HXUWFJFHSA-N 1 3 392.613 3.527 20 0 GHADHO COC(=O)/C=C\c1ccc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000848899387 1057406496 /nfs/dbraw/zinc/40/64/96/1057406496.db2.gz NFDIDCHPCYQAIM-HPTYGODWSA-N 1 3 382.504 3.856 20 0 GHADHO COC(=O)/C=C\c1ccc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000848899387 1057406498 /nfs/dbraw/zinc/40/64/98/1057406498.db2.gz NFDIDCHPCYQAIM-HPTYGODWSA-N 1 3 382.504 3.856 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)CC2)CC1 ZINC001326757495 1057550592 /nfs/dbraw/zinc/55/05/92/1057550592.db2.gz RKUIDZUOJJGURN-HNNXBMFYSA-N 1 3 395.950 3.853 20 0 GHADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000849062138 1057573147 /nfs/dbraw/zinc/57/31/47/1057573147.db2.gz OYJZWEPKEKTUDA-FQEVSTJZSA-N 1 3 384.499 3.503 20 0 GHADHO COc1cccc(Cl)c1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849093022 1057590995 /nfs/dbraw/zinc/59/09/95/1057590995.db2.gz FVYQMFJRUIJDRO-UHFFFAOYSA-N 1 3 386.927 3.627 20 0 GHADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001338468281 1058583622 /nfs/dbraw/zinc/58/36/22/1058583622.db2.gz QSCPKFWVEDLIQC-FQEVSTJZSA-N 1 3 393.453 3.636 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)Cc1ccccc1 ZINC001440747712 1058607518 /nfs/dbraw/zinc/60/75/18/1058607518.db2.gz RCSPVUMKNRGAKP-JOCHJYFZSA-N 1 3 392.547 3.974 20 0 GHADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC001338806023 1058797854 /nfs/dbraw/zinc/79/78/54/1058797854.db2.gz GAHPSXNSDPYQKA-QHCPKHFHSA-N 1 3 383.580 3.826 20 0 GHADHO C[C@H](NC(=O)CN1CCCC2(CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC001349390714 1063694264 /nfs/dbraw/zinc/69/42/64/1063694264.db2.gz ZJZSXAQMUSGFSB-AWEZNQCLSA-N 1 3 384.351 3.636 20 0 GHADHO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(CN2CCCCC2)o1 ZINC001464109693 1064828494 /nfs/dbraw/zinc/82/84/94/1064828494.db2.gz YRHKQYQLGCTMRT-HXUWFJFHSA-N 1 3 381.520 3.660 20 0 GHADHO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(CN2CCCCC2)o1 ZINC001464109693 1064828509 /nfs/dbraw/zinc/82/85/09/1064828509.db2.gz YRHKQYQLGCTMRT-HXUWFJFHSA-N 1 3 381.520 3.660 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(C)o2)s1 ZINC001464698763 1065162460 /nfs/dbraw/zinc/16/24/60/1065162460.db2.gz YBZIJVVGWZGWCK-QGZVFWFLSA-N 1 3 389.565 3.805 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(C)o2)s1 ZINC001464698761 1065163256 /nfs/dbraw/zinc/16/32/56/1065163256.db2.gz YBZIJVVGWZGWCK-KRWDZBQOSA-N 1 3 389.565 3.805 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001464785317 1065209704 /nfs/dbraw/zinc/20/97/04/1065209704.db2.gz BVCQQHCNUTVADV-BJKOFHAPSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001464785317 1065209714 /nfs/dbraw/zinc/20/97/14/1065209714.db2.gz BVCQQHCNUTVADV-BJKOFHAPSA-N 1 3 391.559 3.852 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(-c4ccccc4C)[nH]n3)CC2)CC1 ZINC000521642864 1067582654 /nfs/dbraw/zinc/58/26/54/1067582654.db2.gz UKMAIVSLAUOYLE-UHFFFAOYSA-N 1 3 395.551 3.520 20 0 GHADHO C[C@@]1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCCN1Cc1ccccc1 ZINC000849097620 1067725990 /nfs/dbraw/zinc/72/59/90/1067725990.db2.gz BUQNBNFZIKYLTP-OFNKIYASSA-N 1 3 378.520 3.679 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC001468950446 1067936304 /nfs/dbraw/zinc/93/63/04/1067936304.db2.gz MKBIXZCMAWUXRH-KBPBESRZSA-N 1 3 389.371 3.626 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC001468950446 1067936308 /nfs/dbraw/zinc/93/63/08/1067936308.db2.gz MKBIXZCMAWUXRH-KBPBESRZSA-N 1 3 389.371 3.626 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001469315129 1068095733 /nfs/dbraw/zinc/09/57/33/1068095733.db2.gz AENKFCVHPFWBET-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001469315129 1068095748 /nfs/dbraw/zinc/09/57/48/1068095748.db2.gz AENKFCVHPFWBET-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO CCCCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001473275613 1073902730 /nfs/dbraw/zinc/90/27/30/1073902730.db2.gz JJUBZUCDBGLLID-NRFANRHFSA-N 1 3 386.584 3.812 20 0 GHADHO CCCCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001473275613 1073902733 /nfs/dbraw/zinc/90/27/33/1073902733.db2.gz JJUBZUCDBGLLID-NRFANRHFSA-N 1 3 386.584 3.812 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cccc2c1NCCC2 ZINC001474585497 1074472406 /nfs/dbraw/zinc/47/24/06/1074472406.db2.gz VCUBXDDQXHFWAO-DHIUTWEWSA-N 1 3 379.548 3.671 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cccc2c1NCCC2 ZINC001474585497 1074472411 /nfs/dbraw/zinc/47/24/11/1074472411.db2.gz VCUBXDDQXHFWAO-DHIUTWEWSA-N 1 3 379.548 3.671 20 0 GHADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000824764202 608208038 /nfs/dbraw/zinc/20/80/38/608208038.db2.gz UIJZMUJAFJNUFW-KRWDZBQOSA-N 1 3 391.523 3.561 20 0 GHADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000824764202 608208041 /nfs/dbraw/zinc/20/80/41/608208041.db2.gz UIJZMUJAFJNUFW-KRWDZBQOSA-N 1 3 391.523 3.561 20 0 GHADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000824764202 608208042 /nfs/dbraw/zinc/20/80/42/608208042.db2.gz UIJZMUJAFJNUFW-KRWDZBQOSA-N 1 3 391.523 3.561 20 0 GHADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000824764202 608208043 /nfs/dbraw/zinc/20/80/43/608208043.db2.gz UIJZMUJAFJNUFW-KRWDZBQOSA-N 1 3 391.523 3.561 20 0 GHADHO COc1cc([C@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC(C)C ZINC000655685446 837668220 /nfs/dbraw/zinc/66/82/20/837668220.db2.gz DJVDSJMROKIVLW-FXAWDEMLSA-N 1 3 376.541 3.776 20 0 GHADHO CCCN(C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000511252431 834520427 /nfs/dbraw/zinc/52/04/27/834520427.db2.gz LEHGFZNAXNEJEF-REWPJTCUSA-N 1 3 398.595 3.723 20 0 GHADHO CCCN(C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000511252431 834520433 /nfs/dbraw/zinc/52/04/33/834520433.db2.gz LEHGFZNAXNEJEF-REWPJTCUSA-N 1 3 398.595 3.723 20 0 GHADHO C[C@@H](C(=O)N(C)c1ccccc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820956 834689518 /nfs/dbraw/zinc/68/95/18/834689518.db2.gz IAGSCGDRHYPOSA-IBGZPJMESA-N 1 3 380.536 3.671 20 0 GHADHO CC1CCN([C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)c2cccs2)CC1 ZINC000431570846 834932791 /nfs/dbraw/zinc/93/27/91/834932791.db2.gz MTYZUVUFEPPDGB-MOPGFXCFSA-N 1 3 377.598 3.902 20 0 GHADHO CC1CCN([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000431570846 834932795 /nfs/dbraw/zinc/93/27/95/834932795.db2.gz MTYZUVUFEPPDGB-MOPGFXCFSA-N 1 3 377.598 3.902 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CNC2(c3ccccc3)CCC2)CC1 ZINC000170907031 835121386 /nfs/dbraw/zinc/12/13/86/835121386.db2.gz GYCSRTRVOIDXBV-UHFFFAOYSA-N 1 3 391.559 3.745 20 0 GHADHO CCOC1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000658024587 835376794 /nfs/dbraw/zinc/37/67/94/835376794.db2.gz ZGCJDNAVGBRODE-UVKLAMSESA-N 1 3 386.580 3.853 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCS2 ZINC000658142916 835453049 /nfs/dbraw/zinc/45/30/49/835453049.db2.gz ZVSDTBWWNLGLFS-NQIIRXRSSA-N 1 3 384.545 3.589 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCS2 ZINC000658142916 835453052 /nfs/dbraw/zinc/45/30/52/835453052.db2.gz ZVSDTBWWNLGLFS-NQIIRXRSSA-N 1 3 384.545 3.589 20 0 GHADHO COCCOc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000584021108 835454321 /nfs/dbraw/zinc/45/43/21/835454321.db2.gz GTLHKJPHBZLYQY-DEOSSOPVSA-N 1 3 380.532 3.810 20 0 GHADHO COCCOc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000584021108 835454324 /nfs/dbraw/zinc/45/43/24/835454324.db2.gz GTLHKJPHBZLYQY-DEOSSOPVSA-N 1 3 380.532 3.810 20 0 GHADHO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166684 835482162 /nfs/dbraw/zinc/48/21/62/835482162.db2.gz KVIMWNAKGKSHRT-SFHVURJKSA-N 1 3 381.520 3.633 20 0 GHADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCN2CCCCC2)cc1 ZINC000612219369 835881032 /nfs/dbraw/zinc/88/10/32/835881032.db2.gz OZAMDTFDMRJCBQ-UHFFFAOYSA-N 1 3 394.563 3.700 20 0 GHADHO Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)nc1 ZINC000180167332 836101185 /nfs/dbraw/zinc/10/11/85/836101185.db2.gz BOAPDGVLFDVEQB-OEMFJLHTSA-N 1 3 390.575 3.859 20 0 GHADHO Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929671 836181045 /nfs/dbraw/zinc/18/10/45/836181045.db2.gz UYEAXKFCAOELRR-FFZOFVMBSA-N 1 3 389.902 3.597 20 0 GHADHO C[C@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000413753260 836250629 /nfs/dbraw/zinc/25/06/29/836250629.db2.gz DQSIJDUKTJKZGC-CEXWTWQISA-N 1 3 386.584 3.664 20 0 GHADHO CC(C)(C)N1CCC([NH2+]CCCN2CCN(c3ccccc3Cl)CC2)CC1 ZINC000513052774 844158251 /nfs/dbraw/zinc/15/82/51/844158251.db2.gz TXCCVSPULCPREK-UHFFFAOYSA-N 1 3 393.019 3.705 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000414307204 837016662 /nfs/dbraw/zinc/01/66/62/837016662.db2.gz OWFGYLIQAZSZRA-LJQANCHMSA-N 1 3 382.552 3.676 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000511401429 837038703 /nfs/dbraw/zinc/03/87/03/837038703.db2.gz ZURGVLZJETWFKK-BVYCBKJFSA-N 1 3 394.003 3.813 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000511401429 837038712 /nfs/dbraw/zinc/03/87/12/837038712.db2.gz ZURGVLZJETWFKK-BVYCBKJFSA-N 1 3 394.003 3.813 20 0 GHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccnc(OCC[NH+](C)C)c1 ZINC000580004477 838308142 /nfs/dbraw/zinc/30/81/42/838308142.db2.gz RQBCFJPSBFKXSV-OAQYLSRUSA-N 1 3 378.520 3.979 20 0 GHADHO CS(=O)(=O)c1cccc([C@H](N[C@H]2CC[C@@H](C[NH3+])C2)c2ccc(Cl)cc2)c1 ZINC000576389017 844358218 /nfs/dbraw/zinc/35/82/18/844358218.db2.gz PIJXFFCIAVIJPE-HEFCMCLBSA-N 1 3 392.952 3.550 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3cccc4ccccc43)CC2)CC1 ZINC000107578671 838782636 /nfs/dbraw/zinc/78/26/36/838782636.db2.gz GGDIAAPLYQRNCV-ZEQRLZLVSA-N 1 3 391.559 3.618 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000580072803 838802843 /nfs/dbraw/zinc/80/28/43/838802843.db2.gz YBPZQERMOFFZGG-UHFFFAOYSA-N 1 3 384.505 3.670 20 0 GHADHO C[C@H]1CN(Cc2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC000614385828 844393883 /nfs/dbraw/zinc/39/38/83/844393883.db2.gz KDXKELASCMMFFE-ROUUACIJSA-N 1 3 376.504 3.529 20 0 GHADHO COC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000580223416 839076866 /nfs/dbraw/zinc/07/68/66/839076866.db2.gz KUPPGXOSPXDUMG-GOTSBHOMSA-N 1 3 386.580 3.710 20 0 GHADHO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182625195 839120204 /nfs/dbraw/zinc/12/02/04/839120204.db2.gz DUOVCFSOBLMQJM-ZWKOTPCHSA-N 1 3 375.557 3.637 20 0 GHADHO Cc1cc(Br)cn2c(CN[C@H](CCC[NH3+])c3ccccc3)cnc12 ZINC000415061913 839147413 /nfs/dbraw/zinc/14/74/13/839147413.db2.gz ZDFWZKYTYGRPKW-GOSISDBHSA-N 1 3 387.325 3.975 20 0 GHADHO CCCCCOc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000415111795 839233159 /nfs/dbraw/zinc/23/31/59/839233159.db2.gz QZVYXZSRJUAPNF-NZQKXSOJSA-N 1 3 390.568 3.983 20 0 GHADHO COCc1c(C)cc(C)c(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1C ZINC000894086244 844464737 /nfs/dbraw/zinc/46/47/37/844464737.db2.gz ZWKKIPHMCHVGHM-UHFFFAOYSA-N 1 3 387.612 3.749 20 0 GHADHO CSc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000660118890 840275937 /nfs/dbraw/zinc/27/59/37/840275937.db2.gz IEKRPPYCMOTSQR-UHFFFAOYSA-N 1 3 389.609 3.613 20 0 GHADHO CCN1CCN(c2ccc(C(=O)Nc3cccc(C[NH+](CC)CC)c3)cc2)CC1 ZINC000510378488 841026498 /nfs/dbraw/zinc/02/64/98/841026498.db2.gz LQHPQIPODRABCF-UHFFFAOYSA-N 1 3 394.563 3.923 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000660338895 841450887 /nfs/dbraw/zinc/45/08/87/841450887.db2.gz MOOSPVXSVYLDFA-QUCCMNQESA-N 1 3 392.613 3.552 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000660338895 841450893 /nfs/dbraw/zinc/45/08/93/841450893.db2.gz MOOSPVXSVYLDFA-QUCCMNQESA-N 1 3 392.613 3.552 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000549542428 841605571 /nfs/dbraw/zinc/60/55/71/841605571.db2.gz FXAPCDQYQIMMJY-XLIONFOSSA-N 1 3 394.991 3.610 20 0 GHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000549542428 841605577 /nfs/dbraw/zinc/60/55/77/841605577.db2.gz FXAPCDQYQIMMJY-XLIONFOSSA-N 1 3 394.991 3.610 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000418225937 841669466 /nfs/dbraw/zinc/66/94/66/841669466.db2.gz AGCPRCSYEKZXGE-YWZLYKJASA-N 1 3 386.565 3.530 20 0 GHADHO COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1OCc1ccc(F)cc1 ZINC000119409696 841968524 /nfs/dbraw/zinc/96/85/24/841968524.db2.gz HZXBSTJHZWNVPE-LJQANCHMSA-N 1 3 384.495 3.987 20 0 GHADHO FC(F)(F)c1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166289495 842010701 /nfs/dbraw/zinc/01/07/01/842010701.db2.gz UCCGLODHLLXCPZ-RBUKOAKNSA-N 1 3 382.470 3.970 20 0 GHADHO FC(F)(F)c1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166289495 842010715 /nfs/dbraw/zinc/01/07/15/842010715.db2.gz UCCGLODHLLXCPZ-RBUKOAKNSA-N 1 3 382.470 3.970 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000684387014 842030977 /nfs/dbraw/zinc/03/09/77/842030977.db2.gz ZGKGJJJRFOISRL-HRTMPFAESA-N 1 3 384.568 3.530 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001167827035 842063978 /nfs/dbraw/zinc/06/39/78/842063978.db2.gz RRIVQMKRKWEIJC-CTAFRAEOSA-N 1 3 395.613 3.650 20 0 GHADHO COc1cc(OC)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000178040025 861296940 /nfs/dbraw/zinc/29/69/40/861296940.db2.gz CUEKLKUCJYMSGH-OAGGEKHMSA-N 1 3 384.948 3.897 20 0 GHADHO CCCOc1ccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000512182333 842804471 /nfs/dbraw/zinc/80/44/71/842804471.db2.gz RNCTZOLFBPNISZ-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO CCCOc1ccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000512182333 842804477 /nfs/dbraw/zinc/80/44/77/842804477.db2.gz RNCTZOLFBPNISZ-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO [NH3+]CCCn1ccc2cc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)ccc21 ZINC000430752334 842932445 /nfs/dbraw/zinc/93/24/45/842932445.db2.gz CBAUEGIAJCFOKA-JOCHJYFZSA-N 1 3 390.531 3.557 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3oc4ccccc4c3Br)C2)C1 ZINC000662286899 843075060 /nfs/dbraw/zinc/07/50/60/843075060.db2.gz SZFLIKRALKGZKO-VBQJREDUSA-N 1 3 393.325 3.914 20 0 GHADHO COc1ccc(Cl)c(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662326924 843155321 /nfs/dbraw/zinc/15/53/21/843155321.db2.gz HKUNUJSLGWLIDU-UHFFFAOYSA-N 1 3 388.943 3.918 20 0 GHADHO CCCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000606704172 843185709 /nfs/dbraw/zinc/18/57/09/843185709.db2.gz QLGSVPVIUHWUAV-GOTSBHOMSA-N 1 3 398.595 3.557 20 0 GHADHO CCCN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000606704172 843185716 /nfs/dbraw/zinc/18/57/16/843185716.db2.gz QLGSVPVIUHWUAV-GOTSBHOMSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCN1Cc1ccccc1 ZINC000662482230 843312591 /nfs/dbraw/zinc/31/25/91/843312591.db2.gz JTYLWWQJRJQIBG-CVDCTZTESA-N 1 3 391.559 3.802 20 0 GHADHO CC[C@H](N[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000411888226 843919295 /nfs/dbraw/zinc/91/92/95/843919295.db2.gz QFFOZDBQGQRTEY-CVDCTZTESA-N 1 3 379.548 3.897 20 0 GHADHO CN(CCOCc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000535820245 844660578 /nfs/dbraw/zinc/66/05/78/844660578.db2.gz JSHTXERZBNMVPM-UHFFFAOYSA-N 1 3 381.564 3.866 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000513390357 845341961 /nfs/dbraw/zinc/34/19/61/845341961.db2.gz OPSIDCJNRXFRES-NYVOZVTQSA-N 1 3 388.600 3.612 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000513390357 845341972 /nfs/dbraw/zinc/34/19/72/845341972.db2.gz OPSIDCJNRXFRES-NYVOZVTQSA-N 1 3 388.600 3.612 20 0 GHADHO CCC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCOCC1 ZINC000549880423 845438419 /nfs/dbraw/zinc/43/84/19/845438419.db2.gz YGEIELJDMPSIGH-JOCHJYFZSA-N 1 3 386.580 3.712 20 0 GHADHO COc1cc(CN2CCC[C@](C)(OC)C2)cc(C[N@@H+]2CCC[C@](C)(OC)C2)c1 ZINC000433181450 845618928 /nfs/dbraw/zinc/61/89/28/845618928.db2.gz JZHCKSLYQQPQEX-GOTSBHOMSA-N 1 3 390.568 3.697 20 0 GHADHO COc1cc(CN2CCC[C@](C)(OC)C2)cc(C[N@H+]2CCC[C@](C)(OC)C2)c1 ZINC000433181450 845618931 /nfs/dbraw/zinc/61/89/31/845618931.db2.gz JZHCKSLYQQPQEX-GOTSBHOMSA-N 1 3 390.568 3.697 20 0 GHADHO C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000156977751 845778984 /nfs/dbraw/zinc/77/89/84/845778984.db2.gz IZDOHCCXRDIPOS-ZWKOTPCHSA-N 1 3 397.519 3.995 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3cc4ccccc4cc3OC)CC2)CC1 ZINC000421375978 846188785 /nfs/dbraw/zinc/18/87/85/846188785.db2.gz PRCARIIQUMIPQU-UHFFFAOYSA-N 1 3 381.564 3.840 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3cc4ccccc4cc3OC)CC2)CC1 ZINC000421375978 846188792 /nfs/dbraw/zinc/18/87/92/846188792.db2.gz PRCARIIQUMIPQU-UHFFFAOYSA-N 1 3 381.564 3.840 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000072092409 846408013 /nfs/dbraw/zinc/40/80/13/846408013.db2.gz SARZMWFXSUBNHF-HSZRJFAPSA-N 1 3 379.548 3.761 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000502858151 846554134 /nfs/dbraw/zinc/55/41/34/846554134.db2.gz HOFQVFDQWWNBJQ-IRLDBZIGSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000502858151 846554141 /nfs/dbraw/zinc/55/41/41/846554141.db2.gz HOFQVFDQWWNBJQ-IRLDBZIGSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@@H](C(=O)N1CCCc2ccccc21)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045905 846570618 /nfs/dbraw/zinc/57/06/18/846570618.db2.gz OIECECOADJGZFF-IBGZPJMESA-N 1 3 392.547 3.598 20 0 GHADHO CCc1ccc([C@H](C)NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501045212 846571817 /nfs/dbraw/zinc/57/18/17/846571817.db2.gz LZABQCKAJOBKSM-IBGZPJMESA-N 1 3 394.563 3.670 20 0 GHADHO CC1CCC(N(C(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)CC1 ZINC000501050919 846578111 /nfs/dbraw/zinc/57/81/11/846578111.db2.gz MFTKRMVYIDWJKW-UHFFFAOYSA-N 1 3 398.595 3.800 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000429133441 861706908 /nfs/dbraw/zinc/70/69/08/861706908.db2.gz HLADITMNWAHLES-FQEVSTJZSA-N 1 3 382.017 3.923 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000429133441 861706926 /nfs/dbraw/zinc/70/69/26/861706926.db2.gz HLADITMNWAHLES-FQEVSTJZSA-N 1 3 382.017 3.923 20 0 GHADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000582295391 846809316 /nfs/dbraw/zinc/80/93/16/846809316.db2.gz GDRSFWQWGZNQSO-LYAKXMMSSA-N 1 3 391.515 3.942 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4sccc4CC3(C)C)CC2)CC1 ZINC000582311418 846822253 /nfs/dbraw/zinc/82/22/53/846822253.db2.gz MOJMYLZXNPGIRH-UHFFFAOYSA-N 1 3 389.609 3.608 20 0 GHADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000501778873 847179265 /nfs/dbraw/zinc/17/92/65/847179265.db2.gz VXADAWHSJHLKFS-QGZVFWFLSA-N 1 3 379.976 3.913 20 0 GHADHO CN(CCN(Cc1ccccc1)C(=O)[C@@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000237133452 847418046 /nfs/dbraw/zinc/41/80/46/847418046.db2.gz DIPLNMKARQBNLE-QHCPKHFHSA-N 1 3 391.559 3.537 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(C[C@H](OC)c3ccc(Cl)cc3)CC2)CC1 ZINC000420976535 847604831 /nfs/dbraw/zinc/60/48/31/847604831.db2.gz HFCHUNRMXYKGTQ-NRFANRHFSA-N 1 3 379.976 3.520 20 0 GHADHO CCN1CCC([N@H+]2CCCN(C[C@H](OC)c3ccc(Cl)cc3)CC2)CC1 ZINC000420976535 847604836 /nfs/dbraw/zinc/60/48/36/847604836.db2.gz HFCHUNRMXYKGTQ-NRFANRHFSA-N 1 3 379.976 3.520 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(CCOc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000420979964 847605603 /nfs/dbraw/zinc/60/56/03/847605603.db2.gz LEROGWPFBIPBJF-UHFFFAOYSA-N 1 3 399.501 3.576 20 0 GHADHO CCN1CCC([N@H+]2CCCN(CCOc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000420979964 847605607 /nfs/dbraw/zinc/60/56/07/847605607.db2.gz LEROGWPFBIPBJF-UHFFFAOYSA-N 1 3 399.501 3.576 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422715263 847792417 /nfs/dbraw/zinc/79/24/17/847792417.db2.gz RVCZFSYGODMWIB-CVAIRZPRSA-N 1 3 388.353 3.576 20 0 GHADHO Cc1cc([C@H](C)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C ZINC000502387683 847833724 /nfs/dbraw/zinc/83/37/24/847833724.db2.gz BYEWAYIULMUHKU-NSHGMRRFSA-N 1 3 384.568 3.588 20 0 GHADHO Cc1cc([C@H](C)NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C ZINC000502387683 847833736 /nfs/dbraw/zinc/83/37/36/847833736.db2.gz BYEWAYIULMUHKU-NSHGMRRFSA-N 1 3 384.568 3.588 20 0 GHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422881710 847867480 /nfs/dbraw/zinc/86/74/80/847867480.db2.gz OAMPVCQJTPFIFW-AUSIDOKSSA-N 1 3 395.547 3.962 20 0 GHADHO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422885472 847870966 /nfs/dbraw/zinc/87/09/66/847870966.db2.gz YVFQQGGNKWTTBX-RTWAWAEBSA-N 1 3 381.520 3.762 20 0 GHADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422887894 847871854 /nfs/dbraw/zinc/87/18/54/847871854.db2.gz BPRREEANNPRYEM-MOPGFXCFSA-N 1 3 380.374 3.663 20 0 GHADHO CCOCCOCc1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422870384 847874184 /nfs/dbraw/zinc/87/41/84/847874184.db2.gz YRHRRHGSXNHTCL-ISKFKSNPSA-N 1 3 396.531 3.585 20 0 GHADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000422893131 847887058 /nfs/dbraw/zinc/88/70/58/847887058.db2.gz OXWPCIRVPCKIHW-SWLSCSKDSA-N 1 3 398.370 3.977 20 0 GHADHO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CCCC[C@H]3CN)cc2)cc1 ZINC000422943907 847907779 /nfs/dbraw/zinc/90/77/79/847907779.db2.gz ZBPOMKVNRLAXSZ-NZQKXSOJSA-N 1 3 395.547 3.662 20 0 GHADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2nc(-c3ccccc3)cs2)CC[NH2+]CC1 ZINC000422957562 847915901 /nfs/dbraw/zinc/91/59/01/847915901.db2.gz NKSRGFHPXLVVSI-HZPDHXFCSA-N 1 3 387.549 3.782 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423015479 847937713 /nfs/dbraw/zinc/93/77/13/847937713.db2.gz RDKVNMHRVMWDAZ-QTJFZDIUSA-N 1 3 376.907 3.737 20 0 GHADHO Clc1ccc(CSCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423020198 847939130 /nfs/dbraw/zinc/93/91/30/847939130.db2.gz ZFQVYPAQLNFQCS-KBAYOESNSA-N 1 3 389.392 3.973 20 0 GHADHO c1ccc(COc2cccc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000423033247 847948124 /nfs/dbraw/zinc/94/81/24/847948124.db2.gz ZIFCVJUULXAWLI-TZRRMPRUSA-N 1 3 380.532 3.555 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)n1 ZINC000423071731 847963504 /nfs/dbraw/zinc/96/35/04/847963504.db2.gz ICELNYXTEWPCKS-GUDVDZBRSA-N 1 3 399.560 3.997 20 0 GHADHO CCO[C@@H](CN1CCCC2(CCC[N@H+](C[C@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434258 861874952 /nfs/dbraw/zinc/87/49/52/861874952.db2.gz LGAIBVDFPMFQQG-OJSMNCEXSA-N 1 3 378.601 3.795 20 0 GHADHO CCO[C@@H](CN1CCCC2(CCC[N@@H+](C[C@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434258 861874967 /nfs/dbraw/zinc/87/49/67/861874967.db2.gz LGAIBVDFPMFQQG-OJSMNCEXSA-N 1 3 378.601 3.795 20 0 GHADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000604184045 861905397 /nfs/dbraw/zinc/90/53/97/861905397.db2.gz FGJAWBHDFSKCAR-UNMCSNQZSA-N 1 3 386.584 3.633 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccsc1 ZINC000079097108 848835630 /nfs/dbraw/zinc/83/56/30/848835630.db2.gz YVSHSPNXVCLHEP-IBGZPJMESA-N 1 3 380.602 3.551 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423128087 849750698 /nfs/dbraw/zinc/75/06/98/849750698.db2.gz UYYYIQZUMWEXTF-GFCCVEGCSA-N 1 3 387.325 3.986 20 0 GHADHO C[C@@]1(CN[C@@H](c2cccc(Br)c2)C2CCOCC2)CCC[NH2+]C1 ZINC000423329141 849868920 /nfs/dbraw/zinc/86/89/20/849868920.db2.gz DYOCLOXUACEYKF-RTBURBONSA-N 1 3 381.358 3.896 20 0 GHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(I)cc1 ZINC000423362962 849885675 /nfs/dbraw/zinc/88/56/75/849885675.db2.gz UIOYRKAQEILWJM-GFCCVEGCSA-N 1 3 378.257 3.745 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128302 849925272 /nfs/dbraw/zinc/92/52/72/849925272.db2.gz LMDQNIXJYCOEAZ-LEWJYISDSA-N 1 3 390.547 3.525 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128302 849925277 /nfs/dbraw/zinc/92/52/77/849925277.db2.gz LMDQNIXJYCOEAZ-LEWJYISDSA-N 1 3 390.547 3.525 20 0 GHADHO CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000423474321 849939035 /nfs/dbraw/zinc/93/90/35/849939035.db2.gz ONUCSYQLOPRCEC-ACIXJAQOSA-N 1 3 376.516 3.620 20 0 GHADHO COc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423479863 849941984 /nfs/dbraw/zinc/94/19/84/849941984.db2.gz VIKLKGIEZWDQAE-XKGZKEIXSA-N 1 3 399.510 3.534 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167958499 850274007 /nfs/dbraw/zinc/27/40/07/850274007.db2.gz GAHOWQKYINMNQU-MJIXASBWSA-N 1 3 377.573 3.817 20 0 GHADHO FC(F)(F)C(F)(F)COCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000514831631 850362585 /nfs/dbraw/zinc/36/25/85/850362585.db2.gz PBLUQKMPEMEOLD-IRXDYDNUSA-N 1 3 392.412 3.655 20 0 GHADHO FC(F)(F)C(F)(F)COCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000514831631 850362591 /nfs/dbraw/zinc/36/25/91/850362591.db2.gz PBLUQKMPEMEOLD-IRXDYDNUSA-N 1 3 392.412 3.655 20 0 GHADHO C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000515054374 850632130 /nfs/dbraw/zinc/63/21/30/850632130.db2.gz FVHYSVCKKRACFG-FOIQADDNSA-N 1 3 375.513 3.889 20 0 GHADHO C[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000515054374 850632137 /nfs/dbraw/zinc/63/21/37/850632137.db2.gz FVHYSVCKKRACFG-FOIQADDNSA-N 1 3 375.513 3.889 20 0 GHADHO O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1)c1cccc(F)c1 ZINC001167975283 851775480 /nfs/dbraw/zinc/77/54/80/851775480.db2.gz NOMQGHKNTDQNOL-CKSHBVQHSA-N 1 3 399.554 3.862 20 0 GHADHO COCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000517509629 852026495 /nfs/dbraw/zinc/02/64/95/852026495.db2.gz NVKGWLVLGPWYRV-DNVJHFABSA-N 1 3 395.547 3.640 20 0 GHADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489677681 852526479 /nfs/dbraw/zinc/52/64/79/852526479.db2.gz LCSMSZUOBLSAHO-OAQYLSRUSA-N 1 3 393.575 3.878 20 0 GHADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489677681 852526483 /nfs/dbraw/zinc/52/64/83/852526483.db2.gz LCSMSZUOBLSAHO-OAQYLSRUSA-N 1 3 393.575 3.878 20 0 GHADHO O=C1N(CC2CCCC2)CCC12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167986396 853081421 /nfs/dbraw/zinc/08/14/21/853081421.db2.gz DLCAJPNTQKSHAO-AIZNXBIQSA-N 1 3 399.623 3.897 20 0 GHADHO O=C1N(CC2CCCC2)CCC12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167986396 853081428 /nfs/dbraw/zinc/08/14/28/853081428.db2.gz DLCAJPNTQKSHAO-AIZNXBIQSA-N 1 3 399.623 3.897 20 0 GHADHO O=C1N(CC2CCCC2)CCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)CC2 ZINC001167986396 853081432 /nfs/dbraw/zinc/08/14/32/853081432.db2.gz DLCAJPNTQKSHAO-AIZNXBIQSA-N 1 3 399.623 3.897 20 0 GHADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)O1 ZINC001167988123 853493684 /nfs/dbraw/zinc/49/36/84/853493684.db2.gz IENNIUCRRSGKHV-HXBIPVJWSA-N 1 3 376.585 3.686 20 0 GHADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)O1 ZINC001167988123 853493691 /nfs/dbraw/zinc/49/36/91/853493691.db2.gz IENNIUCRRSGKHV-HXBIPVJWSA-N 1 3 376.585 3.686 20 0 GHADHO CC(C)CN1c2ccccc2[C@]2(CCN(C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC001168380204 854007297 /nfs/dbraw/zinc/00/72/97/854007297.db2.gz QDXHBFZCOICKRI-XMMPIXPASA-N 1 3 381.564 3.507 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604823205 862530549 /nfs/dbraw/zinc/53/05/49/862530549.db2.gz AGMGQQPZMHPRJM-IBGZPJMESA-N 1 3 397.007 3.780 20 0 GHADHO Cc1ccc(-n2cc(C[NH2+]CCN3CCN(C)C(C)(C)C3)c(C(C)(C)C)n2)cc1 ZINC000441329652 854115232 /nfs/dbraw/zinc/11/52/32/854115232.db2.gz JLUGCXMBAYLBRU-UHFFFAOYSA-N 1 3 397.611 3.594 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995007 854429900 /nfs/dbraw/zinc/42/99/00/854429900.db2.gz TTYZGNBHCUTXPA-GURQWTFNSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995007 854429905 /nfs/dbraw/zinc/42/99/05/854429905.db2.gz TTYZGNBHCUTXPA-GURQWTFNSA-N 1 3 377.573 3.771 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000069180964 854654726 /nfs/dbraw/zinc/65/47/26/854654726.db2.gz VDASIRPOVWVTBH-HXUWFJFHSA-N 1 3 383.561 3.911 20 0 GHADHO C[C@H]1CC2(CN1Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC[NH2+]CC2 ZINC000572750173 854961691 /nfs/dbraw/zinc/96/16/91/854961691.db2.gz XFQZPKLVGWDIPS-ZDUSSCGKSA-N 1 3 380.414 3.719 20 0 GHADHO COCCCN1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000237210663 855871061 /nfs/dbraw/zinc/87/10/61/855871061.db2.gz WWAMCQQSSKJTRR-UHFFFAOYSA-N 1 3 396.579 3.816 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000591571128 856156929 /nfs/dbraw/zinc/15/69/29/856156929.db2.gz CGFOOLHIAFIRLG-XZOQPEGZSA-N 1 3 398.595 3.729 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000485219422 856230477 /nfs/dbraw/zinc/23/04/77/856230477.db2.gz ONQRHWVYXHBJAH-KEZOAJOQSA-N 1 3 390.575 3.941 20 0 GHADHO C[C@@H](C(=O)NC1CCCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485484940 856662490 /nfs/dbraw/zinc/66/24/90/856662490.db2.gz DRHHWLMOCNTHAD-FQEVSTJZSA-N 1 3 383.580 3.812 20 0 GHADHO O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000508076008 856894367 /nfs/dbraw/zinc/89/43/67/856894367.db2.gz NTTQHGMFQAUXQA-FQEVSTJZSA-N 1 3 393.522 3.526 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000181407675 862866934 /nfs/dbraw/zinc/86/69/34/862866934.db2.gz PUDKXLIISIOJFW-INIZCTEOSA-N 1 3 388.474 3.589 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000181407675 862866954 /nfs/dbraw/zinc/86/69/54/862866954.db2.gz PUDKXLIISIOJFW-INIZCTEOSA-N 1 3 388.474 3.589 20 0 GHADHO C[C@@H]1CC(NC[C@H](O)COCc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012217 857370967 /nfs/dbraw/zinc/37/09/67/857370967.db2.gz YCHOXMZGSXDHBU-REHUZNOOSA-N 1 3 382.548 3.595 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cccc(Oc3ccccn3)c2)C1 ZINC000921981756 857408798 /nfs/dbraw/zinc/40/87/98/857408798.db2.gz WNGQFBXAMWQNMP-JOCHJYFZSA-N 1 3 389.499 3.730 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cccc(Oc3ccccn3)c2)C1 ZINC000921981756 857408800 /nfs/dbraw/zinc/40/88/00/857408800.db2.gz WNGQFBXAMWQNMP-JOCHJYFZSA-N 1 3 389.499 3.730 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000061941451 857552429 /nfs/dbraw/zinc/55/24/29/857552429.db2.gz LBEUIDWXFLHPCL-JENIJYKNSA-N 1 3 380.602 3.693 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000061941451 857552440 /nfs/dbraw/zinc/55/24/40/857552440.db2.gz LBEUIDWXFLHPCL-JENIJYKNSA-N 1 3 380.602 3.693 20 0 GHADHO COc1ccc(COCC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000671723591 857556897 /nfs/dbraw/zinc/55/68/97/857556897.db2.gz XRJNAVWRLOJOLS-XMMPIXPASA-N 1 3 380.532 3.810 20 0 GHADHO COc1ccc(COCC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000671723591 857556904 /nfs/dbraw/zinc/55/69/04/857556904.db2.gz XRJNAVWRLOJOLS-XMMPIXPASA-N 1 3 380.532 3.810 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000486233002 857574718 /nfs/dbraw/zinc/57/47/18/857574718.db2.gz UWJLKMFAUYIVHN-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000486233002 857574721 /nfs/dbraw/zinc/57/47/21/857574721.db2.gz UWJLKMFAUYIVHN-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO Cc1ccc(Br)cc1[C@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000623896544 857587785 /nfs/dbraw/zinc/58/77/85/857587785.db2.gz UQOULDKHTABRFL-JKSUJKDBSA-N 1 3 381.358 3.909 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCC[NH+]2CCC(C)CC2)N2CCCC2)cc1 ZINC000064237508 857687469 /nfs/dbraw/zinc/68/74/69/857687469.db2.gz VTEXFQSYCRTFEN-QFIPXVFZSA-N 1 3 386.584 3.553 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000486476161 857774494 /nfs/dbraw/zinc/77/44/94/857774494.db2.gz ZELBHDNSXFOUPY-RBBKRZOGSA-N 1 3 398.595 3.571 20 0 GHADHO FC(F)C1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000442715701 858087253 /nfs/dbraw/zinc/08/72/53/858087253.db2.gz LRMSFOSDCSTEJQ-UHFFFAOYSA-N 1 3 379.539 3.998 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1(C)C ZINC000442878039 858198787 /nfs/dbraw/zinc/19/87/87/858198787.db2.gz SCMSXSJGMPCPLY-MRXNPFEDSA-N 1 3 398.414 3.602 20 0 GHADHO C[C@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000443098765 858377303 /nfs/dbraw/zinc/37/73/03/858377303.db2.gz YPOCIQAKRMEXOP-AVRDEDQJSA-N 1 3 387.568 3.601 20 0 GHADHO COc1cc(-c2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)ccc1OCC[NH+](C)C ZINC000443196231 858461015 /nfs/dbraw/zinc/46/10/15/858461015.db2.gz KTCYUNJGGHMQST-OAGGEKHMSA-N 1 3 388.512 3.619 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCC2([NH+](C)C)CCCC2)c2cccs2)CC1 ZINC000642630297 858507087 /nfs/dbraw/zinc/50/70/87/858507087.db2.gz UGAPDIASZVKCKX-GOSISDBHSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SCC(F)F)cc1 ZINC000482885995 858940535 /nfs/dbraw/zinc/94/05/35/858940535.db2.gz HTJALKOSMDUQNE-OAHLLOKOSA-N 1 3 399.551 3.637 20 0 GHADHO CC(C)CCOc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000543619143 859040828 /nfs/dbraw/zinc/04/08/28/859040828.db2.gz CUBJNMKRDUNMTR-UHFFFAOYSA-N 1 3 387.612 3.961 20 0 GHADHO O=C(CN1CCCC[C@H]1CCCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000443639291 859118911 /nfs/dbraw/zinc/11/89/11/859118911.db2.gz KKPXWKWUTNWVMZ-QFIPXVFZSA-N 1 3 383.580 3.607 20 0 GHADHO C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000483155396 859186518 /nfs/dbraw/zinc/18/65/18/859186518.db2.gz LTOYGSGKVWJQQA-RBBKRZOGSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000483155396 859186528 /nfs/dbraw/zinc/18/65/28/859186528.db2.gz LTOYGSGKVWJQQA-RBBKRZOGSA-N 1 3 383.580 3.764 20 0 GHADHO O[C@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)COCc1cccs1 ZINC000380759475 859279593 /nfs/dbraw/zinc/27/95/93/859279593.db2.gz XGRGCITWHWMRFN-NHCUHLMSSA-N 1 3 388.577 3.518 20 0 GHADHO O[C@H](CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759475 859279605 /nfs/dbraw/zinc/27/96/05/859279605.db2.gz XGRGCITWHWMRFN-NHCUHLMSSA-N 1 3 388.577 3.518 20 0 GHADHO O[C@H](CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759475 859279617 /nfs/dbraw/zinc/27/96/17/859279617.db2.gz XGRGCITWHWMRFN-NHCUHLMSSA-N 1 3 388.577 3.518 20 0 GHADHO COc1cccc2c1CCC[C@H]2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000194908632 859328868 /nfs/dbraw/zinc/32/88/68/859328868.db2.gz RRULDJFPLHUARX-HSZRJFAPSA-N 1 3 380.532 3.819 20 0 GHADHO COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000194908632 859328882 /nfs/dbraw/zinc/32/88/82/859328882.db2.gz RRULDJFPLHUARX-HSZRJFAPSA-N 1 3 380.532 3.819 20 0 GHADHO C[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671764123 859477429 /nfs/dbraw/zinc/47/74/29/859477429.db2.gz XMEAWENDZUPBNV-OAHLLOKOSA-N 1 3 381.476 3.857 20 0 GHADHO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000483687508 859542285 /nfs/dbraw/zinc/54/22/85/859542285.db2.gz WCUUAQMRELCTDO-ZWKOTPCHSA-N 1 3 389.565 3.619 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000764714298 859578447 /nfs/dbraw/zinc/57/84/47/859578447.db2.gz DUCUJEDUWKYORM-KNQAVFIVSA-N 1 3 377.532 3.956 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000764714298 859578454 /nfs/dbraw/zinc/57/84/54/859578454.db2.gz DUCUJEDUWKYORM-KNQAVFIVSA-N 1 3 377.532 3.956 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000483766941 859607012 /nfs/dbraw/zinc/60/70/12/859607012.db2.gz UYWVCQVRQJWMAL-WIYYLYMNSA-N 1 3 384.568 3.528 20 0 GHADHO CSc1cc2c(cc1C[NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)OCCO2 ZINC000383739426 859691458 /nfs/dbraw/zinc/69/14/58/859691458.db2.gz HFFRBVLBDVEKMD-SFHVURJKSA-N 1 3 384.545 3.791 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000765366979 859930003 /nfs/dbraw/zinc/93/00/03/859930003.db2.gz ISWUODZASVLKTI-QGZVFWFLSA-N 1 3 390.572 3.941 20 0 GHADHO C[C@@H]1CC(N[C@@H]2CCN(C(=O)c3ccccc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034095 859995255 /nfs/dbraw/zinc/99/52/55/859995255.db2.gz OOUWWKMMNIFKLK-TXTKFYIRSA-N 1 3 391.559 3.932 20 0 GHADHO C[C@H](CCC1CCCCC1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000115675739 860075181 /nfs/dbraw/zinc/07/51/81/860075181.db2.gz OSBKXBNLIXBTQQ-GOSISDBHSA-N 1 3 378.605 3.593 20 0 GHADHO C[N@H+](CCCN1CCCC1)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000499926298 860180864 /nfs/dbraw/zinc/18/08/64/860180864.db2.gz FHJYLOWWAKLXJP-QFIPXVFZSA-N 1 3 385.577 3.762 20 0 GHADHO C[N@@H+](CCCN1CCCC1)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000499926298 860180867 /nfs/dbraw/zinc/18/08/67/860180867.db2.gz FHJYLOWWAKLXJP-QFIPXVFZSA-N 1 3 385.577 3.762 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccccc3-c3ccnn3C)CC2)C[C@H](C)O1 ZINC000508961251 860283875 /nfs/dbraw/zinc/28/38/75/860283875.db2.gz ADSMQKZECVUWJO-PMACEKPBSA-N 1 3 396.579 3.798 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011438 860531358 /nfs/dbraw/zinc/53/13/58/860531358.db2.gz AWQJZWDBFNAQGK-XLIONFOSSA-N 1 3 394.991 3.706 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011438 860531367 /nfs/dbraw/zinc/53/13/67/860531367.db2.gz AWQJZWDBFNAQGK-XLIONFOSSA-N 1 3 394.991 3.706 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600068076 860885748 /nfs/dbraw/zinc/88/57/48/860885748.db2.gz MESQVWGQAJDQLZ-OFNKIYASSA-N 1 3 385.596 3.566 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600068076 860885767 /nfs/dbraw/zinc/88/57/67/860885767.db2.gz MESQVWGQAJDQLZ-OFNKIYASSA-N 1 3 385.596 3.566 20 0 GHADHO CC(C)[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000182052473 863104241 /nfs/dbraw/zinc/10/42/41/863104241.db2.gz NYSXUKOGXFZYRR-NRFANRHFSA-N 1 3 389.490 3.743 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000482551178 863297288 /nfs/dbraw/zinc/29/72/88/863297288.db2.gz BEOSJUBQUAHZLI-ICSRJNTNSA-N 1 3 381.520 3.717 20 0 GHADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000182682097 863328620 /nfs/dbraw/zinc/32/86/20/863328620.db2.gz GQVAWOZUOQEMPS-NHCUHLMSSA-N 1 3 378.582 3.508 20 0 GHADHO CC[NH+](CC)CCCC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000182782185 863353673 /nfs/dbraw/zinc/35/36/73/863353673.db2.gz LDZHDBIRYAEUOW-UHFFFAOYSA-N 1 3 390.959 3.682 20 0 GHADHO CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159030946 864014943 /nfs/dbraw/zinc/01/49/43/864014943.db2.gz KRHDSTGFXBYCOM-FQEVSTJZSA-N 1 3 386.584 3.602 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000475116205 864242572 /nfs/dbraw/zinc/24/25/72/864242572.db2.gz HVNOINYBDYHQPN-SIKLNZKXSA-N 1 3 398.595 3.918 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000554381606 864245709 /nfs/dbraw/zinc/24/57/09/864245709.db2.gz PORIXOSAPDHOKA-QFIPXVFZSA-N 1 3 398.551 3.960 20 0 GHADHO CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159215956 864423216 /nfs/dbraw/zinc/42/32/16/864423216.db2.gz VWPAWTZZDFGFHK-QHCPKHFHSA-N 1 3 394.563 3.554 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164967780 864644796 /nfs/dbraw/zinc/64/47/96/864644796.db2.gz GLVWEFSYGKFXHH-AQCRLBJHSA-N 1 3 393.641 3.858 20 0 GHADHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc(OC)c1OC ZINC000165305791 864662172 /nfs/dbraw/zinc/66/21/72/864662172.db2.gz CCEDLMBVIZCGOB-QUCCMNQESA-N 1 3 398.547 3.928 20 0 GHADHO Cc1cc2c(c(C)c1)[C@@H](NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000655710782 864840981 /nfs/dbraw/zinc/84/09/81/864840981.db2.gz FFJDTOZFUPNQEV-PKTZIBPZSA-N 1 3 391.559 3.778 20 0 GHADHO Cc1cc2c(c(C)c1)[C@@H](NCc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000655710782 864840994 /nfs/dbraw/zinc/84/09/94/864840994.db2.gz FFJDTOZFUPNQEV-PKTZIBPZSA-N 1 3 391.559 3.778 20 0 GHADHO CC[N@H+](CCC1CCN(C[C@](C)(O)C(F)(F)C(F)(F)F)CC1)CC1CC1 ZINC001168423983 865056652 /nfs/dbraw/zinc/05/66/52/865056652.db2.gz SWOMILXZZYXSQW-INIZCTEOSA-N 1 3 386.449 3.769 20 0 GHADHO CC[N@@H+](CCC1CCN(C[C@](C)(O)C(F)(F)C(F)(F)F)CC1)CC1CC1 ZINC001168423983 865056663 /nfs/dbraw/zinc/05/66/63/865056663.db2.gz SWOMILXZZYXSQW-INIZCTEOSA-N 1 3 386.449 3.769 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@@H](C)C1 ZINC000480702874 865115296 /nfs/dbraw/zinc/11/52/96/865115296.db2.gz YDKZIAMBIVRJGL-RBBKRZOGSA-N 1 3 388.600 3.545 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480719092 865159040 /nfs/dbraw/zinc/15/90/40/865159040.db2.gz XIDBMJXSJMCYBD-IFMALSPDSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480719092 865159048 /nfs/dbraw/zinc/15/90/48/865159048.db2.gz XIDBMJXSJMCYBD-IFMALSPDSA-N 1 3 383.580 3.764 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCOC2CCOCC2)cc1CN1CCCCC1 ZINC000183300678 866580163 /nfs/dbraw/zinc/58/01/63/866580163.db2.gz BOVGZVXYZRMVBG-IBGZPJMESA-N 1 3 390.568 3.917 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000523150678 866771909 /nfs/dbraw/zinc/77/19/09/866771909.db2.gz VKPLMDOPJRKTRL-DNVJHFABSA-N 1 3 398.595 3.699 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000523150678 866771912 /nfs/dbraw/zinc/77/19/12/866771912.db2.gz VKPLMDOPJRKTRL-DNVJHFABSA-N 1 3 398.595 3.699 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000553340686 867229110 /nfs/dbraw/zinc/22/91/10/867229110.db2.gz SDPLMNLWEVRDOD-JOCHJYFZSA-N 1 3 387.543 3.686 20 0 GHADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000479360782 867596932 /nfs/dbraw/zinc/59/69/32/867596932.db2.gz PMFZZKSOSDXDDX-QHCPKHFHSA-N 1 3 390.531 3.980 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000162850353 867667255 /nfs/dbraw/zinc/66/72/55/867667255.db2.gz IJYIUEIYUXZAAN-RTBURBONSA-N 1 3 394.003 3.783 20 0 GHADHO CN(C)[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccs1 ZINC000155065163 867735217 /nfs/dbraw/zinc/73/52/17/867735217.db2.gz KKVZPCSRYOHWFC-FQEVSTJZSA-N 1 3 375.557 3.787 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461372 867803330 /nfs/dbraw/zinc/80/33/30/867803330.db2.gz BTPGTLIYLNYKDV-UNMCSNQZSA-N 1 3 379.548 3.696 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461372 867803347 /nfs/dbraw/zinc/80/33/47/867803347.db2.gz BTPGTLIYLNYKDV-UNMCSNQZSA-N 1 3 379.548 3.696 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000155672109 868019313 /nfs/dbraw/zinc/01/93/13/868019313.db2.gz HSALBOVPBPZFQD-RHSMWYFYSA-N 1 3 398.414 3.602 20 0 GHADHO C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000155978179 868205304 /nfs/dbraw/zinc/20/53/04/868205304.db2.gz PCPXMYTZWBFQOC-OAHLLOKOSA-N 1 3 390.911 3.902 20 0 GHADHO Cc1cc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)s1 ZINC000156894248 868495313 /nfs/dbraw/zinc/49/53/13/868495313.db2.gz USQFYCWXDWXNEA-UZLBHIALSA-N 1 3 385.577 3.913 20 0 GHADHO Cc1cc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)s1 ZINC000156894248 868495318 /nfs/dbraw/zinc/49/53/18/868495318.db2.gz USQFYCWXDWXNEA-UZLBHIALSA-N 1 3 385.577 3.913 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000535398458 868690571 /nfs/dbraw/zinc/69/05/71/868690571.db2.gz SAEKQORJZPOVBU-VABKMULXSA-N 1 3 392.547 3.568 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000462808078 870133422 /nfs/dbraw/zinc/13/34/22/870133422.db2.gz GOEHYYAQQDHMRD-CVDCTZTESA-N 1 3 377.532 3.533 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@@H](C)O1 ZINC000538721567 870419232 /nfs/dbraw/zinc/41/92/32/870419232.db2.gz RKCHJHJDPVFGAO-WOJBJXKFSA-N 1 3 382.552 3.584 20 0 GHADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@H](c2ccc(F)cc2)CC1)c1ccccc1 ZINC001192515712 870450055 /nfs/dbraw/zinc/45/00/55/870450055.db2.gz RFZDZDKUQHIUBV-XXBNENTESA-N 1 3 397.538 3.814 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000538739590 870498138 /nfs/dbraw/zinc/49/81/38/870498138.db2.gz CEZPZPZXXJQVKS-UHFFFAOYSA-N 1 3 393.510 3.750 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000538739590 870498147 /nfs/dbraw/zinc/49/81/47/870498147.db2.gz CEZPZPZXXJQVKS-UHFFFAOYSA-N 1 3 393.510 3.750 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCS2 ZINC000248848508 870662058 /nfs/dbraw/zinc/66/20/58/870662058.db2.gz PPPODWNLOURBMP-WIYYLYMNSA-N 1 3 384.545 3.589 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCS2 ZINC000248848508 870662065 /nfs/dbraw/zinc/66/20/65/870662065.db2.gz PPPODWNLOURBMP-WIYYLYMNSA-N 1 3 384.545 3.589 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000525448092 870704852 /nfs/dbraw/zinc/70/48/52/870704852.db2.gz MZQREAKMEYWEJB-NFBKMPQASA-N 1 3 394.563 3.595 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000525448092 870704858 /nfs/dbraw/zinc/70/48/58/870704858.db2.gz MZQREAKMEYWEJB-NFBKMPQASA-N 1 3 394.563 3.595 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000540317678 870968889 /nfs/dbraw/zinc/96/88/89/870968889.db2.gz BGFHJRLWZKMZCD-HSZRJFAPSA-N 1 3 395.522 3.892 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000540317679 870970610 /nfs/dbraw/zinc/97/06/10/870970610.db2.gz BGFHJRLWZKMZCD-QHCPKHFHSA-N 1 3 395.522 3.892 20 0 GHADHO c1ccc(CCN2CCC([NH2+]C[C@@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000463134006 870979723 /nfs/dbraw/zinc/97/97/23/870979723.db2.gz GSPLXUOEUHWERP-VWLOTQADSA-N 1 3 377.576 3.948 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000897351854 871013303 /nfs/dbraw/zinc/01/33/03/871013303.db2.gz BAIGAFKDOFAJQT-LZNRXBQRSA-N 1 3 387.568 3.504 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000897351854 871013318 /nfs/dbraw/zinc/01/33/18/871013318.db2.gz BAIGAFKDOFAJQT-LZNRXBQRSA-N 1 3 387.568 3.504 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCCC4)[C@H]3c3ccco3)CC2)CC1 ZINC000617920937 871018928 /nfs/dbraw/zinc/01/89/28/871018928.db2.gz LJSLUAPMHHEKSZ-JOCHJYFZSA-N 1 3 399.579 3.920 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCCC4)[C@@H]3c3ccco3)CC2)CC1 ZINC000617920938 871019457 /nfs/dbraw/zinc/01/94/57/871019457.db2.gz LJSLUAPMHHEKSZ-QFIPXVFZSA-N 1 3 399.579 3.920 20 0 GHADHO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000090028662 871089948 /nfs/dbraw/zinc/08/99/48/871089948.db2.gz GFMLGBMZSXBXIZ-LJQANCHMSA-N 1 3 379.548 3.925 20 0 GHADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000539073347 871262208 /nfs/dbraw/zinc/26/22/08/871262208.db2.gz QUVLWFMCSMQYKI-KURKYZTESA-N 1 3 395.975 3.845 20 0 GHADHO Cc1ccc([C@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C2CCCC2)o1 ZINC000540493355 871412563 /nfs/dbraw/zinc/41/25/63/871412563.db2.gz AHUZHZXDAHSFFJ-JOCHJYFZSA-N 1 3 383.536 3.901 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000539164762 871426783 /nfs/dbraw/zinc/42/67/83/871426783.db2.gz YSLIBAMJVAACFF-MJGOQNOKSA-N 1 3 399.501 3.765 20 0 GHADHO CN(CCCN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1)Cc1ccncc1 ZINC000552359695 872515938 /nfs/dbraw/zinc/51/59/38/872515938.db2.gz NVAPRKDLXZKYMV-UHFFFAOYSA-N 1 3 394.563 3.662 20 0 GHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768209616 873145601 /nfs/dbraw/zinc/14/56/01/873145601.db2.gz RTIGVUOTOYYBOP-CEXWTWQISA-N 1 3 397.604 3.501 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000541281973 873286526 /nfs/dbraw/zinc/28/65/26/873286526.db2.gz JKMMURNUUQFVER-OAQYLSRUSA-N 1 3 391.987 3.887 20 0 GHADHO COc1cccc2c(C[NH+]3CCC(N4CCN(C(C)C)CC4)CC3)cccc12 ZINC000449038437 874379782 /nfs/dbraw/zinc/37/97/82/874379782.db2.gz UPMXGQJPPCTANF-UHFFFAOYSA-N 1 3 381.564 3.839 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449184568 874576766 /nfs/dbraw/zinc/57/67/66/874576766.db2.gz FCVHYNXEHYCZLF-ZWKOTPCHSA-N 1 3 393.503 3.556 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000449197735 874597360 /nfs/dbraw/zinc/59/73/60/874597360.db2.gz XJEUVAKJFBLGRP-GHTZIAJQSA-N 1 3 398.982 3.999 20 0 GHADHO CN1CCC[C@@H]1CC[NH+]1CCC(OCc2ccc(Br)cc2)CC1 ZINC001198778534 874627535 /nfs/dbraw/zinc/62/75/35/874627535.db2.gz GNKTYBVMCHSHCQ-GOSISDBHSA-N 1 3 381.358 3.914 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2cnc3c(Cl)cnn3c2)CC1 ZINC000449363446 874787248 /nfs/dbraw/zinc/78/72/48/874787248.db2.gz LZARQNMKXKLKTJ-KRWDZBQOSA-N 1 3 397.954 3.610 20 0 GHADHO COc1cccc(C[C@H]2CCCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000528748342 874980470 /nfs/dbraw/zinc/98/04/70/874980470.db2.gz JJNFRSAPGRTYMI-HSZRJFAPSA-N 1 3 387.612 3.898 20 0 GHADHO COc1cccc(C[C@H]2CCCCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000528748342 874980478 /nfs/dbraw/zinc/98/04/78/874980478.db2.gz JJNFRSAPGRTYMI-HSZRJFAPSA-N 1 3 387.612 3.898 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000449632158 875177328 /nfs/dbraw/zinc/17/73/28/875177328.db2.gz XIWCZYPBLZPGDP-FPOVZHCZSA-N 1 3 385.577 3.900 20 0 GHADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000542494444 882963678 /nfs/dbraw/zinc/96/36/78/882963678.db2.gz KAIGSUSLKAAAQV-VWLOTQADSA-N 1 3 395.591 3.998 20 0 GHADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000542494444 882963693 /nfs/dbraw/zinc/96/36/93/882963693.db2.gz KAIGSUSLKAAAQV-VWLOTQADSA-N 1 3 395.591 3.998 20 0 GHADHO CSc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000173402264 876364164 /nfs/dbraw/zinc/36/41/64/876364164.db2.gz NNVJZGWIVFVRED-UWJYYQICSA-N 1 3 397.588 3.957 20 0 GHADHO CSc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000173402264 876364177 /nfs/dbraw/zinc/36/41/77/876364177.db2.gz NNVJZGWIVFVRED-UWJYYQICSA-N 1 3 397.588 3.957 20 0 GHADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000192844584 883034582 /nfs/dbraw/zinc/03/45/82/883034582.db2.gz XFBCSVYNWJAQIE-UHFFFAOYSA-N 1 3 387.490 3.826 20 0 GHADHO C[C@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620813 876665953 /nfs/dbraw/zinc/66/59/53/876665953.db2.gz ZCLXUSXPGLOUJC-KLDKWKSESA-N 1 3 394.987 3.811 20 0 GHADHO C[C@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620813 876665959 /nfs/dbraw/zinc/66/59/59/876665959.db2.gz ZCLXUSXPGLOUJC-KLDKWKSESA-N 1 3 394.987 3.811 20 0 GHADHO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(CN2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620813 876665966 /nfs/dbraw/zinc/66/59/66/876665966.db2.gz ZCLXUSXPGLOUJC-KLDKWKSESA-N 1 3 394.987 3.811 20 0 GHADHO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(CN2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620813 876665973 /nfs/dbraw/zinc/66/59/73/876665973.db2.gz ZCLXUSXPGLOUJC-KLDKWKSESA-N 1 3 394.987 3.811 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC)c4ccccc34)CC2)CC1 ZINC000529933588 876860916 /nfs/dbraw/zinc/86/09/16/876860916.db2.gz YYRLEHUPAAKSKH-UHFFFAOYSA-N 1 3 395.547 3.983 20 0 GHADHO CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174189737 876888311 /nfs/dbraw/zinc/88/83/11/876888311.db2.gz ITXQKNGLNWESCH-NRFANRHFSA-N 1 3 386.584 3.555 20 0 GHADHO Ic1ccccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000850420251 876901921 /nfs/dbraw/zinc/90/19/21/876901921.db2.gz MNQJUVHRJXIOIK-UHFFFAOYSA-N 1 3 384.305 3.503 20 0 GHADHO C[N@H+](Cc1ccccc1CNC(=O)N1CC[C@H](N2CC=CC2)C1)C1CCCCC1 ZINC000174216263 876904496 /nfs/dbraw/zinc/90/44/96/876904496.db2.gz WTGBOQDTWRYPSQ-QHCPKHFHSA-N 1 3 396.579 3.607 20 0 GHADHO C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@H](N2CC=CC2)C1)C1CCCCC1 ZINC000174216263 876904510 /nfs/dbraw/zinc/90/45/10/876904510.db2.gz WTGBOQDTWRYPSQ-QHCPKHFHSA-N 1 3 396.579 3.607 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458452 876940063 /nfs/dbraw/zinc/94/00/63/876940063.db2.gz SNOSTCITTRQMTF-JPYJTQIMSA-N 1 3 380.532 3.819 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458452 876940073 /nfs/dbraw/zinc/94/00/73/876940073.db2.gz SNOSTCITTRQMTF-JPYJTQIMSA-N 1 3 380.532 3.819 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836327 876955004 /nfs/dbraw/zinc/95/50/04/876955004.db2.gz MZGCZHJNIQQLSR-SELNLUPBSA-N 1 3 392.547 3.777 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836327 876955013 /nfs/dbraw/zinc/95/50/13/876955013.db2.gz MZGCZHJNIQQLSR-SELNLUPBSA-N 1 3 392.547 3.777 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581000 877054474 /nfs/dbraw/zinc/05/44/74/877054474.db2.gz CHRIZWVSUNVSDW-JSNMRZPZSA-N 1 3 378.438 3.638 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581000 877054480 /nfs/dbraw/zinc/05/44/80/877054480.db2.gz CHRIZWVSUNVSDW-JSNMRZPZSA-N 1 3 378.438 3.638 20 0 GHADHO O=C(Nc1ccccc1)c1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530238791 877347363 /nfs/dbraw/zinc/34/73/63/877347363.db2.gz CFURWZYEVDHQSF-QHCPKHFHSA-N 1 3 393.531 3.529 20 0 GHADHO C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000175012649 877403364 /nfs/dbraw/zinc/40/33/64/877403364.db2.gz KCSWMAFZKCEWRF-HXUWFJFHSA-N 1 3 394.563 3.554 20 0 GHADHO C[C@@H](CN(C)C)[C@H]1CCCC[N@@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066416 912259294 /nfs/dbraw/zinc/25/92/94/912259294.db2.gz ZCDUDIFICZOVBA-RBUKOAKNSA-N 1 3 397.604 3.503 20 0 GHADHO C[C@@H](CN(C)C)[C@H]1CCCC[N@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066416 912259310 /nfs/dbraw/zinc/25/93/10/912259310.db2.gz ZCDUDIFICZOVBA-RBUKOAKNSA-N 1 3 397.604 3.503 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699033 877665335 /nfs/dbraw/zinc/66/53/35/877665335.db2.gz JMGXHMRUOPUCEO-CBJLPSGESA-N 1 3 385.596 3.615 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699033 877665348 /nfs/dbraw/zinc/66/53/48/877665348.db2.gz JMGXHMRUOPUCEO-CBJLPSGESA-N 1 3 385.596 3.615 20 0 GHADHO CN(C)[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000175532146 877755123 /nfs/dbraw/zinc/75/51/23/877755123.db2.gz CAELBHQRWHNJFA-QHCPKHFHSA-N 1 3 394.563 3.595 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000615621115 877928601 /nfs/dbraw/zinc/92/86/01/877928601.db2.gz KBLTYZUEVTYAPI-JOCHJYFZSA-N 1 3 388.600 3.614 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000615621115 877928616 /nfs/dbraw/zinc/92/86/16/877928616.db2.gz KBLTYZUEVTYAPI-JOCHJYFZSA-N 1 3 388.600 3.614 20 0 GHADHO CC(C)[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000788245601 877947267 /nfs/dbraw/zinc/94/72/67/877947267.db2.gz QPCHPJYXNNSQAX-NQIIRXRSSA-N 1 3 389.584 3.973 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(Cc3cccc(F)c3F)CC2)CC1 ZINC000451961563 878740348 /nfs/dbraw/zinc/74/03/48/878740348.db2.gz TURGJNJFDJTSQS-UHFFFAOYSA-N 1 3 379.539 3.635 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CC[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000853093804 878810370 /nfs/dbraw/zinc/81/03/70/878810370.db2.gz RQVMSKYYWBPEKM-FQEVSTJZSA-N 1 3 379.589 3.735 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246050800 878903404 /nfs/dbraw/zinc/90/34/04/878903404.db2.gz PNYWRXPDLJOCDW-DUXKGJEZSA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246050800 878903409 /nfs/dbraw/zinc/90/34/09/878903409.db2.gz PNYWRXPDLJOCDW-DUXKGJEZSA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000178437221 879117634 /nfs/dbraw/zinc/11/76/34/879117634.db2.gz GTILMYHFFVIGHA-SFHVURJKSA-N 1 3 386.584 3.856 20 0 GHADHO CCCCCCN(C)CC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000111559316 879255059 /nfs/dbraw/zinc/25/50/59/879255059.db2.gz PIZOWBYWJQDEDX-HXUWFJFHSA-N 1 3 387.568 3.603 20 0 GHADHO O=C(c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1)N1CCCCC1 ZINC000246489790 879616127 /nfs/dbraw/zinc/61/61/27/879616127.db2.gz HAOALKICNODXCQ-JTHBVZDNSA-N 1 3 381.564 3.761 20 0 GHADHO O=C(c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1)N1CCCCC1 ZINC000246489790 879616130 /nfs/dbraw/zinc/61/61/30/879616130.db2.gz HAOALKICNODXCQ-JTHBVZDNSA-N 1 3 381.564 3.761 20 0 GHADHO O=C1O[C@@]2(CN1CN1C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]31)C[NH+]1CCC2CC1 ZINC000790385972 879657788 /nfs/dbraw/zinc/65/77/88/879657788.db2.gz OPGAQMZYXCBPTD-JVNMPXIPSA-N 1 3 395.547 3.519 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000493966371 879782941 /nfs/dbraw/zinc/78/29/41/879782941.db2.gz AEMRLFKNLMQCMB-HYBUGGRVSA-N 1 3 381.564 3.690 20 0 GHADHO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000461425904 879786012 /nfs/dbraw/zinc/78/60/12/879786012.db2.gz NUEZVUWPRSLAAN-QPPBQGQZSA-N 1 3 397.607 3.664 20 0 GHADHO C[C@H](NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000184749543 880373136 /nfs/dbraw/zinc/37/31/36/880373136.db2.gz LTMVEAJUALDNIS-BZSNNMDCSA-N 1 3 385.577 3.672 20 0 GHADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185505630 880603328 /nfs/dbraw/zinc/60/33/28/880603328.db2.gz JPTGHMKGMSETQR-YYZRRKBYSA-N 1 3 375.523 3.846 20 0 GHADHO CCCCCOc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1OC ZINC000532016124 880931319 /nfs/dbraw/zinc/93/13/19/880931319.db2.gz SQBGFQYBOSGSTL-SFTDATJTSA-N 1 3 390.568 3.732 20 0 GHADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C ZINC000453467758 880974734 /nfs/dbraw/zinc/97/47/34/880974734.db2.gz ZDERCSKSQNOOGE-VPBXCIAMSA-N 1 3 378.560 3.992 20 0 GHADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC000453467758 880974751 /nfs/dbraw/zinc/97/47/51/880974751.db2.gz ZDERCSKSQNOOGE-VPBXCIAMSA-N 1 3 378.560 3.992 20 0 GHADHO Cc1cc(Cl)ccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910518 883349939 /nfs/dbraw/zinc/34/99/39/883349939.db2.gz FNMLWOMEZINNAN-IBGZPJMESA-N 1 3 394.906 3.887 20 0 GHADHO Cc1cc(Cl)ccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910518 883349951 /nfs/dbraw/zinc/34/99/51/883349951.db2.gz FNMLWOMEZINNAN-IBGZPJMESA-N 1 3 394.906 3.887 20 0 GHADHO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000476949433 883428997 /nfs/dbraw/zinc/42/89/97/883428997.db2.gz FJVNYWGSZRTZMQ-WMZHIEFXSA-N 1 3 394.563 3.773 20 0 GHADHO CC1(C)C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C(C)(C)O1 ZINC000551263752 883572478 /nfs/dbraw/zinc/57/24/78/883572478.db2.gz DNWWROCANQGSAR-NHCUHLMSSA-N 1 3 386.580 3.851 20 0 GHADHO Cc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc1Cl ZINC001211911251 883639277 /nfs/dbraw/zinc/63/92/77/883639277.db2.gz PTDFURAODCQJKU-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc1Cl ZINC001211911251 883639291 /nfs/dbraw/zinc/63/92/91/883639291.db2.gz PTDFURAODCQJKU-GOSISDBHSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1nnc([C@@H](C)NCC[Si](C)(C)CC[NH2+][C@H](C)c2nnc(C)s2)s1 ZINC000859253153 883695232 /nfs/dbraw/zinc/69/52/32/883695232.db2.gz RBSCAMLSNQCFQV-VXGBXAGGSA-N 1 3 398.678 3.716 20 0 GHADHO C[Si](C)(CCN1CCc2ncsc2C1)CC[N@@H+]1CCc2ncsc2C1 ZINC000859269428 883708913 /nfs/dbraw/zinc/70/89/13/883708913.db2.gz BAHLICJBDBVEEH-UHFFFAOYSA-N 1 3 392.670 3.724 20 0 GHADHO C[Si](C)(CCN1CCc2ncsc2C1)CC[N@H+]1CCc2ncsc2C1 ZINC000859269428 883708917 /nfs/dbraw/zinc/70/89/17/883708917.db2.gz BAHLICJBDBVEEH-UHFFFAOYSA-N 1 3 392.670 3.724 20 0 GHADHO C[Si](C)(CCN1CCC[C@H]1c1cc[nH]n1)CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000859282455 883716201 /nfs/dbraw/zinc/71/62/01/883716201.db2.gz IADJCWBJHQKIID-PMACEKPBSA-N 1 3 386.620 3.815 20 0 GHADHO C[Si](C)(CCN1CCC[C@H]1c1cc[nH]n1)CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000859282455 883716211 /nfs/dbraw/zinc/71/62/11/883716211.db2.gz IADJCWBJHQKIID-PMACEKPBSA-N 1 3 386.620 3.815 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)N2CCCC2)cc1 ZINC000194686100 883894743 /nfs/dbraw/zinc/89/47/43/883894743.db2.gz CQDFAUCNTODUKV-QHCPKHFHSA-N 1 3 398.595 3.649 20 0 GHADHO c1nnc([C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C2CCCCC2)[nH]1 ZINC000495065361 884468080 /nfs/dbraw/zinc/46/80/80/884468080.db2.gz ZLLJPZJDJIHNSV-NRFANRHFSA-N 1 3 383.540 3.691 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC000428548039 884606711 /nfs/dbraw/zinc/60/67/11/884606711.db2.gz DPBHOGBYXQURHD-QHCPKHFHSA-N 1 3 395.547 3.737 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC000428548039 884606718 /nfs/dbraw/zinc/60/67/18/884606718.db2.gz DPBHOGBYXQURHD-QHCPKHFHSA-N 1 3 395.547 3.737 20 0 GHADHO CC1CC[NH+](C[C@H]2CCCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)CC1 ZINC000556496740 885148994 /nfs/dbraw/zinc/14/89/94/885148994.db2.gz DNSYVLLUWDNKEZ-JWQCQUIFSA-N 1 3 399.623 3.721 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccc(C4CCC4)nn3)c3ccccc23)CC1 ZINC001170526934 885523058 /nfs/dbraw/zinc/52/30/58/885523058.db2.gz ZDNAMLGOCHNRJC-UHFFFAOYSA-N 1 3 375.520 3.654 20 0 GHADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678819 885850629 /nfs/dbraw/zinc/85/06/29/885850629.db2.gz UYOGEDXTXKWISV-VSKRKVRLSA-N 1 3 397.563 3.732 20 0 GHADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678819 885850642 /nfs/dbraw/zinc/85/06/42/885850642.db2.gz UYOGEDXTXKWISV-VSKRKVRLSA-N 1 3 397.563 3.732 20 0 GHADHO Clc1ccccc1CN1CCC(C[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000532514644 885910997 /nfs/dbraw/zinc/91/09/97/885910997.db2.gz JSBFASJJMRVEFT-UHFFFAOYSA-N 1 3 399.970 3.601 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862229996 886227506 /nfs/dbraw/zinc/22/75/06/886227506.db2.gz VNHBCPGQAFXJTR-QGZVFWFLSA-N 1 3 389.531 3.683 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862229996 886227527 /nfs/dbraw/zinc/22/75/27/886227527.db2.gz VNHBCPGQAFXJTR-QGZVFWFLSA-N 1 3 389.531 3.683 20 0 GHADHO COC(=O)c1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(C)c1C ZINC000556885100 886458238 /nfs/dbraw/zinc/45/82/38/886458238.db2.gz UWRPSORCRYBMEU-UHFFFAOYSA-N 1 3 395.547 3.608 20 0 GHADHO C[C@@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000125178425 886835584 /nfs/dbraw/zinc/83/55/84/886835584.db2.gz HAEHQKXRCTWRHO-QZTJIDSGSA-N 1 3 376.508 3.539 20 0 GHADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000237901364 887004830 /nfs/dbraw/zinc/00/48/30/887004830.db2.gz LNOPHULPFAGFLL-WOJBJXKFSA-N 1 3 375.582 3.514 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000105123991 887694438 /nfs/dbraw/zinc/69/44/38/887694438.db2.gz AGSFHISZEOARAI-MJGOQNOKSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000105123991 887694442 /nfs/dbraw/zinc/69/44/42/887694442.db2.gz AGSFHISZEOARAI-MJGOQNOKSA-N 1 3 380.602 3.551 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000054719175 888034330 /nfs/dbraw/zinc/03/43/30/888034330.db2.gz YSPGIVWSDZCPTG-UNMCSNQZSA-N 1 3 386.584 3.633 20 0 GHADHO C[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001170594540 888070696 /nfs/dbraw/zinc/07/06/96/888070696.db2.gz UIWQIWQXMNXDEA-DNQXCXABSA-N 1 3 378.564 3.642 20 0 GHADHO C[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001170594540 888070710 /nfs/dbraw/zinc/07/07/10/888070710.db2.gz UIWQIWQXMNXDEA-DNQXCXABSA-N 1 3 378.564 3.642 20 0 GHADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000670262234 888268353 /nfs/dbraw/zinc/26/83/53/888268353.db2.gz LKOBGGYEAXWQDR-UHFFFAOYSA-N 1 3 381.568 3.972 20 0 GHADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001184451197 913229433 /nfs/dbraw/zinc/22/94/33/913229433.db2.gz OILAMIRFABZVEJ-FCHUYYIVSA-N 1 3 379.548 3.602 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717920 888794291 /nfs/dbraw/zinc/79/42/91/888794291.db2.gz GDKLKOLJPPAQSU-WMZHIEFXSA-N 1 3 389.559 3.616 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717920 888794298 /nfs/dbraw/zinc/79/42/98/888794298.db2.gz GDKLKOLJPPAQSU-WMZHIEFXSA-N 1 3 389.559 3.616 20 0 GHADHO COc1cccc([C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)N(C)C)c1 ZINC000121713642 889099971 /nfs/dbraw/zinc/09/99/71/889099971.db2.gz XSFRDFYNVBYOLR-XMMPIXPASA-N 1 3 381.564 3.595 20 0 GHADHO COc1cccc([C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)N(C)C)c1 ZINC000121713642 889099984 /nfs/dbraw/zinc/09/99/84/889099984.db2.gz XSFRDFYNVBYOLR-XMMPIXPASA-N 1 3 381.564 3.595 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868183814 889340495 /nfs/dbraw/zinc/34/04/95/889340495.db2.gz CYDKRDMBVZSSAT-FCHUYYIVSA-N 1 3 378.520 3.630 20 0 GHADHO O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000644554425 913361511 /nfs/dbraw/zinc/36/15/11/913361511.db2.gz PMOVOQDREBYVEO-USYVTKNRSA-N 1 3 382.470 3.723 20 0 GHADHO C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2F)[C@H]1c1cccs1 ZINC000644573950 913374304 /nfs/dbraw/zinc/37/43/04/913374304.db2.gz BDGLXVOPHDQKCK-YWZLYKJASA-N 1 3 375.513 3.889 20 0 GHADHO C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2F)[C@H]1c1cccs1 ZINC000644573950 913374323 /nfs/dbraw/zinc/37/43/23/913374323.db2.gz BDGLXVOPHDQKCK-YWZLYKJASA-N 1 3 375.513 3.889 20 0 GHADHO CCN1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000063917612 889798849 /nfs/dbraw/zinc/79/88/49/889798849.db2.gz FNKSYBMJFMSGFG-IBGZPJMESA-N 1 3 375.520 3.756 20 0 GHADHO C[C@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000465538265 890192189 /nfs/dbraw/zinc/19/21/89/890192189.db2.gz GTNGVKOBERWILB-QHAWAJNXSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000465538265 890192192 /nfs/dbraw/zinc/19/21/92/890192192.db2.gz GTNGVKOBERWILB-QHAWAJNXSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3nccc4c3CCN4)c3nccc2-3)cc1 ZINC001170665265 890407787 /nfs/dbraw/zinc/40/77/87/890407787.db2.gz HJFNWQMVEBWHBV-CQSZACIVSA-N 1 3 398.470 3.612 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000455236243 890571683 /nfs/dbraw/zinc/57/16/83/890571683.db2.gz YDKKTPQQKRXLSC-HXUWFJFHSA-N 1 3 394.563 3.777 20 0 GHADHO c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCCC2 ZINC000126710770 890659777 /nfs/dbraw/zinc/65/97/77/890659777.db2.gz VEBKRJFYOLNPHA-MBSDFSHPSA-N 1 3 384.564 3.870 20 0 GHADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC001137056846 891153930 /nfs/dbraw/zinc/15/39/30/891153930.db2.gz IBLBBPAKVPMYNK-BJKOFHAPSA-N 1 3 393.575 3.878 20 0 GHADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC001137056846 891153934 /nfs/dbraw/zinc/15/39/34/891153934.db2.gz IBLBBPAKVPMYNK-BJKOFHAPSA-N 1 3 393.575 3.878 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000248431400 891435965 /nfs/dbraw/zinc/43/59/65/891435965.db2.gz XMIQXUBFQDYFAN-GCJKJVERSA-N 1 3 383.561 3.830 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000248431400 891435975 /nfs/dbraw/zinc/43/59/75/891435975.db2.gz XMIQXUBFQDYFAN-GCJKJVERSA-N 1 3 383.561 3.830 20 0 GHADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1)c1ccccc1 ZINC000873212243 891525340 /nfs/dbraw/zinc/52/53/40/891525340.db2.gz XHRXNMAYTDDNMY-OAQYLSRUSA-N 1 3 397.588 3.668 20 0 GHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243245 891545653 /nfs/dbraw/zinc/54/56/53/891545653.db2.gz KDUXRUIGGZOEQY-JOCHJYFZSA-N 1 3 386.503 3.683 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1cccc(C(F)(F)F)c1 ZINC000873247352 891548647 /nfs/dbraw/zinc/54/86/47/891548647.db2.gz LJMSKCZUELOHEN-ZDUSSCGKSA-N 1 3 375.398 3.596 20 0 GHADHO O=C(NC[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261774999 892108278 /nfs/dbraw/zinc/10/82/78/892108278.db2.gz GYYJXXFUQYIQGS-GDBMZVCRSA-N 1 3 391.968 3.635 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000128661446 892234667 /nfs/dbraw/zinc/23/46/67/892234667.db2.gz IZTRTKGQMCHKMQ-CRAIPNDOSA-N 1 3 381.948 3.776 20 0 GHADHO CC(C)CN1CCC([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000379925277 892608034 /nfs/dbraw/zinc/60/80/34/892608034.db2.gz PYWMKHLGQFHAFH-UHFFFAOYSA-N 1 3 375.557 3.921 20 0 GHADHO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000508709215 892802411 /nfs/dbraw/zinc/80/24/11/892802411.db2.gz GQOPFFKNXBISKH-HFMPRLQTSA-N 1 3 377.576 3.933 20 0 GHADHO C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508715730 892866005 /nfs/dbraw/zinc/86/60/05/892866005.db2.gz XMECKOVPUAWEAE-AEFFLSMTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1cccc(C(F)(F)F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715730 892866020 /nfs/dbraw/zinc/86/60/20/892866020.db2.gz XMECKOVPUAWEAE-AEFFLSMTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1cccc(C(F)(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715730 892866034 /nfs/dbraw/zinc/86/60/34/892866034.db2.gz XMECKOVPUAWEAE-AEFFLSMTSA-N 1 3 393.453 3.979 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000129148814 893105507 /nfs/dbraw/zinc/10/55/07/893105507.db2.gz MUCQXJHVVNSYNM-RDTXWAMCSA-N 1 3 387.337 3.815 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@@H](C)C1 ZINC000459411034 893472825 /nfs/dbraw/zinc/47/28/25/893472825.db2.gz IOKLWLUMBRYSBP-MAUKXSAKSA-N 1 3 390.597 3.808 20 0 GHADHO C[NH+](C)CCOC1CCN(Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000536676947 893520461 /nfs/dbraw/zinc/52/04/61/893520461.db2.gz PBCHTOSNMFZGIZ-UHFFFAOYSA-N 1 3 398.595 3.772 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3csc4ccccc34)CC2)CC1 ZINC000563376724 893680235 /nfs/dbraw/zinc/68/02/35/893680235.db2.gz LRYRZLSSELGGQH-UHFFFAOYSA-N 1 3 385.577 3.714 20 0 GHADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746583 893785459 /nfs/dbraw/zinc/78/54/59/893785459.db2.gz RZSOGQZWCCUQSK-VKAVYKQESA-N 1 3 381.486 3.821 20 0 GHADHO C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000536836459 893908885 /nfs/dbraw/zinc/90/88/85/893908885.db2.gz AUDYHLOSOSMDHC-LAUBAEHRSA-N 1 3 399.510 3.612 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3c2cccc3Br)C[C@@H](C)O1 ZINC000537016600 894195775 /nfs/dbraw/zinc/19/57/75/894195775.db2.gz PQQXCUFXLNMQGT-CLCXKQKWSA-N 1 3 381.358 3.915 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)CCC[NH+]2CCCC2)c2cccs2)CC1 ZINC000537398826 894900844 /nfs/dbraw/zinc/90/08/44/894900844.db2.gz OMAOQBVBLCGDCN-LJQANCHMSA-N 1 3 392.613 3.648 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000565171733 895437032 /nfs/dbraw/zinc/43/70/32/895437032.db2.gz LYYISDAPQQXRBB-KRWDZBQOSA-N 1 3 375.532 3.541 20 0 GHADHO O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1C(F)(F)F ZINC000817890619 895930994 /nfs/dbraw/zinc/93/09/94/895930994.db2.gz VLRUEOYATNRDRB-GGPKGHCWSA-N 1 3 392.421 3.584 20 0 GHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000817947667 895973379 /nfs/dbraw/zinc/97/33/79/895973379.db2.gz FDSAIKIMYBEMJQ-QGZVFWFLSA-N 1 3 386.561 3.755 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)CC1 ZINC000566443479 896315310 /nfs/dbraw/zinc/31/53/10/896315310.db2.gz TVSSXFBOSRVOGC-UHFFFAOYSA-N 1 3 396.535 3.840 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc(Cl)nc1)CC2 ZINC001137165611 896320518 /nfs/dbraw/zinc/32/05/18/896320518.db2.gz QLTXYDBWGRCGNN-FQEVSTJZSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc(Cl)nc1)CC2 ZINC001137165611 896320524 /nfs/dbraw/zinc/32/05/24/896320524.db2.gz QLTXYDBWGRCGNN-FQEVSTJZSA-N 1 3 385.939 3.991 20 0 GHADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819016411 896350852 /nfs/dbraw/zinc/35/08/52/896350852.db2.gz YVYZKKIKGTYYGR-NQIIRXRSSA-N 1 3 392.465 3.893 20 0 GHADHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000881626918 896399859 /nfs/dbraw/zinc/39/98/59/896399859.db2.gz SEMYZAROGIFJRY-QFIPXVFZSA-N 1 3 398.595 3.551 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819283558 896527209 /nfs/dbraw/zinc/52/72/09/896527209.db2.gz KZCMLVSTYYMOLZ-VWNXMTODSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819283558 896527219 /nfs/dbraw/zinc/52/72/19/896527219.db2.gz KZCMLVSTYYMOLZ-VWNXMTODSA-N 1 3 382.548 3.545 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000567176553 896940495 /nfs/dbraw/zinc/94/04/95/896940495.db2.gz IHMBRZLMAUSPJT-MRXNPFEDSA-N 1 3 393.522 3.681 20 0 GHADHO FC(F)(F)c1cnc(NCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000567642346 897307138 /nfs/dbraw/zinc/30/71/38/897307138.db2.gz KLWYKMDPOFRUEM-BPLDGKMQSA-N 1 3 376.854 3.676 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3cccs3)C3CC3)CC2)CC1 ZINC000568184211 897659660 /nfs/dbraw/zinc/65/96/60/897659660.db2.gz OMGLTHNTLCRARL-FQEVSTJZSA-N 1 3 375.582 3.512 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccccc3CN(C)C)C2)s1 ZINC000568403425 897809427 /nfs/dbraw/zinc/80/94/27/897809427.db2.gz YRAYZZJPEOJIDP-GOSISDBHSA-N 1 3 385.577 3.712 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccccc3CN(C)C)C2)s1 ZINC000568403425 897809438 /nfs/dbraw/zinc/80/94/38/897809438.db2.gz YRAYZZJPEOJIDP-GOSISDBHSA-N 1 3 385.577 3.712 20 0 GHADHO CCCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCc2ncsc2C1 ZINC000646130017 914275646 /nfs/dbraw/zinc/27/56/46/914275646.db2.gz JJTXRXHGSAKQER-LJQANCHMSA-N 1 3 378.630 3.519 20 0 GHADHO CCCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCc2ncsc2C1 ZINC000646130017 914275664 /nfs/dbraw/zinc/27/56/64/914275664.db2.gz JJTXRXHGSAKQER-LJQANCHMSA-N 1 3 378.630 3.519 20 0 GHADHO Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569482031 898700695 /nfs/dbraw/zinc/70/06/95/898700695.db2.gz XFINJIUARLIOCG-YSSFQJQWSA-N 1 3 389.902 3.597 20 0 GHADHO c1cncc([C@@H]2CCN(Cc3cncc(C[N@@H+]4CC[C@@H](c5cccnc5)C4)c3)C2)c1 ZINC000569807452 898963856 /nfs/dbraw/zinc/96/38/56/898963856.db2.gz GXMKYLOJTXRSLL-JWQCQUIFSA-N 1 3 399.542 3.851 20 0 GHADHO c1cncc([C@@H]2CCN(Cc3cncc(C[N@H+]4CC[C@@H](c5cccnc5)C4)c3)C2)c1 ZINC000569807452 898963865 /nfs/dbraw/zinc/96/38/65/898963865.db2.gz GXMKYLOJTXRSLL-JWQCQUIFSA-N 1 3 399.542 3.851 20 0 GHADHO Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929676 899029058 /nfs/dbraw/zinc/02/90/58/899029058.db2.gz UYEAXKFCAOELRR-LSTHTHJFSA-N 1 3 389.902 3.597 20 0 GHADHO Cc1cccc(N2CC[NH+](CCCCNCc3ccnc(Cl)c3F)CC2)c1 ZINC000823630541 899142820 /nfs/dbraw/zinc/14/28/20/899142820.db2.gz LKSAHZSSDVSOAG-UHFFFAOYSA-N 1 3 390.934 3.875 20 0 GHADHO FC(F)(F)c1cnc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001137022181 900101709 /nfs/dbraw/zinc/10/17/09/900101709.db2.gz VBSGWJVFBYSPCB-IAGOWNOFSA-N 1 3 378.442 3.773 20 0 GHADHO FC(F)(F)c1cnc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001137022181 900101714 /nfs/dbraw/zinc/10/17/14/900101714.db2.gz VBSGWJVFBYSPCB-IAGOWNOFSA-N 1 3 378.442 3.773 20 0 GHADHO CN1CC[NH+](C2CCN([C@H]3CCc4cc(Cl)cc(Cl)c4C3)CC2)CC1 ZINC001171082786 900115286 /nfs/dbraw/zinc/11/52/86/900115286.db2.gz NJEIRTHGVCBEII-SFHVURJKSA-N 1 3 382.379 3.563 20 0 GHADHO CN(C)C1(C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000843898218 900303093 /nfs/dbraw/zinc/30/30/93/900303093.db2.gz DXGWOIXKHCIHDQ-NRFANRHFSA-N 1 3 383.580 3.620 20 0 GHADHO C[N@@H+]1CCC[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001186354997 914473604 /nfs/dbraw/zinc/47/36/04/914473604.db2.gz STJGRCQSKAZSMT-BJKOFHAPSA-N 1 3 391.559 3.632 20 0 GHADHO C[N@H+]1CCC[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001186354997 914473609 /nfs/dbraw/zinc/47/36/09/914473609.db2.gz STJGRCQSKAZSMT-BJKOFHAPSA-N 1 3 391.559 3.632 20 0 GHADHO COCCOCc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000290081951 914513638 /nfs/dbraw/zinc/51/36/38/914513638.db2.gz IYYZKIWXPAMFFF-UHFFFAOYSA-N 1 3 398.547 3.612 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177035 901197649 /nfs/dbraw/zinc/19/76/49/901197649.db2.gz ILDHUQZBBAMXGK-VLCRHTCISA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177035 901197652 /nfs/dbraw/zinc/19/76/52/901197652.db2.gz ILDHUQZBBAMXGK-VLCRHTCISA-N 1 3 375.520 3.690 20 0 GHADHO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cn1 ZINC000886638216 901202545 /nfs/dbraw/zinc/20/25/45/901202545.db2.gz OCBVAYOQYGVNEN-SMQFJCFBSA-N 1 3 378.564 3.774 20 0 GHADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)O2 ZINC000886769038 901262015 /nfs/dbraw/zinc/26/20/15/901262015.db2.gz NXONZCDQWNZYOX-DTCVMKOCSA-N 1 3 384.564 3.602 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCCCNC1 ZINC000576219360 901829083 /nfs/dbraw/zinc/82/90/83/901829083.db2.gz YWALNQABPPMKDE-DGCLKSJQSA-N 1 3 377.838 3.808 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCC2 ZINC000846063452 902678389 /nfs/dbraw/zinc/67/83/89/902678389.db2.gz HNHDDBVAZCHTRH-OALUTQOASA-N 1 3 377.573 3.819 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000577364095 902715739 /nfs/dbraw/zinc/71/57/39/902715739.db2.gz VSLWOJQUMBJSBG-IBGZPJMESA-N 1 3 380.964 3.506 20 0 GHADHO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000600727471 902850061 /nfs/dbraw/zinc/85/00/61/902850061.db2.gz IWPKEUQXXUHSOB-UHFFFAOYSA-N 1 3 394.600 3.636 20 0 GHADHO CC(C)(C)OC(=O)C1CCC(O)(CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000600727471 902850074 /nfs/dbraw/zinc/85/00/74/902850074.db2.gz IWPKEUQXXUHSOB-UHFFFAOYSA-N 1 3 394.600 3.636 20 0 GHADHO C[C@@H](C(=O)N1CCC(CC[NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000601044851 903263286 /nfs/dbraw/zinc/26/32/86/903263286.db2.gz XAIBFFJOSINZTC-FQEVSTJZSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000779047995 903534959 /nfs/dbraw/zinc/53/49/59/903534959.db2.gz HJCFQSZMALIIGR-SFTDATJTSA-N 1 3 387.568 3.540 20 0 GHADHO C[C@@H]1C[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000779073167 903903376 /nfs/dbraw/zinc/90/33/76/903903376.db2.gz LJFOFKYGSUYEBO-AYWYSENESA-N 1 3 387.568 3.852 20 0 GHADHO C[C@@H]1C[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000779073167 903903392 /nfs/dbraw/zinc/90/33/92/903903392.db2.gz LJFOFKYGSUYEBO-AYWYSENESA-N 1 3 387.568 3.852 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716638534 904695425 /nfs/dbraw/zinc/69/54/25/904695425.db2.gz PJOYUXRPKFTVOX-KGWSWXIGSA-N 1 3 399.579 3.932 20 0 GHADHO FC(F)(F)CN1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716721294 904698482 /nfs/dbraw/zinc/69/84/82/904698482.db2.gz ZWUJMXWADYSULA-MUGJNUQGSA-N 1 3 381.486 3.513 20 0 GHADHO CN1C(C)(C)CC([NH2+]CC[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1(C)C ZINC001171614482 904877672 /nfs/dbraw/zinc/87/76/72/904877672.db2.gz ZAROORDQLINTKS-NNZMDNLPSA-N 1 3 379.589 3.730 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CN1Cc1ccccc1 ZINC001171737542 905022073 /nfs/dbraw/zinc/02/20/73/905022073.db2.gz BUMSXTCWYHMQIP-GBXCKJPGSA-N 1 3 378.564 3.546 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@H]2C1 ZINC001171863283 905111512 /nfs/dbraw/zinc/11/15/12/905111512.db2.gz WPLHSVUCGOHDKK-QRVBRYPASA-N 1 3 377.573 3.582 20 0 GHADHO O[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061129 905266623 /nfs/dbraw/zinc/26/66/23/905266623.db2.gz FRJFVCPDKXQIRQ-GPJHCHHRSA-N 1 3 380.532 3.602 20 0 GHADHO O[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061129 905266643 /nfs/dbraw/zinc/26/66/43/905266643.db2.gz FRJFVCPDKXQIRQ-GPJHCHHRSA-N 1 3 380.532 3.602 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(OC(C)(C)C)cc3)CC2)CC1 ZINC000174467719 905278051 /nfs/dbraw/zinc/27/80/51/905278051.db2.gz ZGIFTQRDEPKWNC-UHFFFAOYSA-N 1 3 388.556 3.544 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132841 905344355 /nfs/dbraw/zinc/34/43/55/905344355.db2.gz ORGMJDYSZFNPMN-LRSLUSHPSA-N 1 3 399.579 3.953 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132841 905344373 /nfs/dbraw/zinc/34/43/73/905344373.db2.gz ORGMJDYSZFNPMN-LRSLUSHPSA-N 1 3 399.579 3.953 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C2 ZINC001172112761 905359083 /nfs/dbraw/zinc/35/90/83/905359083.db2.gz ZYMXDSIVNDHTAJ-XSDIEEQYSA-N 1 3 387.568 3.727 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C2 ZINC001172112761 905359102 /nfs/dbraw/zinc/35/91/02/905359102.db2.gz ZYMXDSIVNDHTAJ-XSDIEEQYSA-N 1 3 387.568 3.727 20 0 GHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172524478 905584721 /nfs/dbraw/zinc/58/47/21/905584721.db2.gz YBRDKGANHHDSHQ-USWKJHDZSA-N 1 3 383.580 3.780 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH+]3CCC(N4CCCC4)CC3)CC[C@H]2C1 ZINC001172534009 905637691 /nfs/dbraw/zinc/63/76/91/905637691.db2.gz LAYPRXGCLNFXDL-WPFOTENUSA-N 1 3 395.591 3.878 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H](N3CCC([NH+]4CCCC4)CC3)CC[C@H]2C1 ZINC001172534009 905637697 /nfs/dbraw/zinc/63/76/97/905637697.db2.gz LAYPRXGCLNFXDL-WPFOTENUSA-N 1 3 395.591 3.878 20 0 GHADHO CN(C1CC1)C1CC[NH+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172535475 905639485 /nfs/dbraw/zinc/63/94/85/905639485.db2.gz KATPWIUEFAZOQD-AWRGLXIESA-N 1 3 395.591 3.876 20 0 GHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC(N)(c2cccc(F)c2)CC1 ZINC001172960679 906070809 /nfs/dbraw/zinc/07/08/09/906070809.db2.gz XMLPJLCTJSOQDQ-INIZCTEOSA-N 1 3 379.520 3.721 20 0 GHADHO O=C(c1ccc(F)cc1)N1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001173002269 906075924 /nfs/dbraw/zinc/07/59/24/906075924.db2.gz UBANHHIFHOIIJW-LJQANCHMSA-N 1 3 399.554 3.841 20 0 GHADHO CC[NH+](CC)C1CCC(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001173109526 906195248 /nfs/dbraw/zinc/19/52/48/906195248.db2.gz CHFQXJVCTSOUTQ-HDYDNRTBSA-N 1 3 375.605 3.753 20 0 GHADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001173213498 906330619 /nfs/dbraw/zinc/33/06/19/906330619.db2.gz FSVXSTDJNYCFSK-NRFANRHFSA-N 1 3 393.575 3.693 20 0 GHADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001173213498 906330630 /nfs/dbraw/zinc/33/06/30/906330630.db2.gz FSVXSTDJNYCFSK-NRFANRHFSA-N 1 3 393.575 3.693 20 0 GHADHO COc1ccc(C(=O)N2CCC([N@@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)cc1 ZINC001173407387 906433066 /nfs/dbraw/zinc/43/30/66/906433066.db2.gz ABHVGRVYRLZURP-OAQYLSRUSA-N 1 3 399.579 3.640 20 0 GHADHO COc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)cc1 ZINC001173407387 906433074 /nfs/dbraw/zinc/43/30/74/906433074.db2.gz ABHVGRVYRLZURP-OAQYLSRUSA-N 1 3 399.579 3.640 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001173630274 906580552 /nfs/dbraw/zinc/58/05/52/906580552.db2.gz GOOVEMXMRYRBTH-ICSRJNTNSA-N 1 3 376.516 3.749 20 0 GHADHO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)s1 ZINC000181411463 906995104 /nfs/dbraw/zinc/99/51/04/906995104.db2.gz IZQRVUFMQTWDIT-XLIONFOSSA-N 1 3 387.593 3.856 20 0 GHADHO CCC[NH+]1CCC(NCCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000183263298 907360055 /nfs/dbraw/zinc/36/00/55/907360055.db2.gz WXZXQVAQNGVWQS-UHFFFAOYSA-N 1 3 382.346 3.550 20 0 GHADHO C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000192637867 907803873 /nfs/dbraw/zinc/80/38/73/907803873.db2.gz ADWDFJNGNSCBBL-SVMVAKDDSA-N 1 3 379.589 3.876 20 0 GHADHO CCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCc2ccccc21 ZINC000299479593 921362886 /nfs/dbraw/zinc/36/28/86/921362886.db2.gz BJXRZUULDOXTFM-HSZRJFAPSA-N 1 3 398.595 3.654 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000187174495 908051438 /nfs/dbraw/zinc/05/14/38/908051438.db2.gz TWQNLNKZXSDZAG-GOSISDBHSA-N 1 3 383.561 3.659 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000187174495 908051447 /nfs/dbraw/zinc/05/14/47/908051447.db2.gz TWQNLNKZXSDZAG-GOSISDBHSA-N 1 3 383.561 3.659 20 0 GHADHO Cc1ncoc1C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001177231304 908475018 /nfs/dbraw/zinc/47/50/18/908475018.db2.gz KOTXUPLNDDVAKU-UHFFFAOYSA-N 1 3 396.457 3.694 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccccc3C(F)(F)F)c2)CC1 ZINC001177637739 908684435 /nfs/dbraw/zinc/68/44/35/908684435.db2.gz OWHLPXDINVWCNB-UHFFFAOYSA-N 1 3 377.454 3.743 20 0 GHADHO CC(C)(C)OC(=O)N[C@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257705 909443719 /nfs/dbraw/zinc/44/37/19/909443719.db2.gz GGCMTLUDCQARTO-CVEARBPZSA-N 1 3 393.494 3.544 20 0 GHADHO CC(C)(C)OC(=O)N[C@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257705 909443730 /nfs/dbraw/zinc/44/37/30/909443730.db2.gz GGCMTLUDCQARTO-CVEARBPZSA-N 1 3 393.494 3.544 20 0 GHADHO CC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000636474185 909576365 /nfs/dbraw/zinc/57/63/65/909576365.db2.gz PONSOZZUTZVYMH-SFHVURJKSA-N 1 3 390.597 3.545 20 0 GHADHO CC(=O)N(C)C1CC[NH+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC000637977417 910017706 /nfs/dbraw/zinc/01/77/06/910017706.db2.gz PHKFEKNHBNDIHN-DEOSSOPVSA-N 1 3 385.596 3.868 20 0 GHADHO CC(=O)N(C)C1CCN(C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000637977417 910017712 /nfs/dbraw/zinc/01/77/12/910017712.db2.gz PHKFEKNHBNDIHN-DEOSSOPVSA-N 1 3 385.596 3.868 20 0 GHADHO CC(=O)N(C)C1CCN(C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000637977417 910017726 /nfs/dbraw/zinc/01/77/26/910017726.db2.gz PHKFEKNHBNDIHN-DEOSSOPVSA-N 1 3 385.596 3.868 20 0 GHADHO C[C@H]1C[C@H](NCc2cccc(CN3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268832553 910037777 /nfs/dbraw/zinc/03/77/77/910037777.db2.gz RGRHIQUKYSHYIT-GBXCKJPGSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@H]1C[C@H](NCc2cccc(CN3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000268832553 910037794 /nfs/dbraw/zinc/03/77/94/910037794.db2.gz RGRHIQUKYSHYIT-GBXCKJPGSA-N 1 3 391.559 3.952 20 0 GHADHO COc1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)ccc1OCc1ccccc1 ZINC000638279759 910102146 /nfs/dbraw/zinc/10/21/46/910102146.db2.gz RMNTVPLZEWWRIB-UHFFFAOYSA-N 1 3 398.547 3.599 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3cccn(C(F)F)c3=O)cc2)C1 ZINC000638363570 910133376 /nfs/dbraw/zinc/13/33/76/910133376.db2.gz OYVDCCVFYLTGIP-INIZCTEOSA-N 1 3 375.463 3.765 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3cccn(C(F)F)c3=O)cc2)C1 ZINC000638363570 910133380 /nfs/dbraw/zinc/13/33/80/910133380.db2.gz OYVDCCVFYLTGIP-INIZCTEOSA-N 1 3 375.463 3.765 20 0 GHADHO CN(CCCCCCCCCC[N@H+](C)Cc1cnccn1)Cc1cnccn1 ZINC000270684825 910659562 /nfs/dbraw/zinc/65/95/62/910659562.db2.gz ANUBABIVYCHZLV-UHFFFAOYSA-N 1 3 384.572 3.951 20 0 GHADHO CN(CCCCCCCCCC[N@@H+](C)Cc1cnccn1)Cc1cnccn1 ZINC000270684825 910659569 /nfs/dbraw/zinc/65/95/69/910659569.db2.gz ANUBABIVYCHZLV-UHFFFAOYSA-N 1 3 384.572 3.951 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CCN2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000801923287 921632213 /nfs/dbraw/zinc/63/22/13/921632213.db2.gz CZGWXAOODBUZGF-UXHICEINSA-N 1 3 379.589 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000801923287 921632222 /nfs/dbraw/zinc/63/22/22/921632222.db2.gz CZGWXAOODBUZGF-UXHICEINSA-N 1 3 379.589 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000801923287 921632229 /nfs/dbraw/zinc/63/22/29/921632229.db2.gz CZGWXAOODBUZGF-UXHICEINSA-N 1 3 379.589 3.831 20 0 GHADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926669 921635259 /nfs/dbraw/zinc/63/52/59/921635259.db2.gz YOYHGTALFVNAMS-AZUAARDMSA-N 1 3 379.589 3.687 20 0 GHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926669 921635272 /nfs/dbraw/zinc/63/52/72/921635272.db2.gz YOYHGTALFVNAMS-AZUAARDMSA-N 1 3 379.589 3.687 20 0 GHADHO CN1Cc2c(NC(=O)[C@H]3C[NH+]4CCC3CC4)cccc2[C@@H](c2ccccc2)C1 ZINC001182012565 911152647 /nfs/dbraw/zinc/15/26/47/911152647.db2.gz ZBMIWGTUOCUMJA-RTWAWAEBSA-N 1 3 375.516 3.544 20 0 GHADHO O=C(Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2)[C@@H]1CCCN1CC1CC1 ZINC001182558470 911850545 /nfs/dbraw/zinc/85/05/45/911850545.db2.gz XIYHRYMXNOHIEW-GOTSBHOMSA-N 1 3 381.564 3.843 20 0 GHADHO C[C@H]1[C@@H](CC(=O)N[C@H]2CCCN(C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949404 914913902 /nfs/dbraw/zinc/91/39/02/914913902.db2.gz SSLHJWYRFZVDDT-VJBMBRPKSA-N 1 3 391.559 3.697 20 0 GHADHO C[C@H]1[C@@H](CC(=O)N[C@H]2CCCN(C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949404 914913906 /nfs/dbraw/zinc/91/39/06/914913906.db2.gz SSLHJWYRFZVDDT-VJBMBRPKSA-N 1 3 391.559 3.697 20 0 GHADHO Cc1cccc(N2CC[NH+](CCCCN[C@H](C)c3cc4n(n3)CCCC4)CC2)c1 ZINC000647281660 915133273 /nfs/dbraw/zinc/13/32/73/915133273.db2.gz ABBLXRZJCRSCOX-OAQYLSRUSA-N 1 3 395.595 3.781 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776968 915860129 /nfs/dbraw/zinc/86/01/29/915860129.db2.gz RFFMIGAAPHSTGN-FPOVZHCZSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776968 915860136 /nfs/dbraw/zinc/86/01/36/915860136.db2.gz RFFMIGAAPHSTGN-FPOVZHCZSA-N 1 3 386.923 3.910 20 0 GHADHO C[NH+](C)CCCOc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000649704756 916344825 /nfs/dbraw/zinc/34/48/25/916344825.db2.gz VVFLEUNWHJNPPP-DLBZAZTESA-N 1 3 388.430 3.703 20 0 GHADHO C[NH2+]Cc1ccccc1CNCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000650719196 917248110 /nfs/dbraw/zinc/24/81/10/917248110.db2.gz HGMJULLCSZURMK-UHFFFAOYSA-N 1 3 377.488 3.678 20 0 GHADHO Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000295614961 917381696 /nfs/dbraw/zinc/38/16/96/917381696.db2.gz GOSJGMUENMFVNK-UGSOOPFHSA-N 1 3 397.332 3.666 20 0 GHADHO Cc1ccc(C[C@@H]2CCCN(CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001190682368 917510905 /nfs/dbraw/zinc/51/09/05/917510905.db2.gz HCRSRKSEUOQMQS-UPVQGACJSA-N 1 3 393.575 3.669 20 0 GHADHO COc1cc(OC)c(C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c(OC)c1 ZINC000652336864 917875413 /nfs/dbraw/zinc/87/54/13/917875413.db2.gz IKLJQXNRCTUJNX-UHFFFAOYSA-N 1 3 396.531 3.738 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902394146 922157683 /nfs/dbraw/zinc/15/76/83/922157683.db2.gz WYXSYLSHGQINQM-MOPGFXCFSA-N 1 3 375.463 3.501 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000902503266 922242700 /nfs/dbraw/zinc/24/27/00/922242700.db2.gz HWEQGTUEOUZEQA-XZOYJPPVSA-N 1 3 393.531 3.866 20 0 GHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C(F)(F)F)s1 ZINC000902872171 922571423 /nfs/dbraw/zinc/57/14/23/922571423.db2.gz XHBGGNRUDQMTMP-CYBMUJFWSA-N 1 3 399.482 3.909 20 0 GHADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H](CCc2cccnc2)c2ccccc2)CC1 ZINC000902880571 922576187 /nfs/dbraw/zinc/57/61/87/922576187.db2.gz JVHBPTLEAWOXHP-TZRRMPRUSA-N 1 3 379.548 3.723 20 0 GHADHO CC(=O)OCc1cccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000903147517 922808232 /nfs/dbraw/zinc/80/82/32/922808232.db2.gz JZASHIFMAGKIEQ-UUOWRZLLSA-N 1 3 396.531 3.557 20 0 GHADHO CC(=O)OCc1cccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000903147517 922808255 /nfs/dbraw/zinc/80/82/55/922808255.db2.gz JZASHIFMAGKIEQ-UUOWRZLLSA-N 1 3 396.531 3.557 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCOC23CCOCC3)ccc1OC ZINC000903389536 922981199 /nfs/dbraw/zinc/98/11/99/922981199.db2.gz MVGSBPGEOKVWLU-UWJYYQICSA-N 1 3 376.541 3.526 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000903760958 923265404 /nfs/dbraw/zinc/26/54/04/923265404.db2.gz LWGKKQPLHLELRE-NFBKMPQASA-N 1 3 399.510 3.615 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000903761662 923265441 /nfs/dbraw/zinc/26/54/41/923265441.db2.gz ZAQCKTMWSOTXOD-FYYLOGMGSA-N 1 3 399.510 3.615 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000369941098 923757780 /nfs/dbraw/zinc/75/77/80/923757780.db2.gz AAIVNNYHBXJEMX-FQEVSTJZSA-N 1 3 398.576 3.621 20 0 GHADHO C[C@H](C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1cccc(Br)c1 ZINC000370704504 924266791 /nfs/dbraw/zinc/26/67/91/924266791.db2.gz ZPFCCQSKQCPGLQ-FUHIMQAGSA-N 1 3 394.401 3.510 20 0 GHADHO C[C@H](C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1cccc(Br)c1 ZINC000370704504 924266805 /nfs/dbraw/zinc/26/68/05/924266805.db2.gz ZPFCCQSKQCPGLQ-FUHIMQAGSA-N 1 3 394.401 3.510 20 0 GHADHO C[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804577 924504351 /nfs/dbraw/zinc/50/43/51/924504351.db2.gz HDLCLMPXMJSFFP-NQIIRXRSSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804577 924504357 /nfs/dbraw/zinc/50/43/57/924504357.db2.gz HDLCLMPXMJSFFP-NQIIRXRSSA-N 1 3 375.520 3.971 20 0 GHADHO CC(C)[NH+]1CCN(C2CCN(Cc3ccc(CSC(F)F)o3)CC2)CC1 ZINC000371335604 924532450 /nfs/dbraw/zinc/53/24/50/924532450.db2.gz LFFKMZVQEIVMHW-UHFFFAOYSA-N 1 3 387.540 3.726 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@]3(CC[C@@H](C)C3)C2)CC1 ZINC000679836040 925280092 /nfs/dbraw/zinc/28/00/92/925280092.db2.gz VJXZFXXLKGVCCY-NTKDMRAZSA-N 1 3 383.580 3.588 20 0 GHADHO C[C@@H](CCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000680314375 925438266 /nfs/dbraw/zinc/43/82/66/925438266.db2.gz RINAXHQKLFUJNV-SFTDATJTSA-N 1 3 386.584 3.557 20 0 GHADHO CN(CCNC(=O)C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000411331341 926315963 /nfs/dbraw/zinc/31/59/63/926315963.db2.gz MMRVOQFECVXBSE-DNQXCXABSA-N 1 3 391.559 3.503 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000411445973 926395531 /nfs/dbraw/zinc/39/55/31/926395531.db2.gz BDUYCSHKZACHCC-JOCHJYFZSA-N 1 3 375.532 3.636 20 0 GHADHO CC[NH+]1CCC(NC(=O)CNC2(c3ccc(C(F)(F)F)cc3)CCCC2)CC1 ZINC000411504118 926461451 /nfs/dbraw/zinc/46/14/51/926461451.db2.gz YNAYZZSSHKDRAU-UHFFFAOYSA-N 1 3 397.485 3.665 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1CN1CCCCC1 ZINC000374991827 927787800 /nfs/dbraw/zinc/78/78/00/927787800.db2.gz SUNPREOXZCEOPJ-QTGUNEKASA-N 1 3 388.552 3.670 20 0 GHADHO C[C@H](CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000544330554 929059245 /nfs/dbraw/zinc/05/92/45/929059245.db2.gz KOCPLNZIOOAYPA-RTWAWAEBSA-N 1 3 386.584 3.557 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000544624208 929357574 /nfs/dbraw/zinc/35/75/74/929357574.db2.gz NOGIOBWDKHHWEF-APWZRJJASA-N 1 3 380.602 3.503 20 0 GHADHO CC[C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+](CC)CC ZINC000469207676 929690668 /nfs/dbraw/zinc/69/06/68/929690668.db2.gz YWJJCPCTQJJREO-FQEVSTJZSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000757727339 929784268 /nfs/dbraw/zinc/78/42/68/929784268.db2.gz HBGIOOVEZHVOJT-IDJJCAIYSA-N 1 3 398.595 3.746 20 0 GHADHO CN1CC[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000759534228 930395168 /nfs/dbraw/zinc/39/51/68/930395168.db2.gz JPKQKDXLYKBYJZ-QZNJRLLKSA-N 1 3 384.568 3.528 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000470719288 930852205 /nfs/dbraw/zinc/85/22/05/930852205.db2.gz DSXVCDCSMNDRFU-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470746328 930878601 /nfs/dbraw/zinc/87/86/01/930878601.db2.gz NOHFOCDYNVQQRR-NRFANRHFSA-N 1 3 386.584 3.557 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@@H]2CCC[C@H]21 ZINC000796746584 932052429 /nfs/dbraw/zinc/05/24/29/932052429.db2.gz UBLMSTHUCXCGMG-PCCBWWKXSA-N 1 3 387.568 3.716 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@@H]2CCC[C@H]21 ZINC000796746584 932052433 /nfs/dbraw/zinc/05/24/33/932052433.db2.gz UBLMSTHUCXCGMG-PCCBWWKXSA-N 1 3 387.568 3.716 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000926118897 932055535 /nfs/dbraw/zinc/05/55/35/932055535.db2.gz DDJIUDJUAZBMPR-ZSYWTGECSA-N 1 3 379.589 3.922 20 0 GHADHO CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000926316201 932131075 /nfs/dbraw/zinc/13/10/75/932131075.db2.gz LUNQJSMGLPYHQX-FRIKZZABSA-N 1 3 378.520 3.715 20 0 GHADHO C[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976823 932133244 /nfs/dbraw/zinc/13/32/44/932133244.db2.gz FPCKUFLOTGDZMU-AUSIDOKSSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976823 932133246 /nfs/dbraw/zinc/13/32/46/932133246.db2.gz FPCKUFLOTGDZMU-AUSIDOKSSA-N 1 3 375.520 3.830 20 0 GHADHO Cc1ccc([C@@H](NCC2CC[NH+](C3CCOCC3)CC2)c2cccnc2)cc1 ZINC000926678640 932269586 /nfs/dbraw/zinc/26/95/86/932269586.db2.gz SNHPJLKUCFUHLT-XMMPIXPASA-N 1 3 379.548 3.960 20 0 GHADHO FC(F)(F)[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)n1cncn1 ZINC000926784331 932305525 /nfs/dbraw/zinc/30/55/25/932305525.db2.gz DNQALKSYPNGNDO-XVLXNVKGSA-N 1 3 393.457 3.557 20 0 GHADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H]3CCCc4c(Cl)ccnc43)C2)[C@H]1C(C)C ZINC000926880857 932335394 /nfs/dbraw/zinc/33/53/94/932335394.db2.gz QFYZYLDOCGXAGH-VXXGZENSSA-N 1 3 377.960 3.572 20 0 GHADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H]3CCCc4c(Cl)ccnc43)C2)[C@H]1C(C)C ZINC000926880857 932335401 /nfs/dbraw/zinc/33/54/01/932335401.db2.gz QFYZYLDOCGXAGH-VXXGZENSSA-N 1 3 377.960 3.572 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184577 932555025 /nfs/dbraw/zinc/55/50/25/932555025.db2.gz YCOXPODXOGTWIC-IRXDYDNUSA-N 1 3 377.598 3.815 20 0 GHADHO C[C@H](NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC000799178672 932900913 /nfs/dbraw/zinc/90/09/13/932900913.db2.gz CEVNFHJDZARFND-IBGZPJMESA-N 1 3 383.580 3.550 20 0 GHADHO CC(=O)NCCCCCN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000930071042 933812207 /nfs/dbraw/zinc/81/22/07/933812207.db2.gz AAAJFCPUHAACNS-UHFFFAOYSA-N 1 3 399.501 3.908 20 0 GHADHO CC(=O)NCCCCCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000930071042 933812213 /nfs/dbraw/zinc/81/22/13/933812213.db2.gz AAAJFCPUHAACNS-UHFFFAOYSA-N 1 3 399.501 3.908 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H]1CCc2ccccc21 ZINC001227159311 1032299710 /nfs/dbraw/zinc/29/97/10/1032299710.db2.gz DSKVHYMUJJCDHB-HSZRJFAPSA-N 1 3 381.564 3.938 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H]1CCOc2ccccc21 ZINC001227160861 1032300808 /nfs/dbraw/zinc/30/08/08/1032300808.db2.gz NQTQIYRYWSXLTJ-HSZRJFAPSA-N 1 3 397.563 3.774 20 0 GHADHO C[C@@H](Cc1ccccc1)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227161670 1032300919 /nfs/dbraw/zinc/30/09/19/1032300919.db2.gz WBEJXSNMEDYHBF-IBGZPJMESA-N 1 3 383.580 3.881 20 0 GHADHO C[C@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1ccncc1F ZINC001227163403 1032301920 /nfs/dbraw/zinc/30/19/20/1032301920.db2.gz DBLYJDNSXCEVOC-INIZCTEOSA-N 1 3 388.531 3.546 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)N(C)C)cc1 ZINC001221537640 1032453863 /nfs/dbraw/zinc/45/38/63/1032453863.db2.gz PAVJRLHUAGZRLV-OIBXWCBGSA-N 1 3 394.563 3.560 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)N(C)C)cc1 ZINC001221537640 1032453868 /nfs/dbraw/zinc/45/38/68/1032453868.db2.gz PAVJRLHUAGZRLV-OIBXWCBGSA-N 1 3 394.563 3.560 20 0 GHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC001221913987 1032571587 /nfs/dbraw/zinc/57/15/87/1032571587.db2.gz YEXBPVMKOPDWDA-FXAWDEMLSA-N 1 3 392.563 3.628 20 0 GHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC001221913987 1032571594 /nfs/dbraw/zinc/57/15/94/1032571594.db2.gz YEXBPVMKOPDWDA-FXAWDEMLSA-N 1 3 392.563 3.628 20 0 GHADHO COC(=O)c1cccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000560276804 1017582290 /nfs/dbraw/zinc/58/22/90/1017582290.db2.gz HWCSFSHWMNANRT-UHFFFAOYSA-N 1 3 378.516 3.961 20 0 GHADHO COC(=O)c1cccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000560276804 1017582297 /nfs/dbraw/zinc/58/22/97/1017582297.db2.gz HWCSFSHWMNANRT-UHFFFAOYSA-N 1 3 378.516 3.961 20 0 GHADHO COC(=O)[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)[C@H]1c1ccccc1 ZINC001204271974 1032715368 /nfs/dbraw/zinc/71/53/68/1032715368.db2.gz FFFXOBICPZNPDW-GOTSBHOMSA-N 1 3 396.531 3.753 20 0 GHADHO C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC001227962091 1032716326 /nfs/dbraw/zinc/71/63/26/1032716326.db2.gz KZPAEXKVTVPRKT-DENIHFKCSA-N 1 3 386.584 3.585 20 0 GHADHO CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000563389904 1018909011 /nfs/dbraw/zinc/90/90/11/1018909011.db2.gz KBXRGWVENBDUBF-HSZRJFAPSA-N 1 3 379.548 3.527 20 0 GHADHO Cc1cc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000568627658 1019431441 /nfs/dbraw/zinc/43/14/41/1019431441.db2.gz BKPVVVINXKQSIO-GOSISDBHSA-N 1 3 380.536 3.797 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000576242350 1019993474 /nfs/dbraw/zinc/99/34/74/1019993474.db2.gz WRQQQWBLJYFAKU-OAHLLOKOSA-N 1 3 394.357 3.559 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000638271736 1021038055 /nfs/dbraw/zinc/03/80/55/1021038055.db2.gz SMAHUSVLVAGLEK-LADGPHEKSA-N 1 3 387.531 3.784 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000638271736 1021038063 /nfs/dbraw/zinc/03/80/63/1021038063.db2.gz SMAHUSVLVAGLEK-LADGPHEKSA-N 1 3 387.531 3.784 20 0 GHADHO COC(=O)c1cccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204685791 1033030386 /nfs/dbraw/zinc/03/03/86/1033030386.db2.gz JWGFOBFMJGMDEB-PKTZIBPZSA-N 1 3 378.516 3.817 20 0 GHADHO COC(=O)c1cccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204685791 1033030397 /nfs/dbraw/zinc/03/03/97/1033030397.db2.gz JWGFOBFMJGMDEB-PKTZIBPZSA-N 1 3 378.516 3.817 20 0 GHADHO c1nc2cc[nH]cc-2c1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001140800987 1022567985 /nfs/dbraw/zinc/56/79/85/1022567985.db2.gz CZNTYPJCGJPHGU-URXFXBBRSA-N 1 3 394.563 3.523 20 0 GHADHO c1nc2cc[nH]cc-2c1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001140800987 1022567986 /nfs/dbraw/zinc/56/79/86/1022567986.db2.gz CZNTYPJCGJPHGU-URXFXBBRSA-N 1 3 394.563 3.523 20 0 GHADHO c1[nH]c2ccncc2c1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001140800987 1022567992 /nfs/dbraw/zinc/56/79/92/1022567992.db2.gz CZNTYPJCGJPHGU-URXFXBBRSA-N 1 3 394.563 3.523 20 0 GHADHO c1[nH]c2ccncc2c1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001140800987 1022567997 /nfs/dbraw/zinc/56/79/97/1022567997.db2.gz CZNTYPJCGJPHGU-URXFXBBRSA-N 1 3 394.563 3.523 20 0 GHADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000121866767 1024921847 /nfs/dbraw/zinc/92/18/47/1024921847.db2.gz LWDHOBQJWLDVAE-ROUUACIJSA-N 1 3 378.582 3.785 20 0 GHADHO CO[C@@H](C[NH+]1CCN(Cc2ccc(-n3ccnc3C)cc2)CC1)c1ccccc1 ZINC001138549770 1024997378 /nfs/dbraw/zinc/99/73/78/1024997378.db2.gz DRBZKACYABLHDK-DEOSSOPVSA-N 1 3 390.531 3.686 20 0 GHADHO Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138882465 1025519918 /nfs/dbraw/zinc/51/99/18/1025519918.db2.gz BMRLHLXVNAUKOK-NHCUHLMSSA-N 1 3 376.479 3.780 20 0 GHADHO [NH3+]CCN(c1cccc2ccccc21)c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001162006416 1025533550 /nfs/dbraw/zinc/53/35/50/1025533550.db2.gz AWWDZZDOGAYPHQ-HSZRJFAPSA-N 1 3 386.499 3.850 20 0 GHADHO COc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)c(OC)cc1Br ZINC001138916585 1025578503 /nfs/dbraw/zinc/57/85/03/1025578503.db2.gz FOZGIHWNDQGWHW-UHFFFAOYSA-N 1 3 397.357 3.774 20 0 GHADHO C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CCN3Cc3cc4ccccc4o3)O2)CC1 ZINC001139063128 1025857375 /nfs/dbraw/zinc/85/73/75/1025857375.db2.gz NBYFITSXQLQYTN-KIFXHHALSA-N 1 3 398.547 3.913 20 0 GHADHO COCCN(C)[C@H](CNc1cc(-n2ccnc2)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385439 1026171102 /nfs/dbraw/zinc/17/11/02/1026171102.db2.gz VRDMXWCDVCVVLZ-LJQANCHMSA-N 1 3 385.899 3.652 20 0 GHADHO C[N@H+](Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC001139515161 1026370940 /nfs/dbraw/zinc/37/09/40/1026370940.db2.gz HBZOQFRCJSVSRP-HSZRJFAPSA-N 1 3 379.548 3.620 20 0 GHADHO C[N@@H+](Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC001139515161 1026370956 /nfs/dbraw/zinc/37/09/56/1026370956.db2.gz HBZOQFRCJSVSRP-HSZRJFAPSA-N 1 3 379.548 3.620 20 0 GHADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC001461096095 1069386947 /nfs/dbraw/zinc/38/69/47/1069386947.db2.gz NZZJTDNVNIITIF-ZCNNSNEGSA-N 1 3 375.576 3.789 20 0 GHADHO CN(C)C1(CNc2ccc3c(c2)[C@H](c2ccccc2)CC(=O)N3)CC[NH+](C)CC1 ZINC001164213112 1026455536 /nfs/dbraw/zinc/45/55/36/1026455536.db2.gz PFCJPFQKLCKIQP-FQEVSTJZSA-N 1 3 392.547 3.599 20 0 GHADHO CCOC(=O)c1cc2c(cc(C)[nH+]c2NCC2CN(Cc3ccccc3)C2)n1C ZINC001165427642 1026724806 /nfs/dbraw/zinc/72/48/06/1026724806.db2.gz TVGMJKUFPVLQMN-UHFFFAOYSA-N 1 3 392.503 3.602 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C(C)(C)C)s3)CC2)CC1 ZINC000834304828 1026915816 /nfs/dbraw/zinc/91/58/16/1026915816.db2.gz LNIHKGXWGQHDLR-UHFFFAOYSA-N 1 3 391.625 3.858 20 0 GHADHO COc1ccc(OC)c(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001203523663 1027404632 /nfs/dbraw/zinc/40/46/32/1027404632.db2.gz QVUJZGBNCMGHOT-UHFFFAOYSA-N 1 3 395.547 3.975 20 0 GHADHO COc1ccc(OC)c(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001203523663 1027404640 /nfs/dbraw/zinc/40/46/40/1027404640.db2.gz QVUJZGBNCMGHOT-UHFFFAOYSA-N 1 3 395.547 3.975 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccc(F)cc1)CC2 ZINC001203914191 1027703221 /nfs/dbraw/zinc/70/32/21/1027703221.db2.gz KLHLCLLLZJKBQJ-QFIPXVFZSA-N 1 3 383.511 3.724 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccc(F)cc1)CC2 ZINC001203914191 1027703234 /nfs/dbraw/zinc/70/32/34/1027703234.db2.gz KLHLCLLLZJKBQJ-QFIPXVFZSA-N 1 3 383.511 3.724 20 0 GHADHO CC[NH+]1CCC(CC2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)CC1 ZINC001204126066 1027896568 /nfs/dbraw/zinc/89/65/68/1027896568.db2.gz HSAYTLRWYMZGEA-UHFFFAOYSA-N 1 3 376.541 3.743 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)N(C)C)cc1 ZINC001211311851 1027904513 /nfs/dbraw/zinc/90/45/13/1027904513.db2.gz JLBGJPYMZRTUEB-KNKQGSTJSA-N 1 3 388.600 3.519 20 0 GHADHO CN(CCCC[NH+]1CCCCC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001211343435 1027915380 /nfs/dbraw/zinc/91/53/80/1027915380.db2.gz XJGWOLZEUBHLLU-JOCHJYFZSA-N 1 3 386.584 3.731 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000841902244 1028995079 /nfs/dbraw/zinc/99/50/79/1028995079.db2.gz RCRPUZFUFOQGLR-ACBHZAAOSA-N 1 3 380.964 3.634 20 0 GHADHO Cc1cc2oc(=O)cc(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)c2cc1C(C)C ZINC000842479454 1029315894 /nfs/dbraw/zinc/31/58/94/1029315894.db2.gz SXYNLWXSHKIXKT-UGKGYDQZSA-N 1 3 398.547 3.943 20 0 GHADHO CN1C[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)[C@H](c2ccccc2)C1 ZINC000842764306 1029573578 /nfs/dbraw/zinc/57/35/78/1029573578.db2.gz GMLZCDUXEQQBAN-UXHICEINSA-N 1 3 396.535 3.864 20 0 GHADHO CC(C)COc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001461583392 1069623081 /nfs/dbraw/zinc/62/30/81/1069623081.db2.gz ZIYQYSFZLDKANJ-UHFFFAOYSA-N 1 3 382.548 3.838 20 0 GHADHO C[C@H](CNC(=O)NCCNC(c1ccccc1)c1ccccc1)[NH+]1CCCCC1 ZINC001224178776 1030914899 /nfs/dbraw/zinc/91/48/99/1030914899.db2.gz WMHAOOQMHRXSTC-HXUWFJFHSA-N 1 3 394.563 3.539 20 0 GHADHO Cc1cccc2c1C1(C[C@H]2CC(=O)Nc2cc([C@H]3CCCN3)no2)CC[NH2+]CC1 ZINC001218713720 1031045051 /nfs/dbraw/zinc/04/50/51/1031045051.db2.gz UTNXNUNNEALZKZ-SJLPKXTDSA-N 1 3 394.519 3.545 20 0 GHADHO Cc1c(C(F)(F)F)cc(Cl)c(Cl)c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218912778 1031150347 /nfs/dbraw/zinc/15/03/47/1031150347.db2.gz MJSGXEDUWUHXNJ-LBPRGKRZSA-N 1 3 384.229 3.586 20 0 GHADHO O=C(Nc1ccc(-n2c3ccccc3c3ccccc32)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001219398647 1031397357 /nfs/dbraw/zinc/39/73/57/1031397357.db2.gz RZHGYWTZEQOUAU-OAQYLSRUSA-N 1 3 396.494 3.531 20 0 GHADHO N[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001219941418 1031708251 /nfs/dbraw/zinc/70/82/51/1031708251.db2.gz XSVXHMXKNMPALJ-RJQXTFCISA-N 1 3 395.591 3.559 20 0 GHADHO N[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001219941418 1031708267 /nfs/dbraw/zinc/70/82/67/1031708267.db2.gz XSVXHMXKNMPALJ-RJQXTFCISA-N 1 3 395.591 3.559 20 0 GHADHO C[NH+](C)Cc1cccc(CNC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)c1 ZINC001219943809 1031709615 /nfs/dbraw/zinc/70/96/15/1031709615.db2.gz ZITLMCGWRHRVNE-GOSISDBHSA-N 1 3 380.319 3.761 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC001220634466 1032034863 /nfs/dbraw/zinc/03/48/63/1032034863.db2.gz WWGXZEGWZCXCLD-KNQAVFIVSA-N 1 3 388.600 3.519 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC001220634466 1032034880 /nfs/dbraw/zinc/03/48/80/1032034880.db2.gz WWGXZEGWZCXCLD-KNQAVFIVSA-N 1 3 388.600 3.519 20 0 GHADHO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849297 1069790334 /nfs/dbraw/zinc/79/03/34/1069790334.db2.gz HNKDMZNDYYXRDZ-AABGKKOBSA-N 1 3 379.589 3.830 20 0 GHADHO C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849297 1069790348 /nfs/dbraw/zinc/79/03/48/1069790348.db2.gz HNKDMZNDYYXRDZ-AABGKKOBSA-N 1 3 379.589 3.830 20 0 GHADHO CCOC(=O)N1CC[C@H]([NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001205457052 1033420517 /nfs/dbraw/zinc/42/05/17/1033420517.db2.gz OYFVAJFDAJHTSK-NZQKXSOJSA-N 1 3 387.568 3.745 20 0 GHADHO CCOC(=O)N1CC[C@H](NC[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001205457052 1033420528 /nfs/dbraw/zinc/42/05/28/1033420528.db2.gz OYFVAJFDAJHTSK-NZQKXSOJSA-N 1 3 387.568 3.745 20 0 GHADHO CCOC(=O)N1CC[C@H](NC[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001205457052 1033420537 /nfs/dbraw/zinc/42/05/37/1033420537.db2.gz OYFVAJFDAJHTSK-NZQKXSOJSA-N 1 3 387.568 3.745 20 0 GHADHO COCCOc1ccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC001206024231 1033691907 /nfs/dbraw/zinc/69/19/07/1033691907.db2.gz YJSHUUSCQTUGDI-UHFFFAOYSA-N 1 3 384.520 3.793 20 0 GHADHO CC(C)N(Cc1ccc(I)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206598828 1033919368 /nfs/dbraw/zinc/91/93/68/1033919368.db2.gz MWHPUVDWWVREJU-CQSZACIVSA-N 1 3 390.284 3.783 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249189 1034214169 /nfs/dbraw/zinc/21/41/69/1034214169.db2.gz VIKWDTFJLCOEMM-AABGKKOBSA-N 1 3 379.589 3.972 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249189 1034214172 /nfs/dbraw/zinc/21/41/72/1034214172.db2.gz VIKWDTFJLCOEMM-AABGKKOBSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCCC[C@H]3CCN3CCCC3)(C1)C2 ZINC001207266890 1034221669 /nfs/dbraw/zinc/22/16/69/1034221669.db2.gz PHTDWDJGHRTICS-XTWGIRIWSA-N 1 3 377.573 3.774 20 0 GHADHO CC(C)(C)OC(=O)NC12CC(C[N@H+]3CCCC[C@H]3CCN3CCCC3)(C1)C2 ZINC001207266890 1034221678 /nfs/dbraw/zinc/22/16/78/1034221678.db2.gz PHTDWDJGHRTICS-XTWGIRIWSA-N 1 3 377.573 3.774 20 0 GHADHO CC(C)(C)OC(=O)NC12CC(CN3CCCC[C@H]3CC[NH+]3CCCC3)(C1)C2 ZINC001207266890 1034221691 /nfs/dbraw/zinc/22/16/91/1034221691.db2.gz PHTDWDJGHRTICS-XTWGIRIWSA-N 1 3 377.573 3.774 20 0 GHADHO CCOC(=O)c1c(N=C2CCC([NH+]3CCCC3)CC2)sc2c1CCNC2 ZINC001159209257 1034486499 /nfs/dbraw/zinc/48/64/99/1034486499.db2.gz UUYGODSCCIWCRJ-OAHLLOKOSA-N 1 3 375.538 3.515 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(CC[C@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635353 1034501799 /nfs/dbraw/zinc/50/17/99/1034501799.db2.gz JEQLUBGELCKBIE-UXHICEINSA-N 1 3 396.616 3.693 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(CC[C@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635353 1034501805 /nfs/dbraw/zinc/50/18/05/1034501805.db2.gz JEQLUBGELCKBIE-UXHICEINSA-N 1 3 396.616 3.693 20 0 GHADHO Nc1ccc(N(c2cccc(CN3CCCCC3)c2F)C2CC[NH2+]CC2)nc1 ZINC001159321820 1034543998 /nfs/dbraw/zinc/54/39/98/1034543998.db2.gz SNABRTZOYGACTH-UHFFFAOYSA-N 1 3 383.515 3.679 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(-c4cccs4)cc3)CC[C@@H]2C1 ZINC001231430520 1034577722 /nfs/dbraw/zinc/57/77/22/1034577722.db2.gz PLRREBDCADSDFB-NHCUHLMSSA-N 1 3 386.561 3.584 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(-c4cccs4)cc3)CC[C@@H]2C1 ZINC001231430520 1034577736 /nfs/dbraw/zinc/57/77/36/1034577736.db2.gz PLRREBDCADSDFB-NHCUHLMSSA-N 1 3 386.561 3.584 20 0 GHADHO Cc1ccc2ncnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)c2c1 ZINC001159460080 1034606235 /nfs/dbraw/zinc/60/62/35/1034606235.db2.gz NWJKEFPKLYJEAS-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO COc1cc(Cl)ncc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159461696 1034607665 /nfs/dbraw/zinc/60/76/65/1034607665.db2.gz YSUXRCDMCIXMRW-UHFFFAOYSA-N 1 3 384.911 3.653 20 0 GHADHO CS[C@H](C)CCN1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208151533 1034757000 /nfs/dbraw/zinc/75/70/00/1034757000.db2.gz WNXMXAVBQPNVQK-MRXNPFEDSA-N 1 3 385.618 3.582 20 0 GHADHO Cc1cc(N2CCN(CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc[nH+]1 ZINC001208233667 1034821783 /nfs/dbraw/zinc/82/17/83/1034821783.db2.gz AJKFHJWSZHPHKD-LJQANCHMSA-N 1 3 388.556 3.549 20 0 GHADHO CCN1CCN(c2ccc(Nc3ccccc3OCC3CC[NH2+]CC3)cc2)CC1 ZINC001160187463 1034895224 /nfs/dbraw/zinc/89/52/24/1034895224.db2.gz JUNVJWUBMSIYJD-UHFFFAOYSA-N 1 3 394.563 3.951 20 0 GHADHO CCN1CCN(c2ccc(Nc3ccccc3O[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001160232733 1034911535 /nfs/dbraw/zinc/91/15/35/1034911535.db2.gz HQAMUOUPNCHPJZ-NRFANRHFSA-N 1 3 380.536 3.703 20 0 GHADHO Cc1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC2)cnc1F ZINC001231925389 1034993751 /nfs/dbraw/zinc/99/37/51/1034993751.db2.gz SZIDRFHUUKRZCO-GOSISDBHSA-N 1 3 389.540 3.846 20 0 GHADHO Cc1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)cnc1F ZINC001231925389 1034993754 /nfs/dbraw/zinc/99/37/54/1034993754.db2.gz SZIDRFHUUKRZCO-GOSISDBHSA-N 1 3 389.540 3.846 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001232094573 1035091399 /nfs/dbraw/zinc/09/13/99/1035091399.db2.gz HNBVOCMCCSKNDK-UHFFFAOYSA-N 1 3 375.520 3.835 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001232094573 1035091406 /nfs/dbraw/zinc/09/14/06/1035091406.db2.gz HNBVOCMCCSKNDK-UHFFFAOYSA-N 1 3 375.520 3.835 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940541 1035110287 /nfs/dbraw/zinc/11/02/87/1035110287.db2.gz DKAUHBGUNYZJIF-QPPBQGQZSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940541 1035110289 /nfs/dbraw/zinc/11/02/89/1035110289.db2.gz DKAUHBGUNYZJIF-QPPBQGQZSA-N 1 3 399.579 3.984 20 0 GHADHO C[C@@H]([C@@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160994675 1035114546 /nfs/dbraw/zinc/11/45/46/1035114546.db2.gz BQJQSZCJDDMIGF-AJSBUHFISA-N 1 3 397.563 3.713 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c1 ZINC001232146940 1035125208 /nfs/dbraw/zinc/12/52/08/1035125208.db2.gz AWVFBGOYWUXLNA-ZEQRLZLVSA-N 1 3 397.538 3.895 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c1 ZINC001232146940 1035125215 /nfs/dbraw/zinc/12/52/15/1035125215.db2.gz AWVFBGOYWUXLNA-ZEQRLZLVSA-N 1 3 397.538 3.895 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149648 1035127346 /nfs/dbraw/zinc/12/73/46/1035127346.db2.gz NPOGFUVTPIHHMH-GOTSBHOMSA-N 1 3 381.539 3.841 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149648 1035127353 /nfs/dbraw/zinc/12/73/53/1035127353.db2.gz NPOGFUVTPIHHMH-GOTSBHOMSA-N 1 3 381.539 3.841 20 0 GHADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001161593435 1035267732 /nfs/dbraw/zinc/26/77/32/1035267732.db2.gz BKIVVTLFPXYWKL-QFIPXVFZSA-N 1 3 383.580 3.766 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1)CC1CC1 ZINC001248464330 1035891653 /nfs/dbraw/zinc/89/16/53/1035891653.db2.gz OFGKBLDUQPYEFI-OAQYLSRUSA-N 1 3 392.632 3.650 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1)CC1CC1 ZINC001248464330 1035891674 /nfs/dbraw/zinc/89/16/74/1035891674.db2.gz OFGKBLDUQPYEFI-OAQYLSRUSA-N 1 3 392.632 3.650 20 0 GHADHO CC(C)(C)[C@]1(C[NH+]2CCC(Cn3cncn3)CC2)CCN(Cc2ccccc2)C1 ZINC001462131459 1070021629 /nfs/dbraw/zinc/02/16/29/1070021629.db2.gz XZONTOMCFSCEIT-DEOSSOPVSA-N 1 3 395.595 3.929 20 0 GHADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCC1(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001245998720 1037119234 /nfs/dbraw/zinc/11/92/34/1037119234.db2.gz HRDUMLHZKXIQKY-VQTJNVASSA-N 1 3 392.465 3.549 20 0 GHADHO Brc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN[C@H](Cc3ccccc3)C1)C2 ZINC001246162459 1037217661 /nfs/dbraw/zinc/21/76/61/1037217661.db2.gz DOHIJXLRQUWUFR-NJDAHSKKSA-N 1 3 385.349 3.869 20 0 GHADHO Cc1ccc2c(c1)C1(C[C@H]2N[C@H](C)CS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC001246167419 1037221102 /nfs/dbraw/zinc/22/11/02/1037221102.db2.gz DWXFFMDVUIKQCZ-XMSQKQJNSA-N 1 3 398.572 3.513 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([NH2+]C(C)(C)CCN)CC1 ZINC001246358457 1037317946 /nfs/dbraw/zinc/31/79/46/1037317946.db2.gz FHSNXBRQUDCXQK-UHFFFAOYSA-N 1 3 399.373 3.925 20 0 GHADHO COc1ccc(CC2(N[C@@H]3C[C@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246374595 1037330811 /nfs/dbraw/zinc/33/08/11/1037330811.db2.gz FQDQDFPHDSYIEX-NZQKXSOJSA-N 1 3 393.575 3.613 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380511 1037338380 /nfs/dbraw/zinc/33/83/80/1037338380.db2.gz HREAPEVWIIMTNP-LJQANCHMSA-N 1 3 384.495 3.830 20 0 GHADHO C[C@@H]1C[C@@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246380830 1037339626 /nfs/dbraw/zinc/33/96/26/1037339626.db2.gz KSFRFMSLECFCSV-DENIHFKCSA-N 1 3 381.539 3.743 20 0 GHADHO C[C@H]1C[C@H](NC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246392204 1037352784 /nfs/dbraw/zinc/35/27/84/1037352784.db2.gz RALCQIZAUGFJKT-CVDCTZTESA-N 1 3 381.539 3.743 20 0 GHADHO COc1ccccc1CC1(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246424653 1037383215 /nfs/dbraw/zinc/38/32/15/1037383215.db2.gz HEILAZUWJGJWRT-OFNKIYASSA-N 1 3 393.575 3.613 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2(Cc3cccc(F)c3)CCNCC2)cc1 ZINC001246457370 1037415679 /nfs/dbraw/zinc/41/56/79/1037415679.db2.gz JYMZGFGOFNOVIW-GOSISDBHSA-N 1 3 398.522 3.888 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2(Cc3ccccc3)CCNCC2)cc1 ZINC001246470924 1037422785 /nfs/dbraw/zinc/42/27/85/1037422785.db2.gz ZRSVZJOXJPUFFT-LJQANCHMSA-N 1 3 380.532 3.749 20 0 GHADHO CCCC[C@H]1C[C@@H](NCCc2ccc(OCC(=O)OC(C)(C)C)cc2)CC[NH2+]1 ZINC001246483196 1037428608 /nfs/dbraw/zinc/42/86/08/1037428608.db2.gz KJWCSBZWPCGUQO-PMACEKPBSA-N 1 3 390.568 3.850 20 0 GHADHO CCCC[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246483196 1037428620 /nfs/dbraw/zinc/42/86/20/1037428620.db2.gz KJWCSBZWPCGUQO-PMACEKPBSA-N 1 3 390.568 3.850 20 0 GHADHO COc1ccc2cc(CC[C@H](C)[N@@H+]3CC[C@@]45CNC[C@@H](C[C@@H]4C3)O5)ccc2c1 ZINC001246687132 1037548845 /nfs/dbraw/zinc/54/88/45/1037548845.db2.gz VIMDOQGMQYDLFN-ULOHNXOTSA-N 1 3 380.532 3.622 20 0 GHADHO COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@@]45CNC[C@@H](C[C@@H]4C3)O5)ccc2c1 ZINC001246687132 1037548863 /nfs/dbraw/zinc/54/88/63/1037548863.db2.gz VIMDOQGMQYDLFN-ULOHNXOTSA-N 1 3 380.532 3.622 20 0 GHADHO CC[C@@H]1CC(N2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@@H](CC)[NH2+]1 ZINC001246722393 1037572273 /nfs/dbraw/zinc/57/22/73/1037572273.db2.gz NQFXQODGTXPDIA-WOIUINJBSA-N 1 3 389.609 3.985 20 0 GHADHO CC(C)CN1Cc2ccccc2CC2(CCN([C@H]3CC[NH2+]C(C)(C)C3)CC2)C1=O ZINC001246754595 1037596498 /nfs/dbraw/zinc/59/64/98/1037596498.db2.gz UAWRKQDBQGEHFA-QFIPXVFZSA-N 1 3 397.607 3.840 20 0 GHADHO CC(C)CN1Cc2ccccc2CC2(CC[NH+]([C@H]3CCNC(C)(C)C3)CC2)C1=O ZINC001246754595 1037596512 /nfs/dbraw/zinc/59/65/12/1037596512.db2.gz UAWRKQDBQGEHFA-QFIPXVFZSA-N 1 3 397.607 3.840 20 0 GHADHO C[C@H]1C[C@@H](N2CCCN(CCOC(c3ccccc3)c3ccccc3)CC2)C[NH2+]1 ZINC001246839321 1037669259 /nfs/dbraw/zinc/66/92/59/1037669259.db2.gz SUBREZSPTSHJOS-XUZZJYLKSA-N 1 3 393.575 3.551 20 0 GHADHO C[C@H](Cc1ccc(Br)cc1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246870405 1037686692 /nfs/dbraw/zinc/68/66/92/1037686692.db2.gz AUQTZKZDXCLWDQ-BSIFCXSSSA-N 1 3 385.349 3.853 20 0 GHADHO O=C(c1ccc(Cl)cc1Cl)N1CCN([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246892028 1037707714 /nfs/dbraw/zinc/70/77/14/1037707714.db2.gz OTZJQSQODSPDMK-JXFKEZNVSA-N 1 3 396.362 3.674 20 0 GHADHO CCOC(=O)c1ccn(-c2cccc(C[NH2+]C3CCN(CCC(C)C)CC3)c2)n1 ZINC001462206557 1070082560 /nfs/dbraw/zinc/08/25/60/1070082560.db2.gz UIZMBFGGACUTHB-UHFFFAOYSA-N 1 3 398.551 3.649 20 0 GHADHO CC[C@@H]1C[C@@H]([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936936 1037741959 /nfs/dbraw/zinc/74/19/59/1037741959.db2.gz KOLDCJVBUUVJIV-RBUKOAKNSA-N 1 3 381.358 3.961 20 0 GHADHO CC[C@@H]1C[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936936 1037741978 /nfs/dbraw/zinc/74/19/78/1037741978.db2.gz KOLDCJVBUUVJIV-RBUKOAKNSA-N 1 3 381.358 3.961 20 0 GHADHO CC[C@H]1C[C@@H]([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936934 1037743302 /nfs/dbraw/zinc/74/33/02/1037743302.db2.gz KOLDCJVBUUVJIV-OALUTQOASA-N 1 3 381.358 3.961 20 0 GHADHO CC[C@H]1C[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936934 1037743313 /nfs/dbraw/zinc/74/33/13/1037743313.db2.gz KOLDCJVBUUVJIV-OALUTQOASA-N 1 3 381.358 3.961 20 0 GHADHO COC(=O)c1cccc(CN([C@H]2Cc3ccc(Cl)cc3C2)C2CC[NH2+]CC2)c1 ZINC001246956900 1037767219 /nfs/dbraw/zinc/76/72/19/1037767219.db2.gz IJGDJMGYAASSNJ-QFIPXVFZSA-N 1 3 398.934 3.848 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001232557836 1038325601 /nfs/dbraw/zinc/32/56/01/1038325601.db2.gz KDKUIDKFZIEDBR-FBBABVLZSA-N 1 3 376.504 3.955 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001232557836 1038325613 /nfs/dbraw/zinc/32/56/13/1038325613.db2.gz KDKUIDKFZIEDBR-FBBABVLZSA-N 1 3 376.504 3.955 20 0 GHADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H](O)COCc1ccccc1)CC2 ZINC001252279973 1038921792 /nfs/dbraw/zinc/92/17/92/1038921792.db2.gz HEXPGVMEZBQETP-GGAORHGYSA-N 1 3 398.547 3.534 20 0 GHADHO Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc(O)c5[nH]c(=O)ccc45)C[C@@H]3C2)cc1 ZINC001233292599 1039080824 /nfs/dbraw/zinc/08/08/24/1039080824.db2.gz REKYXNKWCJOMRI-BGYRXZFFSA-N 1 3 389.499 3.518 20 0 GHADHO Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc(O)c5[nH]c(=O)ccc45)C[C@@H]3C2)cc1 ZINC001233292599 1039080843 /nfs/dbraw/zinc/08/08/43/1039080843.db2.gz REKYXNKWCJOMRI-BGYRXZFFSA-N 1 3 389.499 3.518 20 0 GHADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252761894 1039150979 /nfs/dbraw/zinc/15/09/79/1039150979.db2.gz XLCRXLLYJMIRQS-JTHBVZDNSA-N 1 3 396.575 3.836 20 0 GHADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252761894 1039151001 /nfs/dbraw/zinc/15/10/01/1039151001.db2.gz XLCRXLLYJMIRQS-JTHBVZDNSA-N 1 3 396.575 3.836 20 0 GHADHO O[C@@]1(CN[C@@H](CC2CCOCC2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950175 1039293901 /nfs/dbraw/zinc/29/39/01/1039293901.db2.gz FPXDGPXMWDJWQJ-LOSJGSFVSA-N 1 3 394.559 3.771 20 0 GHADHO O[C@@]1(CN[C@@H](CC2CCOCC2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950175 1039293907 /nfs/dbraw/zinc/29/39/07/1039293907.db2.gz FPXDGPXMWDJWQJ-LOSJGSFVSA-N 1 3 394.559 3.771 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@](C)(O)c1ccccc1)CC2 ZINC001253099132 1039421687 /nfs/dbraw/zinc/42/16/87/1039421687.db2.gz FJXIKVZKFBRFJP-RPWUZVMVSA-N 1 3 394.559 3.650 20 0 GHADHO Oc1cccc(C2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)c1 ZINC001254039683 1039969206 /nfs/dbraw/zinc/96/92/06/1039969206.db2.gz AQDBFPNPWVZHNG-UHFFFAOYSA-N 1 3 380.532 3.599 20 0 GHADHO OC1(C[NH2+]Cc2ccc(-c3nccs3)cc2)CCN(Cc2ccccc2)CC1 ZINC001254050317 1039975587 /nfs/dbraw/zinc/97/55/87/1039975587.db2.gz IUPIYMQDUAODGO-UHFFFAOYSA-N 1 3 393.556 3.927 20 0 GHADHO OC1(CN[C@@H](c2cccnc2Cl)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254055698 1039978409 /nfs/dbraw/zinc/97/84/09/1039978409.db2.gz ZEPOSQASVIHZOL-HXUWFJFHSA-N 1 3 385.939 3.803 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C[C@H]1c1ccc(Br)cc1 ZINC001462440830 1070255181 /nfs/dbraw/zinc/25/51/81/1070255181.db2.gz RNEUUXTWRGIOOE-UXPWSPDFSA-N 1 3 394.401 3.906 20 0 GHADHO COc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)c(OC(C)C)c1 ZINC001234689774 1040222667 /nfs/dbraw/zinc/22/26/67/1040222667.db2.gz WUVICLRJCXLSDI-UHFFFAOYSA-N 1 3 390.568 3.807 20 0 GHADHO CCN(C(=O)NC1CCC(C)([NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001254426999 1040226060 /nfs/dbraw/zinc/22/60/60/1040226060.db2.gz GZKMCNDTTYARNY-WQMHRJNTSA-N 1 3 386.584 3.555 20 0 GHADHO CN1CCC[C@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001254533650 1040306015 /nfs/dbraw/zinc/30/60/15/1040306015.db2.gz OLBTVBPVUGTPPF-QFIPXVFZSA-N 1 3 379.548 3.872 20 0 GHADHO CCOc1cc(C(=O)OC)ccc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235085749 1040572366 /nfs/dbraw/zinc/57/23/66/1040572366.db2.gz FCUHMZUGGFOOTM-UHFFFAOYSA-N 1 3 394.515 3.509 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](N3CCC([NH+]4CCC(F)CC4)CC3)C[C@@H]2C1 ZINC001254918705 1040667682 /nfs/dbraw/zinc/66/76/82/1040667682.db2.gz MCGTVHOLSJQXRR-XEMDLRDOSA-N 1 3 395.563 3.530 20 0 GHADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(Cc1cc(Cl)ccc1F)C2 ZINC001235323409 1040793196 /nfs/dbraw/zinc/79/31/96/1040793196.db2.gz DFQHYFRUOOVSET-GHTZIAJQSA-N 1 3 394.918 3.624 20 0 GHADHO FC(F)(F)c1nn([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c1CCNC2 ZINC001255149379 1040867168 /nfs/dbraw/zinc/86/71/68/1040867168.db2.gz GXZVOEAAJHPLGB-FVQHAEBGSA-N 1 3 390.453 3.916 20 0 GHADHO FC(F)(F)c1nn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1CCNC2 ZINC001255149379 1040867178 /nfs/dbraw/zinc/86/71/78/1040867178.db2.gz GXZVOEAAJHPLGB-FVQHAEBGSA-N 1 3 390.453 3.916 20 0 GHADHO Ic1ccccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429101 1040929900 /nfs/dbraw/zinc/92/99/00/1040929900.db2.gz XBXHZLYNJYLFFB-LSDHHAIUSA-N 1 3 384.305 3.503 20 0 GHADHO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001255376970 1040969076 /nfs/dbraw/zinc/96/90/76/1040969076.db2.gz DFWOZYQXUYMLAM-WIYYLYMNSA-N 1 3 386.561 3.795 20 0 GHADHO O=C(c1ccccc1)N1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255407583 1040994605 /nfs/dbraw/zinc/99/46/05/1040994605.db2.gz BOMXARAYOSKBNF-DEOSSOPVSA-N 1 3 391.559 3.889 20 0 GHADHO O=C(c1ccccc1)N1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255407583 1040994606 /nfs/dbraw/zinc/99/46/06/1040994606.db2.gz BOMXARAYOSKBNF-DEOSSOPVSA-N 1 3 391.559 3.889 20 0 GHADHO Cn1c(CNCC2(c3ccccc3)CC[NH+](C)CC2)nc2cc(Cl)ccc21 ZINC001462513511 1070317541 /nfs/dbraw/zinc/31/75/41/1070317541.db2.gz SWRBKXKHFKCVTB-UHFFFAOYSA-N 1 3 382.939 3.980 20 0 GHADHO COCCCN(Cc1c[nH]c2c1cccc2Br)C1CC[NH2+]CC1 ZINC001235937713 1041444310 /nfs/dbraw/zinc/44/43/10/1041444310.db2.gz PTWVZNLUTGTOBD-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO COCCC[N@H+](Cc1c[nH]c2c1cccc2Br)C1CCNCC1 ZINC001235937713 1041444314 /nfs/dbraw/zinc/44/43/14/1041444314.db2.gz PTWVZNLUTGTOBD-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO COCCC[N@@H+](Cc1c[nH]c2c1cccc2Br)C1CCNCC1 ZINC001235937713 1041444320 /nfs/dbraw/zinc/44/43/20/1041444320.db2.gz PTWVZNLUTGTOBD-UHFFFAOYSA-N 1 3 380.330 3.521 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(F)(F)[C@]2(CCN(C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256075460 1041509411 /nfs/dbraw/zinc/50/94/11/1041509411.db2.gz LNQVVINIDMACAU-FQEVSTJZSA-N 1 3 399.526 3.581 20 0 GHADHO COC(=O)[C@@H](C[NH3+])Cc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001236252097 1041643988 /nfs/dbraw/zinc/64/39/88/1041643988.db2.gz YPYOBESVXKNMIW-OAQYLSRUSA-N 1 3 384.495 3.769 20 0 GHADHO COc1ccc2n[nH]c(CN(Cc3ccc(F)cc3)CC3CC[NH2+]CC3)c2c1 ZINC001236380990 1041690660 /nfs/dbraw/zinc/69/06/60/1041690660.db2.gz JANFCMKSOSIHFS-UHFFFAOYSA-N 1 3 382.483 3.712 20 0 GHADHO CC(C)N(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC001236525634 1041753465 /nfs/dbraw/zinc/75/34/65/1041753465.db2.gz AHXUZELPSJBDTP-DEOSSOPVSA-N 1 3 392.591 3.581 20 0 GHADHO COc1ccc(Br)c(CN(CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236540982 1041756811 /nfs/dbraw/zinc/75/68/11/1041756811.db2.gz PMASNSCKVQXMCC-SHTZXODSSA-N 1 3 382.346 3.725 20 0 GHADHO N[C@@H]1CC[N@@H+](C2CCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)CC2)C1 ZINC001236615907 1041782513 /nfs/dbraw/zinc/78/25/13/1041782513.db2.gz KJQZBDFUFINYPJ-HXUWFJFHSA-N 1 3 399.966 3.916 20 0 GHADHO N[C@@H]1CC[N@H+](C2CCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)CC2)C1 ZINC001236615907 1041782516 /nfs/dbraw/zinc/78/25/16/1041782516.db2.gz KJQZBDFUFINYPJ-HXUWFJFHSA-N 1 3 399.966 3.916 20 0 GHADHO FC(F)(F)CN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001462566844 1070372930 /nfs/dbraw/zinc/37/29/30/1070372930.db2.gz PUUJGNDNJSENDX-YRPNKDGESA-N 1 3 381.486 3.656 20 0 GHADHO FC(F)(F)CN1CCC[C@H]1CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001462566844 1070372951 /nfs/dbraw/zinc/37/29/51/1070372951.db2.gz PUUJGNDNJSENDX-YRPNKDGESA-N 1 3 381.486 3.656 20 0 GHADHO FC(F)(F)CN1CCC[C@H]1CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462566844 1070372972 /nfs/dbraw/zinc/37/29/72/1070372972.db2.gz PUUJGNDNJSENDX-YRPNKDGESA-N 1 3 381.486 3.656 20 0 GHADHO COC(=O)c1ccc(CN(Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236742055 1041869007 /nfs/dbraw/zinc/86/90/07/1041869007.db2.gz NDNURYFGLVUSRK-QAQDUYKDSA-N 1 3 376.497 3.946 20 0 GHADHO COC(=O)c1cc2cc(C[NH+]3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001237311255 1042139375 /nfs/dbraw/zinc/13/93/75/1042139375.db2.gz QMHPZXJFJXHYBA-SFTDATJTSA-N 1 3 389.499 3.518 20 0 GHADHO COc1c(C)cnc(C[NH+]2CCC3(CC2)CN(Cc2ccccc2)CCO3)c1C ZINC001238176251 1042509553 /nfs/dbraw/zinc/50/95/53/1042509553.db2.gz NBSWYGLLWWEAAC-UHFFFAOYSA-N 1 3 395.547 3.574 20 0 GHADHO CN(C)CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001239307649 1042806394 /nfs/dbraw/zinc/80/63/94/1042806394.db2.gz FXOVYYARTAQJDL-IBGZPJMESA-N 1 3 382.508 3.626 20 0 GHADHO CN1CCN(Cc2cccc(-c3ccc4c(c3)C3(CC4)CC[NH2+]CC3)c2)CC1 ZINC001240292960 1042919185 /nfs/dbraw/zinc/91/91/85/1042919185.db2.gz SICVKDQAGWUZHU-UHFFFAOYSA-N 1 3 375.560 3.668 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256522826 1043446478 /nfs/dbraw/zinc/44/64/78/1043446478.db2.gz KDVGHYNUHSDHSK-AUSIDOKSSA-N 1 3 380.532 3.935 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256522826 1043446494 /nfs/dbraw/zinc/44/64/94/1043446494.db2.gz KDVGHYNUHSDHSK-AUSIDOKSSA-N 1 3 380.532 3.935 20 0 GHADHO CC(C)(C)N1CCC([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)CC1 ZINC001256565918 1043539711 /nfs/dbraw/zinc/53/97/11/1043539711.db2.gz CFXCPOMSEXVOOO-UHFFFAOYSA-N 1 3 381.568 3.699 20 0 GHADHO Cc1cccc(CN2C(=O)CCC23CC[NH+](C2CCN(C(C)(C)C)CC2)CC3)n1 ZINC001256573244 1043546570 /nfs/dbraw/zinc/54/65/70/1043546570.db2.gz LDEXPFNEWUTJHJ-UHFFFAOYSA-N 1 3 398.595 3.610 20 0 GHADHO [NH3+][C@@H]1CCc2c3cc(F)ccc3n(C3CCN(Cc4ccncc4)CC3)c2C1 ZINC001256586083 1043554890 /nfs/dbraw/zinc/55/48/90/1043554890.db2.gz VNTGEMHTWVVQRP-GOSISDBHSA-N 1 3 378.495 3.829 20 0 GHADHO Brc1cccc(C2(C[NH2+]C3CCC(N4CCOCC4)CC3)CC2)c1 ZINC001256683471 1043619795 /nfs/dbraw/zinc/61/97/95/1043619795.db2.gz CXOBQTATPZSCFD-UHFFFAOYSA-N 1 3 393.369 3.714 20 0 GHADHO Clc1ccccc1CC1([NH2+]C2CCC(N3CCOCC3)CC2)CCOCC1 ZINC001256685421 1043620868 /nfs/dbraw/zinc/62/08/68/1043620868.db2.gz FMUQCCHFCQNMGP-UHFFFAOYSA-N 1 3 392.971 3.665 20 0 GHADHO CC(C)([NH2+]C1CCC(N2CCOCC2)CC1)c1cccc(Br)c1 ZINC001256683821 1043620989 /nfs/dbraw/zinc/62/09/89/1043620989.db2.gz IPZWTOZNIGSLRM-UHFFFAOYSA-N 1 3 381.358 3.917 20 0 GHADHO COc1cccc(-c2nc(C[NH2+]C3CCC(N4CCOCC4)CC3)cs2)c1 ZINC001256689167 1043623555 /nfs/dbraw/zinc/62/35/55/1043623555.db2.gz RRUPDJJCXABFTK-UHFFFAOYSA-N 1 3 387.549 3.552 20 0 GHADHO Brc1ccc([C@@H]2C[C@H]2[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256688719 1043624244 /nfs/dbraw/zinc/62/42/44/1043624244.db2.gz JHZOQDLMBIIQFF-WZOJCFFYSA-N 1 3 379.342 3.538 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC(N)(c3ccccc3C(F)(F)F)CC2)C1 ZINC001257037404 1043813475 /nfs/dbraw/zinc/81/34/75/1043813475.db2.gz CDFPOZYDQSRVBK-CABCVRRESA-N 1 3 384.442 3.687 20 0 GHADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001257039655 1043814297 /nfs/dbraw/zinc/81/42/97/1043814297.db2.gz LKTVTVXFIBPXDY-PKOBYXMFSA-N 1 3 378.944 3.873 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001257039652 1043814522 /nfs/dbraw/zinc/81/45/22/1043814522.db2.gz LKTVTVXFIBPXDY-MJGOQNOKSA-N 1 3 378.944 3.873 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C)([NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC001257975108 1044298781 /nfs/dbraw/zinc/29/87/81/1044298781.db2.gz CAUZXLRUCIFHDG-VQTJNVASSA-N 1 3 387.568 3.810 20 0 GHADHO CCn1c2ccccc2nc1N1CCC[C@@H]([NH2+]C2CCN(CC(C)C)CC2)C1 ZINC001258007617 1044333054 /nfs/dbraw/zinc/33/30/54/1044333054.db2.gz JVBHNCHRPKXPOY-HXUWFJFHSA-N 1 3 383.584 3.735 20 0 GHADHO CCn1c2ccccc2nc1N1CCC[C@@H](NC2CC[NH+](CC(C)C)CC2)C1 ZINC001258007617 1044333071 /nfs/dbraw/zinc/33/30/71/1044333071.db2.gz JVBHNCHRPKXPOY-HXUWFJFHSA-N 1 3 383.584 3.735 20 0 GHADHO CC[C@@H]1N(C2CC[NH+](CC(C)C)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001258011689 1044336259 /nfs/dbraw/zinc/33/62/59/1044336259.db2.gz KMQMBUUWBUFUKQ-GMAHTHKFSA-N 1 3 375.601 3.752 20 0 GHADHO COCC[C@@H]1CO[C@]2(C1)CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143654 1044429202 /nfs/dbraw/zinc/42/92/02/1044429202.db2.gz OKWCQRAVUIRRTQ-UPVQGACJSA-N 1 3 386.580 3.601 20 0 GHADHO CCN([C@H]1CCOC1)C1CC[NH+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258544552 1044620972 /nfs/dbraw/zinc/62/09/72/1044620972.db2.gz LHXBFVJNYRZVPD-FQEVSTJZSA-N 1 3 391.987 3.884 20 0 GHADHO CCC[NH+]1CCC(NC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC001258770924 1044757045 /nfs/dbraw/zinc/75/70/45/1044757045.db2.gz UZPGBSZHYMFEBU-UHFFFAOYSA-N 1 3 381.358 3.919 20 0 GHADHO CC(C)C1CCC([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC1 ZINC001258798150 1044767161 /nfs/dbraw/zinc/76/71/61/1044767161.db2.gz UMWWWGXANOBVMC-KITAHSCOSA-N 1 3 385.596 3.606 20 0 GHADHO COc1cc(C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H](C)CN)cc(OC)c1OC ZINC001258861509 1044800087 /nfs/dbraw/zinc/80/00/87/1044800087.db2.gz GBWXTTIJJFMTFX-QZTJIDSGSA-N 1 3 386.536 3.740 20 0 GHADHO COc1cc(C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H](C)CN)cc(OC)c1OC ZINC001258861509 1044800109 /nfs/dbraw/zinc/80/01/09/1044800109.db2.gz GBWXTTIJJFMTFX-QZTJIDSGSA-N 1 3 386.536 3.740 20 0 GHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001298378657 1045790688 /nfs/dbraw/zinc/79/06/88/1045790688.db2.gz MSZBSPXHKCIZAH-GOTSBHOMSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001298378657 1045790702 /nfs/dbraw/zinc/79/07/02/1045790702.db2.gz MSZBSPXHKCIZAH-GOTSBHOMSA-N 1 3 385.596 3.520 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001262257830 1046222655 /nfs/dbraw/zinc/22/26/55/1046222655.db2.gz UDTLZNYBTQAYEV-MANSERQUSA-N 1 3 379.589 3.922 20 0 GHADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cnc(Cl)c(Cl)c1Cl)CC2 ZINC001279813938 1047957823 /nfs/dbraw/zinc/95/78/23/1047957823.db2.gz AVHAUTHSQWTRGA-UHFFFAOYSA-N 1 3 391.774 3.501 20 0 GHADHO C[NH+](C)Cc1ccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1C(F)(F)F ZINC001288762204 1049220804 /nfs/dbraw/zinc/22/08/04/1049220804.db2.gz NMAXTCZMODEWAQ-GOSISDBHSA-N 1 3 389.437 3.918 20 0 GHADHO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1(c2ccccc2)CCCC1 ZINC001307693788 1049512042 /nfs/dbraw/zinc/51/20/42/1049512042.db2.gz XNZOKFWNLWHUOH-NZQKXSOJSA-N 1 3 393.575 3.896 20 0 GHADHO Cc1cc(C)c(NC(=O)CCCN2CCN(c3cc[nH+]cc3)C[C@H]2C)c(C)c1 ZINC001308089227 1049835562 /nfs/dbraw/zinc/83/55/62/1049835562.db2.gz LEXOLXDYNNWYTC-HXUWFJFHSA-N 1 3 380.536 3.936 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccc(CNCc3cn4cc(Cl)ccc4n3)cc2)C[C@H](C)O1 ZINC001308196066 1049908277 /nfs/dbraw/zinc/90/82/77/1049908277.db2.gz AOTLMDLCVFSWLG-CALCHBBNSA-N 1 3 398.938 3.887 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccc(CNCc3cn4cc(Cl)ccc4n3)cc2)C[C@H](C)O1 ZINC001308196066 1049908280 /nfs/dbraw/zinc/90/82/80/1049908280.db2.gz AOTLMDLCVFSWLG-CALCHBBNSA-N 1 3 398.938 3.887 20 0 GHADHO c1ccc(CCN2CC[C@@H](C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 ZINC001308247045 1049925692 /nfs/dbraw/zinc/92/56/92/1049925692.db2.gz PTDAJKFCYFZCAC-UKILVPOCSA-N 1 3 394.559 3.899 20 0 GHADHO CC(C)(C)[C@]1(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001308693414 1050061326 /nfs/dbraw/zinc/06/13/26/1050061326.db2.gz TWXBHTBSYURXBA-IBPRQYQWSA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001308693414 1050061331 /nfs/dbraw/zinc/06/13/31/1050061331.db2.gz TWXBHTBSYURXBA-IBPRQYQWSA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CCN(Cc2ccccc2)C1 ZINC001308693414 1050061334 /nfs/dbraw/zinc/06/13/34/1050061334.db2.gz TWXBHTBSYURXBA-IBPRQYQWSA-N 1 3 383.580 3.511 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CCN(Cc2ccccc2)C1 ZINC001308693414 1050061337 /nfs/dbraw/zinc/06/13/37/1050061337.db2.gz TWXBHTBSYURXBA-IBPRQYQWSA-N 1 3 383.580 3.511 20 0 GHADHO c1ccc([C@H](CN2CC[C@H]3OCCC[C@@H]3C2)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019094 1051634405 /nfs/dbraw/zinc/63/44/05/1051634405.db2.gz LELQTTMOSFSCHA-JYSSUKAJSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@H](CN2CC[C@H]3OCCC[C@@H]3C2)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019094 1051634423 /nfs/dbraw/zinc/63/44/23/1051634423.db2.gz LELQTTMOSFSCHA-JYSSUKAJSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@@H](CN2CC[C@@H]3OCCC[C@@H]3C2)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001333019094 1051634431 /nfs/dbraw/zinc/63/44/31/1051634431.db2.gz LELQTTMOSFSCHA-JYSSUKAJSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@@H](CN2CC[C@@H]3OCCC[C@@H]3C2)C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001333019094 1051634450 /nfs/dbraw/zinc/63/44/50/1051634450.db2.gz LELQTTMOSFSCHA-JYSSUKAJSA-N 1 3 398.591 3.772 20 0 GHADHO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001312649060 1052825981 /nfs/dbraw/zinc/82/59/81/1052825981.db2.gz TWGQJFZJYMJMGE-PKTZIBPZSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001312649060 1052825985 /nfs/dbraw/zinc/82/59/85/1052825985.db2.gz TWGQJFZJYMJMGE-PKTZIBPZSA-N 1 3 398.595 3.699 20 0 GHADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001312818730 1052881729 /nfs/dbraw/zinc/88/17/29/1052881729.db2.gz ODJDSOMIXJKPDO-RBBKRZOGSA-N 1 3 388.600 3.519 20 0 GHADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC001312818730 1052881733 /nfs/dbraw/zinc/88/17/33/1052881733.db2.gz ODJDSOMIXJKPDO-RBBKRZOGSA-N 1 3 388.600 3.519 20 0 GHADHO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001318106203 1054415438 /nfs/dbraw/zinc/41/54/38/1054415438.db2.gz SKLCWRRLHFAUBB-NRFANRHFSA-N 1 3 378.520 3.528 20 0 GHADHO CN(C)Cc1ccc(NC(=O)C2(C(F)(F)F)CC[NH2+]CC2)cc1C(F)(F)F ZINC001344584342 1054579693 /nfs/dbraw/zinc/57/96/93/1054579693.db2.gz RWHZDMYINYJNIQ-UHFFFAOYSA-N 1 3 397.363 3.638 20 0 GHADHO CC[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc2c(c1)CCO2 ZINC001319190148 1055088506 /nfs/dbraw/zinc/08/85/06/1055088506.db2.gz MULQCMWYLLSLIZ-QHCPKHFHSA-N 1 3 379.548 3.610 20 0 GHADHO COc1cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC000848575373 1057189044 /nfs/dbraw/zinc/18/90/44/1057189044.db2.gz PKWXUPQNUFGZBA-CVEARBPZSA-N 1 3 383.330 3.573 20 0 GHADHO COc1cc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC000848575373 1057189047 /nfs/dbraw/zinc/18/90/47/1057189047.db2.gz PKWXUPQNUFGZBA-CVEARBPZSA-N 1 3 383.330 3.573 20 0 GHADHO CC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)Cc2ccccc2C1 ZINC000849057299 1057569407 /nfs/dbraw/zinc/56/94/07/1057569407.db2.gz MOHVVRPKFGKBEP-UHFFFAOYSA-N 1 3 376.548 3.570 20 0 GHADHO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCN2CCc3ccccc3C2)c1 ZINC000849064054 1057574488 /nfs/dbraw/zinc/57/44/88/1057574488.db2.gz YZBLSDGTOGLHQU-UHFFFAOYSA-N 1 3 396.535 3.869 20 0 GHADHO Cc1ccc2c(CCNC(=[NH2+])NC3CCN(Cc4ccccc4)CC3)c[nH]c2c1 ZINC000849073027 1057581666 /nfs/dbraw/zinc/58/16/66/1057581666.db2.gz CEIOGGKXJGGKCK-UHFFFAOYSA-N 1 3 389.547 3.797 20 0 GHADHO [NH2+]=C(NC[C@H]1CCc2ccccc2C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849075715 1057583224 /nfs/dbraw/zinc/58/32/24/1057583224.db2.gz NYXZNMXHIVEUQM-FQEVSTJZSA-N 1 3 376.548 3.570 20 0 GHADHO [NH2+]=C(NCc1coc(-c2ccccc2)n1)NC1CCN(Cc2ccccc2)CC1 ZINC000849089066 1057589840 /nfs/dbraw/zinc/58/98/40/1057589840.db2.gz OTMRLPYSOAQGIP-UHFFFAOYSA-N 1 3 389.503 3.620 20 0 GHADHO Cc1ccccc1O[C@@H](C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849093477 1057591714 /nfs/dbraw/zinc/59/17/14/1057591714.db2.gz UDJSQWCOVDDCHD-IBGZPJMESA-N 1 3 380.536 3.541 20 0 GHADHO CC[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)Oc1ccccc1F ZINC000849096638 1057592865 /nfs/dbraw/zinc/59/28/65/1057592865.db2.gz CNUCQSRLPCGGPB-FQEVSTJZSA-N 1 3 398.526 3.762 20 0 GHADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001441245044 1058736181 /nfs/dbraw/zinc/73/61/81/1058736181.db2.gz UPIRDZJSUWCUSM-FCHUYYIVSA-N 1 3 383.580 3.594 20 0 GHADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001441245044 1058736197 /nfs/dbraw/zinc/73/61/97/1058736197.db2.gz UPIRDZJSUWCUSM-FCHUYYIVSA-N 1 3 383.580 3.594 20 0 GHADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCCCN2Cc2cccc(C)c2)CC1 ZINC001455897090 1062341811 /nfs/dbraw/zinc/34/18/11/1062341811.db2.gz VEHYYWGDHUEYRI-JOCHJYFZSA-N 1 3 383.580 3.826 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001464785323 1065210282 /nfs/dbraw/zinc/21/02/82/1065210282.db2.gz BVCQQHCNUTVADV-RPWUZVMVSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001464785323 1065210291 /nfs/dbraw/zinc/21/02/91/1065210291.db2.gz BVCQQHCNUTVADV-RPWUZVMVSA-N 1 3 391.559 3.852 20 0 GHADHO Cc1cc(NC(=O)[C@H](C(C)C)N2CCCCC2)ccc1OCC[NH+]1CCCC1 ZINC001465285388 1065526120 /nfs/dbraw/zinc/52/61/20/1065526120.db2.gz VLQHTUIPNBNOKQ-QFIPXVFZSA-N 1 3 387.568 3.919 20 0 GHADHO CCN(CC)Cc1ccc(C(=O)Nc2ccc3nc(C4CC[NH2+]CC4)[nH]c3c2)o1 ZINC001358068489 1067385808 /nfs/dbraw/zinc/38/58/08/1067385808.db2.gz FUIUUTNMRWXXMB-UHFFFAOYSA-N 1 3 395.507 3.717 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902349 1067520866 /nfs/dbraw/zinc/52/08/66/1067520866.db2.gz CBHCKPJWTZOGRI-ICSRJNTNSA-N 1 3 379.976 3.961 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902349 1067520868 /nfs/dbraw/zinc/52/08/68/1067520868.db2.gz CBHCKPJWTZOGRI-ICSRJNTNSA-N 1 3 379.976 3.961 20 0 GHADHO CN1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC12CCCCC2 ZINC001468224997 1067638738 /nfs/dbraw/zinc/63/87/38/1067638738.db2.gz FRXOLZIFHYNAGQ-UHFFFAOYSA-N 1 3 383.580 3.766 20 0 GHADHO CCO[C@@H]1C[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C12CCCC2 ZINC000849098698 1067725726 /nfs/dbraw/zinc/72/57/26/1067725726.db2.gz NRBHDCAKXLRABA-LEWJYISDSA-N 1 3 384.568 3.503 20 0 GHADHO [NH2+]=C(NC[C@H]1CCCCC(F)(F)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849102526 1067728516 /nfs/dbraw/zinc/72/85/16/1067728516.db2.gz KXASQVBVOAOCDQ-SFHVURJKSA-N 1 3 378.511 3.981 20 0 GHADHO CCCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001470046518 1068540971 /nfs/dbraw/zinc/54/09/71/1068540971.db2.gz MIJBMIMYKXPFGW-IFMALSPDSA-N 1 3 388.600 3.803 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC001470386414 1068715105 /nfs/dbraw/zinc/71/51/05/1068715105.db2.gz AWPYSDOJIQETGL-GHTZIAJQSA-N 1 3 376.589 3.516 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC001470386414 1068715115 /nfs/dbraw/zinc/71/51/15/1068715115.db2.gz AWPYSDOJIQETGL-GHTZIAJQSA-N 1 3 376.589 3.516 20 0 GHADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001460148929 1068813647 /nfs/dbraw/zinc/81/36/47/1068813647.db2.gz CAKYFUDOTODDPR-XMMPIXPASA-N 1 3 399.579 3.898 20 0 GHADHO C[N@H+]1CCC[C@@]2(CCN(Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001460148929 1068813667 /nfs/dbraw/zinc/81/36/67/1068813667.db2.gz CAKYFUDOTODDPR-XMMPIXPASA-N 1 3 399.579 3.898 20 0 GHADHO CN(CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001460801784 1069189995 /nfs/dbraw/zinc/18/99/95/1069189995.db2.gz ANNPJOJURDYIMH-NHCUHLMSSA-N 1 3 387.568 3.697 20 0 GHADHO CN(CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001460801784 1069190004 /nfs/dbraw/zinc/19/00/04/1069190004.db2.gz ANNPJOJURDYIMH-NHCUHLMSSA-N 1 3 387.568 3.697 20 0 GHADHO CCC(C)(C)[NH+]1CCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC001478701443 1078960756 /nfs/dbraw/zinc/96/07/56/1078960756.db2.gz VRFPTUJFILUGLQ-LJQANCHMSA-N 1 3 392.613 3.527 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001471217008 1072970545 /nfs/dbraw/zinc/97/05/45/1072970545.db2.gz ZTQWGJZFBNEVEU-FYYLOGMGSA-N 1 3 383.580 3.812 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001471217008 1072970548 /nfs/dbraw/zinc/97/05/48/1072970548.db2.gz ZTQWGJZFBNEVEU-FYYLOGMGSA-N 1 3 383.580 3.812 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)C2)cc1 ZINC001471314406 1073013064 /nfs/dbraw/zinc/01/30/64/1073013064.db2.gz JWEYFAKESWCBMH-BJKOFHAPSA-N 1 3 391.559 3.565 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)[C@@H]1C ZINC001473390171 1073945979 /nfs/dbraw/zinc/94/59/79/1073945979.db2.gz XVRMSWVYAJECOD-UEVCKROQSA-N 1 3 380.532 3.786 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)[C@@H]1C ZINC001473390171 1073945982 /nfs/dbraw/zinc/94/59/82/1073945982.db2.gz XVRMSWVYAJECOD-UEVCKROQSA-N 1 3 380.532 3.786 20 0 GHADHO O=C(NC1CC1)OC[C@H]1CCCCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001473526630 1074002088 /nfs/dbraw/zinc/00/20/88/1074002088.db2.gz HQPZXPWFTBQMLM-JOCHJYFZSA-N 1 3 385.552 3.916 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3CCCC34CCCCC4)cc2)CC1 ZINC001473640761 1074062366 /nfs/dbraw/zinc/06/23/66/1074062366.db2.gz XZLDLRDMDJPYQP-JOCHJYFZSA-N 1 3 398.595 3.860 20 0 GHADHO COCCn1cc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cn1 ZINC001473926004 1074206302 /nfs/dbraw/zinc/20/63/02/1074206302.db2.gz KMLFANYDBMNDRK-UHFFFAOYSA-N 1 3 378.520 3.548 20 0 GHADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(-c4cccs4)s3)C2)[C@H]1C(C)C ZINC001550424103 1126207005 /nfs/dbraw/zinc/20/70/05/1126207005.db2.gz XZVGCDULBPEMIA-YTXYEVPYSA-N 1 3 391.606 3.831 20 0 GHADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(-c4cccs4)s3)C2)[C@H]1C(C)C ZINC001550424103 1126207007 /nfs/dbraw/zinc/20/70/07/1126207007.db2.gz XZVGCDULBPEMIA-YTXYEVPYSA-N 1 3 391.606 3.831 20 0 GHADHO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543778 837475061 /nfs/dbraw/zinc/47/50/61/837475061.db2.gz RVAAHJYFPRUHDL-IAGOWNOFSA-N 1 3 385.533 3.750 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000583526367 834570966 /nfs/dbraw/zinc/57/09/66/834570966.db2.gz IKBWJMOANSCVPN-VOFXCDAESA-N 1 3 382.552 3.623 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000583526367 834570972 /nfs/dbraw/zinc/57/09/72/834570972.db2.gz IKBWJMOANSCVPN-VOFXCDAESA-N 1 3 382.552 3.623 20 0 GHADHO CCCOc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OCC ZINC000650722194 834687936 /nfs/dbraw/zinc/68/79/36/834687936.db2.gz MYLRHUISWUMFOQ-QKNQBKEWSA-N 1 3 376.541 3.735 20 0 GHADHO CCOc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1OC(F)F ZINC000650722378 834689917 /nfs/dbraw/zinc/68/99/17/834689917.db2.gz RFDAFSMOAHARGT-JZXOWHBKSA-N 1 3 384.467 3.548 20 0 GHADHO c1ncn(-c2ccc(CNC[C@H]3C[N@H+](Cc4ccccc4)CC34CCC4)cc2)n1 ZINC000657772958 834720118 /nfs/dbraw/zinc/72/01/18/834720118.db2.gz YIWZMDGHZKIAHA-QFIPXVFZSA-N 1 3 387.531 3.659 20 0 GHADHO c1ncn(-c2ccc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cc2)n1 ZINC000657772958 834720122 /nfs/dbraw/zinc/72/01/22/834720122.db2.gz YIWZMDGHZKIAHA-QFIPXVFZSA-N 1 3 387.531 3.659 20 0 GHADHO c1ncn(-c2ccc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CC34CCC4)cc2)n1 ZINC000657772958 834720126 /nfs/dbraw/zinc/72/01/26/834720126.db2.gz YIWZMDGHZKIAHA-QFIPXVFZSA-N 1 3 387.531 3.659 20 0 GHADHO Cn1c2ccc(C(F)(F)F)cc2nc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812470 835329055 /nfs/dbraw/zinc/32/90/55/835329055.db2.gz CZLLKLZABGLMCL-UHFFFAOYSA-N 1 3 380.458 3.804 20 0 GHADHO C[C@@H](c1cccc(F)c1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179448707 835561533 /nfs/dbraw/zinc/56/15/33/835561533.db2.gz QZSPMBIPMLWBRU-SFHVURJKSA-N 1 3 375.532 3.591 20 0 GHADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000584158976 835716635 /nfs/dbraw/zinc/71/66/35/835716635.db2.gz SWJWYAAUAKBBLK-UYAOXDASSA-N 1 3 383.511 3.963 20 0 GHADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000584158973 835716937 /nfs/dbraw/zinc/71/69/37/835716937.db2.gz SWJWYAAUAKBBLK-AZUAARDMSA-N 1 3 383.511 3.963 20 0 GHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(c3noc(C(C)C)n3)CC2)CC1 ZINC000513037780 844134623 /nfs/dbraw/zinc/13/46/23/844134623.db2.gz UOERLYARGDKPBJ-UHFFFAOYSA-N 1 3 397.567 3.715 20 0 GHADHO COc1ccc([C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)N2CCCC2)cc1 ZINC000431654713 836174601 /nfs/dbraw/zinc/17/46/01/836174601.db2.gz SEHXFIPUHDUSKY-PKTZIBPZSA-N 1 3 395.547 3.641 20 0 GHADHO CC[C@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000413791179 836339015 /nfs/dbraw/zinc/33/90/15/836339015.db2.gz LEFDGRDDGPWMHC-CUCSMPGESA-N 1 3 377.960 3.710 20 0 GHADHO CC[C@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000413791179 836339023 /nfs/dbraw/zinc/33/90/23/836339023.db2.gz LEFDGRDDGPWMHC-CUCSMPGESA-N 1 3 377.960 3.710 20 0 GHADHO CCc1cccc(Cl)c1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000579893141 836844987 /nfs/dbraw/zinc/84/49/87/836844987.db2.gz TXOIHBJZVIHMCA-UHFFFAOYSA-N 1 3 391.987 3.717 20 0 GHADHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000414311826 837044593 /nfs/dbraw/zinc/04/45/93/837044593.db2.gz VNLOYNQFUKQSPT-NRFANRHFSA-N 1 3 396.531 3.526 20 0 GHADHO CCC[C@](C)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000892522274 837258389 /nfs/dbraw/zinc/25/83/89/837258389.db2.gz VTMJXZICHKDDSC-QHCPKHFHSA-N 1 3 386.584 3.560 20 0 GHADHO FC(F)(F)c1ccccc1OCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466922602 837348965 /nfs/dbraw/zinc/34/89/65/837348965.db2.gz AWLNWLIIPLMVTM-UHFFFAOYSA-N 1 3 386.458 3.661 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000659863079 837878128 /nfs/dbraw/zinc/87/81/28/837878128.db2.gz GDZSOFYNOPOVRM-SFTDATJTSA-N 1 3 377.617 3.715 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377764314 837939859 /nfs/dbraw/zinc/93/98/59/837939859.db2.gz QWIRTNSPGYGRJY-FGZHOGPDSA-N 1 3 392.547 3.734 20 0 GHADHO CN(C)Cc1cccc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377764314 837939866 /nfs/dbraw/zinc/93/98/66/837939866.db2.gz QWIRTNSPGYGRJY-FGZHOGPDSA-N 1 3 392.547 3.734 20 0 GHADHO Cc1ccccc1NC(=O)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177503247 837985627 /nfs/dbraw/zinc/98/56/27/837985627.db2.gz KMJJENNPVFIIJF-PMACEKPBSA-N 1 3 387.568 3.535 20 0 GHADHO C[C@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H](c1ccccc1)N(C)C ZINC000415947884 838302378 /nfs/dbraw/zinc/30/23/78/838302378.db2.gz BJTGDTMRYYSETC-UGSOOPFHSA-N 1 3 394.441 3.977 20 0 GHADHO CCN(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000415975975 838353240 /nfs/dbraw/zinc/35/32/40/838353240.db2.gz QFWMBNDWIFNCGH-IBGZPJMESA-N 1 3 396.510 3.600 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000415996409 838373964 /nfs/dbraw/zinc/37/39/64/838373964.db2.gz MRNLTBCRLVSPKI-REWPJTCUSA-N 1 3 390.531 3.808 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415996409 838373969 /nfs/dbraw/zinc/37/39/69/838373969.db2.gz MRNLTBCRLVSPKI-REWPJTCUSA-N 1 3 390.531 3.808 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000460344821 839118298 /nfs/dbraw/zinc/11/82/98/839118298.db2.gz DOBLVERLBCKXGI-OALUTQOASA-N 1 3 383.580 3.666 20 0 GHADHO Brc1cccc(OCCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415072846 839170263 /nfs/dbraw/zinc/17/02/63/839170263.db2.gz AEBORYUXKGPZGI-PKOBYXMFSA-N 1 3 375.310 3.911 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OCC ZINC000415107701 839219805 /nfs/dbraw/zinc/21/98/05/839219805.db2.gz LJLGJKSXTTUMIG-NFBKMPQASA-N 1 3 390.568 3.983 20 0 GHADHO Cc1cc(C)cc(-c2ccc(C[N@@H+]3CCC[C@H](n4cc(CN)nn4)C3)cc2)c1 ZINC000415120017 839238098 /nfs/dbraw/zinc/23/80/98/839238098.db2.gz FQYWWQDHKPIBFI-QHCPKHFHSA-N 1 3 375.520 3.858 20 0 GHADHO Cc1cc(C)cc(-c2ccc(C[N@H+]3CCC[C@H](n4cc(CN)nn4)C3)cc2)c1 ZINC000415120017 839238102 /nfs/dbraw/zinc/23/81/02/839238102.db2.gz FQYWWQDHKPIBFI-QHCPKHFHSA-N 1 3 375.520 3.858 20 0 GHADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000415137144 839261987 /nfs/dbraw/zinc/26/19/87/839261987.db2.gz XTTALYQCYMAAFD-VWNXMTODSA-N 1 3 380.532 3.984 20 0 GHADHO CC(C)(CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)N1CCc2ccccc2C1 ZINC000548085520 839390810 /nfs/dbraw/zinc/39/08/10/839390810.db2.gz XOFQYBTZFBZTHS-UHFFFAOYSA-N 1 3 391.559 3.849 20 0 GHADHO CC(C)Oc1ccc2nccc(NCC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000664152000 844460307 /nfs/dbraw/zinc/46/03/07/844460307.db2.gz GYVMMOBXPVGJOB-UHFFFAOYSA-N 1 3 383.536 3.747 20 0 GHADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001167433908 840151363 /nfs/dbraw/zinc/15/13/63/840151363.db2.gz OWZRTHWAPKDYQW-SFHVURJKSA-N 1 3 389.367 3.785 20 0 GHADHO COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000580850659 840337695 /nfs/dbraw/zinc/33/76/95/840337695.db2.gz VMTIIIVTONUFEL-QHCPKHFHSA-N 1 3 395.547 3.714 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000511710858 840543667 /nfs/dbraw/zinc/54/36/67/840543667.db2.gz ZHYPRNDFDAFBLJ-HXUWFJFHSA-N 1 3 393.522 3.525 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3ccccc3F)CC2)CC1 ZINC000581319194 841070974 /nfs/dbraw/zinc/07/09/74/841070974.db2.gz UHBDQRAXMXEDAR-KRWDZBQOSA-N 1 3 375.532 3.541 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000107700706 841425184 /nfs/dbraw/zinc/42/51/84/841425184.db2.gz MJVDKIODBSPPMJ-JOCHJYFZSA-N 1 3 382.552 3.631 20 0 GHADHO COC(=O)Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000600184144 861207116 /nfs/dbraw/zinc/20/71/16/861207116.db2.gz GMUFHYUQDLPMTQ-QFIPXVFZSA-N 1 3 378.516 3.689 20 0 GHADHO COC(=O)Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000600184144 861207129 /nfs/dbraw/zinc/20/71/29/861207129.db2.gz GMUFHYUQDLPMTQ-QFIPXVFZSA-N 1 3 378.516 3.689 20 0 GHADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000651817710 841649965 /nfs/dbraw/zinc/64/99/65/841649965.db2.gz XVZLORFROVVNPP-FCHUYYIVSA-N 1 3 388.596 3.956 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131222722 861268893 /nfs/dbraw/zinc/26/88/93/861268893.db2.gz NTTYJPHQIOLDAI-IRLDBZIGSA-N 1 3 387.543 3.515 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(-c2ccccc2)o1 ZINC000177827893 861273518 /nfs/dbraw/zinc/27/35/18/861273518.db2.gz UZJWTKMMZDECPE-SFHVURJKSA-N 1 3 376.504 3.944 20 0 GHADHO Cc1cc([C@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)sc1Br ZINC000512032578 842214220 /nfs/dbraw/zinc/21/42/20/842214220.db2.gz VMMRLWMVSIJRAK-UONOGXRCSA-N 1 3 375.376 3.562 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)cc1 ZINC000512068067 842394196 /nfs/dbraw/zinc/39/41/96/842394196.db2.gz POAISPSOPBAXTP-ONEGZZNKSA-N 1 3 399.485 3.593 20 0 GHADHO C[C@H](NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1=CCN(C)CC1 ZINC000510484983 842497124 /nfs/dbraw/zinc/49/71/24/842497124.db2.gz ZLFTVPDCBAUYOP-ZCNNSNEGSA-N 1 3 398.595 3.614 20 0 GHADHO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1=CCN(C)CC1 ZINC000510484983 842497130 /nfs/dbraw/zinc/49/71/30/842497130.db2.gz ZLFTVPDCBAUYOP-ZCNNSNEGSA-N 1 3 398.595 3.614 20 0 GHADHO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297195 843093065 /nfs/dbraw/zinc/09/30/65/843093065.db2.gz OHVBQFNNVTVAPN-FXAWDEMLSA-N 1 3 383.536 3.664 20 0 GHADHO Clc1ccccc1OCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327177 843142035 /nfs/dbraw/zinc/14/20/35/843142035.db2.gz FHPBUMUDGAMIBG-UHFFFAOYSA-N 1 3 388.943 3.789 20 0 GHADHO Clc1ccccc1OCCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327177 843142045 /nfs/dbraw/zinc/14/20/45/843142045.db2.gz FHPBUMUDGAMIBG-UHFFFAOYSA-N 1 3 388.943 3.789 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3ccc(Br)cc32)C[C@@H](C)O1 ZINC000510674717 843170955 /nfs/dbraw/zinc/17/09/55/843170955.db2.gz JPXJSLRPQVPYHR-SPYBWZPUSA-N 1 3 381.358 3.915 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)N(C)C)cc1 ZINC000604184405 843646495 /nfs/dbraw/zinc/64/64/95/843646495.db2.gz RRVUXXGTUANQHQ-HSZRJFAPSA-N 1 3 396.579 3.680 20 0 GHADHO CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000512617937 844775790 /nfs/dbraw/zinc/77/57/90/844775790.db2.gz HAMVVXSFDZARRW-FDFHNCONSA-N 1 3 383.580 3.525 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)n1 ZINC000512626311 844805111 /nfs/dbraw/zinc/80/51/11/844805111.db2.gz TUSCCMDOZCYPKP-XWGVYQGASA-N 1 3 387.531 3.658 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)n1 ZINC000512626311 844805117 /nfs/dbraw/zinc/80/51/17/844805117.db2.gz TUSCCMDOZCYPKP-XWGVYQGASA-N 1 3 387.531 3.658 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000513267161 845158255 /nfs/dbraw/zinc/15/82/55/845158255.db2.gz KOHWQCCPFCQSAQ-ZEQRLZLVSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000513267161 845158261 /nfs/dbraw/zinc/15/82/61/845158261.db2.gz KOHWQCCPFCQSAQ-ZEQRLZLVSA-N 1 3 391.559 3.679 20 0 GHADHO CC1CCN([C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccs2)CC1 ZINC000236727682 845188267 /nfs/dbraw/zinc/18/82/67/845188267.db2.gz INQJJFGZTGRGBC-IPQPSQTFSA-N 1 3 375.582 3.558 20 0 GHADHO O=C(CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N(C1CC1)C1CCCC1 ZINC000433117345 845371823 /nfs/dbraw/zinc/37/18/23/845371823.db2.gz UPZFOFSLISCRDT-UHFFFAOYSA-N 1 3 395.591 3.908 20 0 GHADHO O=[S@@](CCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000433179951 845616844 /nfs/dbraw/zinc/61/68/44/845616844.db2.gz ZDCYPQCSDDJKEV-MHZLTWQESA-N 1 3 382.573 3.782 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000673771122 861651667 /nfs/dbraw/zinc/65/16/67/861651667.db2.gz URYMOVCIVIXBEP-HXUWFJFHSA-N 1 3 394.563 3.554 20 0 GHADHO Cn1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C2CCCCC2)n1 ZINC000414526294 846301752 /nfs/dbraw/zinc/30/17/52/846301752.db2.gz OLNMKHQVDJTLRP-UHFFFAOYSA-N 1 3 396.579 3.585 20 0 GHADHO Cn1cc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c(C2CCCCC2)n1 ZINC000414526294 846301762 /nfs/dbraw/zinc/30/17/62/846301762.db2.gz OLNMKHQVDJTLRP-UHFFFAOYSA-N 1 3 396.579 3.585 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000502858150 846553969 /nfs/dbraw/zinc/55/39/69/846553969.db2.gz HOFQVFDQWWNBJQ-IFMALSPDSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000502858150 846553972 /nfs/dbraw/zinc/55/39/72/846553972.db2.gz HOFQVFDQWWNBJQ-IFMALSPDSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000502875560 846560833 /nfs/dbraw/zinc/56/08/33/846560833.db2.gz MMBJHUGIVDWIGH-NHCUHLMSSA-N 1 3 388.600 3.518 20 0 GHADHO CC(C)[C@@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501045355 846570850 /nfs/dbraw/zinc/57/08/50/846570850.db2.gz IWRRBOCIZKNDKF-XMMPIXPASA-N 1 3 394.563 3.743 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@H](COc2ccccc2)c2ccccc2)CC1 ZINC000501036676 846583012 /nfs/dbraw/zinc/58/30/12/846583012.db2.gz NQMLGBKFHRMCSB-XMMPIXPASA-N 1 3 381.564 3.812 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(F)cc3Cl)CC2)CC1 ZINC000582189941 846607161 /nfs/dbraw/zinc/60/71/61/846607161.db2.gz GFGCPLYUCGMCIQ-UHFFFAOYSA-N 1 3 395.950 3.634 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3ccc4c(c3)oc(=O)n4C)cc2)C1 ZINC000509944769 846874610 /nfs/dbraw/zinc/87/46/10/846874610.db2.gz QOCLEFYWWBINJE-QZTJIDSGSA-N 1 3 393.531 3.899 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCC[NH+]2CCC(C)CC2)c2cccs2)CC1 ZINC000501549517 846995148 /nfs/dbraw/zinc/99/51/48/846995148.db2.gz IBXXGLGCYANBNH-IBGZPJMESA-N 1 3 392.613 3.552 20 0 GHADHO C[C@H](NCc1cccc(CN2CCCC2=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562531 847110671 /nfs/dbraw/zinc/11/06/71/847110671.db2.gz GYYJJWOTWNNJKM-RDPSFJRHSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H](NCc1cccc(CN2CCCC2=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562531 847110678 /nfs/dbraw/zinc/11/06/78/847110678.db2.gz GYYJJWOTWNNJKM-RDPSFJRHSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272562531 847110685 /nfs/dbraw/zinc/11/06/85/847110685.db2.gz GYYJJWOTWNNJKM-RDPSFJRHSA-N 1 3 391.559 3.809 20 0 GHADHO CCN1CCN(c2ccccc2N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000179776109 861771804 /nfs/dbraw/zinc/77/18/04/861771804.db2.gz LHWYFTHMHSGHBS-FQEVSTJZSA-N 1 3 396.579 3.942 20 0 GHADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000582544515 847528329 /nfs/dbraw/zinc/52/83/29/847528329.db2.gz REKXXHVWVAOVEK-FUHWJXTLSA-N 1 3 399.501 3.621 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3sccc3Br)CC2)CC1 ZINC000420986760 847593353 /nfs/dbraw/zinc/59/33/53/847593353.db2.gz YUSHENGMTYXREG-UHFFFAOYSA-N 1 3 386.403 3.503 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3sccc3Br)CC2)CC1 ZINC000420986760 847593356 /nfs/dbraw/zinc/59/33/56/847593356.db2.gz YUSHENGMTYXREG-UHFFFAOYSA-N 1 3 386.403 3.503 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361089 847639292 /nfs/dbraw/zinc/63/92/92/847639292.db2.gz LGYPAEINDYUCFU-JBACZVJFSA-N 1 3 398.551 3.530 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361089 847639295 /nfs/dbraw/zinc/63/92/95/847639295.db2.gz LGYPAEINDYUCFU-JBACZVJFSA-N 1 3 398.551 3.530 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422733142 847787022 /nfs/dbraw/zinc/78/70/22/847787022.db2.gz QPYZKGCUKCBSRU-VPWXQRGCSA-N 1 3 393.453 3.712 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719321 847794837 /nfs/dbraw/zinc/79/48/37/847794837.db2.gz YMHMZNPNHCWEFO-RHSMWYFYSA-N 1 3 389.341 3.541 20 0 GHADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894511 847888935 /nfs/dbraw/zinc/88/89/35/847888935.db2.gz UALZJAPGLIQZKN-QFBILLFUSA-N 1 3 380.374 3.521 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(OC(F)F)c(Cl)c3)cc2)C1 ZINC000657595026 848288059 /nfs/dbraw/zinc/28/80/59/848288059.db2.gz MJGFDJMHQTYVRF-QGZVFWFLSA-N 1 3 396.865 3.798 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(OC(F)F)c(Cl)c3)cc2)C1 ZINC000657595026 848288068 /nfs/dbraw/zinc/28/80/68/848288068.db2.gz MJGFDJMHQTYVRF-QGZVFWFLSA-N 1 3 396.865 3.798 20 0 GHADHO c1cn2c(C[NH2+]CC3CCN(Cc4ccncc4)CC3)c(C3CC3)nc2s1 ZINC000657613504 848327270 /nfs/dbraw/zinc/32/72/70/848327270.db2.gz LVDSOSGSBLJCGO-UHFFFAOYSA-N 1 3 381.549 3.670 20 0 GHADHO Fc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1OC(F)F ZINC000657613734 848342923 /nfs/dbraw/zinc/34/29/23/848342923.db2.gz QFPMYQSSVKVRDS-UHFFFAOYSA-N 1 3 379.426 3.824 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180015062 861904864 /nfs/dbraw/zinc/90/48/64/861904864.db2.gz MSDVDYDTSXBFQL-IBGZPJMESA-N 1 3 380.374 3.517 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000673848512 861955935 /nfs/dbraw/zinc/95/59/35/861955935.db2.gz VORGHFYFQZCNTH-IBGZPJMESA-N 1 3 380.536 3.877 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000155339094 849506638 /nfs/dbraw/zinc/50/66/38/849506638.db2.gz FPSMMMYTIZSXQO-MOPGFXCFSA-N 1 3 390.597 3.545 20 0 GHADHO CN(C)C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423104787 849754702 /nfs/dbraw/zinc/75/47/02/849754702.db2.gz MRCZMQMJRIRVNA-URVUXULASA-N 1 3 385.939 3.788 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414853192 849758652 /nfs/dbraw/zinc/75/86/52/849758652.db2.gz SEDNDHCWNHMEMH-DYVFJYSZSA-N 1 3 387.446 3.800 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423295351 849857957 /nfs/dbraw/zinc/85/79/57/849857957.db2.gz WSACMPDUIHFBNN-VOQZNFBZSA-N 1 3 386.561 3.889 20 0 GHADHO Cc1c([C@@H](C)NCCC[C@H]2CCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000423483064 849950115 /nfs/dbraw/zinc/95/01/15/849950115.db2.gz PTOXRWMGWIKGIS-CJNGLKHVSA-N 1 3 392.345 3.521 20 0 GHADHO OCCN1CCN(CCCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000467387112 850193195 /nfs/dbraw/zinc/19/31/95/850193195.db2.gz DXPIHBMHUXVPMJ-QFIPXVFZSA-N 1 3 394.003 3.551 20 0 GHADHO COCCOc1cccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435433281 850491349 /nfs/dbraw/zinc/49/13/49/850491349.db2.gz QVKZWOIGFSCBFR-OAQYLSRUSA-N 1 3 386.561 3.918 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000514104466 851242881 /nfs/dbraw/zinc/24/28/81/851242881.db2.gz KAMGGMMPQYKLCT-LJQANCHMSA-N 1 3 375.520 3.891 20 0 GHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1 ZINC000473731102 851767950 /nfs/dbraw/zinc/76/79/50/851767950.db2.gz DDEFKFJBPZZNIK-JOCHJYFZSA-N 1 3 386.584 3.687 20 0 GHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1 ZINC000473731102 851767951 /nfs/dbraw/zinc/76/79/51/851767951.db2.gz DDEFKFJBPZZNIK-JOCHJYFZSA-N 1 3 386.584 3.687 20 0 GHADHO C[C@H]1C[C@@H](NCc2cccc(N3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000550227718 852053295 /nfs/dbraw/zinc/05/32/95/852053295.db2.gz JDOQVAASKVLKSV-REWPJTCUSA-N 1 3 379.548 3.666 20 0 GHADHO C[C@H]1C[C@@H](NCc2cccc(N3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000550227718 852053300 /nfs/dbraw/zinc/05/33/00/852053300.db2.gz JDOQVAASKVLKSV-REWPJTCUSA-N 1 3 379.548 3.666 20 0 GHADHO CCCCC1CCC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000101999493 852079826 /nfs/dbraw/zinc/07/98/26/852079826.db2.gz KVONDTGMPDFKFS-UHFFFAOYSA-N 1 3 378.605 3.593 20 0 GHADHO CC(=O)NC1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000516032768 852089951 /nfs/dbraw/zinc/08/99/51/852089951.db2.gz COMFCFAELOCGDY-XNOWSJKESA-N 1 3 383.580 3.714 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167962564 852198829 /nfs/dbraw/zinc/19/88/29/852198829.db2.gz YQTPPLOANQIDGM-PHEVELBBSA-N 1 3 389.584 3.627 20 0 GHADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167962591 852217658 /nfs/dbraw/zinc/21/76/58/852217658.db2.gz YVYOYUKPLOUORU-FBVQUNGASA-N 1 3 399.526 3.626 20 0 GHADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962591 852217668 /nfs/dbraw/zinc/21/76/68/852217668.db2.gz YVYOYUKPLOUORU-FBVQUNGASA-N 1 3 399.526 3.626 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4c(cccc4C(C)C)C3)CC2)CC1 ZINC000570459853 852337224 /nfs/dbraw/zinc/33/72/24/852337224.db2.gz HPDJELKTBTXAQL-UHFFFAOYSA-N 1 3 397.607 3.891 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCC[N@H+](C)C2CCCC2)c2cccs2)CC1 ZINC000517865911 852550722 /nfs/dbraw/zinc/55/07/22/852550722.db2.gz VYQIYVCZOUWAKM-LJQANCHMSA-N 1 3 392.613 3.695 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)c2cccs2)CC1 ZINC000517865911 852550724 /nfs/dbraw/zinc/55/07/24/852550724.db2.gz VYQIYVCZOUWAKM-LJQANCHMSA-N 1 3 392.613 3.695 20 0 GHADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000517893723 852584585 /nfs/dbraw/zinc/58/45/85/852584585.db2.gz LCIRMRXOOHJKKZ-NRFANRHFSA-N 1 3 380.536 3.774 20 0 GHADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000507355778 852822719 /nfs/dbraw/zinc/82/27/19/852822719.db2.gz CZYFZECOWMBMQY-QHCPKHFHSA-N 1 3 382.548 3.898 20 0 GHADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000507355778 852822725 /nfs/dbraw/zinc/82/27/25/852822725.db2.gz CZYFZECOWMBMQY-QHCPKHFHSA-N 1 3 382.548 3.898 20 0 GHADHO COc1ccc([C@H](NCCC[N@@H+]2CCCN(C)CC2)c2ccc(F)cc2)cc1 ZINC000491009570 853387185 /nfs/dbraw/zinc/38/71/85/853387185.db2.gz QSXLVTYIPMOZIE-HSZRJFAPSA-N 1 3 385.527 3.541 20 0 GHADHO COc1ccc([C@H](NCCC[N@H+]2CCCN(C)CC2)c2ccc(F)cc2)cc1 ZINC000491009570 853387196 /nfs/dbraw/zinc/38/71/96/853387196.db2.gz QSXLVTYIPMOZIE-HSZRJFAPSA-N 1 3 385.527 3.541 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623862376 862465158 /nfs/dbraw/zinc/46/51/58/862465158.db2.gz SDBNIURUVJAMIJ-RTWAWAEBSA-N 1 3 379.589 3.846 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998537 853649721 /nfs/dbraw/zinc/64/97/21/853649721.db2.gz ICTZAUNZQPDNJA-XVFIICMOSA-N 1 3 381.539 3.944 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000760661671 853742461 /nfs/dbraw/zinc/74/24/61/853742461.db2.gz ZNNKBKICHRPFJG-UHFFFAOYSA-N 1 3 379.589 3.878 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000520165869 853918609 /nfs/dbraw/zinc/91/86/09/853918609.db2.gz UAROKSALCXFORE-OAQYLSRUSA-N 1 3 389.559 3.618 20 0 GHADHO CN1CCN(CC[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1(C)C ZINC000441347901 854139334 /nfs/dbraw/zinc/13/93/34/854139334.db2.gz BGNGWAGEGMIQOA-UHFFFAOYSA-N 1 3 397.407 3.840 20 0 GHADHO COc1cc([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)ccc1F ZINC000180975123 862697486 /nfs/dbraw/zinc/69/74/86/862697486.db2.gz VUDRBBSPCZZFSN-QGZVFWFLSA-N 1 3 399.510 3.511 20 0 GHADHO C[C@H](CN1CCCCC1)NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591430746 855974803 /nfs/dbraw/zinc/97/48/03/855974803.db2.gz RTYUDWJVGNGTRM-UXHICEINSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@H](CN1CCCCC1)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591430746 855974815 /nfs/dbraw/zinc/97/48/15/855974815.db2.gz RTYUDWJVGNGTRM-UXHICEINSA-N 1 3 387.568 3.544 20 0 GHADHO CSCc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000921712344 855981554 /nfs/dbraw/zinc/98/15/54/855981554.db2.gz QOCXYKKDGZQQIO-QFIPXVFZSA-N 1 3 397.588 3.537 20 0 GHADHO CSCc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000921712344 855981564 /nfs/dbraw/zinc/98/15/64/855981564.db2.gz QOCXYKKDGZQQIO-QFIPXVFZSA-N 1 3 397.588 3.537 20 0 GHADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C[NH+]1CCCC1 ZINC000303011348 856000255 /nfs/dbraw/zinc/00/02/55/856000255.db2.gz WZEXUSVAMHHEGS-RBUKOAKNSA-N 1 3 392.613 3.552 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C[C@H]1C ZINC000674031767 862749951 /nfs/dbraw/zinc/74/99/51/862749951.db2.gz ZLNLBKYUYRMRHZ-BAGYTPMASA-N 1 3 386.584 3.728 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C[C@H]1C ZINC000674031767 862749956 /nfs/dbraw/zinc/74/99/56/862749956.db2.gz ZLNLBKYUYRMRHZ-BAGYTPMASA-N 1 3 386.584 3.728 20 0 GHADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000542848497 856125453 /nfs/dbraw/zinc/12/54/53/856125453.db2.gz PDFSIVCYWDMCJJ-GOSISDBHSA-N 1 3 381.520 3.970 20 0 GHADHO C[C@@H](NCc1cc(Cl)ccc1I)C1CC[NH+](C)CC1 ZINC000405462900 856253930 /nfs/dbraw/zinc/25/39/30/856253930.db2.gz RUMAIDHYZCHYMV-LLVKDONJSA-N 1 3 392.712 3.765 20 0 GHADHO Cc1ccc([C@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)N2CCCC2)cc1 ZINC000166327971 856846971 /nfs/dbraw/zinc/84/69/71/856846971.db2.gz YIFMODYQZGCGFW-QHCPKHFHSA-N 1 3 391.559 3.570 20 0 GHADHO CCCN(C)CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000592831187 857081911 /nfs/dbraw/zinc/08/19/11/857081911.db2.gz INBPDSJONPODRU-UHFFFAOYSA-N 1 3 379.548 3.907 20 0 GHADHO C[C@@H]1CC(NC[C@@H](O)COCc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012219 857371034 /nfs/dbraw/zinc/37/10/34/857371034.db2.gz YCHOXMZGSXDHBU-YOSAUDMPSA-N 1 3 382.548 3.595 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCc2cccc(C[N@@H+](C)CC)c2)N(C)C)cc1 ZINC000061795647 857544709 /nfs/dbraw/zinc/54/47/09/857544709.db2.gz PVOCUYJWDHRBGM-QHCPKHFHSA-N 1 3 396.579 3.803 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCc2cccc(C[N@H+](C)CC)c2)N(C)C)cc1 ZINC000061795647 857544718 /nfs/dbraw/zinc/54/47/18/857544718.db2.gz PVOCUYJWDHRBGM-QHCPKHFHSA-N 1 3 396.579 3.803 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC000065469732 857802017 /nfs/dbraw/zinc/80/20/17/857802017.db2.gz NGZBYBSHKLOFEM-RZUBCFFCSA-N 1 3 388.600 3.655 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC000065469732 857802023 /nfs/dbraw/zinc/80/20/23/857802023.db2.gz NGZBYBSHKLOFEM-RZUBCFFCSA-N 1 3 388.600 3.655 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000594276203 858022079 /nfs/dbraw/zinc/02/20/79/858022079.db2.gz SDLDRMHJQRIZFJ-VXKWHMMOSA-N 1 3 386.584 3.512 20 0 GHADHO C[N@H+](CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000521533242 858080277 /nfs/dbraw/zinc/08/02/77/858080277.db2.gz QSVIGYVDKHVPLR-HXUWFJFHSA-N 1 3 389.559 3.809 20 0 GHADHO C[N@@H+](CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000521533242 858080286 /nfs/dbraw/zinc/08/02/86/858080286.db2.gz QSVIGYVDKHVPLR-HXUWFJFHSA-N 1 3 389.559 3.809 20 0 GHADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442871894 858188607 /nfs/dbraw/zinc/18/86/07/858188607.db2.gz MIMOJFNLSJLSDW-OAHLLOKOSA-N 1 3 390.572 3.934 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000442880642 858202662 /nfs/dbraw/zinc/20/26/62/858202662.db2.gz ZFGGHLJBSDSHJX-MOPGFXCFSA-N 1 3 383.502 3.957 20 0 GHADHO CC(C)(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)Nc1ccccc1 ZINC000594784535 858279904 /nfs/dbraw/zinc/27/99/04/858279904.db2.gz SFMCFRPXNQVRGO-UHFFFAOYSA-N 1 3 381.520 3.668 20 0 GHADHO CC(C)[C@@H](CC1CCCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000115351970 858505680 /nfs/dbraw/zinc/50/56/80/858505680.db2.gz VMQUMXWPARZKHI-JOCHJYFZSA-N 1 3 377.617 3.904 20 0 GHADHO CN1CCC(CN[C@@H](c2ccccc2)c2ccc(F)cn2)([NH+]2CCCCC2)CC1 ZINC000183685459 858796723 /nfs/dbraw/zinc/79/67/23/858796723.db2.gz JDDNLAHFNDMXOP-QHCPKHFHSA-N 1 3 396.554 3.850 20 0 GHADHO Cc1ccc([C@H]2CCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000051761640 859313388 /nfs/dbraw/zinc/31/33/88/859313388.db2.gz JUJMSGVYRCEAQI-HSZRJFAPSA-N 1 3 398.595 3.709 20 0 GHADHO COc1cc(C)c(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(C)n1 ZINC000856560738 881440296 /nfs/dbraw/zinc/44/02/96/881440296.db2.gz QBAGWVSWMMPMGA-OAQYLSRUSA-N 1 3 398.551 3.596 20 0 GHADHO COc1cc(C)c(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(C)n1 ZINC000856560738 881440305 /nfs/dbraw/zinc/44/03/05/881440305.db2.gz QBAGWVSWMMPMGA-OAQYLSRUSA-N 1 3 398.551 3.596 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000543418453 859659154 /nfs/dbraw/zinc/65/91/54/859659154.db2.gz VIKTYSNPRDCOJQ-MSOLQXFVSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000543418453 859659158 /nfs/dbraw/zinc/65/91/58/859659158.db2.gz VIKTYSNPRDCOJQ-MSOLQXFVSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000764906188 859661736 /nfs/dbraw/zinc/66/17/36/859661736.db2.gz YBFVPKBKKNHPFU-FGZHOGPDSA-N 1 3 393.575 3.914 20 0 GHADHO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000543429999 859690263 /nfs/dbraw/zinc/69/02/63/859690263.db2.gz WRRVOAJARZIXAX-ZJOUEHCJSA-N 1 3 396.531 3.800 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCN(C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000522431296 859850978 /nfs/dbraw/zinc/85/09/78/859850978.db2.gz ZDAZVTRLXFBWEW-QHCPKHFHSA-N 1 3 394.563 3.563 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000657833834 859939391 /nfs/dbraw/zinc/93/93/91/859939391.db2.gz LVVBDICUMIAVOR-FQEVSTJZSA-N 1 3 396.417 3.633 20 0 GHADHO C[C@H]1CC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168033715 859982513 /nfs/dbraw/zinc/98/25/13/859982513.db2.gz NIFHXASIJGTCTL-QDNNMPSSSA-N 1 3 385.596 3.661 20 0 GHADHO Cc1nn(C)c(OCC(F)(F)F)c1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000922508780 860110448 /nfs/dbraw/zinc/11/04/48/860110448.db2.gz AFQKLJCNICDEKU-UHFFFAOYSA-N 1 3 388.478 3.556 20 0 GHADHO CC(C)([NH3+])c1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000904598224 860526782 /nfs/dbraw/zinc/52/67/82/860526782.db2.gz XGDYPYMUKYLKQX-UHFFFAOYSA-N 1 3 398.473 3.807 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000522470310 860705656 /nfs/dbraw/zinc/70/56/56/860705656.db2.gz PGGKNHDTBZYKLR-QFIPXVFZSA-N 1 3 386.584 3.696 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccsc1 ZINC000156257370 860729563 /nfs/dbraw/zinc/72/95/63/860729563.db2.gz CZOYTBMGPAISGS-UXHICEINSA-N 1 3 392.613 3.791 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccsc1 ZINC000156257115 860729855 /nfs/dbraw/zinc/72/98/55/860729855.db2.gz CZOYTBMGPAISGS-PMACEKPBSA-N 1 3 392.613 3.791 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000182257940 863166641 /nfs/dbraw/zinc/16/66/41/863166641.db2.gz ZWHCXPZZTSYHKU-UPVQGACJSA-N 1 3 392.543 3.745 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000182257940 863166646 /nfs/dbraw/zinc/16/66/46/863166646.db2.gz ZWHCXPZZTSYHKU-UPVQGACJSA-N 1 3 392.543 3.745 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000482562840 863315951 /nfs/dbraw/zinc/31/59/51/863315951.db2.gz DPIUUOBHFIILKB-IRLDBZIGSA-N 1 3 399.966 3.801 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000482562840 863315961 /nfs/dbraw/zinc/31/59/61/863315961.db2.gz DPIUUOBHFIILKB-IRLDBZIGSA-N 1 3 399.966 3.801 20 0 GHADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522829830 863495142 /nfs/dbraw/zinc/49/51/42/863495142.db2.gz FHGQRBLNQUXJHN-JOCHJYFZSA-N 1 3 392.547 3.571 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606690729 863783303 /nfs/dbraw/zinc/78/33/03/863783303.db2.gz KMEYPDRURCRUMS-XZOQPEGZSA-N 1 3 398.595 3.874 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N(C)C)[C@@H](C)C1 ZINC000480060633 863929997 /nfs/dbraw/zinc/92/99/97/863929997.db2.gz ATCOKABKFXQAFT-DZFGPLHGSA-N 1 3 381.992 3.669 20 0 GHADHO OC1CC[NH+](Cc2ccc(CN[C@@H]3CSCCc4ccccc43)cc2)CC1 ZINC000132779578 881716346 /nfs/dbraw/zinc/71/63/46/881716346.db2.gz MILDLVOFOZCBQD-HSZRJFAPSA-N 1 3 382.573 3.764 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000475116206 864242770 /nfs/dbraw/zinc/24/27/70/864242770.db2.gz HVNOINYBDYHQPN-UGKGYDQZSA-N 1 3 398.595 3.918 20 0 GHADHO CCCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000164484703 864617147 /nfs/dbraw/zinc/61/71/47/864617147.db2.gz NCBHMGGFGKVDNJ-OAHLLOKOSA-N 1 3 381.948 3.920 20 0 GHADHO CC(C)[NH2+]C1CCN(C(=O)NCCNC(c2ccccc2)c2ccccc2)CC1 ZINC000898799536 864644424 /nfs/dbraw/zinc/64/44/24/864644424.db2.gz FEUQOOVBOOPLNV-UHFFFAOYSA-N 1 3 394.563 3.538 20 0 GHADHO Cc1ncsc1-c1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000667683145 864771955 /nfs/dbraw/zinc/77/19/55/864771955.db2.gz GLRMYDVCZRZXJP-UTKZUKDTSA-N 1 3 384.593 3.576 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000480743570 865211414 /nfs/dbraw/zinc/21/14/14/865211414.db2.gz HYBDFBHSDBOVLK-RXVVDRJESA-N 1 3 375.557 3.630 20 0 GHADHO COc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)N2CCCC2)cc1 ZINC000480824673 865357829 /nfs/dbraw/zinc/35/78/29/865357829.db2.gz PRPPHCUBGWDMEX-NZQKXSOJSA-N 1 3 399.579 3.603 20 0 GHADHO COc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)N2CCCC2)cc1 ZINC000480824673 865357843 /nfs/dbraw/zinc/35/78/43/865357843.db2.gz PRPPHCUBGWDMEX-NZQKXSOJSA-N 1 3 399.579 3.603 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166682 865909883 /nfs/dbraw/zinc/90/98/83/865909883.db2.gz BOUGZEJKFGXOHS-UYAOXDASSA-N 1 3 395.572 3.626 20 0 GHADHO CCN(CC)CCC[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000514118732 865931953 /nfs/dbraw/zinc/93/19/53/865931953.db2.gz MSAXTIDPRHHMLZ-UHFFFAOYSA-N 1 3 375.605 3.931 20 0 GHADHO CCN(CC)CCC[N@@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000514118732 865931960 /nfs/dbraw/zinc/93/19/60/865931960.db2.gz MSAXTIDPRHHMLZ-UHFFFAOYSA-N 1 3 375.605 3.931 20 0 GHADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000534020232 865988946 /nfs/dbraw/zinc/98/89/46/865988946.db2.gz MTAPHTJLRARJEH-DHIUTWEWSA-N 1 3 395.547 3.582 20 0 GHADHO c1c(C[NH2+]CCCN2CCCCC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000072786087 866034473 /nfs/dbraw/zinc/03/44/73/866034473.db2.gz UXLUPDSQSGBDTG-UHFFFAOYSA-N 1 3 375.520 3.900 20 0 GHADHO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000600014410 866037376 /nfs/dbraw/zinc/03/73/76/866037376.db2.gz VAPFSSKGFPXAJY-VXKWHMMOSA-N 1 3 399.623 3.958 20 0 GHADHO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000600014410 866037392 /nfs/dbraw/zinc/03/73/92/866037392.db2.gz VAPFSSKGFPXAJY-VXKWHMMOSA-N 1 3 399.623 3.958 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])[C@H](C)C1 ZINC000185461424 866125421 /nfs/dbraw/zinc/12/54/21/866125421.db2.gz APBSXEURLPPBTC-VKJFTORMSA-N 1 3 399.373 3.942 20 0 GHADHO CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])[C@H](C)C1 ZINC000185461424 866125425 /nfs/dbraw/zinc/12/54/25/866125425.db2.gz APBSXEURLPPBTC-VKJFTORMSA-N 1 3 399.373 3.942 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000620820726 867577284 /nfs/dbraw/zinc/57/72/84/867577284.db2.gz WMCFPVCSYQHVNV-GOTSBHOMSA-N 1 3 394.563 3.562 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccnn1-c1ccccc1 ZINC000414305993 867610324 /nfs/dbraw/zinc/61/03/24/867610324.db2.gz NVXQZPGEYSJODQ-HXUWFJFHSA-N 1 3 390.531 3.550 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)Nc2cc(CN(C)C)ccc2OC)cc1)C1CC1 ZINC000523719748 867814945 /nfs/dbraw/zinc/81/49/45/867814945.db2.gz HVMZTTCEMWRZPN-UHFFFAOYSA-N 1 3 381.520 3.993 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(CN(C)C)ccc2OC)cc1)C1CC1 ZINC000523719748 867814951 /nfs/dbraw/zinc/81/49/51/867814951.db2.gz HVMZTTCEMWRZPN-UHFFFAOYSA-N 1 3 381.520 3.993 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000155704609 868042939 /nfs/dbraw/zinc/04/29/39/868042939.db2.gz JWYLADJZUMZVDH-KGLIPLIRSA-N 1 3 375.891 3.618 20 0 GHADHO CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(CC[NH+](C)C)cc3)cc2)CC1 ZINC000524391378 869002753 /nfs/dbraw/zinc/00/27/53/869002753.db2.gz JLIJYWFYAXHVJH-UHFFFAOYSA-N 1 3 394.563 3.573 20 0 GHADHO C[C@H](NC[C@@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248620161 870546649 /nfs/dbraw/zinc/54/66/49/870546649.db2.gz ZZAGMIKGRYBFEF-WDYCEAGBSA-N 1 3 384.486 3.851 20 0 GHADHO C[C@H](NC[C@@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620161 870546661 /nfs/dbraw/zinc/54/66/61/870546661.db2.gz ZZAGMIKGRYBFEF-WDYCEAGBSA-N 1 3 384.486 3.851 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000508867373 870636348 /nfs/dbraw/zinc/63/63/48/870636348.db2.gz COCSLGDEASAGJE-DIJFTKHXSA-N 1 3 386.540 3.699 20 0 GHADHO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000461698071 870752803 /nfs/dbraw/zinc/75/28/03/870752803.db2.gz KDZRHJXVKFWFOA-OXQOHEQNSA-N 1 3 399.501 3.534 20 0 GHADHO FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000249214534 870789275 /nfs/dbraw/zinc/78/92/75/870789275.db2.gz ZLTXEEBGVFJPKY-NJDAHSKKSA-N 1 3 395.513 3.761 20 0 GHADHO CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000447078857 870956239 /nfs/dbraw/zinc/95/62/39/870956239.db2.gz VPXREBMRDJGQNF-UHFFFAOYSA-N 1 3 383.584 3.870 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3cc(Br)ccc3C2)C[C@H](C)O1 ZINC000539072834 871259975 /nfs/dbraw/zinc/25/99/75/871259975.db2.gz VBAPBLUJMUGQSE-YRNRMSPPSA-N 1 3 395.385 3.785 20 0 GHADHO COC(=O)CCCN1CCC(Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000463302627 871373474 /nfs/dbraw/zinc/37/34/74/871373474.db2.gz PHZOPYYJRKSNKW-IBGZPJMESA-N 1 3 387.568 3.891 20 0 GHADHO COC(=O)CCCN1CCC(Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000463302627 871373495 /nfs/dbraw/zinc/37/34/95/871373495.db2.gz PHZOPYYJRKSNKW-IBGZPJMESA-N 1 3 387.568 3.891 20 0 GHADHO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539148479 871431105 /nfs/dbraw/zinc/43/11/05/871431105.db2.gz OLWRBUXEKFWQMJ-BRWVUGGUSA-N 1 3 382.495 3.616 20 0 GHADHO CCO[C@@H]1COCC[C@@H]1NC[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169409999 871455196 /nfs/dbraw/zinc/45/51/96/871455196.db2.gz TZZPNJHZRJMNDE-KMDXXIMOSA-N 1 3 382.548 3.686 20 0 GHADHO CCO[C@@H]1COCC[C@@H]1NC[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169409999 871455201 /nfs/dbraw/zinc/45/52/01/871455201.db2.gz TZZPNJHZRJMNDE-KMDXXIMOSA-N 1 3 382.548 3.686 20 0 GHADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000618355985 871519964 /nfs/dbraw/zinc/51/99/64/871519964.db2.gz GLAJLXHGIRCKCH-XMMPIXPASA-N 1 3 391.559 3.671 20 0 GHADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000618355985 871519969 /nfs/dbraw/zinc/51/99/69/871519969.db2.gz GLAJLXHGIRCKCH-XMMPIXPASA-N 1 3 391.559 3.671 20 0 GHADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001194359021 871635930 /nfs/dbraw/zinc/63/59/30/871635930.db2.gz RPKKEZVQKILMMB-MOPGFXCFSA-N 1 3 379.589 3.828 20 0 GHADHO CC[C@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000539296076 871659094 /nfs/dbraw/zinc/65/90/94/871659094.db2.gz XTKCPIUOVXPUKO-KNKQGSTJSA-N 1 3 384.568 3.670 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000462164620 871722661 /nfs/dbraw/zinc/72/26/61/871722661.db2.gz NTNNQOZGEVKHJU-YADARESESA-N 1 3 391.559 3.921 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000462164620 871722672 /nfs/dbraw/zinc/72/26/72/871722672.db2.gz NTNNQOZGEVKHJU-YADARESESA-N 1 3 391.559 3.921 20 0 GHADHO CN1CC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000253190991 871746149 /nfs/dbraw/zinc/74/61/49/871746149.db2.gz UBRVIJICKFDPRR-GOTSBHOMSA-N 1 3 391.559 3.850 20 0 GHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@@H](C)O1 ZINC000092587510 871770919 /nfs/dbraw/zinc/77/09/19/871770919.db2.gz GLBSCMWQYJDTIZ-RTBURBONSA-N 1 3 396.535 3.590 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@@H](C)O1 ZINC000092587510 871770929 /nfs/dbraw/zinc/77/09/29/871770929.db2.gz GLBSCMWQYJDTIZ-RTBURBONSA-N 1 3 396.535 3.590 20 0 GHADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821201 871848802 /nfs/dbraw/zinc/84/88/02/871848802.db2.gz GZEUQVYMVSFAOE-CTNGQTDRSA-N 1 3 386.584 3.800 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CC2CCN(C3CC3)CC2)cc1 ZINC000447562443 871867512 /nfs/dbraw/zinc/86/75/12/871867512.db2.gz CJURPSWFIRALMD-VXKWHMMOSA-N 1 3 390.593 3.544 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccncc2)[C@@H]2CCC[C@H]21 ZINC000552046260 871931176 /nfs/dbraw/zinc/93/11/76/871931176.db2.gz BGXLDXOYJNECMI-RJGXRXQPSA-N 1 3 387.531 3.897 20 0 GHADHO C[N@H+]1CC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccncc2)[C@@H]2CCC[C@H]21 ZINC000552046260 871931186 /nfs/dbraw/zinc/93/11/86/871931186.db2.gz BGXLDXOYJNECMI-RJGXRXQPSA-N 1 3 387.531 3.897 20 0 GHADHO CN1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)[C@@H]2CCC[C@H]21 ZINC000552046260 871931196 /nfs/dbraw/zinc/93/11/96/871931196.db2.gz BGXLDXOYJNECMI-RJGXRXQPSA-N 1 3 387.531 3.897 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccncc2)[C@H]2CCC[C@@H]21 ZINC000552046262 871931940 /nfs/dbraw/zinc/93/19/40/871931940.db2.gz BGXLDXOYJNECMI-VJBWXMMDSA-N 1 3 387.531 3.897 20 0 GHADHO C[N@H+]1CC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccncc2)[C@H]2CCC[C@@H]21 ZINC000552046262 871931954 /nfs/dbraw/zinc/93/19/54/871931954.db2.gz BGXLDXOYJNECMI-VJBWXMMDSA-N 1 3 387.531 3.897 20 0 GHADHO CN1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)[C@H]2CCC[C@@H]21 ZINC000552046262 871931973 /nfs/dbraw/zinc/93/19/73/871931973.db2.gz BGXLDXOYJNECMI-VJBWXMMDSA-N 1 3 387.531 3.897 20 0 GHADHO C[N@@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000552243540 872299040 /nfs/dbraw/zinc/29/90/40/872299040.db2.gz BGBBQEGMFCSPKM-AEGPPILISA-N 1 3 376.854 3.628 20 0 GHADHO C[N@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000552243540 872299054 /nfs/dbraw/zinc/29/90/54/872299054.db2.gz BGBBQEGMFCSPKM-AEGPPILISA-N 1 3 376.854 3.628 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000163108146 872819584 /nfs/dbraw/zinc/81/95/84/872819584.db2.gz PPZJACSLKHHSAF-PBHICJAKSA-N 1 3 389.371 3.527 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000163108146 872819589 /nfs/dbraw/zinc/81/95/89/872819589.db2.gz PPZJACSLKHHSAF-PBHICJAKSA-N 1 3 389.371 3.527 20 0 GHADHO CN(C)CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(C)(C)C ZINC000463900145 872820580 /nfs/dbraw/zinc/82/05/80/872820580.db2.gz ZWZMEWKUGIKOCN-ZWKOTPCHSA-N 1 3 397.510 3.739 20 0 GHADHO C[NH+]1CCC(CNC(=O)Nc2cc(F)cc(Cl)c2)(N2CCCCC2)CC1 ZINC000153123851 873216550 /nfs/dbraw/zinc/21/65/50/873216550.db2.gz DSVWVFMQQZYTOP-UHFFFAOYSA-N 1 3 382.911 3.551 20 0 GHADHO c1ccc(CCN2CCC([NH2+]CCCN3CCc4ccccc4C3)CC2)cc1 ZINC000122770744 882702567 /nfs/dbraw/zinc/70/25/67/882702567.db2.gz XWZMBLFZWATULB-UHFFFAOYSA-N 1 3 377.576 3.732 20 0 GHADHO Cc1ccc(O[C@H]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)nc1 ZINC000858012304 882717265 /nfs/dbraw/zinc/71/72/65/882717265.db2.gz ZGJHZRSLJTWQGV-QFIPXVFZSA-N 1 3 381.520 3.518 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C[C@H](C)O1 ZINC000541537064 873828253 /nfs/dbraw/zinc/82/82/53/873828253.db2.gz GQALNTPULKWQRI-ROUUACIJSA-N 1 3 388.581 3.645 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3F)s2)C[C@H](C)O1 ZINC000449100614 874472522 /nfs/dbraw/zinc/47/25/22/874472522.db2.gz CIUSIERKQBGLNT-IYBDPMFKSA-N 1 3 377.529 3.928 20 0 GHADHO COCCC[NH+]1CCC(NCc2ccnc3c(Br)cccc23)CC1 ZINC000449112312 874522229 /nfs/dbraw/zinc/52/22/29/874522229.db2.gz QOEUTYZVQGTSFG-UHFFFAOYSA-N 1 3 392.341 3.588 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000449142576 874528856 /nfs/dbraw/zinc/52/88/56/874528856.db2.gz OQTIYHKWLJGMFT-WMZHIEFXSA-N 1 3 391.559 3.757 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000449187260 874579893 /nfs/dbraw/zinc/57/98/93/874579893.db2.gz QELOPAPPNDIFGP-GBXCKJPGSA-N 1 3 397.607 3.853 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000449282500 874666835 /nfs/dbraw/zinc/66/68/35/874666835.db2.gz HDIKXPBZJWREHX-BTZRARBUSA-N 1 3 396.550 3.977 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000449339184 874757877 /nfs/dbraw/zinc/75/78/77/874757877.db2.gz XHUHUXLAPREGHX-LJQANCHMSA-N 1 3 389.543 3.724 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000449615299 875155607 /nfs/dbraw/zinc/15/56/07/875155607.db2.gz KVTGMCDZVFVWMV-KVZQYWQLSA-N 1 3 377.532 3.802 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCO[C@@H](c5ccccn5)C4)[C@H]3C2)cc1 ZINC000449615297 875155762 /nfs/dbraw/zinc/15/57/62/875155762.db2.gz KVTGMCDZVFVWMV-BTPPTMBQSA-N 1 3 377.532 3.802 20 0 GHADHO CC(C)(C)O[C@@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1n1cccn1 ZINC000449657074 875191098 /nfs/dbraw/zinc/19/10/98/875191098.db2.gz NNNNODCJAJPVSK-ZRBLBEILSA-N 1 3 396.579 3.677 20 0 GHADHO C[C@H]1COCC[C@@H]1[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000192470192 882926830 /nfs/dbraw/zinc/92/68/30/882926830.db2.gz SWVAXULMAAUWHJ-PXNSSMCTSA-N 1 3 399.501 3.622 20 0 GHADHO CCOc1c(OC)cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000192934318 883049979 /nfs/dbraw/zinc/04/99/79/883049979.db2.gz NDGJKGVVEWNVJO-LJQANCHMSA-N 1 3 384.520 3.714 20 0 GHADHO C[C@H](c1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1)C(F)(F)F ZINC000450644681 876702529 /nfs/dbraw/zinc/70/25/29/876702529.db2.gz BVEZCSHILAQIOQ-DLBZAZTESA-N 1 3 383.502 3.953 20 0 GHADHO CCOc1cc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000537660894 883058907 /nfs/dbraw/zinc/05/89/07/883058907.db2.gz JJZJDRIWQLGFLO-OALUTQOASA-N 1 3 390.568 3.805 20 0 GHADHO CCOc1cc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000537660894 883058919 /nfs/dbraw/zinc/05/89/19/883058919.db2.gz JJZJDRIWQLGFLO-OALUTQOASA-N 1 3 390.568 3.805 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000537662153 883059544 /nfs/dbraw/zinc/05/95/44/883059544.db2.gz XJDSQFOBDIHXJU-HDICACEKSA-N 1 3 390.616 3.966 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000537662153 883059556 /nfs/dbraw/zinc/05/95/56/883059556.db2.gz XJDSQFOBDIHXJU-HDICACEKSA-N 1 3 390.616 3.966 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000537662153 883059575 /nfs/dbraw/zinc/05/95/75/883059575.db2.gz XJDSQFOBDIHXJU-HDICACEKSA-N 1 3 390.616 3.966 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000642619084 912220969 /nfs/dbraw/zinc/22/09/69/912220969.db2.gz DHABKYBBPWZCQM-YADHBBJMSA-N 1 3 382.552 3.672 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000175429390 877697483 /nfs/dbraw/zinc/69/74/83/877697483.db2.gz SEVXVKOFGGDFHR-IAGOWNOFSA-N 1 3 379.976 3.753 20 0 GHADHO CC(C)[NH+]1CCC(N[C@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000788245598 877947449 /nfs/dbraw/zinc/94/74/49/877947449.db2.gz QPCHPJYXNNSQAX-GHTZIAJQSA-N 1 3 389.584 3.973 20 0 GHADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000245543156 878079892 /nfs/dbraw/zinc/07/98/92/878079892.db2.gz SESQYASLSZBVAQ-ZCNNSNEGSA-N 1 3 386.584 3.513 20 0 GHADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)N(C)Cc1ccccc1 ZINC000455906952 878175191 /nfs/dbraw/zinc/17/51/91/878175191.db2.gz HSVRRIHYMUCPBE-VGOFRKELSA-N 1 3 380.536 3.878 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C[C@H](C)O1 ZINC000788645267 878205001 /nfs/dbraw/zinc/20/50/01/878205001.db2.gz OJQGBYXXLUWPQA-VNTMZGSJSA-N 1 3 397.604 3.501 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000537943530 878559492 /nfs/dbraw/zinc/55/94/92/878559492.db2.gz QOFAETZXIMYCKE-FVJLSDCUSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000537943530 878559511 /nfs/dbraw/zinc/55/95/11/878559511.db2.gz QOFAETZXIMYCKE-FVJLSDCUSA-N 1 3 397.966 3.784 20 0 GHADHO Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538268278 879154420 /nfs/dbraw/zinc/15/44/20/879154420.db2.gz DMEHFRIXGBOHJW-OAQYLSRUSA-N 1 3 390.531 3.923 20 0 GHADHO Cc1nc2ccccc2n1CCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538268278 879154427 /nfs/dbraw/zinc/15/44/27/879154427.db2.gz DMEHFRIXGBOHJW-OAQYLSRUSA-N 1 3 390.531 3.923 20 0 GHADHO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000461425907 879785794 /nfs/dbraw/zinc/78/57/94/879785794.db2.gz NUEZVUWPRSLAAN-ZJSXRUAMSA-N 1 3 397.607 3.664 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000246951026 879858936 /nfs/dbraw/zinc/85/89/36/879858936.db2.gz ICEKFEZEVSSJMS-RTBURBONSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000246951026 879858948 /nfs/dbraw/zinc/85/89/48/879858948.db2.gz ICEKFEZEVSSJMS-RTBURBONSA-N 1 3 390.535 3.888 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247086074 879912584 /nfs/dbraw/zinc/91/25/84/879912584.db2.gz RHELVEMVHYNTFU-MSOLQXFVSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247086074 879912593 /nfs/dbraw/zinc/91/25/93/879912593.db2.gz RHELVEMVHYNTFU-MSOLQXFVSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247086074 879912596 /nfs/dbraw/zinc/91/25/96/879912596.db2.gz RHELVEMVHYNTFU-MSOLQXFVSA-N 1 3 379.976 3.787 20 0 GHADHO CCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@@H](C)C1 ZINC000247127437 879925026 /nfs/dbraw/zinc/92/50/26/879925026.db2.gz RNCRJLKOECYHGG-WMZHIEFXSA-N 1 3 379.548 3.745 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000453114502 880482991 /nfs/dbraw/zinc/48/29/91/880482991.db2.gz VTBKUOGHNMONJC-WOJBJXKFSA-N 1 3 382.552 3.798 20 0 GHADHO CCCc1cccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000187225930 881109728 /nfs/dbraw/zinc/10/97/28/881109728.db2.gz RCPCAFQYLHEKQM-QHCPKHFHSA-N 1 3 379.548 3.626 20 0 GHADHO CCCc1cccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000187225930 881109737 /nfs/dbraw/zinc/10/97/37/881109737.db2.gz RCPCAFQYLHEKQM-QHCPKHFHSA-N 1 3 379.548 3.626 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000551270088 883579969 /nfs/dbraw/zinc/57/99/69/883579969.db2.gz KSHNCTBIJDYNPI-QFIPXVFZSA-N 1 3 384.520 3.516 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000551270088 883579975 /nfs/dbraw/zinc/57/99/75/883579975.db2.gz KSHNCTBIJDYNPI-QFIPXVFZSA-N 1 3 384.520 3.516 20 0 GHADHO Cc1ccc([C@@H](N[C@@H]2CC23CC[NH2+]CC3)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000643535966 912730492 /nfs/dbraw/zinc/73/04/92/912730492.db2.gz QFILNNHQDQFTCH-YADHBBJMSA-N 1 3 398.572 3.528 20 0 GHADHO C[C@@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494950367 884277841 /nfs/dbraw/zinc/27/78/41/884277841.db2.gz GBWUQQJJAVAJCS-FTXHTYHOSA-N 1 3 397.485 3.844 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@@H]3CCc4cc(Cl)ccc43)cc2)CC1 ZINC000666254668 884453720 /nfs/dbraw/zinc/45/37/20/884453720.db2.gz TYZGFLMIFMNXST-JOCHJYFZSA-N 1 3 397.950 3.814 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H](C)C1 ZINC000495163421 884700307 /nfs/dbraw/zinc/70/03/07/884700307.db2.gz BCKXSKCIOCSYDD-LZJOCLMNSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H](C)C1 ZINC000495163421 884700338 /nfs/dbraw/zinc/70/03/38/884700338.db2.gz BCKXSKCIOCSYDD-LZJOCLMNSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)[C@H](C)C1 ZINC000655734762 884995620 /nfs/dbraw/zinc/99/56/20/884995620.db2.gz AVIMIFMJKRXJNF-AUSIDOKSSA-N 1 3 384.568 3.716 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000763433432 885105838 /nfs/dbraw/zinc/10/58/38/885105838.db2.gz RHSIVWINFWDUSS-XMSQKQJNSA-N 1 3 390.568 3.714 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000763433432 885105843 /nfs/dbraw/zinc/10/58/43/885105843.db2.gz RHSIVWINFWDUSS-XMSQKQJNSA-N 1 3 390.568 3.714 20 0 GHADHO CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)Cc1ccccc1 ZINC000455875711 885129002 /nfs/dbraw/zinc/12/90/02/885129002.db2.gz MRTLSMQDWXOJOB-UNMCSNQZSA-N 1 3 380.536 3.530 20 0 GHADHO Cc1nc(Cl)c(C)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170523840 885433340 /nfs/dbraw/zinc/43/33/40/885433340.db2.gz FOAXQFSQVUBZQD-UHFFFAOYSA-N 1 3 383.927 3.656 20 0 GHADHO Cc1ccc2ncc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)nc2c1 ZINC001170526193 885486416 /nfs/dbraw/zinc/48/64/16/885486416.db2.gz WBFHHYPJCUUHCO-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO CN1CCC[C@H](NC(=O)CCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001183982561 912939625 /nfs/dbraw/zinc/93/96/25/912939625.db2.gz SDQSHCKXWDAYBA-QHCPKHFHSA-N 1 3 379.548 3.679 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccnc(OC(F)F)c3)c3ccccc23)CC1 ZINC001170528252 885546005 /nfs/dbraw/zinc/54/60/05/885546005.db2.gz IDIWBCMXWDULCT-UHFFFAOYSA-N 1 3 386.446 3.593 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119088774 886421999 /nfs/dbraw/zinc/42/19/99/886421999.db2.gz QPVUDZRTXBLCPA-UHFFFAOYSA-N 1 3 394.991 3.534 20 0 GHADHO CCOc1cc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459364910 887731103 /nfs/dbraw/zinc/73/11/03/887731103.db2.gz WRMIRYXMJSPLLI-ROUUACIJSA-N 1 3 376.541 3.502 20 0 GHADHO CCOc1cc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459364910 887731111 /nfs/dbraw/zinc/73/11/11/887731111.db2.gz WRMIRYXMJSPLLI-ROUUACIJSA-N 1 3 376.541 3.502 20 0 GHADHO OC1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1 ZINC000397653913 888249436 /nfs/dbraw/zinc/24/94/36/888249436.db2.gz XSTQNXXMEGAPRU-UHFFFAOYSA-N 1 3 378.438 3.822 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810413195 888478286 /nfs/dbraw/zinc/47/82/86/888478286.db2.gz QXFSNTWZMJPBTP-JTSKRJEESA-N 1 3 375.532 3.541 20 0 GHADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000810619016 888684306 /nfs/dbraw/zinc/68/43/06/888684306.db2.gz WYEQYPJIRIHKPQ-URXFXBBRSA-N 1 3 393.575 3.878 20 0 GHADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000810619016 888684309 /nfs/dbraw/zinc/68/43/09/888684309.db2.gz WYEQYPJIRIHKPQ-URXFXBBRSA-N 1 3 393.575 3.878 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635844 913416434 /nfs/dbraw/zinc/41/64/34/913416434.db2.gz DBOFQYFYBWMBJM-ZJSXRUAMSA-N 1 3 390.527 3.691 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635844 913416443 /nfs/dbraw/zinc/41/64/43/913416443.db2.gz DBOFQYFYBWMBJM-ZJSXRUAMSA-N 1 3 390.527 3.691 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000533547969 890821533 /nfs/dbraw/zinc/82/15/33/890821533.db2.gz JPOQUTKVPTVHKR-VAMGGRTRSA-N 1 3 397.563 3.694 20 0 GHADHO COc1ccc([C@@H](O)C2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000812774588 890952014 /nfs/dbraw/zinc/95/20/14/890952014.db2.gz RNLFZPBOCAOYSX-XMMPIXPASA-N 1 3 398.547 3.581 20 0 GHADHO C[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000533696644 891200339 /nfs/dbraw/zinc/20/03/39/891200339.db2.gz FYYVLOIPORLFDM-HYBUGGRVSA-N 1 3 397.607 3.520 20 0 GHADHO CCCCOc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873242853 891545499 /nfs/dbraw/zinc/54/54/99/891545499.db2.gz GSTRMDVBVLAUIH-KRWDZBQOSA-N 1 3 379.508 3.756 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000128660931 892234151 /nfs/dbraw/zinc/23/41/51/892234151.db2.gz IZTRTKGQMCHKMQ-MAUKXSAKSA-N 1 3 381.948 3.776 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CCN(C)C1 ZINC000645153542 913710999 /nfs/dbraw/zinc/71/09/99/913710999.db2.gz DWHPKWXPGVSVNU-QFIPXVFZSA-N 1 3 386.584 3.544 20 0 GHADHO COc1cc(C)c(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000536709445 893613878 /nfs/dbraw/zinc/61/38/78/893613878.db2.gz BDOYMVXYVPQVEY-RTBURBONSA-N 1 3 390.568 3.724 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3cccc(C)c3)CC2)CC1 ZINC000563374916 893678906 /nfs/dbraw/zinc/67/89/06/893678906.db2.gz SJKOGJIFMQEXPS-QHCPKHFHSA-N 1 3 383.580 3.855 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000563506639 893842418 /nfs/dbraw/zinc/84/24/18/893842418.db2.gz UMKWGCJPAOMXJA-NRFANRHFSA-N 1 3 378.520 3.712 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000563506639 893842434 /nfs/dbraw/zinc/84/24/34/893842434.db2.gz UMKWGCJPAOMXJA-NRFANRHFSA-N 1 3 378.520 3.712 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000564236649 894753647 /nfs/dbraw/zinc/75/36/47/894753647.db2.gz BUGTYGFYBVCOPD-QPTUXGOLSA-N 1 3 386.580 3.853 20 0 GHADHO C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816544673 894914693 /nfs/dbraw/zinc/91/46/93/894914693.db2.gz PAEDSFDCJMKALR-QGZVFWFLSA-N 1 3 379.589 3.876 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)C2(OC)CCOCC2)ccc1OC ZINC000817587786 895757147 /nfs/dbraw/zinc/75/71/47/895757147.db2.gz HTDHOVRYOKGWPL-ZWKOTPCHSA-N 1 3 378.557 3.772 20 0 GHADHO Cc1cc(Br)cc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000774910605 914008952 /nfs/dbraw/zinc/00/89/52/914008952.db2.gz SNYZGSWORLPWBD-UHFFFAOYSA-N 1 3 394.401 3.748 20 0 GHADHO O[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1Cl ZINC000817905541 895955363 /nfs/dbraw/zinc/95/53/63/895955363.db2.gz NZRGQELUFSHRKN-NSHGMRRFSA-N 1 3 393.314 3.872 20 0 GHADHO Cn1cncc1CCCN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000565959449 896010601 /nfs/dbraw/zinc/01/06/01/896010601.db2.gz NRGBTYWVJUDTIT-UHFFFAOYSA-N 1 3 380.458 3.579 20 0 GHADHO Cn1cncc1CCCN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000565959449 896010612 /nfs/dbraw/zinc/01/06/12/896010612.db2.gz NRGBTYWVJUDTIT-UHFFFAOYSA-N 1 3 380.458 3.579 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000818969083 896329463 /nfs/dbraw/zinc/32/94/63/896329463.db2.gz KQCDMRLMSRNDKM-AWEZNQCLSA-N 1 3 375.340 3.586 20 0 GHADHO C[NH+](C)C1CCN(CCN[C@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820812573 897539233 /nfs/dbraw/zinc/53/92/33/897539233.db2.gz NQYGZQHQSZGMMC-OAQYLSRUSA-N 1 3 375.944 3.832 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000289586160 914251047 /nfs/dbraw/zinc/25/10/47/914251047.db2.gz ZJBPWKZZVNJHDC-FQEVSTJZSA-N 1 3 382.552 3.941 20 0 GHADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000570443774 899321420 /nfs/dbraw/zinc/32/14/20/899321420.db2.gz ANGNGAVCHWMGSA-HXUWFJFHSA-N 1 3 383.511 3.617 20 0 GHADHO Cc1c(F)cccc1NC(=O)CCNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000570443774 899321435 /nfs/dbraw/zinc/32/14/35/899321435.db2.gz ANGNGAVCHWMGSA-HXUWFJFHSA-N 1 3 383.511 3.617 20 0 GHADHO Cc1c(F)cccc1NC(=O)CCNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570443774 899321450 /nfs/dbraw/zinc/32/14/50/899321450.db2.gz ANGNGAVCHWMGSA-HXUWFJFHSA-N 1 3 383.511 3.617 20 0 GHADHO C[C@H](CNC(=O)OC(C)(C)C)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000824181179 899417538 /nfs/dbraw/zinc/41/75/38/899417538.db2.gz NUYGKUXADIREDH-MSOLQXFVSA-N 1 3 375.557 3.585 20 0 GHADHO Cc1c(O)cccc1C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001144112693 901077282 /nfs/dbraw/zinc/07/72/82/901077282.db2.gz LKAARSCMGHADSE-JOCHJYFZSA-N 1 3 380.532 3.956 20 0 GHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000123953861 902002855 /nfs/dbraw/zinc/00/28/55/902002855.db2.gz VAPLALNNGDEEJY-KRWDZBQOSA-N 1 3 389.565 3.751 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000123953861 902002865 /nfs/dbraw/zinc/00/28/65/902002865.db2.gz VAPLALNNGDEEJY-KRWDZBQOSA-N 1 3 389.565 3.751 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC000577297349 902658758 /nfs/dbraw/zinc/65/87/58/902658758.db2.gz DAPUFTIGGDKEAO-XXBNENTESA-N 1 3 377.532 3.675 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2Cl)[C@@H]1c1cccs1 ZINC000578127560 903543184 /nfs/dbraw/zinc/54/31/84/903543184.db2.gz DITUJXJYIODGPA-GQIGUUNPSA-N 1 3 394.968 3.814 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2Cl)[C@@H]1c1cccs1 ZINC000578127560 903543190 /nfs/dbraw/zinc/54/31/90/903543190.db2.gz DITUJXJYIODGPA-GQIGUUNPSA-N 1 3 394.968 3.814 20 0 GHADHO FC(F)(F)c1ccc2nccc(NCc3ccccc3N3CC[NH2+]CC3)c2c1 ZINC001171285257 903600058 /nfs/dbraw/zinc/60/00/58/903600058.db2.gz JRVCSGCSEYTPRA-UHFFFAOYSA-N 1 3 386.421 3.697 20 0 GHADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000578354824 903762920 /nfs/dbraw/zinc/76/29/20/903762920.db2.gz HXNRJYRVHXGIQP-INIZCTEOSA-N 1 3 399.501 3.621 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2OCc2ccncc2)C[C@H](C)O1 ZINC000578457469 903860667 /nfs/dbraw/zinc/86/06/67/903860667.db2.gz VMHVWWNWTSEQBC-BGYRXZFFSA-N 1 3 383.536 3.640 20 0 GHADHO CN1C(C)(C)CC([NH2+]C2CCN(c3cc(C(F)(F)F)ncn3)CC2)CC1(C)C ZINC001171631314 904853806 /nfs/dbraw/zinc/85/38/06/904853806.db2.gz ZDFUFCACSCRYED-UHFFFAOYSA-N 1 3 399.505 3.705 20 0 GHADHO CN1C(C)(C)CC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2F)CC1(C)C ZINC001171621035 904886385 /nfs/dbraw/zinc/88/63/85/904886385.db2.gz GMSHMYWEBDYJCF-NVXWUHKLSA-N 1 3 385.568 3.823 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3CCC(F)(F)CC3)CC2)CC1 ZINC000890058977 904891096 /nfs/dbraw/zinc/89/10/96/904891096.db2.gz ZRAKFKKFQQZGOJ-UHFFFAOYSA-N 1 3 385.543 3.515 20 0 GHADHO Cc1ccccc1C1(NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC001171700058 904937082 /nfs/dbraw/zinc/93/70/82/904937082.db2.gz FJOTXABPMKFNDZ-UHFFFAOYSA-N 1 3 391.559 3.876 20 0 GHADHO C[C@@H]1C[C@H]([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CN1Cc1ccccc1 ZINC001171761813 904997073 /nfs/dbraw/zinc/99/70/73/904997073.db2.gz GAXPYVADEWHUDP-YKSBVNFPSA-N 1 3 381.539 3.996 20 0 GHADHO C[C@@H]1C[C@H]([N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CN1Cc1ccccc1 ZINC001171761813 904997084 /nfs/dbraw/zinc/99/70/84/904997084.db2.gz GAXPYVADEWHUDP-YKSBVNFPSA-N 1 3 381.539 3.996 20 0 GHADHO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001171935800 905191326 /nfs/dbraw/zinc/19/13/26/905191326.db2.gz LFBDHLBGOVGKBF-SVNWRMHYSA-N 1 3 384.564 3.999 20 0 GHADHO CC1(C)C[C@H](N[C@H]2CCN(Cc3cccnc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171981439 905234315 /nfs/dbraw/zinc/23/43/15/905234315.db2.gz XYLXYBPFFSWSIN-PKTZIBPZSA-N 1 3 378.564 3.689 20 0 GHADHO CC1(C)C[C@H](N[C@H]2CCN(Cc3cccnc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981439 905234331 /nfs/dbraw/zinc/23/43/31/905234331.db2.gz XYLXYBPFFSWSIN-PKTZIBPZSA-N 1 3 378.564 3.689 20 0 GHADHO CC1(C)C[C@@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)CCN1Cc1ccccc1 ZINC001171981683 905235844 /nfs/dbraw/zinc/23/58/44/905235844.db2.gz ZWUOCPSEFRNXDO-SFHVURJKSA-N 1 3 380.458 3.978 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@]1(F)CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172100128 905321896 /nfs/dbraw/zinc/32/18/96/905321896.db2.gz PHJMIEYWCMHNKU-NYUBLWNDSA-N 1 3 383.552 3.721 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(c3ncn4cc(Br)ccc34)C1)C2 ZINC001172128602 905340823 /nfs/dbraw/zinc/34/08/23/905340823.db2.gz SQZMWAWQQNFHCS-BJWYYQGGSA-N 1 3 389.341 3.511 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(c3ncn4cc(Br)ccc34)C1)C2 ZINC001172128602 905340850 /nfs/dbraw/zinc/34/08/50/905340850.db2.gz SQZMWAWQQNFHCS-BJWYYQGGSA-N 1 3 389.341 3.511 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3nnc(-c4cccc(F)c4)n3c1)C2 ZINC001172110615 905358318 /nfs/dbraw/zinc/35/83/18/905358318.db2.gz KYFFDQHUEVNKMO-ACDBMABISA-N 1 3 379.483 3.640 20 0 GHADHO COCCOc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1C(F)(F)F ZINC001172115952 905366610 /nfs/dbraw/zinc/36/66/10/905366610.db2.gz WNUXLGYEOUWFES-BJWYYQGGSA-N 1 3 386.458 3.836 20 0 GHADHO COCCC[NH+]1CCC(N[C@@H]2CSc3ccc(Br)cc3C2)CC1 ZINC001172249808 905448881 /nfs/dbraw/zinc/44/88/81/905448881.db2.gz PRZDJSMRKUXEGM-KRWDZBQOSA-N 1 3 399.398 3.556 20 0 GHADHO CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)C1CCN(CCCOC)CC1 ZINC001172253461 905448940 /nfs/dbraw/zinc/44/89/40/905448940.db2.gz QCYHCSJYGZNIAL-LJQANCHMSA-N 1 3 375.557 3.535 20 0 GHADHO CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)C1CCN(CCCOC)CC1 ZINC001172253461 905448951 /nfs/dbraw/zinc/44/89/51/905448951.db2.gz QCYHCSJYGZNIAL-LJQANCHMSA-N 1 3 375.557 3.535 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173000002 906074794 /nfs/dbraw/zinc/07/47/94/906074794.db2.gz WSMISDLPHCSUNC-SFHVURJKSA-N 1 3 383.511 3.527 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173000002 906074811 /nfs/dbraw/zinc/07/48/11/906074811.db2.gz WSMISDLPHCSUNC-SFHVURJKSA-N 1 3 383.511 3.527 20 0 GHADHO C[C@@H](C[NH3+])CN(Cc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173000002 906074826 /nfs/dbraw/zinc/07/48/26/906074826.db2.gz WSMISDLPHCSUNC-SFHVURJKSA-N 1 3 383.511 3.527 20 0 GHADHO C[C@@H]1CC[C@H](NCc2ccccc2OCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173052796 906125551 /nfs/dbraw/zinc/12/55/51/906125551.db2.gz HSUVZDSLYXLSTI-MJGOQNOKSA-N 1 3 391.556 3.505 20 0 GHADHO COc1cccc2c1C[C@@H]([NH+]1CCC3(CC[C@H]3N(C)Cc3ccco3)CC1)CO2 ZINC001173154204 906240590 /nfs/dbraw/zinc/24/05/90/906240590.db2.gz LEPQULUXLGXDGU-WZONZLPQSA-N 1 3 396.531 3.968 20 0 GHADHO COc1cccc2c1C[C@@H](N1CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154204 906240602 /nfs/dbraw/zinc/24/06/02/906240602.db2.gz LEPQULUXLGXDGU-WZONZLPQSA-N 1 3 396.531 3.968 20 0 GHADHO COc1cccc2c1C[C@@H](N1CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154204 906240620 /nfs/dbraw/zinc/24/06/20/906240620.db2.gz LEPQULUXLGXDGU-WZONZLPQSA-N 1 3 396.531 3.968 20 0 GHADHO [NH3+]C1(Cc2ccccc2Cl)CCN(C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173665836 906603102 /nfs/dbraw/zinc/60/31/02/906603102.db2.gz DEDQGONBNWCJDK-UHFFFAOYSA-N 1 3 389.893 3.703 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC001175156347 907382232 /nfs/dbraw/zinc/38/22/32/907382232.db2.gz PWWORWYRFSUZLW-UHFFFAOYSA-N 1 3 384.612 3.539 20 0 GHADHO CCN1CCN(c2ccc(Nc3ccc(N4CC[NH+](CC)CC4)cc3)cc2)CC1 ZINC001175780893 907741627 /nfs/dbraw/zinc/74/16/27/907741627.db2.gz OHTLZEUWVFCZML-UHFFFAOYSA-N 1 3 393.579 3.714 20 0 GHADHO c1ccc(CN2C[C@@H](C[NH2+][C@@H]3CCCc4ncccc43)C3(C2)CCOCC3)cc1 ZINC000631634901 907784727 /nfs/dbraw/zinc/78/47/27/907784727.db2.gz NWWXAKDUCZVYLP-ZJSXRUAMSA-N 1 3 391.559 3.977 20 0 GHADHO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000801730357 921431642 /nfs/dbraw/zinc/43/16/42/921431642.db2.gz HMQFYENHVMBUMS-DEOSSOPVSA-N 1 3 389.547 3.886 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(CN3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268779182 910012330 /nfs/dbraw/zinc/01/23/30/910012330.db2.gz HXKYMNSDVKLBSE-GBXCKJPGSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(CN3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268779182 910012342 /nfs/dbraw/zinc/01/23/42/910012342.db2.gz HXKYMNSDVKLBSE-GBXCKJPGSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000268961539 910084054 /nfs/dbraw/zinc/08/40/54/910084054.db2.gz FTJMMIXOVVRTCN-LLVKDONJSA-N 1 3 384.364 3.832 20 0 GHADHO CS(=O)(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638374997 910135814 /nfs/dbraw/zinc/13/58/14/910135814.db2.gz UJOCMJXOJYLOOE-IFMALSPDSA-N 1 3 399.560 3.516 20 0 GHADHO CS(=O)(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638374997 910135818 /nfs/dbraw/zinc/13/58/18/910135818.db2.gz UJOCMJXOJYLOOE-IFMALSPDSA-N 1 3 399.560 3.516 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638637219 910207714 /nfs/dbraw/zinc/20/77/14/910207714.db2.gz OYWKXNJBSPUFAP-NFBKMPQASA-N 1 3 385.596 3.834 20 0 GHADHO c1ccc([C@@H]2C[C@@H]([NH2+]CC3(N4CCCCC4)CCOCC3)CCN2C2CC2)cc1 ZINC000638865260 910257697 /nfs/dbraw/zinc/25/76/97/910257697.db2.gz YQSKGRJUSKMWBK-UPVQGACJSA-N 1 3 397.607 3.979 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774457704 911764614 /nfs/dbraw/zinc/76/46/14/911764614.db2.gz KAUADXUAVXKQNV-UYHISHBKSA-N 1 3 386.367 3.994 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CCC[C@H](n3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182471466 911789401 /nfs/dbraw/zinc/78/94/01/911789401.db2.gz XZZLKOLNAYVUKO-GMAHTHKFSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CCC[C@H](n3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182471466 911789417 /nfs/dbraw/zinc/78/94/17/911789417.db2.gz XZZLKOLNAYVUKO-GMAHTHKFSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@]1(CN2CCC[C@H](n3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001182471466 911789427 /nfs/dbraw/zinc/78/94/27/911789427.db2.gz XZZLKOLNAYVUKO-GMAHTHKFSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@]1(CN2CCC[C@H](n3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182471466 911789441 /nfs/dbraw/zinc/78/94/41/911789441.db2.gz XZZLKOLNAYVUKO-GMAHTHKFSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@]1(C[NH+]2CCC(Cn3cnnc3)CC2)CCN(Cc2ccccc2)C1 ZINC001182753340 912003506 /nfs/dbraw/zinc/00/35/06/912003506.db2.gz HFHXRCQSWJEAIT-DEOSSOPVSA-N 1 3 395.595 3.929 20 0 GHADHO C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000248552628 912208577 /nfs/dbraw/zinc/20/85/77/912208577.db2.gz JCRUMKZHCZMBFU-LAUBAEHRSA-N 1 3 376.903 3.966 20 0 GHADHO C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000248552628 912208591 /nfs/dbraw/zinc/20/85/91/912208591.db2.gz JCRUMKZHCZMBFU-LAUBAEHRSA-N 1 3 376.903 3.966 20 0 GHADHO COc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647249230 915105186 /nfs/dbraw/zinc/10/51/86/915105186.db2.gz LLDWUMXEKMJIIP-IRLDBZIGSA-N 1 3 388.515 3.587 20 0 GHADHO O=C(CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000647900740 915431152 /nfs/dbraw/zinc/43/11/52/915431152.db2.gz FVRRPRCTACKQDP-PKTZIBPZSA-N 1 3 391.559 3.746 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)ccc1OC ZINC000775370808 917211696 /nfs/dbraw/zinc/21/16/96/917211696.db2.gz JABOBGUCEUDAKR-HRAATJIYSA-N 1 3 382.552 3.844 20 0 GHADHO CCOc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1OC(F)F ZINC000650722377 917248703 /nfs/dbraw/zinc/24/87/03/917248703.db2.gz RFDAFSMOAHARGT-JFIYKMOQSA-N 1 3 384.467 3.548 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)ccc1OC ZINC000775393604 917382629 /nfs/dbraw/zinc/38/26/29/917382629.db2.gz HLGNMIITJNMZJB-HFSMHLIXSA-N 1 3 389.584 3.835 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000652073796 917792812 /nfs/dbraw/zinc/79/28/12/917792812.db2.gz QQXWNZSTLSCJHB-JMJGKCIBSA-N 1 3 391.559 3.653 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001137280383 924210453 /nfs/dbraw/zinc/21/04/53/924210453.db2.gz QAZRDXFVJJZHDP-YTFSRNRJSA-N 1 3 383.580 3.764 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001137280383 924210463 /nfs/dbraw/zinc/21/04/63/924210463.db2.gz QAZRDXFVJJZHDP-YTFSRNRJSA-N 1 3 383.580 3.764 20 0 GHADHO COc1ccc([C@H](N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccc(F)cc2)cc1 ZINC000679339325 925100226 /nfs/dbraw/zinc/10/02/26/925100226.db2.gz HIRXMEGUBQDGBF-XUZZJYLKSA-N 1 3 397.538 3.682 20 0 GHADHO Cc1ccc(-c2noc(CCCN3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)n2)cc1F ZINC000410083093 925302590 /nfs/dbraw/zinc/30/25/90/925302590.db2.gz SBZGWNDJGJOIAL-UXHICEINSA-N 1 3 394.494 3.791 20 0 GHADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000680508366 925499989 /nfs/dbraw/zinc/49/99/89/925499989.db2.gz HZNNBFPWYOHTNT-SIKLNZKXSA-N 1 3 386.584 3.585 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000410357100 925558056 /nfs/dbraw/zinc/55/80/56/925558056.db2.gz ZQGZUDOBEUPTTN-HXUWFJFHSA-N 1 3 398.595 3.688 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000410357100 925558063 /nfs/dbraw/zinc/55/80/63/925558063.db2.gz ZQGZUDOBEUPTTN-HXUWFJFHSA-N 1 3 398.595 3.688 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000410389850 925609924 /nfs/dbraw/zinc/60/99/24/925609924.db2.gz DFGGSCOMELNWEE-FQEVSTJZSA-N 1 3 388.600 3.790 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410389850 925609928 /nfs/dbraw/zinc/60/99/28/925609928.db2.gz DFGGSCOMELNWEE-FQEVSTJZSA-N 1 3 388.600 3.790 20 0 GHADHO Cc1cc([C@H](N)CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc(Cl)n1 ZINC000827864534 926096863 /nfs/dbraw/zinc/09/68/63/926096863.db2.gz VBRYFSYWFDDDLD-LJQANCHMSA-N 1 3 392.975 3.594 20 0 GHADHO COc1cc([C@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1OCCO ZINC000411463678 926418091 /nfs/dbraw/zinc/41/80/91/926418091.db2.gz WNPHNUOKBOVLOK-IBGZPJMESA-N 1 3 398.547 3.903 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000411466681 926424044 /nfs/dbraw/zinc/42/40/44/926424044.db2.gz SQMUYHVWPOUFDE-OAQYLSRUSA-N 1 3 377.960 3.760 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411553272 926508649 /nfs/dbraw/zinc/50/86/49/926508649.db2.gz QTKOAXYSAHYVRY-WIYYLYMNSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCc1nc(-c2ccccc2)no1 ZINC000411553272 926508661 /nfs/dbraw/zinc/50/86/61/926508661.db2.gz QTKOAXYSAHYVRY-WIYYLYMNSA-N 1 3 376.504 3.779 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)ccc1OC ZINC000374989727 927783087 /nfs/dbraw/zinc/78/30/87/927783087.db2.gz KRIYLBKCQXYNJQ-XJABCFGWSA-N 1 3 376.541 3.526 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000470133698 930397437 /nfs/dbraw/zinc/39/74/37/930397437.db2.gz NMQWXONFMCBNAO-FDHFVPJWSA-N 1 3 392.543 3.618 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000470133698 930397446 /nfs/dbraw/zinc/39/74/46/930397446.db2.gz NMQWXONFMCBNAO-FDHFVPJWSA-N 1 3 392.543 3.618 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000470133698 930397449 /nfs/dbraw/zinc/39/74/49/930397449.db2.gz NMQWXONFMCBNAO-FDHFVPJWSA-N 1 3 392.543 3.618 20 0 GHADHO CC(C)[NH+](CCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C(C)C ZINC000470468447 930642147 /nfs/dbraw/zinc/64/21/47/930642147.db2.gz ZKACJVLXCHVKIK-NRFANRHFSA-N 1 3 388.600 3.801 20 0 GHADHO C[C@@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000470758000 930888370 /nfs/dbraw/zinc/88/83/70/930888370.db2.gz VEWOQFLEFJDREW-URVUXULASA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000470758000 930888374 /nfs/dbraw/zinc/88/83/74/930888374.db2.gz VEWOQFLEFJDREW-URVUXULASA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000187284712 931379637 /nfs/dbraw/zinc/37/96/37/931379637.db2.gz PFBZOHAJHNWQSW-GCJKJVERSA-N 1 3 377.532 3.738 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000187284712 931379644 /nfs/dbraw/zinc/37/96/44/931379644.db2.gz PFBZOHAJHNWQSW-GCJKJVERSA-N 1 3 377.532 3.738 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(C(C)(C)O)cc1 ZINC000924722034 931515587 /nfs/dbraw/zinc/51/55/87/931515587.db2.gz JXHNHRABHDEACS-IBGZPJMESA-N 1 3 381.564 3.512 20 0 GHADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCNC[C@H]3C3CCCC3)CC2)cs1 ZINC000925572481 931826829 /nfs/dbraw/zinc/82/68/29/931826829.db2.gz JBPWMQABQYIMTO-LEWJYISDSA-N 1 3 390.641 3.675 20 0 GHADHO CCCCn1nc(C)c(CN2CCC(CCC[NH+]3CCOCC3)CC2)c1Cl ZINC000780780855 931871098 /nfs/dbraw/zinc/87/10/98/931871098.db2.gz CAGNRKWAZILPSI-UHFFFAOYSA-N 1 3 397.007 3.969 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000558316554 931937899 /nfs/dbraw/zinc/93/78/99/931937899.db2.gz LLXJFMUAUKAURU-RBBKRZOGSA-N 1 3 388.600 3.517 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000558316554 931937905 /nfs/dbraw/zinc/93/79/05/931937905.db2.gz LLXJFMUAUKAURU-RBBKRZOGSA-N 1 3 388.600 3.517 20 0 GHADHO Cc1cc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc(Cl)n1 ZINC000797592010 932337569 /nfs/dbraw/zinc/33/75/69/932337569.db2.gz KOODGNWFZQMXMU-UHFFFAOYSA-N 1 3 378.992 3.672 20 0 GHADHO CC[NH+](CC)CC1CCN([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559049564 932396430 /nfs/dbraw/zinc/39/64/30/932396430.db2.gz RDWNUDAUCGQESP-DYESRHJHSA-N 1 3 375.532 3.541 20 0 GHADHO C[N@@H+]1CC[C@@H](NCc2cccc(CN3CCCC3=O)c2)C[C@H]1c1ccccc1 ZINC000559741438 932829990 /nfs/dbraw/zinc/82/99/90/932829990.db2.gz MEQJIUBGTJOBMQ-PKTZIBPZSA-N 1 3 377.532 3.734 20 0 GHADHO C[N@H+]1CC[C@@H](NCc2cccc(CN3CCCC3=O)c2)C[C@H]1c1ccccc1 ZINC000559741438 932829991 /nfs/dbraw/zinc/82/99/91/932829991.db2.gz MEQJIUBGTJOBMQ-PKTZIBPZSA-N 1 3 377.532 3.734 20 0 GHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000560894472 933660837 /nfs/dbraw/zinc/66/08/37/933660837.db2.gz WSRFFDPZMLHYMA-FHWLQOOXSA-N 1 3 390.572 3.757 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C[C@H]1C(F)(F)F ZINC001119953619 934424284 /nfs/dbraw/zinc/42/42/84/934424284.db2.gz ILFDDASEBFXQTB-KBAYOESNSA-N 1 3 390.490 3.893 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@H](O)c1cccc(Cl)c1)c1ccccc1O2 ZINC001120559901 934472987 /nfs/dbraw/zinc/47/29/87/934472987.db2.gz YXPFYVMFWAKNQT-PMACEKPBSA-N 1 3 386.923 3.951 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1O2 ZINC001120559901 934472990 /nfs/dbraw/zinc/47/29/90/934472990.db2.gz YXPFYVMFWAKNQT-PMACEKPBSA-N 1 3 386.923 3.951 20 0 GHADHO CC[NH+](CC)CC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469028680 1016353126 /nfs/dbraw/zinc/35/31/26/1016353126.db2.gz RBYGCEPQIJVAAJ-NRFANRHFSA-N 1 3 393.522 3.510 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)(N2CCCCC2)CC1 ZINC000469488504 1016577130 /nfs/dbraw/zinc/57/71/30/1016577130.db2.gz TUTXJFZROOPZCH-HZPDHXFCSA-N 1 3 396.000 3.572 20 0 GHADHO CN1CCC([N@@H+]2CC[C@@H](N[C@@H](c3ccc(Cl)cc3)c3ccccn3)C2)CC1 ZINC000925041301 1017032017 /nfs/dbraw/zinc/03/20/17/1017032017.db2.gz MZRVOYFNOLKMBU-KNQAVFIVSA-N 1 3 384.955 3.583 20 0 GHADHO CN1CCC([N@H+]2CC[C@@H](N[C@@H](c3ccc(Cl)cc3)c3ccccn3)C2)CC1 ZINC000925041301 1017032030 /nfs/dbraw/zinc/03/20/30/1017032030.db2.gz MZRVOYFNOLKMBU-KNQAVFIVSA-N 1 3 384.955 3.583 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1(Cc2ccccc2)CCC(F)(F)CC1 ZINC001220942816 1032200923 /nfs/dbraw/zinc/20/09/23/1032200923.db2.gz HKEMQYNMXZLLGK-IBGZPJMESA-N 1 3 395.538 3.789 20 0 GHADHO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220962256 1032210868 /nfs/dbraw/zinc/21/08/68/1032210868.db2.gz GADPLYGOXVFFSF-OAQYLSRUSA-N 1 3 395.522 3.573 20 0 GHADHO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220962256 1032210881 /nfs/dbraw/zinc/21/08/81/1032210881.db2.gz GADPLYGOXVFFSF-OAQYLSRUSA-N 1 3 395.522 3.573 20 0 GHADHO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220962256 1032210899 /nfs/dbraw/zinc/21/08/99/1032210899.db2.gz GADPLYGOXVFFSF-OAQYLSRUSA-N 1 3 395.522 3.573 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H](c1cccnc1)C1CC1 ZINC001227163620 1032302252 /nfs/dbraw/zinc/30/22/52/1032302252.db2.gz DTBJCMFHBUPIRC-QHCPKHFHSA-N 1 3 396.579 3.797 20 0 GHADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001227435627 1032419255 /nfs/dbraw/zinc/41/92/55/1032419255.db2.gz RUDRIAFHJVVPBQ-VXKWHMMOSA-N 1 3 388.600 3.661 20 0 GHADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001227435627 1032419261 /nfs/dbraw/zinc/41/92/61/1032419261.db2.gz RUDRIAFHJVVPBQ-VXKWHMMOSA-N 1 3 388.600 3.661 20 0 GHADHO C[C@H](N)[C@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1 ZINC000925659316 1017129274 /nfs/dbraw/zinc/12/92/74/1017129274.db2.gz LRNXTXSFFKZYPX-MBSDFSHPSA-N 1 3 390.531 3.984 20 0 GHADHO CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001228043622 1032750791 /nfs/dbraw/zinc/75/07/91/1032750791.db2.gz PWHWYONXBXANJD-QFIPXVFZSA-N 1 3 398.595 3.874 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000564017747 1018995121 /nfs/dbraw/zinc/99/51/21/1018995121.db2.gz SPOSRFOPKBZUKN-FCHUYYIVSA-N 1 3 387.568 3.600 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000564017747 1018995124 /nfs/dbraw/zinc/99/51/24/1018995124.db2.gz SPOSRFOPKBZUKN-FCHUYYIVSA-N 1 3 387.568 3.600 20 0 GHADHO Cc1nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc(N2CCCC2)n1 ZINC001156313829 1032975193 /nfs/dbraw/zinc/97/51/93/1032975193.db2.gz CUNHQSYVRUCUTL-QHAWAJNXSA-N 1 3 377.536 3.708 20 0 GHADHO Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc(N2CCCC2)n1 ZINC001156313829 1032975199 /nfs/dbraw/zinc/97/51/99/1032975199.db2.gz CUNHQSYVRUCUTL-QHAWAJNXSA-N 1 3 377.536 3.708 20 0 GHADHO Cc1ccc2n[nH]c(C[N@H+]3C[C@@H]4CCC[C@@H](N(C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330597 1021422314 /nfs/dbraw/zinc/42/23/14/1021422314.db2.gz GWRFRCYGPORMFE-NSXLHWASSA-N 1 3 389.547 3.999 20 0 GHADHO Cc1ccc2n[nH]c(C[N@@H+]3C[C@@H]4CCC[C@@H](N(C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330597 1021422318 /nfs/dbraw/zinc/42/23/18/1021422318.db2.gz GWRFRCYGPORMFE-NSXLHWASSA-N 1 3 389.547 3.999 20 0 GHADHO CN1CCN(Cc2cccc(Nc3cccc4c3OCC[C@@H]4[NH+](C)C)c2)CC1 ZINC001204573564 1032979465 /nfs/dbraw/zinc/97/94/65/1032979465.db2.gz BMIPCXDVTYRBRI-QFIPXVFZSA-N 1 3 380.536 3.563 20 0 GHADHO Brc1ccc([C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)[C@@H]2CCCO2)cc1 ZINC000679331697 1021988322 /nfs/dbraw/zinc/98/83/22/1021988322.db2.gz MVRZKJSOQVUXOB-CCKFTAQKSA-N 1 3 379.342 3.743 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000679584064 1022018942 /nfs/dbraw/zinc/01/89/42/1022018942.db2.gz ZXOIDWUCPDCJRQ-UHFFFAOYSA-N 1 3 394.515 3.688 20 0 GHADHO Brc1cc(CN2CCCC3(CC[NH2+]CC3)C2)ccc1-n1ccnc1 ZINC001204743013 1033059627 /nfs/dbraw/zinc/05/96/27/1033059627.db2.gz XHGDUOOMGXCUSM-UHFFFAOYSA-N 1 3 389.341 3.600 20 0 GHADHO CN1CCN(Cc2ccc(Nc3ccc(OCC[NH+]4CCCC4)cc3)cc2)CC1 ZINC001204747414 1033063569 /nfs/dbraw/zinc/06/35/69/1033063569.db2.gz VHJYUYMELYGGPZ-UHFFFAOYSA-N 1 3 394.563 3.652 20 0 GHADHO Cc1cc(OC(F)(F)F)ccc1CN1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140962359 1023015894 /nfs/dbraw/zinc/01/58/94/1023015894.db2.gz JFGUKLCDFAOWOL-ROUUACIJSA-N 1 3 391.437 3.852 20 0 GHADHO C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4CC[C@H](N5CCOCC5)CC4)cc32)CC1 ZINC001228824209 1033122373 /nfs/dbraw/zinc/12/23/73/1033122373.db2.gz ZWOTVUVBEMCEPS-MXVIHJGJSA-N 1 3 397.563 3.999 20 0 GHADHO c1cn(-c2cccc(C[NH+]3CCC4(CCN(Cc5ccoc5)C4)CC3)c2)cn1 ZINC001141241551 1024245652 /nfs/dbraw/zinc/24/56/52/1024245652.db2.gz KXCTWBCOZZZTOK-UHFFFAOYSA-N 1 3 376.504 3.953 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578902 1025057814 /nfs/dbraw/zinc/05/78/14/1025057814.db2.gz FHDMUYHZUDHTOG-DUXKGJEZSA-N 1 3 381.568 3.835 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578902 1025057822 /nfs/dbraw/zinc/05/78/22/1025057822.db2.gz FHDMUYHZUDHTOG-DUXKGJEZSA-N 1 3 381.568 3.835 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccnc(Cl)c1)CC2 ZINC001138817807 1025416804 /nfs/dbraw/zinc/41/68/04/1025416804.db2.gz CFNYAZFXTWDXMP-FQEVSTJZSA-N 1 3 385.939 3.991 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccnc(Cl)c1)CC2 ZINC001138817807 1025416817 /nfs/dbraw/zinc/41/68/17/1025416817.db2.gz CFNYAZFXTWDXMP-FQEVSTJZSA-N 1 3 385.939 3.991 20 0 GHADHO [NH3+]C1CCN(c2cccc(NCCc3ccc(Oc4ccccc4)nc3)n2)CC1 ZINC001162582054 1025806745 /nfs/dbraw/zinc/80/67/45/1025806745.db2.gz MPTTXDXAFJCLLI-UHFFFAOYSA-N 1 3 389.503 3.851 20 0 GHADHO COc1ccc(-c2ccccc2)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001139070948 1025872140 /nfs/dbraw/zinc/87/21/40/1025872140.db2.gz AJNDDJZFSLADSR-UHFFFAOYSA-N 1 3 393.575 3.822 20 0 GHADHO COc1ccc(OC)c(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)c1N ZINC001139274809 1026121442 /nfs/dbraw/zinc/12/14/42/1026121442.db2.gz VSDLMQBOCRBHEB-NRFANRHFSA-N 1 3 399.535 3.756 20 0 GHADHO COc1ccc(OC)c(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)c1N ZINC001139274809 1026121451 /nfs/dbraw/zinc/12/14/51/1026121451.db2.gz VSDLMQBOCRBHEB-NRFANRHFSA-N 1 3 399.535 3.756 20 0 GHADHO c1ccc(CN2CCN(c3ccccc3C[NH+]3CC4(C3)CCOCC4)CC2)cc1 ZINC001139512528 1026365805 /nfs/dbraw/zinc/36/58/05/1026365805.db2.gz CCUVBJNPSLCTCY-UHFFFAOYSA-N 1 3 391.559 3.621 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC001461145937 1069412584 /nfs/dbraw/zinc/41/25/84/1069412584.db2.gz MIEMTLLJDJDXHH-UHFFFAOYSA-N 1 3 389.540 3.587 20 0 GHADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccccc1F)CC2 ZINC001203347179 1027284017 /nfs/dbraw/zinc/28/40/17/1027284017.db2.gz AEOIHONDKGUCLO-OAQYLSRUSA-N 1 3 390.543 3.555 20 0 GHADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccccc1F)CC2 ZINC001203347179 1027284027 /nfs/dbraw/zinc/28/40/27/1027284027.db2.gz AEOIHONDKGUCLO-OAQYLSRUSA-N 1 3 390.543 3.555 20 0 GHADHO COc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc(OC)c1O ZINC001204126684 1027898381 /nfs/dbraw/zinc/89/83/81/1027898381.db2.gz LMHJCGDUVBPTAA-RTWAWAEBSA-N 1 3 396.531 3.753 20 0 GHADHO COc1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc(OC)c1O ZINC001204126684 1027898398 /nfs/dbraw/zinc/89/83/98/1027898398.db2.gz LMHJCGDUVBPTAA-RTWAWAEBSA-N 1 3 396.531 3.753 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)N(C)C)cc1 ZINC001211305852 1027902739 /nfs/dbraw/zinc/90/27/39/1027902739.db2.gz YGTANASIAVTFON-QFIPXVFZSA-N 1 3 388.600 3.806 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)N(C)C)cc1 ZINC001211305852 1027902742 /nfs/dbraw/zinc/90/27/42/1027902742.db2.gz YGTANASIAVTFON-QFIPXVFZSA-N 1 3 388.600 3.806 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1 ZINC000840883510 1027920148 /nfs/dbraw/zinc/92/01/48/1027920148.db2.gz DNFQWJYEXIWGIV-HXUWFJFHSA-N 1 3 390.531 3.550 20 0 GHADHO C[NH+](C)CC1(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001142846134 1029572173 /nfs/dbraw/zinc/57/21/73/1029572173.db2.gz VLVGBNHLPFABKG-UHFFFAOYSA-N 1 3 398.378 3.760 20 0 GHADHO CSC1(CNCc2c(C)ccc(Br)c2F)CC[NH+](C)CC1 ZINC001461553042 1069606646 /nfs/dbraw/zinc/60/66/46/1069606646.db2.gz NMHXBPLIBYHXKC-UHFFFAOYSA-N 1 3 375.351 3.814 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1CN1CCCCC1 ZINC000842917014 1029683076 /nfs/dbraw/zinc/68/30/76/1029683076.db2.gz SJOUKLBVNNXGHD-FDDCHVKYSA-N 1 3 390.568 3.509 20 0 GHADHO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364852 1029942764 /nfs/dbraw/zinc/94/27/64/1029942764.db2.gz ZTRZDDMYUXFBBU-GOSISDBHSA-N 1 3 379.504 3.881 20 0 GHADHO CCOC(=O)[C@@H]1CC2(CN1CC[C@H](C)CCCC(C)(C)OC)CC[NH2+]CC2 ZINC001222215382 1030011900 /nfs/dbraw/zinc/01/19/00/1030011900.db2.gz DGMSBQJPMPVMIA-MOPGFXCFSA-N 1 3 382.589 3.615 20 0 GHADHO CCOC(=O)[C@H]1CC2(CN1Cc1ccccc1-c1ccccc1)CC[NH2+]CC2 ZINC001222226901 1030021372 /nfs/dbraw/zinc/02/13/72/1030021372.db2.gz YPLCUPPFOHTICN-JOCHJYFZSA-N 1 3 378.516 3.861 20 0 GHADHO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC001149519406 1030203689 /nfs/dbraw/zinc/20/36/89/1030203689.db2.gz QFEMRXOJHXQHSU-YADHBBJMSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC001149519406 1030203710 /nfs/dbraw/zinc/20/37/10/1030203710.db2.gz QFEMRXOJHXQHSU-YADHBBJMSA-N 1 3 383.580 3.764 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H]6CCC[NH2+]C6)cc54)O[C@H](CN3C1)C2 ZINC001218286695 1030871726 /nfs/dbraw/zinc/87/17/26/1030871726.db2.gz SETJSIMBQUPVMX-ALQCLRNSSA-N 1 3 393.531 3.680 20 0 GHADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cn(Cc2ccccc2)c2ccccc12 ZINC001218693339 1031036936 /nfs/dbraw/zinc/03/69/36/1031036936.db2.gz FMNJJCQHHROGAG-FQEVSTJZSA-N 1 3 378.520 3.687 20 0 GHADHO CC(C)C[C@H]([NH3+])CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001218846016 1031110153 /nfs/dbraw/zinc/11/01/53/1031110153.db2.gz ULHDKDZZZXBNTA-NRFANRHFSA-N 1 3 394.563 3.711 20 0 GHADHO Nc1ccc(-c2ccc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cc2Cl)c(Cl)c1 ZINC001218862027 1031122700 /nfs/dbraw/zinc/12/27/00/1031122700.db2.gz MRUSRFQTEOMYRW-SFHVURJKSA-N 1 3 393.318 3.508 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001224898666 1031169509 /nfs/dbraw/zinc/16/95/09/1031169509.db2.gz KGSCCJHOXPNSOR-CEMLEFRQSA-N 1 3 386.584 3.776 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001224898666 1031169520 /nfs/dbraw/zinc/16/95/20/1031169520.db2.gz KGSCCJHOXPNSOR-CEMLEFRQSA-N 1 3 386.584 3.776 20 0 GHADHO Cc1cccc(C[C@]2(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CCC[NH2+]2)c1 ZINC001219998916 1031738238 /nfs/dbraw/zinc/73/82/38/1031738238.db2.gz FUBGDFXQDBPBCX-NOZRDPDXSA-N 1 3 391.559 3.613 20 0 GHADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC001205446407 1033414702 /nfs/dbraw/zinc/41/47/02/1033414702.db2.gz KHBCDMAUTRFVFY-SVXFZJLFSA-N 1 3 399.579 3.886 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205637654 1033505549 /nfs/dbraw/zinc/50/55/49/1033505549.db2.gz ICLKROZCBPWXFS-ZIAGYGMSSA-N 1 3 377.916 3.805 20 0 GHADHO Cc1ccc(C2(CC(=O)N3CCN(CC4CCCCC4)CC3)CC[NH2+]CC2)cc1 ZINC001157579601 1033669742 /nfs/dbraw/zinc/66/97/42/1033669742.db2.gz PGEYXRNIYFIGGR-UHFFFAOYSA-N 1 3 397.607 3.731 20 0 GHADHO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(C)c1 ZINC001206776450 1033978939 /nfs/dbraw/zinc/97/89/39/1033978939.db2.gz BICULTDWIZFANI-HSZRJFAPSA-N 1 3 383.536 3.892 20 0 GHADHO COc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c(C)c1 ZINC001206776450 1033978944 /nfs/dbraw/zinc/97/89/44/1033978944.db2.gz BICULTDWIZFANI-HSZRJFAPSA-N 1 3 383.536 3.892 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214496 1034181470 /nfs/dbraw/zinc/18/14/70/1034181470.db2.gz NUKMAMCBNSYAMG-VSKRKVRLSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214496 1034181485 /nfs/dbraw/zinc/18/14/85/1034181485.db2.gz NUKMAMCBNSYAMG-VSKRKVRLSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214496 1034181495 /nfs/dbraw/zinc/18/14/95/1034181495.db2.gz NUKMAMCBNSYAMG-VSKRKVRLSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214496 1034181512 /nfs/dbraw/zinc/18/15/12/1034181512.db2.gz NUKMAMCBNSYAMG-VSKRKVRLSA-N 1 3 399.579 3.697 20 0 GHADHO C[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(C2CCCCC2)CC1 ZINC001207216844 1034184447 /nfs/dbraw/zinc/18/44/47/1034184447.db2.gz MTKKSTSSXOXZGB-SFHVURJKSA-N 1 3 379.589 3.972 20 0 GHADHO C[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(C2CCCCC2)CC1 ZINC001207216844 1034184458 /nfs/dbraw/zinc/18/44/58/1034184458.db2.gz MTKKSTSSXOXZGB-SFHVURJKSA-N 1 3 379.589 3.972 20 0 GHADHO CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207216844 1034184468 /nfs/dbraw/zinc/18/44/68/1034184468.db2.gz MTKKSTSSXOXZGB-SFHVURJKSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001207245028 1034208169 /nfs/dbraw/zinc/20/81/69/1034208169.db2.gz PTIYWJNTJOHVCT-KRWDZBQOSA-N 1 3 383.552 3.532 20 0 GHADHO Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC001230859241 1034255685 /nfs/dbraw/zinc/25/56/85/1034255685.db2.gz UUVWBBSNFWHFIR-KSEOMHKRSA-N 1 3 388.600 3.545 20 0 GHADHO Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC001230859241 1034255701 /nfs/dbraw/zinc/25/57/01/1034255701.db2.gz UUVWBBSNFWHFIR-KSEOMHKRSA-N 1 3 388.600 3.545 20 0 GHADHO CC(C)[N@@H+]1CCOC[C@]2(CCCN(CCc3ccc(Br)cc3)C2)C1 ZINC001207379540 1034325615 /nfs/dbraw/zinc/32/56/15/1034325615.db2.gz ATKZULYFCOPDBJ-FQEVSTJZSA-N 1 3 395.385 3.814 20 0 GHADHO CC(C)[N@H+]1CCOC[C@]2(CCCN(CCc3ccc(Br)cc3)C2)C1 ZINC001207379540 1034325626 /nfs/dbraw/zinc/32/56/26/1034325626.db2.gz ATKZULYFCOPDBJ-FQEVSTJZSA-N 1 3 395.385 3.814 20 0 GHADHO CCC[NH+](CCC)CCCN1CCN(CCCc2ccc(OC)cc2)CC1 ZINC001207584883 1034464253 /nfs/dbraw/zinc/46/42/53/1034464253.db2.gz NFZTWPJFUWGZOV-UHFFFAOYSA-N 1 3 375.601 3.758 20 0 GHADHO C[C@@H](C(=O)NCCCCC[NH+]1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC001159316210 1034540749 /nfs/dbraw/zinc/54/07/49/1034540749.db2.gz ZBYSIFWBJRBOIW-NRFANRHFSA-N 1 3 385.596 3.712 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccc4ncc(F)cc4n3)c3ccccc23)CC1 ZINC001159467078 1034609437 /nfs/dbraw/zinc/60/94/37/1034609437.db2.gz MBJAPOCWFMECSO-UHFFFAOYSA-N 1 3 389.478 3.678 20 0 GHADHO Cc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc(C(C)(C)C)n1 ZINC001159467732 1034609657 /nfs/dbraw/zinc/60/96/57/1034609657.db2.gz RTJKPSNSPBHALK-UHFFFAOYSA-N 1 3 391.563 3.992 20 0 GHADHO CC[NH+](CC)CCCN1CCN(CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001207845778 1034619371 /nfs/dbraw/zinc/61/93/71/1034619371.db2.gz NJOAKWCRZQSBNH-UHFFFAOYSA-N 1 3 385.518 3.988 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccc(C)nc1C)CC2 ZINC001232082033 1035084186 /nfs/dbraw/zinc/08/41/86/1035084186.db2.gz LQAFGTDJKKDFNV-QHCPKHFHSA-N 1 3 394.563 3.597 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccc(C)nc1C)CC2 ZINC001232082033 1035084191 /nfs/dbraw/zinc/08/41/91/1035084191.db2.gz LQAFGTDJKKDFNV-QHCPKHFHSA-N 1 3 394.563 3.597 20 0 GHADHO CN(CC1C[NH+](C[C@@H]2CCCN(Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208932387 1035097870 /nfs/dbraw/zinc/09/78/70/1035097870.db2.gz POBFXNIFXRQZHC-HXUWFJFHSA-N 1 3 387.568 3.697 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001160936511 1035098435 /nfs/dbraw/zinc/09/84/35/1035098435.db2.gz YDANENQNZRSAPW-ARNLJNQMSA-N 1 3 391.559 3.885 20 0 GHADHO FC(F)(F)c1nc(C2CC[NH+](C[C@@H]3CCN(Cc4ccccc4)C3)CC2)no1 ZINC001208949317 1035121121 /nfs/dbraw/zinc/12/11/21/1035121121.db2.gz KUPKRPRMVFAYDI-INIZCTEOSA-N 1 3 394.441 3.790 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950404 1035122548 /nfs/dbraw/zinc/12/25/48/1035122548.db2.gz SVEWQQCTCKDBCH-SFTDATJTSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950404 1035122555 /nfs/dbraw/zinc/12/25/55/1035122555.db2.gz SVEWQQCTCKDBCH-SFTDATJTSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CCN2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC001208951773 1035123868 /nfs/dbraw/zinc/12/38/68/1035123868.db2.gz MYPQEWGSPZUXTI-MOUTVQLLSA-N 1 3 386.580 3.803 20 0 GHADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CCN2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC001208951773 1035123872 /nfs/dbraw/zinc/12/38/72/1035123872.db2.gz MYPQEWGSPZUXTI-MOUTVQLLSA-N 1 3 386.580 3.803 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CCc3ncnc(-c4ccccc4)c3CC2)c1 ZINC001232150001 1035129480 /nfs/dbraw/zinc/12/94/80/1035129480.db2.gz OHPFGGVFNIUFNZ-UHFFFAOYSA-N 1 3 390.506 3.945 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c1 ZINC001232150001 1035129485 /nfs/dbraw/zinc/12/94/85/1035129485.db2.gz OHPFGGVFNIUFNZ-UHFFFAOYSA-N 1 3 390.506 3.945 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c1 ZINC001232150001 1035129492 /nfs/dbraw/zinc/12/94/92/1035129492.db2.gz OHPFGGVFNIUFNZ-UHFFFAOYSA-N 1 3 390.506 3.945 20 0 GHADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001209123883 1035184157 /nfs/dbraw/zinc/18/41/57/1035184157.db2.gz ADIQGJVZCZJWTD-NHCUHLMSSA-N 1 3 396.497 3.928 20 0 GHADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001209123883 1035184160 /nfs/dbraw/zinc/18/41/60/1035184160.db2.gz ADIQGJVZCZJWTD-NHCUHLMSSA-N 1 3 396.497 3.928 20 0 GHADHO C[C@H]1CN(C(=O)CCC[NH+](Cc2ccccc2)Cc2ccccc2)C[C@H](C)N1 ZINC001161229771 1035186021 /nfs/dbraw/zinc/18/60/21/1035186021.db2.gz VCSFEPHJVCVHDF-SFTDATJTSA-N 1 3 379.548 3.678 20 0 GHADHO Cc1ccc(CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)CN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161396661 1035221847 /nfs/dbraw/zinc/22/18/47/1035221847.db2.gz ONZFKZSHQFYOAH-VJANTYMQSA-N 1 3 397.485 3.524 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](Nc3cc4c(nn3)CCNC4)[C@H](c3ccccc3)C2)cc1 ZINC001161464042 1035236177 /nfs/dbraw/zinc/23/61/77/1035236177.db2.gz XNJKVTKIAWZLNE-UPVQGACJSA-N 1 3 399.542 3.593 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](Nc3cc4c(nn3)CCNC4)[C@H](c3ccccc3)C2)cc1 ZINC001161464042 1035236182 /nfs/dbraw/zinc/23/61/82/1035236182.db2.gz XNJKVTKIAWZLNE-UPVQGACJSA-N 1 3 399.542 3.593 20 0 GHADHO c1cc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(N4CCCC4)nc2)CC3)co1 ZINC001209625199 1035335139 /nfs/dbraw/zinc/33/51/39/1035335139.db2.gz ZMHHESZHKCUSKF-UHFFFAOYSA-N 1 3 380.536 3.763 20 0 GHADHO c1cc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(N4CCCC4)nc2)CC3)co1 ZINC001209625199 1035335142 /nfs/dbraw/zinc/33/51/42/1035335142.db2.gz ZMHHESZHKCUSKF-UHFFFAOYSA-N 1 3 380.536 3.763 20 0 GHADHO Cc1ccccc1OC[C@@H](O)CN[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001246005295 1037125648 /nfs/dbraw/zinc/12/56/48/1037125648.db2.gz IXWVPTBSEVSDGC-SIKLNZKXSA-N 1 3 386.511 3.594 20 0 GHADHO CC(C)(C)Oc1ccc([C@H]2CC[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246066277 1037177018 /nfs/dbraw/zinc/17/70/18/1037177018.db2.gz SZQWGGAQLFEPFH-ACIOBRDBSA-N 1 3 382.548 3.584 20 0 GHADHO CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246066277 1037177028 /nfs/dbraw/zinc/17/70/28/1037177028.db2.gz SZQWGGAQLFEPFH-ACIOBRDBSA-N 1 3 382.548 3.584 20 0 GHADHO Fc1cccc2c1C[C@@H]([NH2+]C1(c3ccc(Br)cc3)CCNCC1)C2 ZINC001246186214 1037227499 /nfs/dbraw/zinc/22/74/99/1037227499.db2.gz XQIXBEOYXXHDFR-KRWDZBQOSA-N 1 3 389.312 3.924 20 0 GHADHO CCCC[C@@H]1C[C@H](N[C@@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246266073 1037264936 /nfs/dbraw/zinc/26/49/36/1037264936.db2.gz FUFVUGCZEDRRKG-KZNAEPCWSA-N 1 3 398.332 3.659 20 0 GHADHO CCCC[C@@H]1C[C@@H](NC[C@H]2C[C@]2(C(=O)N(CC)CC)c2ccccc2)CC[NH2+]1 ZINC001246283210 1037276162 /nfs/dbraw/zinc/27/61/62/1037276162.db2.gz AITZOWSJGOQUDZ-SVPADUAOSA-N 1 3 385.596 3.713 20 0 GHADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246292292 1037280847 /nfs/dbraw/zinc/28/08/47/1037280847.db2.gz WSLGAGNISYFDOT-RQTOMXEWSA-N 1 3 397.607 3.857 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@@H]3CCN[C@H](Cc4ccccc4)C3)CC2)c(F)c1 ZINC001246356640 1037315557 /nfs/dbraw/zinc/31/55/57/1037315557.db2.gz VFIUFEGTOWDHNA-DHIUTWEWSA-N 1 3 399.529 3.882 20 0 GHADHO COc1ccc(CN2CC[C@H](N[C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360007 1037318261 /nfs/dbraw/zinc/31/82/61/1037318261.db2.gz DKNHDLLBTRXZFV-DPLHUUCSSA-N 1 3 397.538 3.800 20 0 GHADHO C[C@H]1C[C@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246380833 1037339989 /nfs/dbraw/zinc/33/99/89/1037339989.db2.gz KSFRFMSLECFCSV-UGKGYDQZSA-N 1 3 381.539 3.743 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246391710 1037351324 /nfs/dbraw/zinc/35/13/24/1037351324.db2.gz NWTGVJIOXAQZON-FQEVSTJZSA-N 1 3 384.495 3.830 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H](N[C@H]2CCN(Cc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246398197 1037358608 /nfs/dbraw/zinc/35/86/08/1037358608.db2.gz VDBAWZIIJMTNFT-QNWVGRARSA-N 1 3 385.502 3.930 20 0 GHADHO CCCC[C@H]1C[C@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)CCN1 ZINC001246407706 1037363644 /nfs/dbraw/zinc/36/36/44/1037363644.db2.gz SNMIHUQRAGMDEB-VQTJNVASSA-N 1 3 381.568 3.747 20 0 GHADHO COC(=O)[C@H]1CCC[C@H](NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246430927 1037390571 /nfs/dbraw/zinc/39/05/71/1037390571.db2.gz VYLSPYVOZIXWKH-WMZOPIPTSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246430927 1037390591 /nfs/dbraw/zinc/39/05/91/1037390591.db2.gz VYLSPYVOZIXWKH-WMZOPIPTSA-N 1 3 398.469 3.692 20 0 GHADHO c1ccc2c(c1)ncnc2N1CCC[C@H](N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246436137 1037400318 /nfs/dbraw/zinc/40/03/18/1037400318.db2.gz UKBIMGJVXPKQFJ-MOPGFXCFSA-N 1 3 379.552 3.643 20 0 GHADHO Fc1cccc(C2([NH2+][C@H]3CCc4cc(F)c(F)c(F)c4C3)CCNCC2)c1 ZINC001246439577 1037401488 /nfs/dbraw/zinc/40/14/88/1037401488.db2.gz WNXCNHYXAAMPOJ-INIZCTEOSA-N 1 3 378.413 3.969 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)CC1 ZINC001246439229 1037402005 /nfs/dbraw/zinc/40/20/05/1037402005.db2.gz WEEPBULLAXMQCH-MJGOQNOKSA-N 1 3 378.944 3.716 20 0 GHADHO COc1cccc2c1C[C@@H](N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)CO2 ZINC001246445839 1037407997 /nfs/dbraw/zinc/40/79/97/1037407997.db2.gz AGKKQMBCAGCWKN-DYESRHJHSA-N 1 3 384.495 3.858 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN[C@H](Cc3ccccc3)C1)CCC2 ZINC001246496925 1037441272 /nfs/dbraw/zinc/44/12/72/1037441272.db2.gz DMSHGNMDDCOZNY-XJUOHMSHSA-N 1 3 378.516 3.804 20 0 GHADHO CC[C@@H]1C[C@H](NC[C@@H]2COc3ccc(Br)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246508956 1037448009 /nfs/dbraw/zinc/44/80/09/1037448009.db2.gz GZNAGQRZSDSRMO-ZSGPHXLJSA-N 1 3 381.358 3.899 20 0 GHADHO C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246533429 1037467794 /nfs/dbraw/zinc/46/77/94/1037467794.db2.gz CRCRYUCBAGSEJC-RBUKOAKNSA-N 1 3 377.454 3.938 20 0 GHADHO C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246533429 1037467798 /nfs/dbraw/zinc/46/77/98/1037467798.db2.gz CRCRYUCBAGSEJC-RBUKOAKNSA-N 1 3 377.454 3.938 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@@H](CN)[C@@H]2C)CC1 ZINC001246566492 1037484069 /nfs/dbraw/zinc/48/40/69/1037484069.db2.gz RRWTXNOVSHOKGT-UVMVFJKDSA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@@H](CN)[C@@H]2C)CC1 ZINC001246566492 1037484093 /nfs/dbraw/zinc/48/40/93/1037484093.db2.gz RRWTXNOVSHOKGT-UVMVFJKDSA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@H](CN)[C@H]2C)CC1 ZINC001246566485 1037484891 /nfs/dbraw/zinc/48/48/91/1037484891.db2.gz RRWTXNOVSHOKGT-FIZWLOMBSA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@H](CN)[C@H]2C)CC1 ZINC001246566485 1037484912 /nfs/dbraw/zinc/48/49/12/1037484912.db2.gz RRWTXNOVSHOKGT-FIZWLOMBSA-N 1 3 378.944 3.753 20 0 GHADHO C1COC2(CCC(C3CCC([N@@H+]4CCC[C@@]5(CCCNC5)C4)CC3)CC2)O1 ZINC001246609327 1037503150 /nfs/dbraw/zinc/50/31/50/1037503150.db2.gz LLVUITZYNADOMO-KITAHSCOSA-N 1 3 376.585 3.944 20 0 GHADHO C1COC2(CCC(C3CCC([N@H+]4CCC[C@@]5(CCCNC5)C4)CC3)CC2)O1 ZINC001246609327 1037503170 /nfs/dbraw/zinc/50/31/70/1037503170.db2.gz LLVUITZYNADOMO-KITAHSCOSA-N 1 3 376.585 3.944 20 0 GHADHO CC(C)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246674101 1037541469 /nfs/dbraw/zinc/54/14/69/1037541469.db2.gz NLHYVSUKGSKSPI-GTAWCEEGSA-N 1 3 382.527 3.574 20 0 GHADHO CC(C)[C@@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246674101 1037541483 /nfs/dbraw/zinc/54/14/83/1037541483.db2.gz NLHYVSUKGSKSPI-GTAWCEEGSA-N 1 3 382.527 3.574 20 0 GHADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+]([C@@H]3CCN[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246677540 1037544028 /nfs/dbraw/zinc/54/40/28/1037544028.db2.gz VTMFRDDFVMNVLC-RBAQFSTRSA-N 1 3 396.554 3.964 20 0 GHADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+]([C@@H]3CCN[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246677540 1037544046 /nfs/dbraw/zinc/54/40/46/1037544046.db2.gz VTMFRDDFVMNVLC-RBAQFSTRSA-N 1 3 396.554 3.964 20 0 GHADHO CCOC(=O)C1(C)CCC([N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246684656 1037547736 /nfs/dbraw/zinc/54/77/36/1037547736.db2.gz MTQGPVJCWQJURY-WYVVHKHJSA-N 1 3 384.564 3.752 20 0 GHADHO CCOC(=O)C1(C)CCC([N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246684656 1037547761 /nfs/dbraw/zinc/54/77/61/1037547761.db2.gz MTQGPVJCWQJURY-WYVVHKHJSA-N 1 3 384.564 3.752 20 0 GHADHO CC[C@@H]1CC(N2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@@H](CC)[NH2+]1 ZINC001246705806 1037558722 /nfs/dbraw/zinc/55/87/22/1037558722.db2.gz BCNHWSQZVACSEE-HMFYCAOWSA-N 1 3 389.609 3.985 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246718071 1037570916 /nfs/dbraw/zinc/57/09/16/1037570916.db2.gz HRCWWLJCSWPAOR-OTNCWRBYSA-N 1 3 397.607 3.710 20 0 GHADHO CC[C@H]1[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724644 1037575821 /nfs/dbraw/zinc/57/58/21/1037575821.db2.gz WDYLTUNNVKCPDV-AWWSKVOZSA-N 1 3 375.601 3.799 20 0 GHADHO CC[C@H]1[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724644 1037575824 /nfs/dbraw/zinc/57/58/24/1037575824.db2.gz WDYLTUNNVKCPDV-AWWSKVOZSA-N 1 3 375.601 3.799 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CCN([C@H](C)CC[NH2+]C)CC2)c2ccccc21 ZINC001246753382 1037593955 /nfs/dbraw/zinc/59/39/55/1037593955.db2.gz LADIJRDIILJDSO-WOJBJXKFSA-N 1 3 385.596 3.764 20 0 GHADHO COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CCN[C@H](Cc4ccccc4)C3)C2)c1 ZINC001246783311 1037623488 /nfs/dbraw/zinc/62/34/88/1037623488.db2.gz SYTKREQRQKCVHX-ZFGGDYGUSA-N 1 3 380.532 3.902 20 0 GHADHO COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CCN[C@H](Cc4ccccc4)C3)C2)c1 ZINC001246783311 1037623499 /nfs/dbraw/zinc/62/34/99/1037623499.db2.gz SYTKREQRQKCVHX-ZFGGDYGUSA-N 1 3 380.532 3.902 20 0 GHADHO Brc1cccc([C@@H]2CN(C3CCC4(CCC[NH2+]C4)CC3)CCN2)c1 ZINC001246804355 1037637866 /nfs/dbraw/zinc/63/78/66/1037637866.db2.gz GQIVDXHHLNIWCM-GPJFCIFZSA-N 1 3 392.385 3.708 20 0 GHADHO C[C@@H]1C[C@H](N2CCCN(CCOC(c3ccccc3)c3ccccc3)CC2)C[NH2+]1 ZINC001246839319 1037669244 /nfs/dbraw/zinc/66/92/44/1037669244.db2.gz SUBREZSPTSHJOS-QPPBQGQZSA-N 1 3 393.575 3.551 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246918500 1037723000 /nfs/dbraw/zinc/72/30/00/1037723000.db2.gz KPUGZLVMECFOAB-SNHGZMDHSA-N 1 3 376.516 3.889 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246918500 1037723014 /nfs/dbraw/zinc/72/30/14/1037723014.db2.gz KPUGZLVMECFOAB-SNHGZMDHSA-N 1 3 376.516 3.889 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246918500 1037723033 /nfs/dbraw/zinc/72/30/33/1037723033.db2.gz KPUGZLVMECFOAB-SNHGZMDHSA-N 1 3 376.516 3.889 20 0 GHADHO C[C@H]1CC([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)C[C@H](C)O1 ZINC001246937838 1037741218 /nfs/dbraw/zinc/74/12/18/1037741218.db2.gz NALSCQOFPLDPHO-GJZGRUSLSA-N 1 3 381.358 3.959 20 0 GHADHO C[C@H]1CC([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)C[C@H](C)O1 ZINC001246937838 1037741235 /nfs/dbraw/zinc/74/12/35/1037741235.db2.gz NALSCQOFPLDPHO-GJZGRUSLSA-N 1 3 381.358 3.959 20 0 GHADHO COC(=O)c1cccc(CN([C@@H](C)Cc2ccc(F)cc2)C2CC[NH2+]CC2)c1 ZINC001246958423 1037773909 /nfs/dbraw/zinc/77/39/09/1037773909.db2.gz OXMDKXQYBBHNET-KRWDZBQOSA-N 1 3 384.495 3.798 20 0 GHADHO COC(=O)c1cccc(C[N@H+]([C@@H](C)Cc2ccc(F)cc2)C2CCNCC2)c1 ZINC001246958423 1037773916 /nfs/dbraw/zinc/77/39/16/1037773916.db2.gz OXMDKXQYBBHNET-KRWDZBQOSA-N 1 3 384.495 3.798 20 0 GHADHO COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2ccc(F)cc2)C2CCNCC2)c1 ZINC001246958423 1037773929 /nfs/dbraw/zinc/77/39/29/1037773929.db2.gz OXMDKXQYBBHNET-KRWDZBQOSA-N 1 3 384.495 3.798 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246958761 1037774081 /nfs/dbraw/zinc/77/40/81/1037774081.db2.gz GTPKSCHJKOVKQJ-LAUBAEHRSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246958761 1037774099 /nfs/dbraw/zinc/77/40/99/1037774099.db2.gz GTPKSCHJKOVKQJ-LAUBAEHRSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)c1cccc(CN([C@@H](C)Cc2cccc(OC)c2)C2CC[NH2+]CC2)c1 ZINC001246959760 1037776222 /nfs/dbraw/zinc/77/62/22/1037776222.db2.gz SJQGVSAHFKWJAO-SFHVURJKSA-N 1 3 396.531 3.667 20 0 GHADHO COC(=O)c1cccc(C[N@H+]([C@@H](C)Cc2cccc(OC)c2)C2CCNCC2)c1 ZINC001246959760 1037776240 /nfs/dbraw/zinc/77/62/40/1037776240.db2.gz SJQGVSAHFKWJAO-SFHVURJKSA-N 1 3 396.531 3.667 20 0 GHADHO COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2cccc(OC)c2)C2CCNCC2)c1 ZINC001246959760 1037776253 /nfs/dbraw/zinc/77/62/53/1037776253.db2.gz SJQGVSAHFKWJAO-SFHVURJKSA-N 1 3 396.531 3.667 20 0 GHADHO COC(=O)c1cccc(CN(C2CC[NH2+]CC2)[C@H]2CCc3cccc(F)c3C2)c1 ZINC001246960392 1037776398 /nfs/dbraw/zinc/77/63/98/1037776398.db2.gz VJALKPSRBVPQDQ-NRFANRHFSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)[C@H]2CCc3cccc(F)c3C2)c1 ZINC001246960392 1037776423 /nfs/dbraw/zinc/77/64/23/1037776423.db2.gz VJALKPSRBVPQDQ-NRFANRHFSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)[C@H]2CCc3cccc(F)c3C2)c1 ZINC001246960392 1037776443 /nfs/dbraw/zinc/77/64/43/1037776443.db2.gz VJALKPSRBVPQDQ-NRFANRHFSA-N 1 3 396.506 3.724 20 0 GHADHO CCOC(=O)N1CCC[C@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246960179 1037780622 /nfs/dbraw/zinc/78/06/22/1037780622.db2.gz ALUCPBRESKLWBC-FQEVSTJZSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246960179 1037780634 /nfs/dbraw/zinc/78/06/34/1037780634.db2.gz ALUCPBRESKLWBC-FQEVSTJZSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@H](N(Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001246960179 1037780658 /nfs/dbraw/zinc/78/06/58/1037780658.db2.gz ALUCPBRESKLWBC-FQEVSTJZSA-N 1 3 391.531 3.699 20 0 GHADHO CC(C)(C)[C@H]1C[C@H](N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246998392 1037823017 /nfs/dbraw/zinc/82/30/17/1037823017.db2.gz FTZXZRCROBFFEJ-WOJBJXKFSA-N 1 3 391.987 3.835 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H](N2CC[C@@H](N3CCCCC3)[C@@H](F)C2)CC[NH2+]1 ZINC001247014456 1037837713 /nfs/dbraw/zinc/83/77/13/1037837713.db2.gz DBBJABWDPIUVOA-FVTFTPSCSA-N 1 3 377.523 3.826 20 0 GHADHO COc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1-n1ccnc1 ZINC001234075094 1039812074 /nfs/dbraw/zinc/81/20/74/1039812074.db2.gz GPRUVCXASSQGBO-JOCHJYFZSA-N 1 3 390.531 3.835 20 0 GHADHO COc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1-n1ccnc1 ZINC001234075094 1039812095 /nfs/dbraw/zinc/81/20/95/1039812095.db2.gz GPRUVCXASSQGBO-JOCHJYFZSA-N 1 3 390.531 3.835 20 0 GHADHO COc1cc(CN(C)C)cc(F)c1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001234242821 1039936587 /nfs/dbraw/zinc/93/65/87/1039936587.db2.gz DBIGCSWWYMPAGQ-UHFFFAOYSA-N 1 3 386.511 3.982 20 0 GHADHO C[N@H+](Cc1cccc2cccnc21)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038805 1039968839 /nfs/dbraw/zinc/96/88/39/1039968839.db2.gz OECYJRNHHRJDLS-UHFFFAOYSA-N 1 3 375.516 3.694 20 0 GHADHO C[N@@H+](Cc1cccc2cccnc21)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038805 1039968841 /nfs/dbraw/zinc/96/88/41/1039968841.db2.gz OECYJRNHHRJDLS-UHFFFAOYSA-N 1 3 375.516 3.694 20 0 GHADHO OC1(C[NH2+]Cc2cc3cc(Cl)ccc3[nH]2)CCN(Cc2ccccc2)CC1 ZINC001254048404 1039974643 /nfs/dbraw/zinc/97/46/43/1039974643.db2.gz MGENMCRFNIZCGJ-UHFFFAOYSA-N 1 3 383.923 3.938 20 0 GHADHO OC1(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)CCN(Cc2ccccc2)CC1 ZINC001254055348 1039978225 /nfs/dbraw/zinc/97/82/25/1039978225.db2.gz OYWNIQPMEUORSU-QFIPXVFZSA-N 1 3 386.486 3.959 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+](CCCc1ccccc1OC)CC2 ZINC001235019840 1040511534 /nfs/dbraw/zinc/51/15/34/1040511534.db2.gz PAHCUGGQVFLZBO-UHFFFAOYSA-N 1 3 380.532 3.773 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+](CCCc1ccccc1OC)CC2 ZINC001235019840 1040511555 /nfs/dbraw/zinc/51/15/55/1040511555.db2.gz PAHCUGGQVFLZBO-UHFFFAOYSA-N 1 3 380.532 3.773 20 0 GHADHO C[NH+]1CCC2(CCN(Cc3ccc(-n4ccnc4)c(Br)c3)C2)CC1 ZINC001235034609 1040527614 /nfs/dbraw/zinc/52/76/14/1040527614.db2.gz QDZIJDRTZAQSPE-UHFFFAOYSA-N 1 3 389.341 3.553 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH+]1CCC(N3CCCCC3)CC1)C2 ZINC001254773005 1040534120 /nfs/dbraw/zinc/53/41/20/1040534120.db2.gz HLESFLVTCVMHDA-LJQANCHMSA-N 1 3 377.573 3.726 20 0 GHADHO COC(=O)CCN[C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255070215 1040764945 /nfs/dbraw/zinc/76/49/45/1040764945.db2.gz UKLXOELVQWGRKS-JBRSBNLGSA-N 1 3 392.543 3.904 20 0 GHADHO COC(=O)CCN[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255070215 1040764955 /nfs/dbraw/zinc/76/49/55/1040764955.db2.gz UKLXOELVQWGRKS-JBRSBNLGSA-N 1 3 392.543 3.904 20 0 GHADHO Cc1cnc(O[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)nc1 ZINC001255148834 1040863381 /nfs/dbraw/zinc/86/33/81/1040863381.db2.gz CFGDZRYULWPDKG-WZYRSQIMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cnc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)nc1 ZINC001255148834 1040863396 /nfs/dbraw/zinc/86/33/96/1040863396.db2.gz CFGDZRYULWPDKG-WZYRSQIMSA-N 1 3 392.547 3.824 20 0 GHADHO c1ccc([C@]23CC[NH2+]C[C@@H]2CN(Cc2ccc(-c4cnccn4)cc2)CC3)cc1 ZINC001235368637 1040867117 /nfs/dbraw/zinc/86/71/17/1040867117.db2.gz KFJUDNJMFVPLMM-ILBGXUMGSA-N 1 3 384.527 3.897 20 0 GHADHO Cc1ccnc(O[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)n1 ZINC001255149735 1040868585 /nfs/dbraw/zinc/86/85/85/1040868585.db2.gz MZZGCWJEDFJWNH-AFXVXQJMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1ccnc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)n1 ZINC001255149735 1040868598 /nfs/dbraw/zinc/86/85/98/1040868598.db2.gz MZZGCWJEDFJWNH-AFXVXQJMSA-N 1 3 392.547 3.824 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]13)C2 ZINC001255187262 1040893231 /nfs/dbraw/zinc/89/32/31/1040893231.db2.gz CCSVNMSLUXRPSP-IROFBDHCSA-N 1 3 397.563 3.639 20 0 GHADHO COc1c(C)cc(Br)cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431200 1040931844 /nfs/dbraw/zinc/93/18/44/1040931844.db2.gz MQBNVSHHCRNTDR-JKSUJKDBSA-N 1 3 381.358 3.978 20 0 GHADHO Brc1ccc2oc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433194 1040934493 /nfs/dbraw/zinc/93/44/93/1040934493.db2.gz XUTGIRHEHRRPAC-KBPBESRZSA-N 1 3 378.314 3.802 20 0 GHADHO COC(=O)C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389663 1040978118 /nfs/dbraw/zinc/97/81/18/1040978118.db2.gz PDLGQKMDRVFPSF-IFMALSPDSA-N 1 3 382.504 3.641 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3[C@@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659195 1041108296 /nfs/dbraw/zinc/10/82/96/1041108296.db2.gz CXVXJEUNYACOAU-JMMIECQRSA-N 1 3 377.523 3.588 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3[C@@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659195 1041108320 /nfs/dbraw/zinc/10/83/20/1041108320.db2.gz CXVXJEUNYACOAU-JMMIECQRSA-N 1 3 377.523 3.588 20 0 GHADHO Brc1ccc2c(c1)n[nH]c2CN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235705911 1041186557 /nfs/dbraw/zinc/18/65/57/1041186557.db2.gz OMDKEXMQGGKIDA-UHFFFAOYSA-N 1 3 377.330 3.537 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C[C@H]21 ZINC001255680554 1041211630 /nfs/dbraw/zinc/21/16/30/1041211630.db2.gz ZNDUINNQBYODKM-AFLWKGAOSA-N 1 3 382.596 3.629 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C[C@H]21 ZINC001255680554 1041211640 /nfs/dbraw/zinc/21/16/40/1041211640.db2.gz ZNDUINNQBYODKM-AFLWKGAOSA-N 1 3 382.596 3.629 20 0 GHADHO O=C1N[C@@H](c2ccc(-c3cccc(CN4CCCCC4)c3F)cc2)CC12C[NH2+]C2 ZINC001236010483 1041503361 /nfs/dbraw/zinc/50/33/61/1041503361.db2.gz ASLBUSYWGJZICH-OAQYLSRUSA-N 1 3 393.506 3.629 20 0 GHADHO O=C(Cc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1)OCc1ccccc1 ZINC001256069561 1041505705 /nfs/dbraw/zinc/50/57/05/1041505705.db2.gz HBVPCRWEWYPINH-UHFFFAOYSA-N 1 3 378.516 3.689 20 0 GHADHO Fc1c(CN2CCCCC2)cccc1-c1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1 ZINC001236022393 1041511422 /nfs/dbraw/zinc/51/14/22/1041511422.db2.gz YGYARWMCCVXACJ-MRXNPFEDSA-N 1 3 379.483 3.598 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256461179 1041742669 /nfs/dbraw/zinc/74/26/69/1041742669.db2.gz IARZOAIBHLXRLE-WSTZPKSXSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256461179 1041742675 /nfs/dbraw/zinc/74/26/75/1041742675.db2.gz IARZOAIBHLXRLE-WSTZPKSXSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256461179 1041742682 /nfs/dbraw/zinc/74/26/82/1041742682.db2.gz IARZOAIBHLXRLE-WSTZPKSXSA-N 1 3 375.557 3.871 20 0 GHADHO COc1cc(Br)c(CN(CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1O ZINC001236552934 1041759690 /nfs/dbraw/zinc/75/96/90/1041759690.db2.gz KXGANKFVNFDURB-SHTZXODSSA-N 1 3 383.330 3.645 20 0 GHADHO COc1ccc(CN(Cc2cc(C)c(OC)nc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236551225 1041759836 /nfs/dbraw/zinc/75/98/36/1041759836.db2.gz CSODQNALUZDBJM-MXVIHJGJSA-N 1 3 399.535 3.688 20 0 GHADHO [NH3+][C@H]1CCN(C2CCN(Cc3ccc(-c4ccccc4C(F)(F)F)o3)CC2)C1 ZINC001236616529 1041783458 /nfs/dbraw/zinc/78/34/58/1041783458.db2.gz PDDXENACPUJRBC-HNNXBMFYSA-N 1 3 393.453 3.963 20 0 GHADHO Cc1ccc(OCc2ccccc2)c(CN2CCC(N3CC[C@H]([NH3+])C3)CC2)c1 ZINC001236622607 1041788533 /nfs/dbraw/zinc/78/85/33/1041788533.db2.gz QZXLMLBQHXKCHV-QFIPXVFZSA-N 1 3 379.548 3.571 20 0 GHADHO COc1ccccc1CN(Cc1ccc(OC(F)F)nc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711001 1041848307 /nfs/dbraw/zinc/84/83/07/1041848307.db2.gz KMYFKOCVEBGUGS-IYARVYRRSA-N 1 3 391.462 3.964 20 0 GHADHO CCOC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3Cl)o2)CCC12C[NH2+]C2 ZINC001237431680 1042205561 /nfs/dbraw/zinc/20/55/61/1042205561.db2.gz TXZCJFZTYPBGIY-QGZVFWFLSA-N 1 3 388.895 3.575 20 0 GHADHO COC(=O)Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC001237487419 1042230821 /nfs/dbraw/zinc/23/08/21/1042230821.db2.gz FDCCJVOUVBWRCE-VWLOTQADSA-N 1 3 392.543 3.890 20 0 GHADHO COC(=O)Cc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC001237487419 1042230829 /nfs/dbraw/zinc/23/08/29/1042230829.db2.gz FDCCJVOUVBWRCE-VWLOTQADSA-N 1 3 392.543 3.890 20 0 GHADHO CCc1ncc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001237826675 1042388672 /nfs/dbraw/zinc/38/86/72/1042388672.db2.gz XHJPEQLTKMGPKA-IBGZPJMESA-N 1 3 385.577 3.961 20 0 GHADHO CCc1ncc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001237826675 1042388679 /nfs/dbraw/zinc/38/86/79/1042388679.db2.gz XHJPEQLTKMGPKA-IBGZPJMESA-N 1 3 385.577 3.961 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@H+]3C[C@@H]4[C@@H](CNC(=O)OC(C)(C)C)[C@@H]4C3)cc21 ZINC001237881267 1042407536 /nfs/dbraw/zinc/40/75/36/1042407536.db2.gz PSVYOIJJRPMRDN-MZADTFQBSA-N 1 3 397.563 3.890 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@@H+]3C[C@@H]4[C@@H](CNC(=O)OC(C)(C)C)[C@@H]4C3)cc21 ZINC001237881267 1042407539 /nfs/dbraw/zinc/40/75/39/1042407539.db2.gz PSVYOIJJRPMRDN-MZADTFQBSA-N 1 3 397.563 3.890 20 0 GHADHO CN1CCN(C2(c3ccc(-c4cc(C[NH+]5CCCCC5)ccn4)cc3)CC2)CC1 ZINC001240572659 1042941684 /nfs/dbraw/zinc/94/16/84/1042941684.db2.gz JHTAJWQSCRKZCI-UHFFFAOYSA-N 1 3 390.575 3.971 20 0 GHADHO CN1CCN(C2(c3ccc(-c4cnc5[nH]cc(C[NH+](C)C)c5c4)cc3)CC2)CC1 ZINC001240590334 1042944634 /nfs/dbraw/zinc/94/46/34/1042944634.db2.gz KSPVJLKULICEKB-UHFFFAOYSA-N 1 3 389.547 3.528 20 0 GHADHO CC(C)(C)OC(=O)NC1([C@H]2CN(C3CC[NH+](C(C)(C)C)CC3)C[C@@H]2CF)CC1 ZINC001256569962 1043542472 /nfs/dbraw/zinc/54/24/72/1043542472.db2.gz UGLASSBJCMSQAZ-WMZOPIPTSA-N 1 3 397.579 3.824 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](C3CCN(C(C)(C)C)CC3)C2)C1 ZINC001256569456 1043542720 /nfs/dbraw/zinc/54/27/20/1043542720.db2.gz GFRZECUKOUUEBR-GCJKJVERSA-N 1 3 397.579 3.920 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](C3CCN(C(C)(C)C)CC3)C2)C1 ZINC001256569456 1043542724 /nfs/dbraw/zinc/54/27/24/1043542724.db2.gz GFRZECUKOUUEBR-GCJKJVERSA-N 1 3 397.579 3.920 20 0 GHADHO COc1ccc(-c2nc(C[NH2+]C3CCC(N4CCOCC4)CC3)cs2)cc1 ZINC001256679233 1043616289 /nfs/dbraw/zinc/61/62/89/1043616289.db2.gz GTTKRUAETFWQCL-UHFFFAOYSA-N 1 3 387.549 3.552 20 0 GHADHO Clc1c(Br)cccc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683440 1043619658 /nfs/dbraw/zinc/61/96/58/1043619658.db2.gz CALGIMPXJDWBRG-UHFFFAOYSA-N 1 3 387.749 3.836 20 0 GHADHO COC(=O)CC1CCC([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001256979354 1043781355 /nfs/dbraw/zinc/78/13/55/1043781355.db2.gz PMUILXCVKCPKQP-UHFFFAOYSA-N 1 3 376.516 3.749 20 0 GHADHO Brc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)ccn1 ZINC001278981218 1043781842 /nfs/dbraw/zinc/78/18/42/1043781842.db2.gz RWDCFGMJVFAVRL-CALCHBBNSA-N 1 3 389.341 3.516 20 0 GHADHO Brc1cc(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)ccn1 ZINC001278981218 1043781850 /nfs/dbraw/zinc/78/18/50/1043781850.db2.gz RWDCFGMJVFAVRL-CALCHBBNSA-N 1 3 389.341 3.516 20 0 GHADHO CCC[NH+](CCC)CCN1CCN([C@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258409363 1044546151 /nfs/dbraw/zinc/54/61/51/1044546151.db2.gz SYXVHFYIAMQGRQ-OAQYLSRUSA-N 1 3 375.601 3.756 20 0 GHADHO COC1CCN(C2CC[NH+](C3CCN(c4ccccc4Cl)CC3)CC2)CC1 ZINC001258546409 1044623283 /nfs/dbraw/zinc/62/32/83/1044623283.db2.gz LXJIQMHPLCWBHN-UHFFFAOYSA-N 1 3 391.987 3.884 20 0 GHADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)C[C@@H]3CCCCN3Cc3ccccc3)C[N@@H+]2C1 ZINC001303171512 1047303372 /nfs/dbraw/zinc/30/33/72/1047303372.db2.gz VTUKUBGEKNNRON-SWUCNREESA-N 1 3 383.580 3.620 20 0 GHADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)C[C@@H]3CCCCN3Cc3ccccc3)C[N@H+]2C1 ZINC001303171512 1047303388 /nfs/dbraw/zinc/30/33/88/1047303388.db2.gz VTUKUBGEKNNRON-SWUCNREESA-N 1 3 383.580 3.620 20 0 GHADHO COc1cc(Cl)ccc1CN1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279609474 1047866514 /nfs/dbraw/zinc/86/65/14/1047866514.db2.gz BKDPAQBGBXTTHU-OAQYLSRUSA-N 1 3 379.976 3.588 20 0 GHADHO Cc1ncsc1CN1CCC[C@@]2(CCC[N@H+](CCN3CCCCC3)C2)C1 ZINC001280262163 1048150561 /nfs/dbraw/zinc/15/05/61/1048150561.db2.gz LRDYZFORZMICLD-OAQYLSRUSA-N 1 3 376.614 3.615 20 0 GHADHO Cc1ncsc1CN1CCC[C@@]2(CCC[N@@H+](CCN3CCCCC3)C2)C1 ZINC001280262163 1048150576 /nfs/dbraw/zinc/15/05/76/1048150576.db2.gz LRDYZFORZMICLD-OAQYLSRUSA-N 1 3 376.614 3.615 20 0 GHADHO CCCC[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306685572 1048812653 /nfs/dbraw/zinc/81/26/53/1048812653.db2.gz GVCYORJYJBAXBG-RTBURBONSA-N 1 3 392.636 3.518 20 0 GHADHO CCCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306685572 1048812664 /nfs/dbraw/zinc/81/26/64/1048812664.db2.gz GVCYORJYJBAXBG-RTBURBONSA-N 1 3 392.636 3.518 20 0 GHADHO C[NH+](C)CCOc1ccccc1N1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC001307556340 1049398580 /nfs/dbraw/zinc/39/85/80/1049398580.db2.gz XXTXXTRHPZFMNB-JOCHJYFZSA-N 1 3 379.548 3.827 20 0 GHADHO Cc1cc(C)c(NC(=O)CCCN2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(C)c1 ZINC001308089224 1049835740 /nfs/dbraw/zinc/83/57/40/1049835740.db2.gz LEXOLXDYNNWYTC-FQEVSTJZSA-N 1 3 380.536 3.936 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001308617420 1050034664 /nfs/dbraw/zinc/03/46/64/1050034664.db2.gz DAKUYVGQAYRUDT-SLFFLAALSA-N 1 3 379.589 3.878 20 0 GHADHO C[N@H+](CCOc1cccc(CNCc2cccn2C2CC2)c1)C1CCOCC1 ZINC001331897940 1051404134 /nfs/dbraw/zinc/40/41/34/1051404134.db2.gz MBIZLOSUUTUIGW-UHFFFAOYSA-N 1 3 383.536 3.602 20 0 GHADHO C[N@@H+](CCOc1cccc(CNCc2cccn2C2CC2)c1)C1CCOCC1 ZINC001331897940 1051404151 /nfs/dbraw/zinc/40/41/51/1051404151.db2.gz MBIZLOSUUTUIGW-UHFFFAOYSA-N 1 3 383.536 3.602 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001311400786 1052101438 /nfs/dbraw/zinc/10/14/38/1052101438.db2.gz SXUHZAKZJRZSTA-JTVPBKEVSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001311400786 1052101454 /nfs/dbraw/zinc/10/14/54/1052101454.db2.gz SXUHZAKZJRZSTA-JTVPBKEVSA-N 1 3 392.632 3.649 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NCCC(=O)Nc1ccccc1F)c1ccccc1O2 ZINC001335932975 1052203922 /nfs/dbraw/zinc/20/39/22/1052203922.db2.gz ALCSHKUVSZBHKI-FQEVSTJZSA-N 1 3 397.494 3.732 20 0 GHADHO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H](c1ccccc1)N(C)C ZINC001312662703 1052830026 /nfs/dbraw/zinc/83/00/26/1052830026.db2.gz XMKRTSKZNHMFBJ-NYVOZVTQSA-N 1 3 386.584 3.774 20 0 GHADHO C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H](c1ccccc1)N(C)C ZINC001312662703 1052830031 /nfs/dbraw/zinc/83/00/31/1052830031.db2.gz XMKRTSKZNHMFBJ-NYVOZVTQSA-N 1 3 386.584 3.774 20 0 GHADHO CC(C)(C)[NH2+]CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001318208975 1054500864 /nfs/dbraw/zinc/50/08/64/1054500864.db2.gz XZDUQSPZNXMUHH-UHFFFAOYSA-N 1 3 386.367 3.806 20 0 GHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001319393518 1055224372 /nfs/dbraw/zinc/22/43/72/1055224372.db2.gz LWPOYQJFYNIXJS-HOYKHHGWSA-N 1 3 381.539 3.986 20 0 GHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001200822164 1056990572 /nfs/dbraw/zinc/99/05/72/1056990572.db2.gz RWAPLRNUZKSBAI-UXHICEINSA-N 1 3 387.568 3.942 20 0 GHADHO [NH2+]=C(NCc1cc(-c2ccccc2)on1)NC1CCN(Cc2ccccc2)CC1 ZINC000849064204 1057575407 /nfs/dbraw/zinc/57/54/07/1057575407.db2.gz FPFAJVQVRQWRDU-UHFFFAOYSA-N 1 3 389.503 3.620 20 0 GHADHO CCc1ccc(NC(=[NH2+])NCCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000849069788 1057580096 /nfs/dbraw/zinc/58/00/96/1057580096.db2.gz RBJLCTMNJGDUNH-UHFFFAOYSA-N 1 3 393.579 3.783 20 0 GHADHO CC(C)(C)Oc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000849077538 1057583790 /nfs/dbraw/zinc/58/37/90/1057583790.db2.gz DHKATQRHUXEBMA-UHFFFAOYSA-N 1 3 395.551 3.537 20 0 GHADHO [NH2+]=C(NCCCN1CCc2ccccc2C1)NCc1cccc(C(F)(F)F)c1 ZINC000849091050 1057591074 /nfs/dbraw/zinc/59/10/74/1057591074.db2.gz DZASVOTURNJIRD-UHFFFAOYSA-N 1 3 390.453 3.768 20 0 GHADHO COc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000849096395 1057592728 /nfs/dbraw/zinc/59/27/28/1057592728.db2.gz ZNJBMYXPLSWUQR-UHFFFAOYSA-N 1 3 386.927 3.627 20 0 GHADHO Cc1nc(N2CCCCC2)sc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001327199745 1057620437 /nfs/dbraw/zinc/62/04/37/1057620437.db2.gz NSZMMPBYZRRKBD-UHFFFAOYSA-N 1 3 399.608 3.839 20 0 GHADHO O[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001338468282 1058583832 /nfs/dbraw/zinc/58/38/32/1058583832.db2.gz QSCPKFWVEDLIQC-HXUWFJFHSA-N 1 3 393.453 3.636 20 0 GHADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001463763045 1064595514 /nfs/dbraw/zinc/59/55/14/1064595514.db2.gz NYSYISBFHIKDJX-RPWUZVMVSA-N 1 3 393.575 3.880 20 0 GHADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001463763045 1064595531 /nfs/dbraw/zinc/59/55/31/1064595531.db2.gz NYSYISBFHIKDJX-RPWUZVMVSA-N 1 3 393.575 3.880 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC=C(c4ccc(C)cc4)CC3)CC2)CC1 ZINC000847306803 1065021446 /nfs/dbraw/zinc/02/14/46/1065021446.db2.gz OLNKHMCPDMOJQX-UHFFFAOYSA-N 1 3 395.591 3.807 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4sc(C)nc4c3)CC2)CC1 ZINC000847698692 1065947015 /nfs/dbraw/zinc/94/70/15/1065947015.db2.gz GEBNABINNXPGAX-UHFFFAOYSA-N 1 3 386.565 3.740 20 0 GHADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001477615108 1078492531 /nfs/dbraw/zinc/49/25/31/1078492531.db2.gz KRFYWGVIWVCNBL-IFMALSPDSA-N 1 3 386.584 3.729 20 0 GHADHO CC(C)N1CCN(CCC[N@H+](C)CCOc2ccccc2C(C)(C)C)CC1 ZINC001473432653 1067559005 /nfs/dbraw/zinc/55/90/05/1067559005.db2.gz VUODWEFAOROWPF-UHFFFAOYSA-N 1 3 375.601 3.711 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+](C)CCOc2ccccc2C(C)(C)C)CC1 ZINC001473432653 1067559014 /nfs/dbraw/zinc/55/90/14/1067559014.db2.gz VUODWEFAOROWPF-UHFFFAOYSA-N 1 3 375.601 3.711 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468020643 1067569180 /nfs/dbraw/zinc/56/91/80/1067569180.db2.gz SNNVADCDQYCAIL-AUSIDOKSSA-N 1 3 396.579 3.671 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468020643 1067569185 /nfs/dbraw/zinc/56/91/85/1067569185.db2.gz SNNVADCDQYCAIL-AUSIDOKSSA-N 1 3 396.579 3.671 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)[NH+]2CCCC2)cc1 ZINC001468387244 1067713264 /nfs/dbraw/zinc/71/32/64/1067713264.db2.gz AFODIWGJPSEFRF-HSZRJFAPSA-N 1 3 398.595 3.792 20 0 GHADHO CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001470854741 1072772975 /nfs/dbraw/zinc/77/29/75/1072772975.db2.gz NDBMTNOCFOPSKJ-JTHBVZDNSA-N 1 3 398.595 3.699 20 0 GHADHO CCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001470854741 1072772978 /nfs/dbraw/zinc/77/29/78/1072772978.db2.gz NDBMTNOCFOPSKJ-JTHBVZDNSA-N 1 3 398.595 3.699 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC001471108511 1072925438 /nfs/dbraw/zinc/92/54/38/1072925438.db2.gz IPTODLWJHANFCT-GOTSBHOMSA-N 1 3 398.595 3.701 20 0 GHADHO CC[N@H+](CCCNC(=O)N1CCN(C2CCC(C)CC2)CC1)C1CCCCC1 ZINC001478928609 1079029899 /nfs/dbraw/zinc/02/98/99/1079029899.db2.gz YUNLWOAQPNELHK-UHFFFAOYSA-N 1 3 392.632 3.937 20 0 GHADHO CC[N@@H+](CCCNC(=O)N1CCN(C2CCC(C)CC2)CC1)C1CCCCC1 ZINC001478928609 1079029907 /nfs/dbraw/zinc/02/99/07/1079029907.db2.gz YUNLWOAQPNELHK-UHFFFAOYSA-N 1 3 392.632 3.937 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c(C)ccc4cnccc43)CC2)CC1 ZINC001472462645 1073499644 /nfs/dbraw/zinc/49/96/44/1073499644.db2.gz PJKMINZNXGLMQI-UHFFFAOYSA-N 1 3 380.536 3.678 20 0 GHADHO CC(C)N(C)c1ccc(NC(=O)CCN(C)C2CC[NH+](C(C)C)CC2)cc1F ZINC001473139419 1073802306 /nfs/dbraw/zinc/80/23/06/1073802306.db2.gz GVKCVJLRMGSYTQ-UHFFFAOYSA-N 1 3 392.563 3.804 20 0 GHADHO FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807502 1074153671 /nfs/dbraw/zinc/15/36/71/1074153671.db2.gz PCYXBIQCRZRKKO-WCIQWLHISA-N 1 3 382.470 3.940 20 0 GHADHO FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807502 1074153672 /nfs/dbraw/zinc/15/36/72/1074153672.db2.gz PCYXBIQCRZRKKO-WCIQWLHISA-N 1 3 382.470 3.940 20 0 GHADHO Cc1cc(CNCc2ccccc2C[NH+]2CCCCC2)ccc1-n1cncn1 ZINC001473915603 1074201711 /nfs/dbraw/zinc/20/17/11/1074201711.db2.gz GJEQAQQTNUOUCC-UHFFFAOYSA-N 1 3 375.520 3.851 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3ccc(-n4cncn4)c(F)c3)cc2)C1 ZINC001473931530 1074208718 /nfs/dbraw/zinc/20/87/18/1074208718.db2.gz LHPFNBOKURACMQ-SFHVURJKSA-N 1 3 393.510 3.928 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc(-n4cncn4)c(F)c3)cc2)C1 ZINC001473931530 1074208721 /nfs/dbraw/zinc/20/87/21/1074208721.db2.gz LHPFNBOKURACMQ-SFHVURJKSA-N 1 3 393.510 3.928 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cc(C)c4ncccc4c3)cc2)CC1 ZINC001473936375 1074211549 /nfs/dbraw/zinc/21/15/49/1074211549.db2.gz SSIRKFJXERMCHP-UHFFFAOYSA-N 1 3 388.559 3.971 20 0 GHADHO Clc1cc(C[NH2+]C2CCN(C3CCC3)CC2)ccc1OCCn1ccnc1 ZINC001473960490 1074218366 /nfs/dbraw/zinc/21/83/66/1074218366.db2.gz CWNZYHHAIVBLCD-UHFFFAOYSA-N 1 3 388.943 3.722 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc(OC(F)F)c1 ZINC001474084458 1074258286 /nfs/dbraw/zinc/25/82/86/1074258286.db2.gz KNXMAAGFUQJOSK-IBGZPJMESA-N 1 3 376.447 3.535 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc(OC(F)F)c1 ZINC001474084458 1074258290 /nfs/dbraw/zinc/25/82/90/1074258290.db2.gz KNXMAAGFUQJOSK-IBGZPJMESA-N 1 3 376.447 3.535 20 0 GHADHO C/C(=C\c1ccccc1C(F)(F)F)CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC001474098975 1074263225 /nfs/dbraw/zinc/26/32/25/1074263225.db2.gz XWDUAHBDCIOCEK-XAVZPLJISA-N 1 3 399.501 3.791 20 0 GHADHO CC(C)COc1ccccc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001474182920 1074285814 /nfs/dbraw/zinc/28/58/14/1074285814.db2.gz CXTMVKYZVTUJDM-UHFFFAOYSA-N 1 3 382.548 3.838 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC001474235955 1074303836 /nfs/dbraw/zinc/30/38/36/1074303836.db2.gz ZZYCOPRRACJCLI-MJGOQNOKSA-N 1 3 383.502 3.761 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C2CC(Nc3ccccc3)C2)CC1 ZINC001474257680 1074311905 /nfs/dbraw/zinc/31/19/05/1074311905.db2.gz RUVQMVQPQUELFX-UHFFFAOYSA-N 1 3 378.564 3.951 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](CC)C(=O)OC(C)(C)C)CC1 ZINC001474274986 1074321175 /nfs/dbraw/zinc/32/11/75/1074321175.db2.gz LIZIWRCJDJZBSH-LJQANCHMSA-N 1 3 389.584 3.676 20 0 GHADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164725726 720472232 /nfs/dbraw/zinc/47/22/32/720472232.db2.gz JXNVAOXEQFIIKF-XPWALMASSA-N 1 3 391.563 3.877 20 0 GHADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164725726 720472233 /nfs/dbraw/zinc/47/22/33/720472233.db2.gz JXNVAOXEQFIIKF-XPWALMASSA-N 1 3 391.563 3.877 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414393243 837679905 /nfs/dbraw/zinc/67/99/05/837679905.db2.gz NLQPELAZFJDYQR-JTSKRJEESA-N 1 3 388.531 3.546 20 0 GHADHO Cc1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc(N2CCCC2)n1 ZINC000685628511 835236738 /nfs/dbraw/zinc/23/67/38/835236738.db2.gz PBNHMGYINNTISG-UHFFFAOYSA-N 1 3 394.563 3.755 20 0 GHADHO CC[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(C)ccc1OC ZINC000180997498 835250240 /nfs/dbraw/zinc/25/02/40/835250240.db2.gz VNLBCLZNPAAJKR-OAQYLSRUSA-N 1 3 383.536 3.536 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665249 835286005 /nfs/dbraw/zinc/28/60/05/835286005.db2.gz YXFAIMWZGUHPDB-FPOVZHCZSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665249 835286016 /nfs/dbraw/zinc/28/60/16/835286016.db2.gz YXFAIMWZGUHPDB-FPOVZHCZSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665249 835286022 /nfs/dbraw/zinc/28/60/22/835286022.db2.gz YXFAIMWZGUHPDB-FPOVZHCZSA-N 1 3 390.535 3.615 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4ccccc4F)CCC3)CC2)CC1 ZINC000655158082 835306932 /nfs/dbraw/zinc/30/69/32/835306932.db2.gz LJKUPAAQLSESGB-UHFFFAOYSA-N 1 3 387.543 3.517 20 0 GHADHO FCC1(CF)CC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000658024801 835376892 /nfs/dbraw/zinc/37/68/92/835376892.db2.gz WZHSPXDUIDEFLG-IBGZPJMESA-N 1 3 378.507 3.593 20 0 GHADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000658066629 835406000 /nfs/dbraw/zinc/40/60/00/835406000.db2.gz CPCUKDTWHNPYPC-OAHLLOKOSA-N 1 3 390.959 3.768 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141746 835451956 /nfs/dbraw/zinc/45/19/56/835451956.db2.gz UKYQAUQOGXOQBC-CTNGQTDRSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141746 835451958 /nfs/dbraw/zinc/45/19/58/835451958.db2.gz UKYQAUQOGXOQBC-CTNGQTDRSA-N 1 3 386.923 3.910 20 0 GHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658139480 835465631 /nfs/dbraw/zinc/46/56/31/835465631.db2.gz LUAXWGRDXXUNBK-JTHBVZDNSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658139480 835465633 /nfs/dbraw/zinc/46/56/33/835465633.db2.gz LUAXWGRDXXUNBK-JTHBVZDNSA-N 1 3 380.532 3.874 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1OC ZINC000658163563 835479771 /nfs/dbraw/zinc/47/97/71/835479771.db2.gz KQDDSEROWSVTLX-GOSISDBHSA-N 1 3 383.536 3.970 20 0 GHADHO COc1cccc(C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)c1 ZINC000658166320 835482177 /nfs/dbraw/zinc/48/21/77/835482177.db2.gz NSQFUOMFBAIEAX-DEOSSOPVSA-N 1 3 379.548 3.913 20 0 GHADHO CCc1cccc(C)c1NC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000274830773 835670785 /nfs/dbraw/zinc/67/07/85/835670785.db2.gz MFIYLWDNIGXZKH-UGKGYDQZSA-N 1 3 379.548 3.996 20 0 GHADHO CCc1ccc([C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000047302522 835743134 /nfs/dbraw/zinc/74/31/34/835743134.db2.gz IATJZEQEQGLEHI-DEOSSOPVSA-N 1 3 393.575 3.880 20 0 GHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000584223330 835784048 /nfs/dbraw/zinc/78/40/48/835784048.db2.gz BYUNYGXQYWWATL-HSZRJFAPSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)N(C)CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000109311830 835798173 /nfs/dbraw/zinc/79/81/73/835798173.db2.gz JPTGHIGCRXLIBK-UHFFFAOYSA-N 1 3 379.548 3.906 20 0 GHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CCCC2)CC1 ZINC000569770063 836049544 /nfs/dbraw/zinc/04/95/44/836049544.db2.gz TZEWLNAIQWMVNV-HXUWFJFHSA-N 1 3 383.580 3.812 20 0 GHADHO C[C@@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000413753262 836250436 /nfs/dbraw/zinc/25/04/36/836250436.db2.gz DQSIJDUKTJKZGC-OTWHNJEPSA-N 1 3 386.584 3.664 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000109456848 836252237 /nfs/dbraw/zinc/25/22/37/836252237.db2.gz JAISLOCNENVASQ-HUVFLSCGSA-N 1 3 391.559 3.850 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000109456848 836252247 /nfs/dbraw/zinc/25/22/47/836252247.db2.gz JAISLOCNENVASQ-HUVFLSCGSA-N 1 3 391.559 3.850 20 0 GHADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000275115752 836301315 /nfs/dbraw/zinc/30/13/15/836301315.db2.gz YXVQVKLYSFMRBR-ICSRJNTNSA-N 1 3 397.567 3.744 20 0 GHADHO Fc1ccc(CC[NH+]2CCC(NCc3ccccc3Cn3cccn3)CC2)cc1 ZINC000119253189 836822443 /nfs/dbraw/zinc/82/24/43/836822443.db2.gz NZVIITVBTDJZDY-UHFFFAOYSA-N 1 3 392.522 3.867 20 0 GHADHO CC1CCN([C@@H](C[NH2+]Cc2ncc(CN(C)C)s2)c2cccs2)CC1 ZINC000510251500 837018282 /nfs/dbraw/zinc/01/82/82/837018282.db2.gz CIUDUTYMGRVHTI-KRWDZBQOSA-N 1 3 378.611 3.829 20 0 GHADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCCO2 ZINC000414313578 837052512 /nfs/dbraw/zinc/05/25/12/837052512.db2.gz YQRSAUSZGQHBTD-JOCHJYFZSA-N 1 3 380.532 3.825 20 0 GHADHO CSc1ccc([C@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414323665 837124050 /nfs/dbraw/zinc/12/40/50/837124050.db2.gz JJJYOZKWAIUXDR-KRWDZBQOSA-N 1 3 397.588 3.957 20 0 GHADHO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000655831862 837997669 /nfs/dbraw/zinc/99/76/69/837997669.db2.gz MCIWMLPPKSJJLJ-YMPZKCBVSA-N 1 3 397.607 3.914 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893967589 844294489 /nfs/dbraw/zinc/29/44/89/844294489.db2.gz PHUVISUBPMLKQF-MRXNPFEDSA-N 1 3 377.520 3.587 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893967589 844294502 /nfs/dbraw/zinc/29/45/02/844294502.db2.gz PHUVISUBPMLKQF-MRXNPFEDSA-N 1 3 377.520 3.587 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415919583 838271086 /nfs/dbraw/zinc/27/10/86/838271086.db2.gz NLXZUMXKZUSTDF-OAQYLSRUSA-N 1 3 380.536 3.924 20 0 GHADHO CN1CC[C@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000415973081 838330963 /nfs/dbraw/zinc/33/09/63/838330963.db2.gz PZYYYVFIVZWQAM-ROUUACIJSA-N 1 3 392.425 3.731 20 0 GHADHO C[NH+](C)[C@@H](CC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000416220195 838746644 /nfs/dbraw/zinc/74/66/44/838746644.db2.gz WTRREXYELRGKPZ-ACBHZAAOSA-N 1 3 397.485 3.601 20 0 GHADHO CN(C)C(=O)c1cccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000378301868 838815312 /nfs/dbraw/zinc/81/53/12/838815312.db2.gz QLFGDRGTASKPIC-UHFFFAOYSA-N 1 3 391.559 3.877 20 0 GHADHO CN(C)C(=O)c1cccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000378301868 838815322 /nfs/dbraw/zinc/81/53/22/838815322.db2.gz QLFGDRGTASKPIC-UHFFFAOYSA-N 1 3 391.559 3.877 20 0 GHADHO CCCOc1c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cccc1OCC ZINC000415100814 839206149 /nfs/dbraw/zinc/20/61/49/839206149.db2.gz AMQSTMLIJRSGGW-PZJWPPBQSA-N 1 3 376.541 3.592 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(C)OCCc3sccc32)CC1 ZINC000580367235 839397357 /nfs/dbraw/zinc/39/73/57/839397357.db2.gz QSCFYZZALMZJQC-HSZRJFAPSA-N 1 3 399.604 3.858 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893013915 839914174 /nfs/dbraw/zinc/91/41/74/839914174.db2.gz OFAOLDZWWANVTE-JOCHJYFZSA-N 1 3 384.568 3.530 20 0 GHADHO C[NH2+]CCC1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000416840038 840207399 /nfs/dbraw/zinc/20/73/99/840207399.db2.gz KHVLGHKQVBDNCP-LJQANCHMSA-N 1 3 392.613 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)N2CCCC2)cc1 ZINC000417352874 840758179 /nfs/dbraw/zinc/75/81/79/840758179.db2.gz HKNARFATIJDVDQ-VXKWHMMOSA-N 1 3 398.595 3.552 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C)c4ccccc34)CC2)CC1 ZINC000581139695 840775268 /nfs/dbraw/zinc/77/52/68/840775268.db2.gz DYEJAFRDEAHEIK-UHFFFAOYSA-N 1 3 393.575 3.961 20 0 GHADHO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2ccccc2)cn1 ZINC000651673206 841302883 /nfs/dbraw/zinc/30/28/83/841302883.db2.gz AKLGKCPYSGRQJK-IBGZPJMESA-N 1 3 387.531 3.746 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)Cc3ccccc3C)CC2)CC1 ZINC000581676493 841994222 /nfs/dbraw/zinc/99/42/22/841994222.db2.gz ZEJWPBFUDPKTLF-HXUWFJFHSA-N 1 3 385.596 3.581 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)N1CCO[C@H]2[C@H](OCc3csc(C)n3)CC[C@@H]21 ZINC001167828393 842116754 /nfs/dbraw/zinc/11/67/54/842116754.db2.gz YDOTVBXVWCOIOT-UMSONDCASA-N 1 3 395.613 3.710 20 0 GHADHO CC(C)c1ccc(C2(O)CCC(N[C@@H]3C[NH2+]CC4(CCOCC4)C3)CC2)cc1 ZINC000925795175 842204012 /nfs/dbraw/zinc/20/40/12/842204012.db2.gz JOQHATLTPDZPKD-MHIUNMELSA-N 1 3 386.580 3.689 20 0 GHADHO CSC1(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CC1 ZINC000581782179 842215362 /nfs/dbraw/zinc/21/53/62/842215362.db2.gz PHONQGVKQBJTDY-UHFFFAOYSA-N 1 3 381.589 3.994 20 0 GHADHO C[NH+](C)CC[C@@H](c1ccc(NCCN2CCSCC2)cc1)c1ccccn1 ZINC001167836663 842328881 /nfs/dbraw/zinc/32/88/81/842328881.db2.gz BFELQEFNVRETBF-NRFANRHFSA-N 1 3 384.593 3.626 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000276677264 842504275 /nfs/dbraw/zinc/50/42/75/842504275.db2.gz SDWKFQIICCCDFU-LLVKDONJSA-N 1 3 395.263 3.575 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000178257293 861345106 /nfs/dbraw/zinc/34/51/06/861345106.db2.gz AHVHUNPAFLQWBX-AWEZNQCLSA-N 1 3 399.457 3.766 20 0 GHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(OCC(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000512181438 842802126 /nfs/dbraw/zinc/80/21/26/842802126.db2.gz BWZGQDMEIBXCQS-IAGOWNOFSA-N 1 3 382.495 3.652 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000512181438 842802131 /nfs/dbraw/zinc/80/21/31/842802131.db2.gz BWZGQDMEIBXCQS-IAGOWNOFSA-N 1 3 382.495 3.652 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512182957 842807281 /nfs/dbraw/zinc/80/72/81/842807281.db2.gz SYKQICSJZBUZBW-CALCHBBNSA-N 1 3 376.589 3.576 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512182957 842807283 /nfs/dbraw/zinc/80/72/83/842807283.db2.gz SYKQICSJZBUZBW-CALCHBBNSA-N 1 3 376.589 3.576 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)N(C)C)cc1 ZINC000548408212 843254058 /nfs/dbraw/zinc/25/40/58/843254058.db2.gz GFJWSAHJFPBFHC-HSZRJFAPSA-N 1 3 379.548 3.878 20 0 GHADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000662484483 843322399 /nfs/dbraw/zinc/32/23/99/843322399.db2.gz LFNQLUDMYDCAMY-HTAPYJJXSA-N 1 3 379.504 3.580 20 0 GHADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000662484483 843322406 /nfs/dbraw/zinc/32/24/06/843322406.db2.gz LFNQLUDMYDCAMY-HTAPYJJXSA-N 1 3 379.504 3.580 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CNC(C)(C)c2ccccc2C)CC1 ZINC000555612065 861414175 /nfs/dbraw/zinc/41/41/75/861414175.db2.gz RHNVPYJMVHGCBJ-UHFFFAOYSA-N 1 3 393.575 3.909 20 0 GHADHO C[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000604184042 843646474 /nfs/dbraw/zinc/64/64/74/843646474.db2.gz FGJAWBHDFSKCAR-IFMALSPDSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000500719479 843881597 /nfs/dbraw/zinc/88/15/97/843881597.db2.gz ZYZTYQKEWIZYED-KNQAVFIVSA-N 1 3 386.584 3.585 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(C[C@@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477935 843958437 /nfs/dbraw/zinc/95/84/37/843958437.db2.gz AQPAFYZHVJIMCT-BVAGGSTKSA-N 1 3 389.587 3.684 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(C[C@@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477935 843958442 /nfs/dbraw/zinc/95/84/42/843958442.db2.gz AQPAFYZHVJIMCT-BVAGGSTKSA-N 1 3 389.587 3.684 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CC3CCC3)c3ccccc3)CC2)CC1 ZINC000180990843 844676696 /nfs/dbraw/zinc/67/66/96/844676696.db2.gz GDACFGRXKVUZOL-QHCPKHFHSA-N 1 3 398.595 3.776 20 0 GHADHO Cc1noc(C[C@@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc2)n1 ZINC000277126131 844710245 /nfs/dbraw/zinc/71/02/45/844710245.db2.gz NZXWBSUSVFRXBU-HTAPYJJXSA-N 1 3 394.519 3.953 20 0 GHADHO O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512647356 844890924 /nfs/dbraw/zinc/89/09/24/844890924.db2.gz HPFWUNBWXXKUKP-RJGXRXQPSA-N 1 3 383.580 3.669 20 0 GHADHO COC(=O)c1cc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000179397543 861563996 /nfs/dbraw/zinc/56/39/96/861563996.db2.gz LIJNPYFSJWXJMP-UHFFFAOYSA-N 1 3 387.549 3.977 20 0 GHADHO [NH3+]C1CCN(CCCC(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)CC1 ZINC000433127327 845461054 /nfs/dbraw/zinc/46/10/54/845461054.db2.gz RUGMVOYTPYDMHE-UHFFFAOYSA-N 1 3 383.540 3.752 20 0 GHADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC(=O)N1CCc2sccc2C1 ZINC000411546525 845575128 /nfs/dbraw/zinc/57/51/28/845575128.db2.gz ASKAQFJJHIPLFS-PKOBYXMFSA-N 1 3 377.598 3.513 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000433943509 845641835 /nfs/dbraw/zinc/64/18/35/845641835.db2.gz UOBUOEJPGJSEMC-LSWJPFSZSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000433943509 845641840 /nfs/dbraw/zinc/64/18/40/845641840.db2.gz UOBUOEJPGJSEMC-LSWJPFSZSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000156977445 845778807 /nfs/dbraw/zinc/77/88/07/845778807.db2.gz IZDOHCCXRDIPOS-ROUUACIJSA-N 1 3 397.519 3.995 20 0 GHADHO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513656377 846197868 /nfs/dbraw/zinc/19/78/68/846197868.db2.gz RZTRNQGRXYOOAJ-GMKZXUHWSA-N 1 3 380.580 3.860 20 0 GHADHO CC1(C)Cc2cccc(CNCC3(O)CC[NH+](Cc4ccccc4)CC3)c2O1 ZINC000414545221 846472443 /nfs/dbraw/zinc/47/24/43/846472443.db2.gz DZGIXPAHOQOMGZ-UHFFFAOYSA-N 1 3 380.532 3.517 20 0 GHADHO Cc1ccc(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000501046189 846572639 /nfs/dbraw/zinc/57/26/39/846572639.db2.gz LNZXMAKAECNQLP-LJQANCHMSA-N 1 3 380.536 3.874 20 0 GHADHO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075650 846616743 /nfs/dbraw/zinc/61/67/43/846616743.db2.gz KNUKTZBPCPPFBS-OAHLLOKOSA-N 1 3 388.462 3.535 20 0 GHADHO COC(=O)c1cc(CNCc2ccccc2C[N@H+](C)C2CCCCC2)cn1C ZINC000582208269 846632818 /nfs/dbraw/zinc/63/28/18/846632818.db2.gz OMMNCOZOIAAVEU-UHFFFAOYSA-N 1 3 383.536 3.866 20 0 GHADHO COC(=O)c1cc(CNCc2ccccc2C[N@@H+](C)C2CCCCC2)cn1C ZINC000582208269 846632820 /nfs/dbraw/zinc/63/28/20/846632820.db2.gz OMMNCOZOIAAVEU-UHFFFAOYSA-N 1 3 383.536 3.866 20 0 GHADHO CC(C)[C@H](CNC(=O)N(CCN(C)C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000501168333 846708480 /nfs/dbraw/zinc/70/84/80/846708480.db2.gz XRTQUFCXEWDJGR-QFIPXVFZSA-N 1 3 388.600 3.516 20 0 GHADHO COCc1csc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000657383070 846764623 /nfs/dbraw/zinc/76/46/23/846764623.db2.gz VDRZYGMRHKYVNX-UHFFFAOYSA-N 1 3 379.957 3.590 20 0 GHADHO CCCCCn1nc(C)cc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582369348 846972762 /nfs/dbraw/zinc/97/27/62/846972762.db2.gz JQTILTNFPCHTOS-UHFFFAOYSA-N 1 3 389.588 3.517 20 0 GHADHO COc1ccc([C@H](C[NH3+])CN(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1 ZINC000420327282 847126071 /nfs/dbraw/zinc/12/60/71/847126071.db2.gz YCZRIVXIXCMQIF-LJQANCHMSA-N 1 3 396.510 3.831 20 0 GHADHO [NH3+]C[C@H](NCCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCCCC1 ZINC000420356961 847136927 /nfs/dbraw/zinc/13/69/27/847136927.db2.gz CZWZJNCPYLWDOH-UGKGYDQZSA-N 1 3 385.577 3.841 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000501828451 847219409 /nfs/dbraw/zinc/21/94/09/847219409.db2.gz PJLFVQKFWBKIGF-IFMALSPDSA-N 1 3 386.584 3.635 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000501828451 847219418 /nfs/dbraw/zinc/21/94/18/847219418.db2.gz PJLFVQKFWBKIGF-IFMALSPDSA-N 1 3 386.584 3.635 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000502158449 847561932 /nfs/dbraw/zinc/56/19/32/847561932.db2.gz POESXWSECYAZPU-JYRKZWEQSA-N 1 3 398.551 3.529 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000502158449 847561937 /nfs/dbraw/zinc/56/19/37/847561937.db2.gz POESXWSECYAZPU-JYRKZWEQSA-N 1 3 398.551 3.529 20 0 GHADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422726307 847800252 /nfs/dbraw/zinc/80/02/52/847800252.db2.gz DLLBXCOKMVCISD-VNTMZGSJSA-N 1 3 381.486 3.790 20 0 GHADHO CCCC(=O)Nc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422876352 847863564 /nfs/dbraw/zinc/86/35/64/847863564.db2.gz GFYYIBYLCZBYTM-REWPJTCUSA-N 1 3 379.504 3.771 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCCc4cccnc43)CC2)c1 ZINC000684954768 847883814 /nfs/dbraw/zinc/88/38/14/847883814.db2.gz YZXWQJHPPJTZFI-HSZRJFAPSA-N 1 3 378.564 3.959 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000422944002 847907132 /nfs/dbraw/zinc/90/71/32/847907132.db2.gz LWPVVOIDCLWRLB-JZOVEWSMSA-N 1 3 385.596 3.696 20 0 GHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2Nc1cccc(CN2CCSCC2)c1 ZINC000422957896 847915555 /nfs/dbraw/zinc/91/55/55/847915555.db2.gz VVQQTXSPGAAPPJ-JTHBVZDNSA-N 1 3 395.572 3.903 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC000655445707 848059115 /nfs/dbraw/zinc/05/91/15/848059115.db2.gz JHKNFMAHXAZDBW-QWFCFKBJSA-N 1 3 397.485 3.594 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(F)c(C(F)(F)F)c3)cc2)C1 ZINC000657594473 848283062 /nfs/dbraw/zinc/28/30/62/848283062.db2.gz APDHKDUOYIDSCH-KRWDZBQOSA-N 1 3 382.401 3.701 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(F)c(C(F)(F)F)c3)cc2)C1 ZINC000657594473 848283070 /nfs/dbraw/zinc/28/30/70/848283070.db2.gz APDHKDUOYIDSCH-KRWDZBQOSA-N 1 3 382.401 3.701 20 0 GHADHO C[C@@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000604178805 861935671 /nfs/dbraw/zinc/93/56/71/861935671.db2.gz FQVAEQORZWUVTH-RBBKRZOGSA-N 1 3 386.584 3.635 20 0 GHADHO CCSc1ccc([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000535988464 849559055 /nfs/dbraw/zinc/55/90/55/849559055.db2.gz FNTPJSBRJPVGJI-KRWDZBQOSA-N 1 3 385.577 3.941 20 0 GHADHO Cc1c([C@@H](C)NCCC[C@@H]2CCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000423483065 849949934 /nfs/dbraw/zinc/94/99/34/849949934.db2.gz PTOXRWMGWIKGIS-CZUORRHYSA-N 1 3 392.345 3.521 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)Nc3ccc([C@H](C)[NH3+])cc3)c(C)c2)CC1 ZINC000414756276 850024925 /nfs/dbraw/zinc/02/49/25/850024925.db2.gz VFEKOJGDFVNBLU-KRWDZBQOSA-N 1 3 381.524 3.801 20 0 GHADHO C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486828167 850147008 /nfs/dbraw/zinc/14/70/08/850147008.db2.gz VBJGYBIPDGRIOG-GHTZIAJQSA-N 1 3 380.536 3.780 20 0 GHADHO C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486828167 850147015 /nfs/dbraw/zinc/14/70/15/850147015.db2.gz VBJGYBIPDGRIOG-GHTZIAJQSA-N 1 3 380.536 3.780 20 0 GHADHO COc1ccc(-c2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1OC ZINC000424288536 850333968 /nfs/dbraw/zinc/33/39/68/850333968.db2.gz KMYIRLSGEVBWPL-HNNXBMFYSA-N 1 3 387.549 3.791 20 0 GHADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccccc1Cc1ccccc1)CC[NH2+]CC2 ZINC000424302040 850371646 /nfs/dbraw/zinc/37/16/46/850371646.db2.gz YUESZZBTWQJQTQ-LJQANCHMSA-N 1 3 377.532 3.680 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000515301946 850892203 /nfs/dbraw/zinc/89/22/03/850892203.db2.gz VUSFQRYDNGAKSX-WMZHIEFXSA-N 1 3 391.559 3.794 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1)c1ccsc1 ZINC000487857338 850937304 /nfs/dbraw/zinc/93/73/04/850937304.db2.gz JOTJCDIVJHZXKI-PIKOESSRSA-N 1 3 392.613 3.503 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1)c1ccsc1 ZINC000487857338 850937313 /nfs/dbraw/zinc/93/73/13/850937313.db2.gz JOTJCDIVJHZXKI-PIKOESSRSA-N 1 3 392.613 3.503 20 0 GHADHO CCCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000514198115 851364784 /nfs/dbraw/zinc/36/47/84/851364784.db2.gz ZADLAIQYRHNNLN-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)c1ccsc1 ZINC000514224893 851418983 /nfs/dbraw/zinc/41/89/83/851418983.db2.gz IRVZHZZNHODTAI-IBGZPJMESA-N 1 3 380.602 3.695 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccsc1 ZINC000514224893 851418989 /nfs/dbraw/zinc/41/89/89/851418989.db2.gz IRVZHZZNHODTAI-IBGZPJMESA-N 1 3 380.602 3.695 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436313722 851446895 /nfs/dbraw/zinc/44/68/95/851446895.db2.gz LYYCXSCOURBTTN-SJORKVTESA-N 1 3 376.850 3.826 20 0 GHADHO CCCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000101779206 851916198 /nfs/dbraw/zinc/91/61/98/851916198.db2.gz AYAXOQYCRJZXJV-HSZRJFAPSA-N 1 3 398.595 3.699 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C2(CC2)C1 ZINC001167982081 852057668 /nfs/dbraw/zinc/05/76/68/852057668.db2.gz VRKVYKHGSZYILZ-RAFMOHDBSA-N 1 3 389.584 3.771 20 0 GHADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CNCc2ccccc21 ZINC000516766616 852976318 /nfs/dbraw/zinc/97/63/18/852976318.db2.gz OQBOXIMYRFELRU-HSZRJFAPSA-N 1 3 377.532 3.566 20 0 GHADHO c1sc(-c2ccccc2)nc1CNCCN1CCN(Cc2ccccc2)CC1 ZINC000518269447 853143927 /nfs/dbraw/zinc/14/39/27/853143927.db2.gz JXQAEILJLDSGJH-UHFFFAOYSA-N 1 3 392.572 3.718 20 0 GHADHO c1sc(-c2ccccc2)nc1C[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000518269447 853143933 /nfs/dbraw/zinc/14/39/33/853143933.db2.gz JXQAEILJLDSGJH-UHFFFAOYSA-N 1 3 392.572 3.718 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3cccs3)C(C)C)CC2)CC1 ZINC000519643722 853352885 /nfs/dbraw/zinc/35/28/85/853352885.db2.gz IIKIBHOZNPENQE-UHFFFAOYSA-N 1 3 377.598 3.681 20 0 GHADHO C[C@@H]1CN(CCCOc2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490956718 853369317 /nfs/dbraw/zinc/36/93/17/853369317.db2.gz AXWLQFCXYPLLKQ-OFNKIYASSA-N 1 3 387.612 3.711 20 0 GHADHO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490963907 853374743 /nfs/dbraw/zinc/37/47/43/853374743.db2.gz IMQURMMCRLIKJU-PXDATVDWSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490963907 853374752 /nfs/dbraw/zinc/37/47/52/853374752.db2.gz IMQURMMCRLIKJU-PXDATVDWSA-N 1 3 393.575 3.723 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425912000 853577048 /nfs/dbraw/zinc/57/70/48/853577048.db2.gz CWPQFDBXZTULLD-JOCHJYFZSA-N 1 3 386.971 3.636 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414996205 853596525 /nfs/dbraw/zinc/59/65/25/853596525.db2.gz GGSUFNMARFCRSB-LDBYXDLTSA-N 1 3 387.474 3.665 20 0 GHADHO CN(CCOc1ccccc1F)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506152605 853618255 /nfs/dbraw/zinc/61/82/55/853618255.db2.gz GIWGLKJPZMRZEY-UHFFFAOYSA-N 1 3 385.527 3.867 20 0 GHADHO CCOc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OCC(F)(F)F ZINC000571164811 853776114 /nfs/dbraw/zinc/77/61/14/853776114.db2.gz BWVRJIFDUUKXFJ-QGZVFWFLSA-N 1 3 386.458 3.990 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@@H]3O)CC1)CCCS2 ZINC000188243685 853875566 /nfs/dbraw/zinc/87/55/66/853875566.db2.gz ZXMSZUIJKBWRSN-NJYVYQBISA-N 1 3 390.593 3.980 20 0 GHADHO Cc1cccc(N2C[C@@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)CC2=O)c1 ZINC001167991870 854299832 /nfs/dbraw/zinc/29/98/32/854299832.db2.gz FLZVEPNQFBYTNN-PYCXZRKXSA-N 1 3 393.575 3.829 20 0 GHADHO Cc1cccc(N2C[C@@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)CC2=O)c1 ZINC001167991870 854299838 /nfs/dbraw/zinc/29/98/38/854299838.db2.gz FLZVEPNQFBYTNN-PYCXZRKXSA-N 1 3 393.575 3.829 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000588641287 854322760 /nfs/dbraw/zinc/32/27/60/854322760.db2.gz BKXJXXUBUZUEJO-AZUAARDMSA-N 1 3 377.548 3.664 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000588641289 854323401 /nfs/dbraw/zinc/32/34/01/854323401.db2.gz BKXJXXUBUZUEJO-QUCCMNQESA-N 1 3 377.548 3.664 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016613 854335057 /nfs/dbraw/zinc/33/50/57/854335057.db2.gz ZVLMCLDFFKAKHB-OTWHNJEPSA-N 1 3 378.520 3.794 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016613 854335064 /nfs/dbraw/zinc/33/50/64/854335064.db2.gz ZVLMCLDFFKAKHB-OTWHNJEPSA-N 1 3 378.520 3.794 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016613 854335071 /nfs/dbraw/zinc/33/50/71/854335071.db2.gz ZVLMCLDFFKAKHB-OTWHNJEPSA-N 1 3 378.520 3.794 20 0 GHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000624101908 862652263 /nfs/dbraw/zinc/65/22/63/862652263.db2.gz FHGIKVNSJITDMZ-HKUYNNGSSA-N 1 3 388.543 3.576 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000590147024 855297880 /nfs/dbraw/zinc/29/78/80/855297880.db2.gz CUKPFCFJSSBFSZ-UNMCSNQZSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000590147024 855297887 /nfs/dbraw/zinc/29/78/87/855297887.db2.gz CUKPFCFJSSBFSZ-UNMCSNQZSA-N 1 3 386.584 3.777 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@](C)(O)C(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000905128320 856177630 /nfs/dbraw/zinc/17/76/30/856177630.db2.gz QUYDVRCUYFZIMW-UKPHBRMFSA-N 1 3 380.401 3.694 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@](C)(O)C(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000905128320 856177643 /nfs/dbraw/zinc/17/76/43/856177643.db2.gz QUYDVRCUYFZIMW-UKPHBRMFSA-N 1 3 380.401 3.694 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1c1cccs1 ZINC000905133596 856180892 /nfs/dbraw/zinc/18/08/92/856180892.db2.gz QMOGHMAFLHJBSW-BNOWGMLFSA-N 1 3 386.430 3.669 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1c1cccs1 ZINC000905133596 856180901 /nfs/dbraw/zinc/18/09/01/856180901.db2.gz QMOGHMAFLHJBSW-BNOWGMLFSA-N 1 3 386.430 3.669 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccc3cc[nH]c3c2)[C@@H]1c1cccs1 ZINC000905136572 856181954 /nfs/dbraw/zinc/18/19/54/856181954.db2.gz ZNWUUSMWNLLJIS-KGVIQGDOSA-N 1 3 399.560 3.642 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccc3cc[nH]c3c2)[C@@H]1c1cccs1 ZINC000905136572 856181956 /nfs/dbraw/zinc/18/19/56/856181956.db2.gz ZNWUUSMWNLLJIS-KGVIQGDOSA-N 1 3 399.560 3.642 20 0 GHADHO C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000729525011 856234374 /nfs/dbraw/zinc/23/43/74/856234374.db2.gz COMUKSZKYUVEDB-VQTJNVASSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)N1CCCCC1 ZINC000729525011 856234376 /nfs/dbraw/zinc/23/43/76/856234376.db2.gz COMUKSZKYUVEDB-VQTJNVASSA-N 1 3 387.568 3.544 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4cccc(C)c4CC3(C)C)CC2)CC1 ZINC000573506737 856266127 /nfs/dbraw/zinc/26/61/27/856266127.db2.gz VFLBSEOTAZNFLU-UHFFFAOYSA-N 1 3 397.607 3.855 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000674040498 862825219 /nfs/dbraw/zinc/82/52/19/862825219.db2.gz CAQRZZJUPWHXFY-UHFFFAOYSA-N 1 3 398.595 3.619 20 0 GHADHO CC(C)[NH+](CCN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1)C(C)C ZINC000508034025 856813075 /nfs/dbraw/zinc/81/30/75/856813075.db2.gz CSMYNXQCZMKQOU-SFHVURJKSA-N 1 3 380.602 3.645 20 0 GHADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483906 857499998 /nfs/dbraw/zinc/49/99/98/857499998.db2.gz SCOUGZJYGPLPIV-FCHUYYIVSA-N 1 3 398.595 3.633 20 0 GHADHO CC(C)[C@@H]1c2ccccc2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000675709456 857572429 /nfs/dbraw/zinc/57/24/29/857572429.db2.gz GLNZRBIAFWTTMU-HSZRJFAPSA-N 1 3 398.595 3.510 20 0 GHADHO COc1ccc([C@@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000675882876 857660050 /nfs/dbraw/zinc/66/00/50/857660050.db2.gz UKYYSWXGLZUHMW-RHSMWYFYSA-N 1 3 397.357 3.752 20 0 GHADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013675 857705264 /nfs/dbraw/zinc/70/52/64/857705264.db2.gz IMYBYJZTGDZFPK-FTEYMNFISA-N 1 3 375.557 3.931 20 0 GHADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013675 857705270 /nfs/dbraw/zinc/70/52/70/857705270.db2.gz IMYBYJZTGDZFPK-FTEYMNFISA-N 1 3 375.557 3.931 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000065881096 857871233 /nfs/dbraw/zinc/87/12/33/857871233.db2.gz UFFWHLYHBLZQCV-JOCHJYFZSA-N 1 3 397.538 3.806 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000065881096 857871243 /nfs/dbraw/zinc/87/12/43/857871243.db2.gz UFFWHLYHBLZQCV-JOCHJYFZSA-N 1 3 397.538 3.806 20 0 GHADHO FC(F)(F)c1ccc(Cn2cc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cn2)cc1 ZINC000574452208 857893086 /nfs/dbraw/zinc/89/30/86/857893086.db2.gz BQTHSILCEDOQEX-FQEVSTJZSA-N 1 3 392.469 3.914 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521602264 858148174 /nfs/dbraw/zinc/14/81/74/858148174.db2.gz XEXSLBRAFBPVJT-ZVDOUQERSA-N 1 3 389.559 3.522 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521602264 858148180 /nfs/dbraw/zinc/14/81/80/858148180.db2.gz XEXSLBRAFBPVJT-ZVDOUQERSA-N 1 3 389.559 3.522 20 0 GHADHO COC(=O)c1cccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000595900877 858712207 /nfs/dbraw/zinc/71/22/07/858712207.db2.gz OKUDMKXLYDZRAP-LJQANCHMSA-N 1 3 399.560 3.808 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000474060919 858740512 /nfs/dbraw/zinc/74/05/12/858740512.db2.gz SHFJCLFYKRIGSU-RBZQAINGSA-N 1 3 385.596 3.509 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)cc2)CC1 ZINC000474064089 858749066 /nfs/dbraw/zinc/74/90/66/858749066.db2.gz XZPGCLIRXRKNNX-KMDXXIMOSA-N 1 3 385.596 3.509 20 0 GHADHO COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000479062352 858826093 /nfs/dbraw/zinc/82/60/93/858826093.db2.gz PEAWARHCAUATAU-UGKGYDQZSA-N 1 3 380.532 3.845 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000466284218 858980357 /nfs/dbraw/zinc/98/03/57/858980357.db2.gz ZHUBCNCGBDIDJS-XXBNENTESA-N 1 3 394.563 3.601 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000466284218 858980362 /nfs/dbraw/zinc/98/03/62/858980362.db2.gz ZHUBCNCGBDIDJS-XXBNENTESA-N 1 3 394.563 3.601 20 0 GHADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000429688631 859008951 /nfs/dbraw/zinc/00/89/51/859008951.db2.gz CPOXMLXUOVEZII-LOSJGSFVSA-N 1 3 399.623 3.866 20 0 GHADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443604634 859033286 /nfs/dbraw/zinc/03/32/86/859033286.db2.gz LOLGFUCFPANRBO-IBGZPJMESA-N 1 3 389.559 3.761 20 0 GHADHO C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000483155398 859186445 /nfs/dbraw/zinc/18/64/45/859186445.db2.gz LTOYGSGKVWJQQA-UNMCSNQZSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000483155398 859186449 /nfs/dbraw/zinc/18/64/49/859186449.db2.gz LTOYGSGKVWJQQA-UNMCSNQZSA-N 1 3 383.580 3.764 20 0 GHADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625943851 859209258 /nfs/dbraw/zinc/20/92/58/859209258.db2.gz OQUGIQRWJFFCSR-UHFFFAOYSA-N 1 3 396.535 3.545 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000895479371 859565339 /nfs/dbraw/zinc/56/53/39/859565339.db2.gz PFXYLJWKYIIALB-WNRNVDISSA-N 1 3 390.490 3.608 20 0 GHADHO C[C@H](NCc1ccccc1C[NH+]1CCCCCC1)c1cccc(-n2cnnn2)c1 ZINC000164175440 859955870 /nfs/dbraw/zinc/95/58/70/859955870.db2.gz ZJECBCWYDSCUMA-IBGZPJMESA-N 1 3 390.535 3.889 20 0 GHADHO CC[NH+]1CCN(Cc2ccc(CNCc3nc4ccc(F)cc4s3)cc2)CC1 ZINC000428862918 860052669 /nfs/dbraw/zinc/05/26/69/860052669.db2.gz WNPPPAHJWDJPOH-UHFFFAOYSA-N 1 3 398.551 3.863 20 0 GHADHO COc1cc2c(cc1OC)[C@H](NCc1ccc(OC3CC[NH+](C)CC3)cc1)CC2 ZINC000284404334 860327328 /nfs/dbraw/zinc/32/73/28/860327328.db2.gz PYHKLVYTRUUWAI-JOCHJYFZSA-N 1 3 396.531 3.954 20 0 GHADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000765663321 860391143 /nfs/dbraw/zinc/39/11/43/860391143.db2.gz OFAAWOYCEFAVKF-IBGZPJMESA-N 1 3 388.556 3.546 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000116436067 860625664 /nfs/dbraw/zinc/62/56/64/860625664.db2.gz LTEWZWRPVBXJHQ-WMZHIEFXSA-N 1 3 394.563 3.814 20 0 GHADHO CC(=O)Oc1ccc(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1 ZINC000856603177 881577576 /nfs/dbraw/zinc/57/75/76/881577576.db2.gz CNUHUOYSGCXNSW-QHCPKHFHSA-N 1 3 397.519 3.500 20 0 GHADHO CC(=O)Oc1ccc(CN2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856603177 881577583 /nfs/dbraw/zinc/57/75/83/881577583.db2.gz CNUHUOYSGCXNSW-QHCPKHFHSA-N 1 3 397.519 3.500 20 0 GHADHO c1nc2ccccc2n1-c1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603516835 860785700 /nfs/dbraw/zinc/78/57/00/860785700.db2.gz DOFREKCDPWIIDG-JOCHJYFZSA-N 1 3 390.531 3.759 20 0 GHADHO CO[C@H](C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCC1 ZINC000856607163 881584947 /nfs/dbraw/zinc/58/49/47/881584947.db2.gz XGEOEJHPHOQRMP-FCHUYYIVSA-N 1 3 375.557 3.580 20 0 GHADHO CO[C@H](C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCC1 ZINC000856607163 881584957 /nfs/dbraw/zinc/58/49/57/881584957.db2.gz XGEOEJHPHOQRMP-FCHUYYIVSA-N 1 3 375.557 3.580 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)c2cccs2)CC1 ZINC000623342771 860890961 /nfs/dbraw/zinc/89/09/61/860890961.db2.gz NKDJICCFNTYCSX-OALUTQOASA-N 1 3 392.613 3.552 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000623342771 860890969 /nfs/dbraw/zinc/89/09/69/860890969.db2.gz NKDJICCFNTYCSX-OALUTQOASA-N 1 3 392.613 3.552 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)C1 ZINC001168528891 861001388 /nfs/dbraw/zinc/00/13/88/861001388.db2.gz OIPKUXBAUVQHLL-JJXSEGSLSA-N 1 3 393.494 3.779 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445695 863132348 /nfs/dbraw/zinc/13/23/48/863132348.db2.gz BHDUFGPLMIEHSW-GMAHTHKFSA-N 1 3 393.575 3.738 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445695 863132355 /nfs/dbraw/zinc/13/23/55/863132355.db2.gz BHDUFGPLMIEHSW-GMAHTHKFSA-N 1 3 393.575 3.738 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445695 863132361 /nfs/dbraw/zinc/13/23/61/863132361.db2.gz BHDUFGPLMIEHSW-GMAHTHKFSA-N 1 3 393.575 3.738 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(Nc4ccccc4)c3)CC2)CC1 ZINC000522815585 863439324 /nfs/dbraw/zinc/43/93/24/863439324.db2.gz NIBJIHDUHCHJBX-UHFFFAOYSA-N 1 3 392.547 3.719 20 0 GHADHO O[C@@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000606902933 863926520 /nfs/dbraw/zinc/92/65/20/863926520.db2.gz GVIVURWYTMCDCD-PMACEKPBSA-N 1 3 377.532 3.573 20 0 GHADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@H]1Oc1ccccc1 ZINC000480327245 864504171 /nfs/dbraw/zinc/50/41/71/864504171.db2.gz LMGVCVKKFSNDFV-WXFUMESZSA-N 1 3 380.532 3.866 20 0 GHADHO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475313562 864768265 /nfs/dbraw/zinc/76/82/65/864768265.db2.gz DXRZOPIPPKCLFD-DEOSSOPVSA-N 1 3 391.559 3.632 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000121110152 881927219 /nfs/dbraw/zinc/92/72/19/881927219.db2.gz JOGOVQSNZLYWLT-CVEARBPZSA-N 1 3 381.948 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000121110152 881927231 /nfs/dbraw/zinc/92/72/31/881927231.db2.gz JOGOVQSNZLYWLT-CVEARBPZSA-N 1 3 381.948 3.777 20 0 GHADHO C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000600014028 866034353 /nfs/dbraw/zinc/03/43/53/866034353.db2.gz ISKZAEPTVGHWAZ-QFIPXVFZSA-N 1 3 399.623 3.958 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000183103622 866212870 /nfs/dbraw/zinc/21/28/70/866212870.db2.gz ZPZUYMXNZITIAK-MJGOQNOKSA-N 1 3 379.589 3.876 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cc1CN1CCCCC1 ZINC000183205453 866377102 /nfs/dbraw/zinc/37/71/02/866377102.db2.gz KWDZOVDZWNPVBR-SFHVURJKSA-N 1 3 395.547 3.673 20 0 GHADHO C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H](c1ccccc1)N(C)C ZINC000478728158 866560278 /nfs/dbraw/zinc/56/02/78/866560278.db2.gz WDUSRXVAJIEORW-WMZHIEFXSA-N 1 3 394.563 3.773 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)(N2CCCCC2)CC1 ZINC000534419985 866765189 /nfs/dbraw/zinc/76/51/89/866765189.db2.gz AEOFGHUWSZLVES-NJDAHSKKSA-N 1 3 375.601 3.659 20 0 GHADHO O=C(c1ccccc1)N1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000153536412 866935155 /nfs/dbraw/zinc/93/51/55/866935155.db2.gz WZQGKILNUFHTNJ-UHFFFAOYSA-N 1 3 383.580 3.926 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000153685551 867025461 /nfs/dbraw/zinc/02/54/61/867025461.db2.gz BLUHJDVROCDZOP-NFBKMPQASA-N 1 3 379.548 3.523 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000553254841 867059716 /nfs/dbraw/zinc/05/97/16/867059716.db2.gz WDVDIEBCWFJSDK-UHFFFAOYSA-N 1 3 383.458 3.840 20 0 GHADHO CN1CC[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000534612071 867139033 /nfs/dbraw/zinc/13/90/33/867139033.db2.gz SBYBGFWYAYOZNY-VABKMULXSA-N 1 3 392.547 3.568 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000553340687 867228667 /nfs/dbraw/zinc/22/86/67/867228667.db2.gz SDPLMNLWEVRDOD-QFIPXVFZSA-N 1 3 387.543 3.686 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000154237514 867314618 /nfs/dbraw/zinc/31/46/18/867314618.db2.gz FIUGLAPWMCJNHW-LJQANCHMSA-N 1 3 384.593 3.805 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000154259828 867324681 /nfs/dbraw/zinc/32/46/81/867324681.db2.gz FYMQLATZXWESEP-KRWDZBQOSA-N 1 3 386.367 3.824 20 0 GHADHO C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@@H](c1ccccc1)N(C)C ZINC000857182791 882094804 /nfs/dbraw/zinc/09/48/04/882094804.db2.gz OWDAXMHAKCNUEG-NMNUPHIUSA-N 1 3 379.548 3.917 20 0 GHADHO C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@@H](c1ccccc1)N(C)C ZINC000857182791 882094822 /nfs/dbraw/zinc/09/48/22/882094822.db2.gz OWDAXMHAKCNUEG-NMNUPHIUSA-N 1 3 379.548 3.917 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000620820725 867576937 /nfs/dbraw/zinc/57/69/37/867576937.db2.gz WMCFPVCSYQHVNV-DHIUTWEWSA-N 1 3 394.563 3.562 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000162850144 867660482 /nfs/dbraw/zinc/66/04/82/867660482.db2.gz IJYIUEIYUXZAAN-KDURUIRLSA-N 1 3 394.003 3.783 20 0 GHADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461368 867803011 /nfs/dbraw/zinc/80/30/11/867803011.db2.gz BTPGTLIYLNYKDV-IRLDBZIGSA-N 1 3 379.548 3.696 20 0 GHADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461368 867803026 /nfs/dbraw/zinc/80/30/26/867803026.db2.gz BTPGTLIYLNYKDV-IRLDBZIGSA-N 1 3 379.548 3.696 20 0 GHADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000479465750 867811036 /nfs/dbraw/zinc/81/10/36/867811036.db2.gz PLQSTKSFEBJEOD-PWWKTKHKSA-N 1 3 393.575 3.560 20 0 GHADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000479465750 867811057 /nfs/dbraw/zinc/81/10/57/867811057.db2.gz PLQSTKSFEBJEOD-PWWKTKHKSA-N 1 3 393.575 3.560 20 0 GHADHO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000920590467 882194876 /nfs/dbraw/zinc/19/48/76/882194876.db2.gz CCXNTUFHTWKHKG-CABCVRRESA-N 1 3 399.318 3.764 20 0 GHADHO C[N@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000920590467 882194888 /nfs/dbraw/zinc/19/48/88/882194888.db2.gz CCXNTUFHTWKHKG-CABCVRRESA-N 1 3 399.318 3.764 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880671 868651013 /nfs/dbraw/zinc/65/10/13/868651013.db2.gz GOLOMQDUGSOPSH-SQJMNOBHSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000479880671 868651018 /nfs/dbraw/zinc/65/10/18/868651018.db2.gz GOLOMQDUGSOPSH-SQJMNOBHSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000479880671 868651022 /nfs/dbraw/zinc/65/10/22/868651022.db2.gz GOLOMQDUGSOPSH-SQJMNOBHSA-N 1 3 393.575 3.519 20 0 GHADHO Fc1ccc(CC[NH+]2CCC(NCc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000157581785 868694877 /nfs/dbraw/zinc/69/48/77/868694877.db2.gz AMHOELAETFCHCP-UHFFFAOYSA-N 1 3 378.495 3.808 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000535514332 868875465 /nfs/dbraw/zinc/87/54/65/868875465.db2.gz QALJDLYZXCRKHJ-VXNXHJTFSA-N 1 3 397.607 3.522 20 0 GHADHO C[C@@H](C1CC1)N(C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000248388962 870357978 /nfs/dbraw/zinc/35/79/78/870357978.db2.gz AFFBNNFPDDCNGC-UAKAABGRSA-N 1 3 383.580 3.522 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000248449968 870430348 /nfs/dbraw/zinc/43/03/48/870430348.db2.gz OWCBQJGPQCREPF-MGPUTAFESA-N 1 3 389.337 3.867 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000248449968 870430361 /nfs/dbraw/zinc/43/03/61/870430361.db2.gz OWCBQJGPQCREPF-MGPUTAFESA-N 1 3 389.337 3.867 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC4(CCCC4)CC3)CC2)CC1 ZINC000617563127 870434494 /nfs/dbraw/zinc/43/44/94/870434494.db2.gz GLFMXICIJUZABY-UHFFFAOYSA-N 1 3 375.601 3.756 20 0 GHADHO COc1cc(C)c([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000248457938 870436212 /nfs/dbraw/zinc/43/62/12/870436212.db2.gz UIBOZFDHIFRWMY-RXVVDRJESA-N 1 3 398.547 3.820 20 0 GHADHO COc1cc(C)c([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000248457938 870436221 /nfs/dbraw/zinc/43/62/21/870436221.db2.gz UIBOZFDHIFRWMY-RXVVDRJESA-N 1 3 398.547 3.820 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248460127 870439141 /nfs/dbraw/zinc/43/91/41/870439141.db2.gz WGIVVRWNPRHXOR-GMAHTHKFSA-N 1 3 380.532 3.955 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248460127 870439151 /nfs/dbraw/zinc/43/91/51/870439151.db2.gz WGIVVRWNPRHXOR-GMAHTHKFSA-N 1 3 380.532 3.955 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000248463729 870443908 /nfs/dbraw/zinc/44/39/08/870443908.db2.gz ZDCQJIJGVHHALM-AVRDEDQJSA-N 1 3 396.531 3.655 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000248463729 870443919 /nfs/dbraw/zinc/44/39/19/870443919.db2.gz ZDCQJIJGVHHALM-AVRDEDQJSA-N 1 3 396.531 3.655 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000525392529 870601006 /nfs/dbraw/zinc/60/10/06/870601006.db2.gz NPQIFBGXYFHCKT-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000525392529 870601016 /nfs/dbraw/zinc/60/10/16/870601016.db2.gz NPQIFBGXYFHCKT-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO CC(C)[NH+](CCCNC(=S)NC1CCN(Cc2ccccc2)CC1)C(C)C ZINC000746395156 870602962 /nfs/dbraw/zinc/60/29/62/870602962.db2.gz LUJSYIYYRZMLSQ-UHFFFAOYSA-N 1 3 390.641 3.624 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000249309418 870808296 /nfs/dbraw/zinc/80/82/96/870808296.db2.gz KZTJYJJRYHDPIQ-RTBURBONSA-N 1 3 392.613 3.696 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000249309418 870808305 /nfs/dbraw/zinc/80/83/05/870808305.db2.gz KZTJYJJRYHDPIQ-RTBURBONSA-N 1 3 392.613 3.696 20 0 GHADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)N(C)C)c1 ZINC000463138013 870991008 /nfs/dbraw/zinc/99/10/08/870991008.db2.gz NWGOVPPYPACDSG-CKUXNOBLSA-N 1 3 381.564 3.941 20 0 GHADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)c1 ZINC000463138013 870991019 /nfs/dbraw/zinc/99/10/19/870991019.db2.gz NWGOVPPYPACDSG-CKUXNOBLSA-N 1 3 381.564 3.941 20 0 GHADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)c1 ZINC000463138013 870991027 /nfs/dbraw/zinc/99/10/27/870991027.db2.gz NWGOVPPYPACDSG-CKUXNOBLSA-N 1 3 381.564 3.941 20 0 GHADHO c1ccc(N2CCN(CCCN3CCC[C@H](C[NH+]4CCCCCC4)C3)CC2)cc1 ZINC000509643506 871059963 /nfs/dbraw/zinc/05/99/63/871059963.db2.gz NWZWORRXXXCBFD-XMMPIXPASA-N 1 3 398.639 3.787 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001169101251 871175396 /nfs/dbraw/zinc/17/53/96/871175396.db2.gz PWIPYXOLKXJAPX-BURNTYAHSA-N 1 3 385.552 3.563 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)c2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000539056376 871191154 /nfs/dbraw/zinc/19/11/54/871191154.db2.gz JGKZFRGZILMRFI-BJLQDIEVSA-N 1 3 386.540 3.567 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)c2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000539056376 871191167 /nfs/dbraw/zinc/19/11/67/871191167.db2.gz JGKZFRGZILMRFI-BJLQDIEVSA-N 1 3 386.540 3.567 20 0 GHADHO CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000091375063 871278431 /nfs/dbraw/zinc/27/84/31/871278431.db2.gz QMUWZASYAKUNJG-HSZRJFAPSA-N 1 3 379.548 3.999 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000618492945 871680543 /nfs/dbraw/zinc/68/05/43/871680543.db2.gz PWGLYHMTMIVJJR-UHFFFAOYSA-N 1 3 391.559 3.939 20 0 GHADHO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)CCC2 ZINC000447543297 871814373 /nfs/dbraw/zinc/81/43/73/871814373.db2.gz RLXPCSBZVGMNPV-XYJFISCASA-N 1 3 392.540 3.621 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000477966680 872228391 /nfs/dbraw/zinc/22/83/91/872228391.db2.gz NWJRFHSUUDGDOX-JOCHJYFZSA-N 1 3 397.538 3.628 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477966680 872228566 /nfs/dbraw/zinc/22/85/66/872228566.db2.gz NWJRFHSUUDGDOX-JOCHJYFZSA-N 1 3 397.538 3.628 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H](C)C1 ZINC000122444074 882604010 /nfs/dbraw/zinc/60/40/10/882604010.db2.gz KZEPRWQHUOOKKM-GCJKJVERSA-N 1 3 387.568 3.652 20 0 GHADHO COc1ccc(Cn2nc(C)c(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)c2C)cc1 ZINC000463743302 872483741 /nfs/dbraw/zinc/48/37/41/872483741.db2.gz GGPIHNKOBWZIQS-SEJPIABJSA-N 1 3 382.552 3.662 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478406873 872956865 /nfs/dbraw/zinc/95/68/65/872956865.db2.gz ODGJENBTQDKATR-UHFFFAOYSA-N 1 3 394.991 3.535 20 0 GHADHO CN1CC[N@H+](CCCNCc2csc(C(C)(C)C)n2)[C@@H](c2ccccc2)C1 ZINC000619761486 872974044 /nfs/dbraw/zinc/97/40/44/872974044.db2.gz PITDDCKRCITCRO-HXUWFJFHSA-N 1 3 386.609 3.909 20 0 GHADHO CN1CC[N@@H+](CCCNCc2csc(C(C)(C)C)n2)[C@@H](c2ccccc2)C1 ZINC000619761486 872974049 /nfs/dbraw/zinc/97/40/49/872974049.db2.gz PITDDCKRCITCRO-HXUWFJFHSA-N 1 3 386.609 3.909 20 0 GHADHO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000191984183 882692985 /nfs/dbraw/zinc/69/29/85/882692985.db2.gz VTLWTLLHMJJVQN-PMACEKPBSA-N 1 3 382.552 3.502 20 0 GHADHO C[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000527487619 873204894 /nfs/dbraw/zinc/20/48/94/873204894.db2.gz VADAABCLLBVAQW-XKCSPQBFSA-N 1 3 383.580 3.810 20 0 GHADHO COc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)cc(C(F)(F)F)c1 ZINC000527641749 873392462 /nfs/dbraw/zinc/39/24/62/873392462.db2.gz VSMGTAYQDMOAKQ-UHFFFAOYSA-N 1 3 382.426 3.944 20 0 GHADHO CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000550882094 882763479 /nfs/dbraw/zinc/76/34/79/882763479.db2.gz IMEFQUYUSXIYKN-DHIUTWEWSA-N 1 3 386.580 3.710 20 0 GHADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769513600 874120949 /nfs/dbraw/zinc/12/09/49/874120949.db2.gz CPAASLLCPASBES-HXUWFJFHSA-N 1 3 379.589 3.687 20 0 GHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769513600 874120954 /nfs/dbraw/zinc/12/09/54/874120954.db2.gz CPAASLLCPASBES-HXUWFJFHSA-N 1 3 379.589 3.687 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000541916091 874559692 /nfs/dbraw/zinc/55/96/92/874559692.db2.gz ADTOGSQYLNNRRP-SFHVURJKSA-N 1 3 389.531 3.727 20 0 GHADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000528997213 875419336 /nfs/dbraw/zinc/41/93/36/875419336.db2.gz XANNUKYZUROXOL-WWPVKYPJSA-N 1 3 383.580 3.547 20 0 GHADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000528997213 875419339 /nfs/dbraw/zinc/41/93/39/875419339.db2.gz XANNUKYZUROXOL-WWPVKYPJSA-N 1 3 383.580 3.547 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cccc(OC3CCCC3)c2)C1 ZINC001201954273 875952446 /nfs/dbraw/zinc/95/24/46/875952446.db2.gz KDGWTQANWWSCMC-JOCHJYFZSA-N 1 3 380.532 3.864 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cccc(OC3CCCC3)c2)C1 ZINC001201954273 875952450 /nfs/dbraw/zinc/95/24/50/875952450.db2.gz KDGWTQANWWSCMC-JOCHJYFZSA-N 1 3 380.532 3.864 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc4c(cc3Cl)CCC4)CC2)CC1 ZINC000529283197 875953623 /nfs/dbraw/zinc/95/36/23/875953623.db2.gz IJBMEJJUKLPIBZ-UHFFFAOYSA-N 1 3 390.959 3.509 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC000192777774 883016365 /nfs/dbraw/zinc/01/63/65/883016365.db2.gz UUEQGVONFSTMSH-FQEVSTJZSA-N 1 3 394.003 3.847 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC000192777774 883016385 /nfs/dbraw/zinc/01/63/85/883016385.db2.gz UUEQGVONFSTMSH-FQEVSTJZSA-N 1 3 394.003 3.847 20 0 GHADHO CCc1ccc2nccc(NCc3ccccc3C[NH+]3CCC(O)CC3)c2c1 ZINC000450357621 876321959 /nfs/dbraw/zinc/32/19/59/876321959.db2.gz MDMXTZMKIPKTEA-UHFFFAOYSA-N 1 3 375.516 3.788 20 0 GHADHO CN(C)Cc1cccc(NC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1 ZINC000174149261 876861508 /nfs/dbraw/zinc/86/15/08/876861508.db2.gz OOUBLFXANBYYSZ-UHFFFAOYSA-N 1 3 390.915 3.986 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc2)CC1 ZINC000174194948 876892503 /nfs/dbraw/zinc/89/25/03/876892503.db2.gz GCDYMTQTDBLFGE-GGAORHGYSA-N 1 3 398.595 3.587 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458453 876940533 /nfs/dbraw/zinc/94/05/33/876940533.db2.gz SNOSTCITTRQMTF-MBSDFSHPSA-N 1 3 380.532 3.819 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458453 876940542 /nfs/dbraw/zinc/94/05/42/876940542.db2.gz SNOSTCITTRQMTF-MBSDFSHPSA-N 1 3 380.532 3.819 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000530036302 877005193 /nfs/dbraw/zinc/00/51/93/877005193.db2.gz CNOZYJJMFWLRJE-LJQANCHMSA-N 1 3 377.617 3.858 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1OC ZINC000850558062 877024362 /nfs/dbraw/zinc/02/43/62/877024362.db2.gz PRFMFSHURKOJHZ-ROUUACIJSA-N 1 3 389.584 3.835 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000850576252 877043885 /nfs/dbraw/zinc/04/38/85/877043885.db2.gz IODVOYIFGJLNCD-AUSIDOKSSA-N 1 3 392.547 3.607 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000850576252 877043899 /nfs/dbraw/zinc/04/38/99/877043899.db2.gz IODVOYIFGJLNCD-AUSIDOKSSA-N 1 3 392.547 3.607 20 0 GHADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000237606270 877680308 /nfs/dbraw/zinc/68/03/08/877680308.db2.gz DMALZDOWDTUVLI-WCIQWLHISA-N 1 3 379.589 3.876 20 0 GHADHO CC1(C)CC(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC(C)(C)[NH2+]1 ZINC000477644012 877969422 /nfs/dbraw/zinc/96/94/22/877969422.db2.gz XVHSSVHBPJYYJT-SFHVURJKSA-N 1 3 393.522 3.569 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C[C@@H](C)O1 ZINC000788645265 878204669 /nfs/dbraw/zinc/20/46/69/878204669.db2.gz OJQGBYXXLUWPQA-MTQWCTHYSA-N 1 3 397.604 3.501 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(CC([NH2+]C3CCN(CC4CCCC4)CC3)C2)C1 ZINC000788686463 878243501 /nfs/dbraw/zinc/24/35/01/878243501.db2.gz NXQAKFQZMNMRNC-UHFFFAOYSA-N 1 3 377.573 3.630 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(CC(NC3CC[NH+](CC4CCCC4)CC3)C2)C1 ZINC000788686463 878243513 /nfs/dbraw/zinc/24/35/13/878243513.db2.gz NXQAKFQZMNMRNC-UHFFFAOYSA-N 1 3 377.573 3.630 20 0 GHADHO Cc1cc(C)c(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000237909309 878314707 /nfs/dbraw/zinc/31/47/07/878314707.db2.gz QOJWVHIVRIYNNH-QFIPXVFZSA-N 1 3 379.548 3.599 20 0 GHADHO Cc1cc(C)c(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000237909309 878314725 /nfs/dbraw/zinc/31/47/25/878314725.db2.gz QOJWVHIVRIYNNH-QFIPXVFZSA-N 1 3 379.548 3.599 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000616083470 878487097 /nfs/dbraw/zinc/48/70/97/878487097.db2.gz SXCZVUJRJBDMLS-IBGZPJMESA-N 1 3 392.563 3.554 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000616083470 878487105 /nfs/dbraw/zinc/48/71/05/878487105.db2.gz SXCZVUJRJBDMLS-IBGZPJMESA-N 1 3 392.563 3.554 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177602011 878773659 /nfs/dbraw/zinc/77/36/59/878773659.db2.gz JJKKSYLUNVSUAN-HKUYNNGSSA-N 1 3 375.582 3.656 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177602011 878773673 /nfs/dbraw/zinc/77/36/73/878773673.db2.gz JJKKSYLUNVSUAN-HKUYNNGSSA-N 1 3 375.582 3.656 20 0 GHADHO Cc1ccc(C)c(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1 ZINC000530928218 878794390 /nfs/dbraw/zinc/79/43/90/878794390.db2.gz QCVNFWXEQIKUOL-UHFFFAOYSA-N 1 3 393.575 3.764 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C[C@H]2C1 ZINC000853093034 878809797 /nfs/dbraw/zinc/80/97/97/878809797.db2.gz ZTKYNRAESPPYMB-TUFLPTIASA-N 1 3 391.600 3.734 20 0 GHADHO COc1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)c(OCc2cccnc2)c1 ZINC001183256328 912388152 /nfs/dbraw/zinc/38/81/52/912388152.db2.gz KNTHCOHWUVCGGM-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO O[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cc(F)ccc1F ZINC000853120232 878827336 /nfs/dbraw/zinc/82/73/36/878827336.db2.gz HYWHULMRCOQYNT-GCJKJVERSA-N 1 3 386.486 3.890 20 0 GHADHO C[N@H+](Cc1ccccc1CN[C@@H]1CCCC[C@H]1S(C)(=O)=O)C1CCCCC1 ZINC000246018882 878865638 /nfs/dbraw/zinc/86/56/38/878865638.db2.gz JODKQSKDGSSKKM-FGZHOGPDSA-N 1 3 392.609 3.897 20 0 GHADHO C[N@@H+](Cc1ccccc1CN[C@@H]1CCCC[C@H]1S(C)(=O)=O)C1CCCCC1 ZINC000246018882 878865642 /nfs/dbraw/zinc/86/56/42/878865642.db2.gz JODKQSKDGSSKKM-FGZHOGPDSA-N 1 3 392.609 3.897 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001183282656 912393491 /nfs/dbraw/zinc/39/34/91/912393491.db2.gz WEPFNOUEKDTGOD-ICSRJNTNSA-N 1 3 389.584 3.895 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000667054104 878961321 /nfs/dbraw/zinc/96/13/21/878961321.db2.gz JHJYWMWJFDCULI-LDQXTDLNSA-N 1 3 376.541 3.591 20 0 GHADHO Cc1nc2ccccc2n1CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538268273 879154616 /nfs/dbraw/zinc/15/46/16/879154616.db2.gz DMEHFRIXGBOHJW-NRFANRHFSA-N 1 3 390.531 3.923 20 0 GHADHO Cc1nc2ccccc2n1CCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538268273 879154619 /nfs/dbraw/zinc/15/46/19/879154619.db2.gz DMEHFRIXGBOHJW-NRFANRHFSA-N 1 3 390.531 3.923 20 0 GHADHO COc1ccc([C@H](C[NH3+])CN2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000643078693 912449953 /nfs/dbraw/zinc/44/99/53/912449953.db2.gz ASZCOUFPGSGIME-QGZVFWFLSA-N 1 3 383.467 3.897 20 0 GHADHO C[C@](O)(CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000180898440 879465979 /nfs/dbraw/zinc/46/59/79/879465979.db2.gz FLFTVOITXOBBKD-QFIPXVFZSA-N 1 3 392.465 3.608 20 0 GHADHO CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4CCN(C)C[C@H]43)c2)CC1 ZINC000493957796 879773820 /nfs/dbraw/zinc/77/38/20/879773820.db2.gz JGWPSAISNLAHFL-IFMALSPDSA-N 1 3 384.568 3.519 20 0 GHADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140382 879814022 /nfs/dbraw/zinc/81/40/22/879814022.db2.gz XSBVHFDJMGIHRX-NZRJUOQRSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140382 879814032 /nfs/dbraw/zinc/81/40/32/879814032.db2.gz XSBVHFDJMGIHRX-NZRJUOQRSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000246896737 879842629 /nfs/dbraw/zinc/84/26/29/879842629.db2.gz FRGKQOXPFXRQJD-RBUKOAKNSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000246896737 879842634 /nfs/dbraw/zinc/84/26/34/879842634.db2.gz FRGKQOXPFXRQJD-RBUKOAKNSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c2c(F)cccc2Cl)CCO1 ZINC000246982096 879872028 /nfs/dbraw/zinc/87/20/28/879872028.db2.gz JTQVFMMHSYZXAC-DSEDUUINSA-N 1 3 397.966 3.559 20 0 GHADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000854515067 879873539 /nfs/dbraw/zinc/87/35/39/879873539.db2.gz NQRAHOPYPOHRQR-FYYLOGMGSA-N 1 3 377.532 3.547 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000247152928 879931947 /nfs/dbraw/zinc/93/19/47/879931947.db2.gz XFUDNRIIXRVLSA-MJGOQNOKSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000247152928 879931955 /nfs/dbraw/zinc/93/19/55/879931955.db2.gz XFUDNRIIXRVLSA-MJGOQNOKSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000247152928 879931967 /nfs/dbraw/zinc/93/19/67/879931967.db2.gz XFUDNRIIXRVLSA-MJGOQNOKSA-N 1 3 379.976 3.787 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000247349662 879977724 /nfs/dbraw/zinc/97/77/24/879977724.db2.gz OXNRBAOTQFWGBM-HKTJVKLFSA-N 1 3 396.575 3.876 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000247349662 879977740 /nfs/dbraw/zinc/97/77/40/879977740.db2.gz OXNRBAOTQFWGBM-HKTJVKLFSA-N 1 3 396.575 3.876 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000542476565 880281290 /nfs/dbraw/zinc/28/12/90/880281290.db2.gz FVYAHLLURHHFMH-OAQYLSRUSA-N 1 3 381.520 3.970 20 0 GHADHO CC1CC[NH+](C2CCC(NC(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000120069607 881308164 /nfs/dbraw/zinc/30/81/64/881308164.db2.gz APXLHTDXAUFSPJ-HRTMPFAESA-N 1 3 386.584 3.632 20 0 GHADHO CC(=O)N(C)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000858496972 883151239 /nfs/dbraw/zinc/15/12/39/883151239.db2.gz WSWBLKHDPSOMRO-VILGAWFOSA-N 1 3 377.532 3.955 20 0 GHADHO CC1CCN([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)c2cccs2)CC1 ZINC000195302475 883265655 /nfs/dbraw/zinc/26/56/55/883265655.db2.gz HTBYBRZQFSKVLD-LJQANCHMSA-N 1 3 375.582 3.512 20 0 GHADHO C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184095077 883317212 /nfs/dbraw/zinc/31/72/12/883317212.db2.gz ZIHQIGOMFYWVKN-FDDCHVKYSA-N 1 3 398.595 3.558 20 0 GHADHO Cc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)ccc1Cl ZINC001211910509 883328991 /nfs/dbraw/zinc/32/89/91/883328991.db2.gz FIVQXIPHAANLTL-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)ccc1Cl ZINC001211910509 883329004 /nfs/dbraw/zinc/32/90/04/883329004.db2.gz FIVQXIPHAANLTL-SFHVURJKSA-N 1 3 394.906 3.887 20 0 GHADHO CC1(C)[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@@H]2CCCO[C@H]21 ZINC000551265610 883574768 /nfs/dbraw/zinc/57/47/68/883574768.db2.gz WPHNVXSYJXROGL-KAOXLYBCSA-N 1 3 398.591 3.708 20 0 GHADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000455888840 883588533 /nfs/dbraw/zinc/58/85/33/883588533.db2.gz XZFALAOHQCAWON-UNMCSNQZSA-N 1 3 378.520 3.632 20 0 GHADHO C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234423 884187916 /nfs/dbraw/zinc/18/79/16/884187916.db2.gz XHSWYPSASNELNG-YKSBVNFPSA-N 1 3 394.559 3.758 20 0 GHADHO C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234423 884187923 /nfs/dbraw/zinc/18/79/23/884187923.db2.gz XHSWYPSASNELNG-YKSBVNFPSA-N 1 3 394.559 3.758 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234423 884187928 /nfs/dbraw/zinc/18/79/28/884187928.db2.gz XHSWYPSASNELNG-YKSBVNFPSA-N 1 3 394.559 3.758 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000495057442 884460575 /nfs/dbraw/zinc/46/05/75/884460575.db2.gz FQQPOYYDYRVXTK-IBGZPJMESA-N 1 3 395.547 3.714 20 0 GHADHO c1nnc([C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C2CCCCC2)[nH]1 ZINC000495065362 884468245 /nfs/dbraw/zinc/46/82/45/884468245.db2.gz ZLLJPZJDJIHNSV-OAQYLSRUSA-N 1 3 383.540 3.691 20 0 GHADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000498608730 885044042 /nfs/dbraw/zinc/04/40/42/885044042.db2.gz ZNJBADZVNGOCIX-CVDCTZTESA-N 1 3 398.595 3.746 20 0 GHADHO CN(CCCN(C)C(=O)NC1CCC([NH+]2CCCCC2)CC1)Cc1ccco1 ZINC000806931396 885097888 /nfs/dbraw/zinc/09/78/88/885097888.db2.gz LVXBKAFIWVCICD-UHFFFAOYSA-N 1 3 390.572 3.540 20 0 GHADHO C[C@@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000807398682 885424773 /nfs/dbraw/zinc/42/47/73/885424773.db2.gz AKMZKKKJWSQVLL-XMSQKQJNSA-N 1 3 382.552 3.581 20 0 GHADHO Cn1cccc1-c1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170524655 885475383 /nfs/dbraw/zinc/47/53/83/885475383.db2.gz FHLHVIWOOWDDGC-UHFFFAOYSA-N 1 3 399.542 3.997 20 0 GHADHO CN(C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000762321999 886029454 /nfs/dbraw/zinc/02/94/54/886029454.db2.gz YOHAGAKSYQWYQP-XPPIMPSXSA-N 1 3 398.595 3.699 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCCCc3cccs3)CC2)CC1 ZINC000109095652 886099633 /nfs/dbraw/zinc/09/96/33/886099633.db2.gz XSDGMDALZZEJLS-UHFFFAOYSA-N 1 3 377.598 3.526 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C[C@H](C)O1 ZINC000532645909 886859039 /nfs/dbraw/zinc/85/90/39/886859039.db2.gz ORUAURFUHISPQA-PMACEKPBSA-N 1 3 382.552 3.584 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000050801146 887709968 /nfs/dbraw/zinc/70/99/68/887709968.db2.gz ZLJSDMMTHIIGQR-UHFFFAOYSA-N 1 3 385.596 3.592 20 0 GHADHO Cc1c2ccccc2oc1[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761510 887782783 /nfs/dbraw/zinc/78/27/83/887782783.db2.gz QKBWJQNZGRWKIT-KRWDZBQOSA-N 1 3 398.551 3.660 20 0 GHADHO O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184406465 913205660 /nfs/dbraw/zinc/20/56/60/913205660.db2.gz ZJIQMQRPLSSKKH-IBGZPJMESA-N 1 3 391.987 3.981 20 0 GHADHO CSC1(CNCc2c(C)nn(Cc3ccccc3)c2Cl)CC[NH+](C)CC1 ZINC000810170958 888230239 /nfs/dbraw/zinc/23/02/39/888230239.db2.gz VJWHPXOBGDQRKF-UHFFFAOYSA-N 1 3 393.000 3.810 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000245656550 889175275 /nfs/dbraw/zinc/17/52/75/889175275.db2.gz FBKITWLACOWHBB-AUSIDOKSSA-N 1 3 396.604 3.953 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000245656550 889175279 /nfs/dbraw/zinc/17/52/79/889175279.db2.gz FBKITWLACOWHBB-AUSIDOKSSA-N 1 3 396.604 3.953 20 0 GHADHO COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245663250 889239929 /nfs/dbraw/zinc/23/99/29/889239929.db2.gz GFEJMHZZFPTXJY-VLVHOKLOSA-N 1 3 396.531 3.522 20 0 GHADHO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(CN4C[C@H](C)O[C@@H](C)C4)CC3)cc2)n1 ZINC000532956294 889420760 /nfs/dbraw/zinc/42/07/60/889420760.db2.gz MQNIUWZAIYATFQ-SFTDATJTSA-N 1 3 396.579 3.810 20 0 GHADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000644584083 913381479 /nfs/dbraw/zinc/38/14/79/913381479.db2.gz CYZUUENRVJKPRB-INIZCTEOSA-N 1 3 387.351 3.730 20 0 GHADHO CC(C)[NH+]1CCC(N[C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872046857 891130416 /nfs/dbraw/zinc/13/04/16/891130416.db2.gz NGJGMQMMTOGKAZ-APWZRJJASA-N 1 3 381.358 3.989 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000247116809 891370531 /nfs/dbraw/zinc/37/05/31/891370531.db2.gz MBNHIJCOVBIDJW-PGRDOPGGSA-N 1 3 385.552 3.643 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000247116809 891370547 /nfs/dbraw/zinc/37/05/47/891370547.db2.gz MBNHIJCOVBIDJW-PGRDOPGGSA-N 1 3 385.552 3.643 20 0 GHADHO CCCO[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@@H](OCCC)CC3)COC2)CC1 ZINC000248419533 891434515 /nfs/dbraw/zinc/43/45/15/891434515.db2.gz LDCLXIBWZUUFEU-FGZHOGPDSA-N 1 3 396.616 3.565 20 0 GHADHO CCCO[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@@H](OCCC)CC3)COC2)CC1 ZINC000248419533 891434526 /nfs/dbraw/zinc/43/45/26/891434526.db2.gz LDCLXIBWZUUFEU-FGZHOGPDSA-N 1 3 396.616 3.565 20 0 GHADHO CN1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000497416221 891533384 /nfs/dbraw/zinc/53/33/84/891533384.db2.gz JQJYZIKZXGJVGA-GOTSBHOMSA-N 1 3 377.532 3.500 20 0 GHADHO CN1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000497416223 891534848 /nfs/dbraw/zinc/53/48/48/891534848.db2.gz JQJYZIKZXGJVGA-PKTZIBPZSA-N 1 3 377.532 3.500 20 0 GHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243246 891545841 /nfs/dbraw/zinc/54/58/41/891545841.db2.gz KDUXRUIGGZOEQY-QFIPXVFZSA-N 1 3 386.503 3.683 20 0 GHADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242867 891545891 /nfs/dbraw/zinc/54/58/91/891545891.db2.gz HBOOQUUVCNWEOF-FQEVSTJZSA-N 1 3 397.910 3.691 20 0 GHADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000571825499 891591098 /nfs/dbraw/zinc/59/10/98/891591098.db2.gz RPOSXROKBSBMOG-CWKRKGSWSA-N 1 3 398.591 3.708 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000128716782 892323352 /nfs/dbraw/zinc/32/33/52/892323352.db2.gz NMFSITGBTAYJKV-IBGZPJMESA-N 1 3 390.572 3.540 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000128716782 892323369 /nfs/dbraw/zinc/32/33/69/892323369.db2.gz NMFSITGBTAYJKV-IBGZPJMESA-N 1 3 390.572 3.540 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3OC3CCCCC3)CC2)CC1 ZINC000162475573 892578290 /nfs/dbraw/zinc/57/82/90/892578290.db2.gz DKJNOOGKPHWXFU-UHFFFAOYSA-N 1 3 399.579 3.687 20 0 GHADHO C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508721213 892969696 /nfs/dbraw/zinc/96/96/96/892969696.db2.gz ULXSDISZBYXZNN-URXFXBBRSA-N 1 3 388.559 3.974 20 0 GHADHO C[NH+](C)CC1CCN(C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815018572 893342971 /nfs/dbraw/zinc/34/29/71/893342971.db2.gz UFGQFQWMANLNED-QGZVFWFLSA-N 1 3 389.765 3.584 20 0 GHADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934380 893439967 /nfs/dbraw/zinc/43/99/67/893439967.db2.gz HYFSCTQJNDNTEM-LAUBAEHRSA-N 1 3 387.568 3.752 20 0 GHADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934380 893440260 /nfs/dbraw/zinc/44/02/60/893440260.db2.gz HYFSCTQJNDNTEM-LAUBAEHRSA-N 1 3 387.568 3.752 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N([C@H](C)c3ccccc3)C3CC3)CC2)CC1 ZINC000563372829 893673940 /nfs/dbraw/zinc/67/39/40/893673940.db2.gz CVRQYZVMDIPVMK-LJQANCHMSA-N 1 3 383.580 3.935 20 0 GHADHO Cc1cc(F)ccc1[C@@H](C)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000815578373 894015269 /nfs/dbraw/zinc/01/52/69/894015269.db2.gz NCAKFSQXAVWJSS-XLIONFOSSA-N 1 3 383.511 3.682 20 0 GHADHO Cc1cc(F)ccc1[C@@H](C)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000815578373 894015287 /nfs/dbraw/zinc/01/52/87/894015287.db2.gz NCAKFSQXAVWJSS-XLIONFOSSA-N 1 3 383.511 3.682 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C(C)C)c4ccccc43)CC2)CC1 ZINC000565200899 895458364 /nfs/dbraw/zinc/45/83/64/895458364.db2.gz ZDWUSKYSELCCFO-QFIPXVFZSA-N 1 3 383.580 3.969 20 0 GHADHO O=C1CCCCN1c1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817894541 895952342 /nfs/dbraw/zinc/95/23/42/895952342.db2.gz MAUQWMGQXGSSCN-URXFXBBRSA-N 1 3 391.515 3.549 20 0 GHADHO N[C@@H](CCC[NH3+])Nc1c2cccc1CCc1cc(ccc1Br)CC2 ZINC001170902546 896166541 /nfs/dbraw/zinc/16/65/41/896166541.db2.gz FSNUUQIJNGIKNC-LJQANCHMSA-N 1 3 388.353 3.769 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000818959479 896295979 /nfs/dbraw/zinc/29/59/79/896295979.db2.gz LKHFXRWKGCLNIN-JPYJTQIMSA-N 1 3 398.547 3.759 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000818959479 896295991 /nfs/dbraw/zinc/29/59/91/896295991.db2.gz LKHFXRWKGCLNIN-JPYJTQIMSA-N 1 3 398.547 3.759 20 0 GHADHO CCNc1ccc(Cl)cc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566451356 896320736 /nfs/dbraw/zinc/32/07/36/896320736.db2.gz RUFWHRQUSVUKJJ-UHFFFAOYSA-N 1 3 392.975 3.907 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000818969084 896329522 /nfs/dbraw/zinc/32/95/22/896329522.db2.gz KQCDMRLMSRNDKM-CQSZACIVSA-N 1 3 375.340 3.586 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000566792337 896577336 /nfs/dbraw/zinc/57/73/36/896577336.db2.gz SUZBAVGKZDPCFL-NZQKXSOJSA-N 1 3 382.548 3.858 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C[C@H](C)O1 ZINC000796278510 914096966 /nfs/dbraw/zinc/09/69/66/914096966.db2.gz BFYCOWNFZATXNT-OKILXGFUSA-N 1 3 385.339 3.620 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccc(C)cn3)C2)s1 ZINC000567239668 896997505 /nfs/dbraw/zinc/99/75/05/896997505.db2.gz XUUYVOHZVKCJID-GOSISDBHSA-N 1 3 386.565 3.542 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccc(C)cn3)C2)s1 ZINC000567239668 896997510 /nfs/dbraw/zinc/99/75/10/896997510.db2.gz XUUYVOHZVKCJID-GOSISDBHSA-N 1 3 386.565 3.542 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC1 ZINC000824142137 899407905 /nfs/dbraw/zinc/40/79/05/899407905.db2.gz KEPOORIKEWSCKU-LJQANCHMSA-N 1 3 393.531 3.828 20 0 GHADHO FC(F)COc1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000886160383 900850919 /nfs/dbraw/zinc/85/09/19/900850919.db2.gz RFTWINUJOSNUQL-UHFFFAOYSA-N 1 3 375.463 3.727 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844505627 900952262 /nfs/dbraw/zinc/95/22/62/900952262.db2.gz CPSARZIFHXEOLP-VYCZESIESA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844505627 900952275 /nfs/dbraw/zinc/95/22/75/900952275.db2.gz CPSARZIFHXEOLP-VYCZESIESA-N 1 3 396.453 3.877 20 0 GHADHO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886500372 901084269 /nfs/dbraw/zinc/08/42/69/901084269.db2.gz SGUABAMDRCIGGE-PMOQBDJRSA-N 1 3 393.531 3.527 20 0 GHADHO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)O2)[C@H]1C ZINC000886769040 901262231 /nfs/dbraw/zinc/26/22/31/901262231.db2.gz NXONZCDQWNZYOX-ZUNIMCITSA-N 1 3 384.564 3.602 20 0 GHADHO CN(Cc1cccc(OC(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080987270 901309697 /nfs/dbraw/zinc/30/96/97/901309697.db2.gz AGLMMMMULIKMBZ-UHFFFAOYSA-N 1 3 375.463 3.822 20 0 GHADHO Cc1cc(Br)cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000775016420 914533527 /nfs/dbraw/zinc/53/35/27/914533527.db2.gz NGPRAXOLFNOGAR-HXUWFJFHSA-N 1 3 389.337 3.614 20 0 GHADHO Cc1cc(Br)cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000775016420 914533537 /nfs/dbraw/zinc/53/35/37/914533537.db2.gz NGPRAXOLFNOGAR-HXUWFJFHSA-N 1 3 389.337 3.614 20 0 GHADHO Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000576703103 902203065 /nfs/dbraw/zinc/20/30/65/902203065.db2.gz APZVXDKBWVGYFZ-HLIPFELVSA-N 1 3 378.944 3.719 20 0 GHADHO O=C(CN1CCCC2(CCCCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000600747374 902869581 /nfs/dbraw/zinc/86/95/81/902869581.db2.gz VXHRSMMPDNABSN-UHFFFAOYSA-N 1 3 383.580 3.945 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000600855975 903012195 /nfs/dbraw/zinc/01/21/95/903012195.db2.gz JBZJEYOGKKYABZ-JOCHJYFZSA-N 1 3 386.584 3.606 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000577741971 903147202 /nfs/dbraw/zinc/14/72/02/903147202.db2.gz PDLFQDBHECQOLP-HAFPXEGZSA-N 1 3 397.950 3.595 20 0 GHADHO CCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1OCC ZINC000133160667 903351841 /nfs/dbraw/zinc/35/18/41/903351841.db2.gz GVBMHSFRGZJRRU-ZWKOTPCHSA-N 1 3 376.541 3.636 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(Br)c(C)c3)CC2)CC1 ZINC001171278675 903562771 /nfs/dbraw/zinc/56/27/71/903562771.db2.gz QUNZJGZKFIKFSH-UHFFFAOYSA-N 1 3 394.401 3.750 20 0 GHADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000578363874 903768149 /nfs/dbraw/zinc/76/81/49/903768149.db2.gz WFVJDDNSCCUSIV-HSZRJFAPSA-N 1 3 379.548 3.652 20 0 GHADHO C[C@@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561882 903963985 /nfs/dbraw/zinc/96/39/85/903963985.db2.gz VXBIGUOARINALC-TZIWHRDSSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561882 903963996 /nfs/dbraw/zinc/96/39/96/903963996.db2.gz VXBIGUOARINALC-TZIWHRDSSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000150899474 904039937 /nfs/dbraw/zinc/03/99/37/904039937.db2.gz SWFQMCKFEGZRCL-KRWDZBQOSA-N 1 3 395.551 3.558 20 0 GHADHO CCOC(=O)N1CCC([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000187701217 904826843 /nfs/dbraw/zinc/82/68/43/904826843.db2.gz CFUBUQSGDZJIGF-BBTUJRGHSA-N 1 3 379.589 3.876 20 0 GHADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767184 905002996 /nfs/dbraw/zinc/00/29/96/905002996.db2.gz LHXHGGXOHQUSHQ-MNPDLOSFSA-N 1 3 375.560 3.713 20 0 GHADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767184 905003012 /nfs/dbraw/zinc/00/30/12/905003012.db2.gz LHXHGGXOHQUSHQ-MNPDLOSFSA-N 1 3 375.560 3.713 20 0 GHADHO CC[C@@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171824920 905039273 /nfs/dbraw/zinc/03/92/73/905039273.db2.gz IJBXASUSHUBPMV-BWTSREIZSA-N 1 3 379.589 3.971 20 0 GHADHO CCN1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1=O ZINC001172029459 905264581 /nfs/dbraw/zinc/26/45/81/905264581.db2.gz BKSLMRDZWQADAC-RBZQAINGSA-N 1 3 391.559 3.645 20 0 GHADHO CCN1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1=O ZINC001172029459 905264593 /nfs/dbraw/zinc/26/45/93/905264593.db2.gz BKSLMRDZWQADAC-RBZQAINGSA-N 1 3 391.559 3.645 20 0 GHADHO CCOC(=O)NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172091047 905310253 /nfs/dbraw/zinc/31/02/53/905310253.db2.gz ZXXSHZYVHNXTJZ-ZBYYUNFXSA-N 1 3 385.552 3.783 20 0 GHADHO CCOC(=O)NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172091047 905310269 /nfs/dbraw/zinc/31/02/69/905310269.db2.gz ZXXSHZYVHNXTJZ-ZBYYUNFXSA-N 1 3 385.552 3.783 20 0 GHADHO CCc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cn21 ZINC001172065460 905331458 /nfs/dbraw/zinc/33/14/58/905331458.db2.gz MEAPXJNPIXAPLF-DKUWSORSSA-N 1 3 389.547 3.967 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110465 905355866 /nfs/dbraw/zinc/35/58/66/905355866.db2.gz NJVRAMSHCCUCRT-KJJMTIBFSA-N 1 3 399.579 3.953 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110465 905355880 /nfs/dbraw/zinc/35/58/80/905355880.db2.gz NJVRAMSHCCUCRT-KJJMTIBFSA-N 1 3 399.579 3.953 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@H]21 ZINC001172123309 905381643 /nfs/dbraw/zinc/38/16/43/905381643.db2.gz ZNDUINNQBYODKM-BIWVMFSCSA-N 1 3 382.596 3.629 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@H]21 ZINC001172123309 905381662 /nfs/dbraw/zinc/38/16/62/905381662.db2.gz ZNDUINNQBYODKM-BIWVMFSCSA-N 1 3 382.596 3.629 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000176421435 905842494 /nfs/dbraw/zinc/84/24/94/905842494.db2.gz QPZOHHSFBWLPCT-UHFFFAOYSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172810433 905843401 /nfs/dbraw/zinc/84/34/01/905843401.db2.gz SHZHBEDJGOPRGM-OKCRPCIYSA-N 1 3 385.552 3.790 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172810433 905843414 /nfs/dbraw/zinc/84/34/14/905843414.db2.gz SHZHBEDJGOPRGM-OKCRPCIYSA-N 1 3 385.552 3.790 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001172959658 906067496 /nfs/dbraw/zinc/06/74/96/906067496.db2.gz PKGBSHHANOEPDG-GOSISDBHSA-N 1 3 390.572 3.529 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001173734255 906675313 /nfs/dbraw/zinc/67/53/13/906675313.db2.gz HYQRYUDNYRCOFV-IEXUWNMDSA-N 1 3 392.543 3.858 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001173734255 906675320 /nfs/dbraw/zinc/67/53/20/906675320.db2.gz HYQRYUDNYRCOFV-IEXUWNMDSA-N 1 3 392.543 3.858 20 0 GHADHO NC1(C[NH2+]Cc2ccc(-c3ccccc3Br)cc2)CCOCC1 ZINC000629655626 906932938 /nfs/dbraw/zinc/93/29/38/906932938.db2.gz WUHXBECOEMBTCR-UHFFFAOYSA-N 1 3 375.310 3.714 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)s1 ZINC000182273943 907175697 /nfs/dbraw/zinc/17/56/97/907175697.db2.gz PRRIQXSSIXYGKB-CJNGLKHVSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)s1 ZINC000182273943 907175704 /nfs/dbraw/zinc/17/57/04/907175704.db2.gz PRRIQXSSIXYGKB-CJNGLKHVSA-N 1 3 395.366 3.928 20 0 GHADHO CC[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648146 907788036 /nfs/dbraw/zinc/78/80/36/907788036.db2.gz VZQWLNIWBQICJT-PZJWPPBQSA-N 1 3 384.520 3.511 20 0 GHADHO CC[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648146 907788038 /nfs/dbraw/zinc/78/80/38/907788038.db2.gz VZQWLNIWBQICJT-PZJWPPBQSA-N 1 3 384.520 3.511 20 0 GHADHO C[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000631769980 907839232 /nfs/dbraw/zinc/83/92/32/907839232.db2.gz XZZHZXFOLDCURH-JBYIUTFZSA-N 1 3 392.609 3.826 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(CC)c3ccc(F)cc3)CC2)CC1 ZINC000633793884 908490200 /nfs/dbraw/zinc/49/02/00/908490200.db2.gz KXRNYYXKHFRCIN-HSZRJFAPSA-N 1 3 389.559 3.763 20 0 GHADHO c1nc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)sc1-c1ccccc1 ZINC001177553856 908616838 /nfs/dbraw/zinc/61/68/38/908616838.db2.gz BCOGCFXKQPZTFO-UHFFFAOYSA-N 1 3 393.560 3.507 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@@H]3O)CC1)CCS2 ZINC000191535129 908638703 /nfs/dbraw/zinc/63/87/03/908638703.db2.gz HJIKSFYZDKAHAD-AABGKKOBSA-N 1 3 376.566 3.590 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)Oc2cccc(OC)c2)CC1 ZINC001177929681 908820812 /nfs/dbraw/zinc/82/08/12/908820812.db2.gz ZYDIEMYVKSJCQR-HXUWFJFHSA-N 1 3 397.563 3.784 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000268806984 910025948 /nfs/dbraw/zinc/02/59/48/910025948.db2.gz JPWMGDYXZNYARD-RDPSFJRHSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000268806984 910025967 /nfs/dbraw/zinc/02/59/67/910025967.db2.gz JPWMGDYXZNYARD-RDPSFJRHSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000268806987 910026241 /nfs/dbraw/zinc/02/62/41/910026241.db2.gz JPWMGDYXZNYARD-YKSBVNFPSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000268806987 910026257 /nfs/dbraw/zinc/02/62/57/910026257.db2.gz JPWMGDYXZNYARD-YKSBVNFPSA-N 1 3 391.559 3.809 20 0 GHADHO CC(C)O[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000638721079 910218219 /nfs/dbraw/zinc/21/82/19/910218219.db2.gz WTLWFXIPHKOVSI-XMMPIXPASA-N 1 3 382.548 3.899 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000247438689 911281948 /nfs/dbraw/zinc/28/19/48/911281948.db2.gz XNMFTDKPKWMKET-GUDVDZBRSA-N 1 3 386.584 3.664 20 0 GHADHO O[C@H](CNC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000641915216 911594841 /nfs/dbraw/zinc/59/48/41/911594841.db2.gz WCMOVLPFEZDBOL-XLIONFOSSA-N 1 3 397.950 4.000 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000292273114 915593599 /nfs/dbraw/zinc/59/35/99/915593599.db2.gz UFYIBUXTQWIFJU-IBGZPJMESA-N 1 3 397.563 3.960 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)ccc1OC ZINC000775368662 917183692 /nfs/dbraw/zinc/18/36/92/917183692.db2.gz DGBOTNLWTKLPJY-GOSISDBHSA-N 1 3 384.568 3.963 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001190790640 917566804 /nfs/dbraw/zinc/56/68/04/917566804.db2.gz BHSIHMBCXRYDBC-QHCPKHFHSA-N 1 3 399.579 3.984 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001190790640 917566809 /nfs/dbraw/zinc/56/68/09/917566809.db2.gz BHSIHMBCXRYDBC-QHCPKHFHSA-N 1 3 399.579 3.984 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000652362914 917882971 /nfs/dbraw/zinc/88/29/71/917882971.db2.gz SPPZQFKQVIATQE-MZYLBHOOSA-N 1 3 393.531 3.800 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000653113487 918130337 /nfs/dbraw/zinc/13/03/37/918130337.db2.gz CVZQWCYLMBMXHT-WMZOPIPTSA-N 1 3 385.474 3.594 20 0 GHADHO C[C@@H](NCc1cccc(NS(=O)(=O)C2CC2)c1)c1cccc(C[NH+](C)C)c1 ZINC000903425336 923015965 /nfs/dbraw/zinc/01/59/65/923015965.db2.gz AUJHDRZAVZXLKH-MRXNPFEDSA-N 1 3 387.549 3.503 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000903761663 923265814 /nfs/dbraw/zinc/26/58/14/923265814.db2.gz ZAQCKTMWSOTXOD-GGAORHGYSA-N 1 3 399.510 3.615 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000410335934 925541078 /nfs/dbraw/zinc/54/10/78/925541078.db2.gz BBYAFVLUVYNPIX-HXUWFJFHSA-N 1 3 388.600 3.790 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000410335934 925541085 /nfs/dbraw/zinc/54/10/85/925541085.db2.gz BBYAFVLUVYNPIX-HXUWFJFHSA-N 1 3 388.600 3.790 20 0 GHADHO CC[C@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000411888291 926894434 /nfs/dbraw/zinc/89/44/34/926894434.db2.gz QKVBVBWDLTXXNT-QHCPKHFHSA-N 1 3 379.548 3.817 20 0 GHADHO CCCn1nc(C)c(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1C ZINC000374286775 926982237 /nfs/dbraw/zinc/98/22/37/926982237.db2.gz ZMSPXTYWFRRSPJ-UHFFFAOYSA-N 1 3 389.632 3.538 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(Cl)c2o1 ZINC000753292750 929289495 /nfs/dbraw/zinc/28/94/95/929289495.db2.gz AESPDOBWBWKIBC-INIZCTEOSA-N 1 3 377.916 3.574 20 0 GHADHO C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469761512 930143549 /nfs/dbraw/zinc/14/35/49/930143549.db2.gz BELQTWOGGOUUOU-UGCAPWQASA-N 1 3 393.575 3.952 20 0 GHADHO C[C@](O)(CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000781422886 930838691 /nfs/dbraw/zinc/83/86/91/930838691.db2.gz QDMAWCSGVDWEFU-QVGHQYEOSA-N 1 3 382.523 3.924 20 0 GHADHO C[C@](O)(CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000781422886 930838697 /nfs/dbraw/zinc/83/86/97/930838697.db2.gz QDMAWCSGVDWEFU-QVGHQYEOSA-N 1 3 382.523 3.924 20 0 GHADHO CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470755569 930885391 /nfs/dbraw/zinc/88/53/91/930885391.db2.gz MPCBXBURHFYSAS-HXUWFJFHSA-N 1 3 386.584 3.602 20 0 GHADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000470757996 930888279 /nfs/dbraw/zinc/88/82/79/930888279.db2.gz VEWOQFLEFJDREW-RZUBCFFCSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000470757996 930888283 /nfs/dbraw/zinc/88/82/83/930888283.db2.gz VEWOQFLEFJDREW-RZUBCFFCSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000470757995 930888418 /nfs/dbraw/zinc/88/84/18/930888418.db2.gz VEWOQFLEFJDREW-KCZVDYSFSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000470757995 930888420 /nfs/dbraw/zinc/88/84/20/930888420.db2.gz VEWOQFLEFJDREW-KCZVDYSFSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)CC2)C[C@@H](C)O1 ZINC000470769896 930896898 /nfs/dbraw/zinc/89/68/98/930896898.db2.gz VDSRBAGEMRUDMG-FHAGJXEFSA-N 1 3 396.575 3.564 20 0 GHADHO CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470892461 931006231 /nfs/dbraw/zinc/00/62/31/931006231.db2.gz RZTUVMVQVCBTHB-RTWAWAEBSA-N 1 3 388.600 3.659 20 0 GHADHO Cc1nc(-c2cc([C@H](C)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)cs2)cs1 ZINC000925855409 931923488 /nfs/dbraw/zinc/92/34/88/931923488.db2.gz UTJCVHTZBDIVFF-WFASDCNBSA-N 1 3 391.562 3.516 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000796797351 932071360 /nfs/dbraw/zinc/07/13/60/932071360.db2.gz UHQXIBFXIGUDAA-ZJZGAYNASA-N 1 3 380.532 3.761 20 0 GHADHO C[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976828 932132576 /nfs/dbraw/zinc/13/25/76/932132576.db2.gz FPCKUFLOTGDZMU-XXBNENTESA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976828 932132582 /nfs/dbraw/zinc/13/25/82/932132582.db2.gz FPCKUFLOTGDZMU-XXBNENTESA-N 1 3 375.520 3.830 20 0 GHADHO C[C@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976824 932133282 /nfs/dbraw/zinc/13/32/82/932133282.db2.gz FPCKUFLOTGDZMU-CVDCTZTESA-N 1 3 375.520 3.830 20 0 GHADHO C[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976824 932133288 /nfs/dbraw/zinc/13/32/88/932133288.db2.gz FPCKUFLOTGDZMU-CVDCTZTESA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000927036295 932385620 /nfs/dbraw/zinc/38/56/20/932385620.db2.gz HCDBSWPOIAHCOJ-CSZIGFGKSA-N 1 3 388.556 3.908 20 0 GHADHO O=C(CN1CCCCCCC1)Nc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000777663143 932750176 /nfs/dbraw/zinc/75/01/76/932750176.db2.gz AWZBDQOOHITWLE-FGZHOGPDSA-N 1 3 384.568 3.930 20 0 GHADHO O=C(CN1CCCCCCC1)Nc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000777663143 932750179 /nfs/dbraw/zinc/75/01/79/932750179.db2.gz AWZBDQOOHITWLE-FGZHOGPDSA-N 1 3 384.568 3.930 20 0 GHADHO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177055 932898123 /nfs/dbraw/zinc/89/81/23/932898123.db2.gz JNVDDHUPHYQJAQ-INIZCTEOSA-N 1 3 395.950 3.634 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1(C)C ZINC000799726307 933100708 /nfs/dbraw/zinc/10/07/08/933100708.db2.gz NBCHLNBROKEMMB-GOSISDBHSA-N 1 3 383.552 3.994 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)c2)CC1 ZINC001116373362 933515755 /nfs/dbraw/zinc/51/57/55/933515755.db2.gz CGKBWJHNDTWRIG-ILBGXUMGSA-N 1 3 393.575 3.692 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CCC2(CNC(=O)C2)CC1)c1ccccc1 ZINC000929762411 933620041 /nfs/dbraw/zinc/62/00/41/933620041.db2.gz ILNTUDLJLLFBOT-QHCPKHFHSA-N 1 3 391.559 3.504 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](CN1CCC2(CNC(=O)C2)CC1)c1ccccc1 ZINC000929762411 933620045 /nfs/dbraw/zinc/62/00/45/933620045.db2.gz ILNTUDLJLLFBOT-QHCPKHFHSA-N 1 3 391.559 3.504 20 0 GHADHO O=C(CN1CCCC2(CC[NH2+]CC2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC001118198605 934105952 /nfs/dbraw/zinc/10/59/52/934105952.db2.gz QJKAHDRZLJWRSL-HSZRJFAPSA-N 1 3 391.559 3.552 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)ccn1 ZINC000931095530 934375104 /nfs/dbraw/zinc/37/51/04/934375104.db2.gz WIFPRFQSHZDHGC-QLIIJSOBSA-N 1 3 379.495 3.666 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)ccn1 ZINC000931095530 934375114 /nfs/dbraw/zinc/37/51/14/934375114.db2.gz WIFPRFQSHZDHGC-QLIIJSOBSA-N 1 3 379.495 3.666 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001121997787 934800419 /nfs/dbraw/zinc/80/04/19/934800419.db2.gz IBXKOVUFARZNIV-HSZRJFAPSA-N 1 3 395.572 3.522 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001121997787 934800423 /nfs/dbraw/zinc/80/04/23/934800423.db2.gz IBXKOVUFARZNIV-HSZRJFAPSA-N 1 3 395.572 3.522 20 0 GHADHO CN1Cc2c(NC(=O)[C@@H]3C[NH+]4CCC3CC4)cccc2[C@H](c2ccccc2)C1 ZINC001182012561 1014968318 /nfs/dbraw/zinc/96/83/18/1014968318.db2.gz ZBMIWGTUOCUMJA-LEWJYISDSA-N 1 3 375.516 3.544 20 0 GHADHO C[C@@H]1C[C@H](CCN[C@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000545473501 1015913346 /nfs/dbraw/zinc/91/33/46/1015913346.db2.gz MICQQFUDTAQABN-PIPMEXSNSA-N 1 3 399.966 3.627 20 0 GHADHO C[C@@H]1C[C@H](CCN[C@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000545473501 1015913348 /nfs/dbraw/zinc/91/33/48/1015913348.db2.gz MICQQFUDTAQABN-PIPMEXSNSA-N 1 3 399.966 3.627 20 0 GHADHO N[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Cl)cc1Cl ZINC001220919152 1032190939 /nfs/dbraw/zinc/19/09/39/1032190939.db2.gz VUZUEEXDRZVMNG-RDTXWAMCSA-N 1 3 384.351 3.907 20 0 GHADHO N[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1Cl ZINC001220919152 1032190944 /nfs/dbraw/zinc/19/09/44/1032190944.db2.gz VUZUEEXDRZVMNG-RDTXWAMCSA-N 1 3 384.351 3.907 20 0 GHADHO Cc1ccc(C[C@H](N)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)c1 ZINC001221010846 1032235020 /nfs/dbraw/zinc/23/50/20/1032235020.db2.gz RQMQWFOETJQIND-GOTSBHOMSA-N 1 3 393.575 3.590 20 0 GHADHO Cc1ccc(C[C@H](N)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)c1 ZINC001221010846 1032235031 /nfs/dbraw/zinc/23/50/31/1032235031.db2.gz RQMQWFOETJQIND-GOTSBHOMSA-N 1 3 393.575 3.590 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc([C@@H]2CCCN2)n1 ZINC001221012824 1032236186 /nfs/dbraw/zinc/23/61/86/1032236186.db2.gz CEKVIUWQOZPREK-PKOBYXMFSA-N 1 3 398.576 3.598 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc([C@@H]2CCCN2)n1 ZINC001221012824 1032236199 /nfs/dbraw/zinc/23/61/99/1032236199.db2.gz CEKVIUWQOZPREK-PKOBYXMFSA-N 1 3 398.576 3.598 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001221062942 1032262323 /nfs/dbraw/zinc/26/23/23/1032262323.db2.gz GJFIPLJQSSCJCV-DEOSSOPVSA-N 1 3 391.559 3.623 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001204265587 1032708856 /nfs/dbraw/zinc/70/88/56/1032708856.db2.gz IVONKIGGQSAKBM-UHFFFAOYSA-N 1 3 391.556 3.506 20 0 GHADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000560527218 1017653090 /nfs/dbraw/zinc/65/30/90/1017653090.db2.gz AUJBXJIBFTXROS-DNVJHFABSA-N 1 3 383.580 3.669 20 0 GHADHO CN(CCCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)Cc1ccco1 ZINC000562162167 1018058435 /nfs/dbraw/zinc/05/84/35/1018058435.db2.gz QAHYFYVQYJBVCG-QFIPXVFZSA-N 1 3 398.551 3.580 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000562463258 1018178620 /nfs/dbraw/zinc/17/86/20/1018178620.db2.gz YSTMANFZSNHSOB-DEOSSOPVSA-N 1 3 393.575 4.000 20 0 GHADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001228120470 1032796877 /nfs/dbraw/zinc/79/68/77/1032796877.db2.gz VXWVQFQFXPUGFD-JOCHJYFZSA-N 1 3 386.584 3.559 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccccc3F)C2)s1 ZINC000567994360 1019365991 /nfs/dbraw/zinc/36/59/91/1019365991.db2.gz KPTBXYLZAWCQRG-KRWDZBQOSA-N 1 3 389.540 3.978 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccccc3F)C2)s1 ZINC000567994360 1019365998 /nfs/dbraw/zinc/36/59/98/1019365998.db2.gz KPTBXYLZAWCQRG-KRWDZBQOSA-N 1 3 389.540 3.978 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000576816460 1020071332 /nfs/dbraw/zinc/07/13/32/1020071332.db2.gz WCLZRTUUSAQGMW-OAHLLOKOSA-N 1 3 375.340 3.586 20 0 GHADHO C[C@H]1C[C@@H]1c1noc(CC2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC000651954757 1021212460 /nfs/dbraw/zinc/21/24/60/1021212460.db2.gz TXNAKWQMKGOIIS-UWJYYQICSA-N 1 3 398.551 3.588 20 0 GHADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nc(Br)cs1 ZINC000834571340 1021275829 /nfs/dbraw/zinc/27/58/29/1021275829.db2.gz QYFGBNBMIYGOFQ-CYBMUJFWSA-N 1 3 398.370 3.739 20 0 GHADHO Cc1ccc2n[nH]c(C[N@H+]3C[C@@H]4CCC[C@H](N(C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330599 1021422280 /nfs/dbraw/zinc/42/22/80/1021422280.db2.gz GWRFRCYGPORMFE-VNZMSGEBSA-N 1 3 389.547 3.999 20 0 GHADHO Cc1ccc2n[nH]c(C[N@@H+]3C[C@@H]4CCC[C@H](N(C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330599 1021422287 /nfs/dbraw/zinc/42/22/87/1021422287.db2.gz GWRFRCYGPORMFE-VNZMSGEBSA-N 1 3 389.547 3.999 20 0 GHADHO c1csc([C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455018 1021603527 /nfs/dbraw/zinc/60/35/27/1021603527.db2.gz HBZFRXMDJGFMAK-PXCRPINLSA-N 1 3 393.560 3.846 20 0 GHADHO c1csc([C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455018 1021603540 /nfs/dbraw/zinc/60/35/40/1021603540.db2.gz HBZFRXMDJGFMAK-PXCRPINLSA-N 1 3 393.560 3.846 20 0 GHADHO C[C@H](CCCCO)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000679332274 1021988398 /nfs/dbraw/zinc/98/83/98/1021988398.db2.gz SRFZZKWYVPUWPG-OAQYLSRUSA-N 1 3 381.564 3.650 20 0 GHADHO CC(C)NC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001140619578 1022089074 /nfs/dbraw/zinc/08/90/74/1022089074.db2.gz YCNYUHBJKQLUDJ-QFIPXVFZSA-N 1 3 379.548 3.779 20 0 GHADHO CC(C)NC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001140619578 1022089084 /nfs/dbraw/zinc/08/90/84/1022089084.db2.gz YCNYUHBJKQLUDJ-QFIPXVFZSA-N 1 3 379.548 3.779 20 0 GHADHO COC(=O)Cc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001140653726 1022168275 /nfs/dbraw/zinc/16/82/75/1022168275.db2.gz AOAPODKAYRLZBU-RUZDIDTESA-N 1 3 392.543 3.890 20 0 GHADHO COC(=O)Cc1ccccc1C[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001140653726 1022168288 /nfs/dbraw/zinc/16/82/88/1022168288.db2.gz AOAPODKAYRLZBU-RUZDIDTESA-N 1 3 392.543 3.890 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCN(CC2CCCCC2)CC1 ZINC001204863162 1033128968 /nfs/dbraw/zinc/12/89/68/1033128968.db2.gz FLRCBJJXVXNQQG-UHFFFAOYSA-N 1 3 376.614 3.616 20 0 GHADHO Cc1cc(Cl)ccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001141228695 1024214960 /nfs/dbraw/zinc/21/49/60/1024214960.db2.gz JPUWMOQPKVBZQH-NHCUHLMSSA-N 1 3 389.971 3.556 20 0 GHADHO c1cc(N2CCCCC2)oc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001138171277 1024291718 /nfs/dbraw/zinc/29/17/18/1024291718.db2.gz ZBLACWXACAPCMV-UHFFFAOYSA-N 1 3 375.557 3.594 20 0 GHADHO Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc(Cl)n1 ZINC000831933458 1025035164 /nfs/dbraw/zinc/03/51/64/1025035164.db2.gz JBKNOTZFOLLPCU-IRXDYDNUSA-N 1 3 395.334 3.506 20 0 GHADHO Cc1n[nH]c(C)c1CN1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139102498 1025911985 /nfs/dbraw/zinc/91/19/85/1025911985.db2.gz MXIYXGCNXGOHEK-UHFFFAOYSA-N 1 3 382.552 3.672 20 0 GHADHO COc1ccc(OC)c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1N ZINC001139277237 1026126069 /nfs/dbraw/zinc/12/60/69/1026126069.db2.gz PMKWXAIGYUAJDS-VQTJNVASSA-N 1 3 395.547 3.630 20 0 GHADHO COc1ccc(OC)c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1N ZINC001139277237 1026126079 /nfs/dbraw/zinc/12/60/79/1026126079.db2.gz PMKWXAIGYUAJDS-VQTJNVASSA-N 1 3 395.547 3.630 20 0 GHADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304876 1026157851 /nfs/dbraw/zinc/15/78/51/1026157851.db2.gz RHJXSOXGGHJYPW-LJQANCHMSA-N 1 3 377.941 3.903 20 0 GHADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304876 1026157858 /nfs/dbraw/zinc/15/78/58/1026157858.db2.gz RHJXSOXGGHJYPW-LJQANCHMSA-N 1 3 377.941 3.903 20 0 GHADHO COC(=O)c1cc(CN2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cn1C ZINC001139376406 1026247526 /nfs/dbraw/zinc/24/75/26/1026247526.db2.gz QSYQXPCAWKVHLB-UHFFFAOYSA-N 1 3 395.547 3.690 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)o1 ZINC001204391272 1026575118 /nfs/dbraw/zinc/57/51/18/1026575118.db2.gz PJBCWSKPRYNZAR-FQEVSTJZSA-N 1 3 383.536 3.740 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)o1 ZINC001204391272 1026575131 /nfs/dbraw/zinc/57/51/31/1026575131.db2.gz PJBCWSKPRYNZAR-FQEVSTJZSA-N 1 3 383.536 3.740 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccc(N(C)C)cc2)CC1 ZINC001461129233 1069405125 /nfs/dbraw/zinc/40/51/25/1069405125.db2.gz QJTPMHZABWWBHW-UHFFFAOYSA-N 1 3 380.580 3.617 20 0 GHADHO CC(C)N(Cc1ccc2n1CCN(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC001139926858 1026735740 /nfs/dbraw/zinc/73/57/40/1026735740.db2.gz BWFSZOCVCDUSCP-UHFFFAOYSA-N 1 3 390.572 3.543 20 0 GHADHO Fc1cccc(N(c2cc(N3CCCC3)ccn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001165474316 1026736769 /nfs/dbraw/zinc/73/67/69/1026736769.db2.gz FWDJVHYWACHYHZ-GGAORHGYSA-N 1 3 396.510 3.870 20 0 GHADHO Cn1ncc2cc(CN3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC001139957183 1026761497 /nfs/dbraw/zinc/76/14/97/1026761497.db2.gz DTRYIBDWCPDJAA-IVGWJTKZSA-N 1 3 376.548 3.968 20 0 GHADHO Cn1ncc2cc(CN3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC001139957183 1026761506 /nfs/dbraw/zinc/76/15/06/1026761506.db2.gz DTRYIBDWCPDJAA-IVGWJTKZSA-N 1 3 376.548 3.968 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171679 1069424438 /nfs/dbraw/zinc/42/44/38/1069424438.db2.gz OSBMRNCOFKWTFY-CABCVRRESA-N 1 3 381.483 3.542 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171679 1069424440 /nfs/dbraw/zinc/42/44/40/1069424440.db2.gz OSBMRNCOFKWTFY-CABCVRRESA-N 1 3 381.483 3.542 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171679 1069424444 /nfs/dbraw/zinc/42/44/44/1069424444.db2.gz OSBMRNCOFKWTFY-CABCVRRESA-N 1 3 381.483 3.542 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000183099917 1029240627 /nfs/dbraw/zinc/24/06/27/1029240627.db2.gz IWOQUABQHVTPOL-QYZOEREBSA-N 1 3 379.589 3.876 20 0 GHADHO COc1ccc([C@H](CN)C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000842471808 1029312604 /nfs/dbraw/zinc/31/26/04/1029312604.db2.gz BBVIVVPRRADXQC-KNQAVFIVSA-N 1 3 388.939 3.837 20 0 GHADHO COC(=O)Cc1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001142910537 1029675586 /nfs/dbraw/zinc/67/55/86/1029675586.db2.gz CNGVNGRCKDWCJW-UHFFFAOYSA-N 1 3 378.516 3.500 20 0 GHADHO c1sc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c2c1OCCO2 ZINC001143191265 1029895173 /nfs/dbraw/zinc/89/51/73/1029895173.db2.gz ZAXPVLOHGPISDO-XKGFGPFHSA-N 1 3 386.561 3.914 20 0 GHADHO c1sc(C[N@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c2c1OCCO2 ZINC001143191265 1029895188 /nfs/dbraw/zinc/89/51/88/1029895188.db2.gz ZAXPVLOHGPISDO-XKGFGPFHSA-N 1 3 386.561 3.914 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cc3cccnc3[nH]1)CC2 ZINC001143215136 1029918552 /nfs/dbraw/zinc/91/85/52/1029918552.db2.gz XHUZLZVSQVWHJL-LJQANCHMSA-N 1 3 396.560 3.880 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cc3cccnc3[nH]1)CC2 ZINC001143215136 1029918554 /nfs/dbraw/zinc/91/85/54/1029918554.db2.gz XHUZLZVSQVWHJL-LJQANCHMSA-N 1 3 396.560 3.880 20 0 GHADHO Brc1cc(CN2CCC3(CC2)C[NH2+]CCO3)cc2ccccc12 ZINC001222211317 1030008921 /nfs/dbraw/zinc/00/89/21/1030008921.db2.gz IMVBXTGCTVOXTJ-UHFFFAOYSA-N 1 3 375.310 3.557 20 0 GHADHO CCOC(=O)[C@H]1CC2(CN1CC[C@@H](C)CCCC(C)(C)OC)CC[NH2+]CC2 ZINC001222215385 1030012031 /nfs/dbraw/zinc/01/20/31/1030012031.db2.gz DGMSBQJPMPVMIA-RBUKOAKNSA-N 1 3 382.589 3.615 20 0 GHADHO C[NH+](C)CCN1CC[C@@]2(CCCN2Cc2cc(-c3ccsc3)cs2)C1=O ZINC001276907007 1030674197 /nfs/dbraw/zinc/67/41/97/1030674197.db2.gz QEZLHTIAUZSGSQ-FQEVSTJZSA-N 1 3 389.590 3.605 20 0 GHADHO CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001223843395 1030775681 /nfs/dbraw/zinc/77/56/81/1030775681.db2.gz IXMBBLSYRBUKOR-KJXAQDMKSA-N 1 3 398.595 3.698 20 0 GHADHO CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001223843395 1030775697 /nfs/dbraw/zinc/77/56/97/1030775697.db2.gz IXMBBLSYRBUKOR-KJXAQDMKSA-N 1 3 398.595 3.698 20 0 GHADHO C[C@@H](CNC(=O)NCCNC(c1ccccc1)c1ccccc1)[NH+]1CCCCC1 ZINC001224178774 1030914398 /nfs/dbraw/zinc/91/43/98/1030914398.db2.gz WMHAOOQMHRXSTC-FQEVSTJZSA-N 1 3 394.563 3.539 20 0 GHADHO Cc1cccc2c1C1(C[C@@H]2CC(=O)Nc2cccc3c2CNC3)CC[NH2+]CC1 ZINC001218995463 1031201153 /nfs/dbraw/zinc/20/11/53/1031201153.db2.gz WVBGFOUNRYTVQH-SFHVURJKSA-N 1 3 375.516 3.736 20 0 GHADHO C[N@H+](Cc1ccccc1NC(=O)c1ccc2c(n1)CCNC2)C1CCCCC1 ZINC001219025273 1031218888 /nfs/dbraw/zinc/21/88/88/1031218888.db2.gz DAJGHSDQVWPYCQ-UHFFFAOYSA-N 1 3 378.520 3.744 20 0 GHADHO C[N@@H+](Cc1ccccc1NC(=O)c1ccc2c(n1)CCNC2)C1CCCCC1 ZINC001219025273 1031218898 /nfs/dbraw/zinc/21/88/98/1031218898.db2.gz DAJGHSDQVWPYCQ-UHFFFAOYSA-N 1 3 378.520 3.744 20 0 GHADHO CN1Cc2c(NC(=O)C[C@@H]([NH3+])COC(C)(C)C)cccc2[C@H](c2ccccc2)C1 ZINC001219046853 1031228138 /nfs/dbraw/zinc/22/81/38/1031228138.db2.gz KNPUUERVMSZISG-QUCCMNQESA-N 1 3 395.547 3.735 20 0 GHADHO CN1Cc2c(NC(=O)[C@@]3(C)CC(C)(C)C[NH2+]3)cccc2[C@H](c2ccccc2)C1 ZINC001219047106 1031229539 /nfs/dbraw/zinc/22/95/39/1031229539.db2.gz QBGUVPQEVUWILA-YADARESESA-N 1 3 377.532 3.981 20 0 GHADHO CC[C@@]1(C(=O)Nc2cccc3c2CN(C)C[C@H]3c2ccccc2)CCC[NH2+]C1 ZINC001219047052 1031229823 /nfs/dbraw/zinc/22/98/23/1031229823.db2.gz PAYAFRZWSROTMU-GBXCKJPGSA-N 1 3 377.532 3.982 20 0 GHADHO COc1ncc(Br)cc1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC001461761823 1069731133 /nfs/dbraw/zinc/73/11/33/1069731133.db2.gz WNYKBXZJQRUOSI-UHFFFAOYSA-N 1 3 382.346 3.739 20 0 GHADHO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)[C@@H](N)CCCC[NH+](C)C)c1 ZINC001219495663 1031460489 /nfs/dbraw/zinc/46/04/89/1031460489.db2.gz XMXLXEJHKGNCRW-FQEVSTJZSA-N 1 3 381.520 3.532 20 0 GHADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)c1 ZINC001219943779 1031710030 /nfs/dbraw/zinc/71/00/30/1031710030.db2.gz YTKBSBJYBUBBSB-XMMPIXPASA-N 1 3 387.527 3.601 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001219999450 1031738890 /nfs/dbraw/zinc/73/88/90/1031738890.db2.gz UCRAFRNIZFOVMJ-UKILVPOCSA-N 1 3 391.559 3.552 20 0 GHADHO CN(Cc1ccc(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)nc1)C1CC1 ZINC001157084104 1033406276 /nfs/dbraw/zinc/40/62/76/1033406276.db2.gz UOJYFPYETIFTIM-UHFFFAOYSA-N 1 3 382.527 3.916 20 0 GHADHO CN(Cc1ccc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)nc1)C1CC1 ZINC001157084104 1033406280 /nfs/dbraw/zinc/40/62/80/1033406280.db2.gz UOJYFPYETIFTIM-UHFFFAOYSA-N 1 3 382.527 3.916 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)N(C)C)cc1 ZINC001229622699 1033600072 /nfs/dbraw/zinc/60/00/72/1033600072.db2.gz VSDBSOWCGVGBRB-NRFANRHFSA-N 1 3 388.600 3.614 20 0 GHADHO C[C@H]1CN(Cc2cc(OC(F)F)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206024129 1033691359 /nfs/dbraw/zinc/69/13/59/1033691359.db2.gz HXHUVTIDHHYNSZ-RYUDHWBXSA-N 1 3 377.273 3.857 20 0 GHADHO N[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@@H]1F ZINC001206200882 1033761490 /nfs/dbraw/zinc/76/14/90/1033761490.db2.gz UCJAMYKYKLGNGA-DLBZAZTESA-N 1 3 383.389 3.908 20 0 GHADHO N[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@@H]1F ZINC001206200882 1033761510 /nfs/dbraw/zinc/76/15/10/1033761510.db2.gz UCJAMYKYKLGNGA-DLBZAZTESA-N 1 3 383.389 3.908 20 0 GHADHO CCSc1ncc2cccc(CN3CCC(C[NH3+])(c4ccccc4)CC3)n21 ZINC001206760558 1033973712 /nfs/dbraw/zinc/97/37/12/1033973712.db2.gz JKNWXCACBMUPRB-UHFFFAOYSA-N 1 3 380.561 3.939 20 0 GHADHO CN1CCC(N(c2c(Cl)ncc(Cl)c2Cl)C2CC[NH2+]CC2)CC1 ZINC001158581002 1034166725 /nfs/dbraw/zinc/16/67/25/1034166725.db2.gz MKFODSSUIQWNDF-UHFFFAOYSA-N 1 3 377.747 3.694 20 0 GHADHO Cc1c[nH+]ccc1N1CCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001207224502 1034191555 /nfs/dbraw/zinc/19/15/55/1034191555.db2.gz TZDRQKMMIHQLGQ-UHFFFAOYSA-N 1 3 388.556 3.549 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1ccccc1F)CC2 ZINC001207499057 1034403904 /nfs/dbraw/zinc/40/39/04/1034403904.db2.gz QOYVSPMEHLOSQQ-JOCHJYFZSA-N 1 3 397.538 3.766 20 0 GHADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001207671041 1034521960 /nfs/dbraw/zinc/52/19/60/1034521960.db2.gz QYQJPISDOYLWPV-CEMLEFRQSA-N 1 3 380.617 3.777 20 0 GHADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001207671041 1034521970 /nfs/dbraw/zinc/52/19/70/1034521970.db2.gz QYQJPISDOYLWPV-CEMLEFRQSA-N 1 3 380.617 3.777 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cnc(-c4ccco4)cn3)c3ccccc23)CC1 ZINC001159460228 1034606517 /nfs/dbraw/zinc/60/65/17/1034606517.db2.gz FXWMZZCEOMZULT-UHFFFAOYSA-N 1 3 387.487 3.646 20 0 GHADHO CCc1ncnc(Cl)c1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159460762 1034606535 /nfs/dbraw/zinc/60/65/35/1034606535.db2.gz ZVEORCZNVLECCP-UHFFFAOYSA-N 1 3 383.927 3.602 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cccnc13)CC2 ZINC001231488979 1034632873 /nfs/dbraw/zinc/63/28/73/1034632873.db2.gz OEPOBQIRISSREN-SFHVURJKSA-N 1 3 396.560 3.880 20 0 GHADHO COCCCOc1ccc(CN2CCC(C3CC[NH+](C)CC3)CC2)cc1OC ZINC001231542190 1034695590 /nfs/dbraw/zinc/69/55/90/1034695590.db2.gz COKFLDUJRPXUIE-UHFFFAOYSA-N 1 3 390.568 3.664 20 0 GHADHO CCN1CCN(c2ccc(Nc3ccc(O[C@@H]4CCC[NH2+]C4)cc3)cc2)CC1 ZINC001159948121 1034796702 /nfs/dbraw/zinc/79/67/02/1034796702.db2.gz DWMHLTOMAIDUHZ-HSZRJFAPSA-N 1 3 380.536 3.703 20 0 GHADHO N[C@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC001160460880 1034981819 /nfs/dbraw/zinc/98/18/19/1034981819.db2.gz GDXUJJKFJSZNCB-MAUKXSAKSA-N 1 3 384.351 3.860 20 0 GHADHO COc1ccc(CC[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1OC ZINC001208760010 1035004201 /nfs/dbraw/zinc/00/42/01/1035004201.db2.gz DDCMIDPLOXQILC-UHFFFAOYSA-N 1 3 380.532 3.844 20 0 GHADHO CCCCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001160923023 1035094856 /nfs/dbraw/zinc/09/48/56/1035094856.db2.gz YCBKBDCYZIXOFR-KXBFYZLASA-N 1 3 399.501 3.592 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936219 1035103272 /nfs/dbraw/zinc/10/32/72/1035103272.db2.gz MUESGIVULCHKNA-LADGPHEKSA-N 1 3 383.580 3.622 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN(C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936219 1035103277 /nfs/dbraw/zinc/10/32/77/1035103277.db2.gz MUESGIVULCHKNA-LADGPHEKSA-N 1 3 383.580 3.622 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940543 1035109067 /nfs/dbraw/zinc/10/90/67/1035109067.db2.gz DKAUHBGUNYZJIF-XUZZJYLKSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940543 1035109073 /nfs/dbraw/zinc/10/90/73/1035109073.db2.gz DKAUHBGUNYZJIF-XUZZJYLKSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[NH+](C[C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC001208940597 1035110251 /nfs/dbraw/zinc/11/02/51/1035110251.db2.gz FFFCOUJZWKEYFM-NRFANRHFSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](C[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208941880 1035111407 /nfs/dbraw/zinc/11/14/07/1035111407.db2.gz NNTRRNJXGKVZCW-XUZZJYLKSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@@H+](C[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208941880 1035111411 /nfs/dbraw/zinc/11/14/11/1035111411.db2.gz NNTRRNJXGKVZCW-XUZZJYLKSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC001208941603 1035112394 /nfs/dbraw/zinc/11/23/94/1035112394.db2.gz MRBBLHAVFGLFFP-VSKRKVRLSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC001208941603 1035112399 /nfs/dbraw/zinc/11/23/99/1035112399.db2.gz MRBBLHAVFGLFFP-VSKRKVRLSA-N 1 3 399.579 3.840 20 0 GHADHO CN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945565 1035115812 /nfs/dbraw/zinc/11/58/12/1035115812.db2.gz RBTSOGBNWFOMTD-CZYKHXBRSA-N 1 3 399.579 3.696 20 0 GHADHO CN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945565 1035115815 /nfs/dbraw/zinc/11/58/15/1035115815.db2.gz RBTSOGBNWFOMTD-CZYKHXBRSA-N 1 3 399.579 3.696 20 0 GHADHO CC[N@@H+](Cc1cc(F)cc(CN(C)C)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232151100 1035130100 /nfs/dbraw/zinc/13/01/00/1035130100.db2.gz MOYSWFVDTUEVPO-KRWDZBQOSA-N 1 3 393.547 3.966 20 0 GHADHO CC[N@H+](Cc1cc(F)cc(CN(C)C)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232151100 1035130104 /nfs/dbraw/zinc/13/01/04/1035130104.db2.gz MOYSWFVDTUEVPO-KRWDZBQOSA-N 1 3 393.547 3.966 20 0 GHADHO COc1cc2c(cc1OC)[C@@H](CN(C)C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208956441 1035130254 /nfs/dbraw/zinc/13/02/54/1035130254.db2.gz ICZKBXNHJDCDKS-PZJWPPBQSA-N 1 3 380.532 3.797 20 0 GHADHO COc1cc2c(cc1OC)[C@@H](CN(C)C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208956441 1035130260 /nfs/dbraw/zinc/13/02/60/1035130260.db2.gz ICZKBXNHJDCDKS-PZJWPPBQSA-N 1 3 380.532 3.797 20 0 GHADHO O=C1c2ccccc2CN1[C@@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208957168 1035130571 /nfs/dbraw/zinc/13/05/71/1035130571.db2.gz DDVXYVVQLAFGFT-JTHBVZDNSA-N 1 3 389.543 3.629 20 0 GHADHO O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208957168 1035130577 /nfs/dbraw/zinc/13/05/77/1035130577.db2.gz DDVXYVVQLAFGFT-JTHBVZDNSA-N 1 3 389.543 3.629 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](Nc3cc4c(nn3)CCNC4)[C@@H](c3ccccc3)C2)cc1 ZINC001161464043 1035235911 /nfs/dbraw/zinc/23/59/11/1035235911.db2.gz XNJKVTKIAWZLNE-VWNXMTODSA-N 1 3 399.542 3.593 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](Nc3cc4c(nn3)CCNC4)[C@@H](c3ccccc3)C2)cc1 ZINC001161464043 1035235914 /nfs/dbraw/zinc/23/59/14/1035235914.db2.gz XNJKVTKIAWZLNE-VWNXMTODSA-N 1 3 399.542 3.593 20 0 GHADHO [NH3+]C1CCN(c2cccc(N[C@H](c3ccc(C(F)(F)F)cn3)C3CC3)n2)CC1 ZINC001161785914 1035302304 /nfs/dbraw/zinc/30/23/04/1035302304.db2.gz FATOAFFLWGZWRP-IBGZPJMESA-N 1 3 391.441 3.986 20 0 GHADHO O=C(Nc1ccccc1C1=CCN(Cc2ccccc2)CC1)NC1CC[NH2+]CC1 ZINC001241507543 1035598822 /nfs/dbraw/zinc/59/88/22/1035598822.db2.gz YDTYAKFBIOLYEY-UHFFFAOYSA-N 1 3 390.531 3.849 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001241771400 1035690535 /nfs/dbraw/zinc/69/05/35/1035690535.db2.gz IIVLWVIIWJFYGO-UHFFFAOYSA-N 1 3 383.511 3.770 20 0 GHADHO C[C@](O)(CNC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1)c1ccccc1 ZINC001246002249 1037121828 /nfs/dbraw/zinc/12/18/28/1037121828.db2.gz ASRMQCWYHNXAQB-FQEVSTJZSA-N 1 3 392.465 3.867 20 0 GHADHO C[C@](O)(C[NH2+]C1(Cc2cccc(C(F)(F)F)c2)CCNCC1)c1ccccc1 ZINC001246002249 1037121829 /nfs/dbraw/zinc/12/18/29/1037121829.db2.gz ASRMQCWYHNXAQB-FQEVSTJZSA-N 1 3 392.465 3.867 20 0 GHADHO Cc1ccccc1OC[C@H](O)CN[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001246005292 1037125964 /nfs/dbraw/zinc/12/59/64/1037125964.db2.gz IXWVPTBSEVSDGC-DENIHFKCSA-N 1 3 386.511 3.594 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@@H](NCCC(=O)N2CCCc3ccccc32)CC[NH2+]1 ZINC001246278220 1037273594 /nfs/dbraw/zinc/27/35/94/1037273594.db2.gz LGBWLHWWFQZKCR-RBBKRZOGSA-N 1 3 395.522 3.886 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246281634 1037274199 /nfs/dbraw/zinc/27/41/99/1037274199.db2.gz OTDQGVLBRMZRNS-JQCUPLDDSA-N 1 3 382.589 3.753 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246281634 1037274223 /nfs/dbraw/zinc/27/42/23/1037274223.db2.gz OTDQGVLBRMZRNS-JQCUPLDDSA-N 1 3 382.589 3.753 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246281634 1037274243 /nfs/dbraw/zinc/27/42/43/1037274243.db2.gz OTDQGVLBRMZRNS-JQCUPLDDSA-N 1 3 382.589 3.753 20 0 GHADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246293290 1037280981 /nfs/dbraw/zinc/28/09/81/1037280981.db2.gz YELDNDZCWGPIQP-CTVDGRRTSA-N 1 3 385.596 3.569 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246331752 1037300428 /nfs/dbraw/zinc/30/04/28/1037300428.db2.gz JJZDOSYABLCWDK-VPKMPKATSA-N 1 3 390.955 3.956 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(c2ccccc2OC)CCNCC1 ZINC001246377936 1037334657 /nfs/dbraw/zinc/33/46/57/1037334657.db2.gz SRAJQSZNOZZQLP-SFHVURJKSA-N 1 3 382.504 3.614 20 0 GHADHO COCCC1([NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CCNCC1 ZINC001246385867 1037346571 /nfs/dbraw/zinc/34/65/71/1037346571.db2.gz FTMZNJAATDKAQE-HSZRJFAPSA-N 1 3 394.559 3.871 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CCN1 ZINC001246403425 1037360288 /nfs/dbraw/zinc/36/02/88/1037360288.db2.gz DUNRWUCUDTUOEN-QAPCUYQASA-N 1 3 381.358 3.519 20 0 GHADHO CCOC(=O)C1CCC([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)CC1 ZINC001246426880 1037385602 /nfs/dbraw/zinc/38/56/02/1037385602.db2.gz DXEHJTHVZZLHEJ-UHFFFAOYSA-N 1 3 378.944 3.716 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H](NC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246428700 1037386658 /nfs/dbraw/zinc/38/66/58/1037386658.db2.gz BUPRWPQIKVBVFE-AEFFLSMTSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCNCC2)C1 ZINC001246428700 1037386669 /nfs/dbraw/zinc/38/66/69/1037386669.db2.gz BUPRWPQIKVBVFE-AEFFLSMTSA-N 1 3 398.469 3.692 20 0 GHADHO O=C1CCCCN1c1ccc(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246435241 1037397759 /nfs/dbraw/zinc/39/77/59/1037397759.db2.gz PABFSRLMFMAIOQ-YADHBBJMSA-N 1 3 377.532 3.656 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2(Cc3cccc(F)c3)CCNCC2)cc1 ZINC001246457371 1037416215 /nfs/dbraw/zinc/41/62/15/1037416215.db2.gz JYMZGFGOFNOVIW-SFHVURJKSA-N 1 3 398.522 3.888 20 0 GHADHO CCOC(=O)C1(C)CCC([NH2+]C2(Cc3cccc(F)c3)CCNCC2)CC1 ZINC001246463339 1037418800 /nfs/dbraw/zinc/41/88/00/1037418800.db2.gz QUARXDMOVLTLDO-UHFFFAOYSA-N 1 3 376.516 3.592 20 0 GHADHO Oc1ccc(Br)c(CC[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246505453 1037445340 /nfs/dbraw/zinc/44/53/40/1037445340.db2.gz WJAPRXVXNRUFGQ-ROUUACIJSA-N 1 3 389.337 3.650 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@@H+]2CC[C@@](C)(N)C2)CC1 ZINC001246527560 1037459972 /nfs/dbraw/zinc/45/99/72/1037459972.db2.gz GMZLMAVJVXNBSW-JLAWEPINSA-N 1 3 397.357 3.631 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CC[C@@](C)(N)C2)CC1 ZINC001246527560 1037459988 /nfs/dbraw/zinc/45/99/88/1037459988.db2.gz GMZLMAVJVXNBSW-JLAWEPINSA-N 1 3 397.357 3.631 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246672158 1037538357 /nfs/dbraw/zinc/53/83/57/1037538357.db2.gz KLWOKELKCVHVIX-YZUZCNPQSA-N 1 3 378.516 3.816 20 0 GHADHO O=C1N(Cc2ccccc2)c2ccccc2C12CCN([C@@H]1CCC[NH2+]CC1)CC2 ZINC001246709776 1037562635 /nfs/dbraw/zinc/56/26/35/1037562635.db2.gz JOWZIKOLMGBVFN-OAQYLSRUSA-N 1 3 389.543 3.709 20 0 GHADHO CCN(CC)C(=O)C[C@H]1CC2(CCN([C@@H](C)CC[NH2+]C)CC2)c2ccccc21 ZINC001246753378 1037594120 /nfs/dbraw/zinc/59/41/20/1037594120.db2.gz LADIJRDIILJDSO-PMACEKPBSA-N 1 3 385.596 3.764 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2cn(C)nc2C2CCOCC2)CC1)CC(C)C ZINC001462197629 1070075261 /nfs/dbraw/zinc/07/52/61/1070075261.db2.gz DBYNRKSWHRQBIH-UHFFFAOYSA-N 1 3 390.616 3.894 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2cn(C)nc2C2CCOCC2)CC1)CC(C)C ZINC001462197629 1070075285 /nfs/dbraw/zinc/07/52/85/1070075285.db2.gz DBYNRKSWHRQBIH-UHFFFAOYSA-N 1 3 390.616 3.894 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246918495 1037724468 /nfs/dbraw/zinc/72/44/68/1037724468.db2.gz KPUGZLVMECFOAB-CEDHKZHLSA-N 1 3 376.516 3.889 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246918495 1037724485 /nfs/dbraw/zinc/72/44/85/1037724485.db2.gz KPUGZLVMECFOAB-CEDHKZHLSA-N 1 3 376.516 3.889 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246918495 1037724507 /nfs/dbraw/zinc/72/45/07/1037724507.db2.gz KPUGZLVMECFOAB-CEDHKZHLSA-N 1 3 376.516 3.889 20 0 GHADHO FC(F)(F)[C@@H]1C[C@@H]([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946550 1037751431 /nfs/dbraw/zinc/75/14/31/1037751431.db2.gz NTKIKOFTESJFBQ-IRXDYDNUSA-N 1 3 375.866 3.577 20 0 GHADHO FC(F)(F)[C@@H]1C[C@@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946550 1037751455 /nfs/dbraw/zinc/75/14/55/1037751455.db2.gz NTKIKOFTESJFBQ-IRXDYDNUSA-N 1 3 375.866 3.577 20 0 GHADHO FC(F)(F)[C@@H]1C[C@@H](N(Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246946550 1037751470 /nfs/dbraw/zinc/75/14/70/1037751470.db2.gz NTKIKOFTESJFBQ-IRXDYDNUSA-N 1 3 375.866 3.577 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)CCN2)cc1 ZINC001246957592 1037771012 /nfs/dbraw/zinc/77/10/12/1037771012.db2.gz BRZAPYGSNXIYJA-VPBXCIAMSA-N 1 3 375.560 3.556 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)CCN2)cc1 ZINC001246957592 1037771034 /nfs/dbraw/zinc/77/10/34/1037771034.db2.gz BRZAPYGSNXIYJA-VPBXCIAMSA-N 1 3 375.560 3.556 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[C@@H](N3CCCCC3)[C@@H](F)C2)CC[NH2+]1 ZINC001247014465 1037838348 /nfs/dbraw/zinc/83/83/48/1037838348.db2.gz DBBJABWDPIUVOA-RYFAJOAYSA-N 1 3 377.523 3.826 20 0 GHADHO CSc1cc(C)c(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001232344251 1038122062 /nfs/dbraw/zinc/12/20/62/1038122062.db2.gz XRCHQZATTRKZPA-UHFFFAOYSA-N 1 3 382.577 3.995 20 0 GHADHO CSc1cc(C)c(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001232344251 1038122072 /nfs/dbraw/zinc/12/20/72/1038122072.db2.gz XRCHQZATTRKZPA-UHFFFAOYSA-N 1 3 382.577 3.995 20 0 GHADHO CN(C)c1ccc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)c(F)n1 ZINC001233115732 1038904216 /nfs/dbraw/zinc/90/42/16/1038904216.db2.gz DTOMVVAMPSMQOW-IBGZPJMESA-N 1 3 386.515 3.756 20 0 GHADHO CN(C)c1ccc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)c(F)n1 ZINC001233115732 1038904221 /nfs/dbraw/zinc/90/42/21/1038904221.db2.gz DTOMVVAMPSMQOW-IBGZPJMESA-N 1 3 386.515 3.756 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233120431 1038906981 /nfs/dbraw/zinc/90/69/81/1038906981.db2.gz DATRWNJXVWAKGH-UHFFFAOYSA-N 1 3 393.510 3.974 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233120431 1038906993 /nfs/dbraw/zinc/90/69/93/1038906993.db2.gz DATRWNJXVWAKGH-UHFFFAOYSA-N 1 3 393.510 3.974 20 0 GHADHO OC1(C[NH+]2CCC(Oc3cccc(F)c3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254036668 1039967421 /nfs/dbraw/zinc/96/74/21/1039967421.db2.gz JIUUQVZFPVZWAO-UHFFFAOYSA-N 1 3 398.522 3.696 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296340 1040147011 /nfs/dbraw/zinc/14/70/11/1040147011.db2.gz QIXXMSJBKUCDDT-AZUAARDMSA-N 1 3 375.557 3.873 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296340 1040147019 /nfs/dbraw/zinc/14/70/19/1040147019.db2.gz QIXXMSJBKUCDDT-AZUAARDMSA-N 1 3 375.557 3.873 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763598 1040522635 /nfs/dbraw/zinc/52/26/35/1040522635.db2.gz ALBUJDAQDBIMPF-UYAOXDASSA-N 1 3 387.568 3.873 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763598 1040522654 /nfs/dbraw/zinc/52/26/54/1040522654.db2.gz ALBUJDAQDBIMPF-UYAOXDASSA-N 1 3 387.568 3.873 20 0 GHADHO CN1CC2(C1)CC[NH+](C1CCC3(CC1)CCN(C(=O)OC(C)(C)C)CC3)CC2 ZINC001254797465 1040558816 /nfs/dbraw/zinc/55/88/16/1040558816.db2.gz VHFJFBZPHWLPEE-UHFFFAOYSA-N 1 3 391.600 3.974 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C1)C2 ZINC001255212487 1040908313 /nfs/dbraw/zinc/90/83/13/1040908313.db2.gz KOSHQHUNTVTLNW-CCSDVLNMSA-N 1 3 397.563 3.592 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C1)C2 ZINC001255212487 1040908315 /nfs/dbraw/zinc/90/83/15/1040908315.db2.gz KOSHQHUNTVTLNW-CCSDVLNMSA-N 1 3 397.563 3.592 20 0 GHADHO COc1cc(C)c(Br)cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429627 1040930745 /nfs/dbraw/zinc/93/07/45/1040930745.db2.gz BJQDOKGYKIZMLH-JKSUJKDBSA-N 1 3 381.358 3.978 20 0 GHADHO c1ccc(CN2CCC[C@H]([NH2+]Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC001255383979 1040974080 /nfs/dbraw/zinc/97/40/80/1040974080.db2.gz QTAZGPLMERYBLR-QHCPKHFHSA-N 1 3 379.548 3.668 20 0 GHADHO c1csc(CCN2CCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255401797 1040988311 /nfs/dbraw/zinc/98/83/11/1040988311.db2.gz CBVVFIIMLGRXCL-JOCHJYFZSA-N 1 3 383.605 3.963 20 0 GHADHO c1csc(CCN2CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255401797 1040988312 /nfs/dbraw/zinc/98/83/12/1040988312.db2.gz CBVVFIIMLGRXCL-JOCHJYFZSA-N 1 3 383.605 3.963 20 0 GHADHO CC(C)Oc1ncnc2c1CC[N@@H+]([C@@H]1CCCN(Cc3ccccc3)CC1)CC2 ZINC001255402020 1040988474 /nfs/dbraw/zinc/98/84/74/1040988474.db2.gz ZRZMZCKSKMVPPY-OAQYLSRUSA-N 1 3 394.563 3.719 20 0 GHADHO CC(C)Oc1ncnc2c1CC[N@H+]([C@@H]1CCCN(Cc3ccccc3)CC1)CC2 ZINC001255402020 1040988477 /nfs/dbraw/zinc/98/84/77/1040988477.db2.gz ZRZMZCKSKMVPPY-OAQYLSRUSA-N 1 3 394.563 3.719 20 0 GHADHO CCCCN(Cc1ccccc1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235663056 1041117751 /nfs/dbraw/zinc/11/77/51/1041117751.db2.gz HHDRWWYRADPIRC-UHFFFAOYSA-N 1 3 377.536 3.999 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255592355 1041151547 /nfs/dbraw/zinc/15/15/47/1041151547.db2.gz HBRZMUCKTCMUMH-FHWLQOOXSA-N 1 3 391.531 3.907 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2C[N@H+](C)C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001255681911 1041214119 /nfs/dbraw/zinc/21/41/19/1041214119.db2.gz BJNWHMJIKVPSBE-VNYJYPEVSA-N 1 3 385.596 3.997 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001255681911 1041214136 /nfs/dbraw/zinc/21/41/36/1041214136.db2.gz BJNWHMJIKVPSBE-VNYJYPEVSA-N 1 3 385.596 3.997 20 0 GHADHO CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001462535477 1070336807 /nfs/dbraw/zinc/33/68/07/1070336807.db2.gz BPHJEEUIMCRIDJ-REWPJTCUSA-N 1 3 389.559 3.712 20 0 GHADHO CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001462535477 1070336822 /nfs/dbraw/zinc/33/68/22/1070336822.db2.gz BPHJEEUIMCRIDJ-REWPJTCUSA-N 1 3 389.559 3.712 20 0 GHADHO c1ccc(C(OC2CC[NH+](CC[C@H]3CNCCO3)CC2)c2ccccc2)cc1 ZINC001235834193 1041358468 /nfs/dbraw/zinc/35/84/68/1041358468.db2.gz LVIOIROPGBIUQE-QHCPKHFHSA-N 1 3 380.532 3.636 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001255905417 1041388090 /nfs/dbraw/zinc/38/80/90/1041388090.db2.gz NRTYOMAUJXWLKB-AZUAARDMSA-N 1 3 377.573 3.796 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255941474 1041429578 /nfs/dbraw/zinc/42/95/78/1041429578.db2.gz RNNQZEPXWBPVFL-RBUKOAKNSA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCCC[C@@]12CN(C(=O)OC(C)(C)C)CCO2 ZINC001255943512 1041430343 /nfs/dbraw/zinc/43/03/43/1041430343.db2.gz NOTICEFXMWWRBT-NNMXDRDESA-N 1 3 397.604 3.645 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCCC[C@@]12CN(C(=O)OC(C)(C)C)CCO2 ZINC001255943512 1041430347 /nfs/dbraw/zinc/43/03/47/1041430347.db2.gz NOTICEFXMWWRBT-NNMXDRDESA-N 1 3 397.604 3.645 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001255958713 1041437128 /nfs/dbraw/zinc/43/71/28/1041437128.db2.gz FDAOAZYCLWWSNK-UXHICEINSA-N 1 3 393.641 3.924 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+](C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001255962612 1041441961 /nfs/dbraw/zinc/44/19/61/1041441961.db2.gz XKTXMIYLGTVCKU-IBGZPJMESA-N 1 3 391.600 3.720 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+](C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001255962612 1041441970 /nfs/dbraw/zinc/44/19/70/1041441970.db2.gz XKTXMIYLGTVCKU-IBGZPJMESA-N 1 3 391.600 3.720 20 0 GHADHO Cc1cc(-c2cccc(Cl)c2)ncc1CN1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001236082323 1041525388 /nfs/dbraw/zinc/52/53/88/1041525388.db2.gz LTZRGPQPVNBULS-NRFANRHFSA-N 1 3 384.955 3.565 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCC[C@H](c3ccccc3)C1)CC2 ZINC001256115739 1041545541 /nfs/dbraw/zinc/54/55/41/1041545541.db2.gz SUWXRXPXRZISEL-GOTSBHOMSA-N 1 3 393.575 3.537 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCC[C@H](c3ccccc3)C1)CC2 ZINC001256115739 1041545555 /nfs/dbraw/zinc/54/55/55/1041545555.db2.gz SUWXRXPXRZISEL-GOTSBHOMSA-N 1 3 393.575 3.537 20 0 GHADHO CC(=O)OC[C@@H]1CCC2(C1)CCN(Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001236322390 1041671082 /nfs/dbraw/zinc/67/10/82/1041671082.db2.gz NEJKDZHYPINECP-LJQANCHMSA-N 1 3 395.547 3.690 20 0 GHADHO Clc1ccc2c(c1)[C@@H]1CN(Cc3ccccc3N3CC[NH2+]CC3)CC[C@H]1N2 ZINC001237250155 1042107068 /nfs/dbraw/zinc/10/70/68/1042107068.db2.gz SQFAKQHDVAHZMP-PZJWPPBQSA-N 1 3 382.939 3.533 20 0 GHADHO COc1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)ccc1C(F)F ZINC001237271728 1042116939 /nfs/dbraw/zinc/11/69/39/1042116939.db2.gz CCBHTAOXEJZPMQ-UHFFFAOYSA-N 1 3 382.495 3.957 20 0 GHADHO CCOC(=O)[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)cc2)CCC12C[NH2+]C2 ZINC001237430285 1042205662 /nfs/dbraw/zinc/20/56/62/1042205662.db2.gz LODHHFJFNCUMFV-NRFANRHFSA-N 1 3 398.478 3.593 20 0 GHADHO Cc1cc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)ccc1OC(C)C ZINC001237715944 1042339378 /nfs/dbraw/zinc/33/93/78/1042339378.db2.gz XVAAWFLLAMYFGR-ISKFKSNPSA-N 1 3 386.580 3.963 20 0 GHADHO Cc1cc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)ccc1OC(C)C ZINC001237715944 1042339385 /nfs/dbraw/zinc/33/93/85/1042339385.db2.gz XVAAWFLLAMYFGR-ISKFKSNPSA-N 1 3 386.580 3.963 20 0 GHADHO COc1c(C)cnc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001238173363 1042508218 /nfs/dbraw/zinc/50/82/18/1042508218.db2.gz PONZBWIMRNNXDL-UHFFFAOYSA-N 1 3 394.563 3.979 20 0 GHADHO COc1c(C)cnc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001238173363 1042508222 /nfs/dbraw/zinc/50/82/22/1042508222.db2.gz PONZBWIMRNNXDL-UHFFFAOYSA-N 1 3 394.563 3.979 20 0 GHADHO Fc1ccc(CC[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001278236963 1042606376 /nfs/dbraw/zinc/60/63/76/1042606376.db2.gz APBSXRDZAARSKL-HDICACEKSA-N 1 3 376.907 3.589 20 0 GHADHO Fc1ccc(CC[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001278236963 1042606378 /nfs/dbraw/zinc/60/63/78/1042606378.db2.gz APBSXRDZAARSKL-HDICACEKSA-N 1 3 376.907 3.589 20 0 GHADHO CC(C)N1CCN(c2ccc(C3=CCC[N@H+](Cc4ccccc4)C3)cn2)CC1 ZINC001240387647 1042924325 /nfs/dbraw/zinc/92/43/25/1042924325.db2.gz RJWCNWZSHXJVKQ-UHFFFAOYSA-N 1 3 376.548 3.901 20 0 GHADHO CC(C)N1CCN(c2ccc(C3=CCC[N@@H+](Cc4ccccc4)C3)cn2)CC1 ZINC001240387647 1042924330 /nfs/dbraw/zinc/92/43/30/1042924330.db2.gz RJWCNWZSHXJVKQ-UHFFFAOYSA-N 1 3 376.548 3.901 20 0 GHADHO C[C@H]1C[C@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256526648 1043452836 /nfs/dbraw/zinc/45/28/36/1043452836.db2.gz NXXBSVYOFFHDJG-GPUOULLFSA-N 1 3 393.575 3.530 20 0 GHADHO C[C@H]1C[C@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256526648 1043452839 /nfs/dbraw/zinc/45/28/39/1043452839.db2.gz NXXBSVYOFFHDJG-GPUOULLFSA-N 1 3 393.575 3.530 20 0 GHADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(NC2=NCCC2)cc1 ZINC001292360548 1043704327 /nfs/dbraw/zinc/70/43/27/1043704327.db2.gz DKVHGOCFQROZGZ-UHFFFAOYSA-N 1 3 396.560 3.994 20 0 GHADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC001292497179 1043764174 /nfs/dbraw/zinc/76/41/74/1043764174.db2.gz POFZPFKAPCFXLW-FGTMMUONSA-N 1 3 385.556 3.578 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC001257150689 1043899369 /nfs/dbraw/zinc/89/93/69/1043899369.db2.gz DTBWIAOLBLPNLE-LJQANCHMSA-N 1 3 395.547 3.691 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C)([NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC001257975106 1044299290 /nfs/dbraw/zinc/29/92/90/1044299290.db2.gz CAUZXLRUCIFHDG-PMACEKPBSA-N 1 3 387.568 3.810 20 0 GHADHO CC(=O)N1CC2(CC[NH+](C3CCN(CC(C)C)CC3)CC2)c2cc(C)ccc21 ZINC001258014919 1044341732 /nfs/dbraw/zinc/34/17/32/1044341732.db2.gz NFQNMCGAQWBWCM-UHFFFAOYSA-N 1 3 383.580 3.816 20 0 GHADHO CC(=O)N1CCCC[C@]12CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141939 1044429470 /nfs/dbraw/zinc/42/94/70/1044429470.db2.gz QDWOLNXMXLFDBE-XMMPIXPASA-N 1 3 383.580 3.561 20 0 GHADHO c1ccc(CCN2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC001258146455 1044434279 /nfs/dbraw/zinc/43/42/79/1044434279.db2.gz YGBDAOAUMCXFIJ-UHFFFAOYSA-N 1 3 377.576 3.554 20 0 GHADHO C[C@@H](CC1CC1)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258462953 1044571866 /nfs/dbraw/zinc/57/18/66/1044571866.db2.gz UFNJCJQHGZYACF-WDJPJFJCSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H](CC1CC1)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258462953 1044571881 /nfs/dbraw/zinc/57/18/81/1044571881.db2.gz UFNJCJQHGZYACF-WDJPJFJCSA-N 1 3 383.580 3.821 20 0 GHADHO CCC[NH+]1CCC(N2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001258774353 1044758303 /nfs/dbraw/zinc/75/83/03/1044758303.db2.gz JKWIVHLNBZATSL-QHCPKHFHSA-N 1 3 389.559 3.619 20 0 GHADHO COCc1ccc(CN2CCC3(CC[N@H+](Cc4scnc4C)C3)CC2)o1 ZINC001279306695 1047761827 /nfs/dbraw/zinc/76/18/27/1047761827.db2.gz OWJJOWJKPUNFFN-UHFFFAOYSA-N 1 3 375.538 3.679 20 0 GHADHO COCc1ccc(CN2CCC3(CC[N@@H+](Cc4scnc4C)C3)CC2)o1 ZINC001279306695 1047761830 /nfs/dbraw/zinc/76/18/30/1047761830.db2.gz OWJJOWJKPUNFFN-UHFFFAOYSA-N 1 3 375.538 3.679 20 0 GHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC(C)(C)CC(C)(C)C1 ZINC001307657451 1049482771 /nfs/dbraw/zinc/48/27/71/1049482771.db2.gz APCGLEWZVGCRCQ-IBGZPJMESA-N 1 3 385.596 3.914 20 0 GHADHO C[NH+]1CCC2(CCN(CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)CC2)CC1 ZINC001307991359 1049744048 /nfs/dbraw/zinc/74/40/48/1049744048.db2.gz YMMAJRWHZWZNMT-UHFFFAOYSA-N 1 3 389.559 3.761 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccsc1 ZINC001311393482 1052084027 /nfs/dbraw/zinc/08/40/27/1052084027.db2.gz DVLPDVPGSPVPIP-ROUUACIJSA-N 1 3 382.618 3.797 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC001311487220 1052194827 /nfs/dbraw/zinc/19/48/27/1052194827.db2.gz OVSZXQHOVQJEFZ-XUVXKRRUSA-N 1 3 392.975 3.649 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC001311487220 1052194832 /nfs/dbraw/zinc/19/48/32/1052194832.db2.gz OVSZXQHOVQJEFZ-XUVXKRRUSA-N 1 3 392.975 3.649 20 0 GHADHO Cc1ccccc1[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC001337257372 1052433655 /nfs/dbraw/zinc/43/36/55/1052433655.db2.gz DHPKBPYALZMGNH-VWLOTQADSA-N 1 3 391.559 3.948 20 0 GHADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001312014303 1052529972 /nfs/dbraw/zinc/52/99/72/1052529972.db2.gz ZQYJXFCHZNWLQD-FCHUYYIVSA-N 1 3 384.568 3.530 20 0 GHADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001312014303 1052529979 /nfs/dbraw/zinc/52/99/79/1052529979.db2.gz ZQYJXFCHZNWLQD-FCHUYYIVSA-N 1 3 384.568 3.530 20 0 GHADHO CN(C)[C@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC001312164290 1052608773 /nfs/dbraw/zinc/60/87/73/1052608773.db2.gz KFVKCEVDBMEDDN-HXUWFJFHSA-N 1 3 392.975 3.603 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313872575 1053265272 /nfs/dbraw/zinc/26/52/72/1053265272.db2.gz WZTDDPXBRUHCHW-QYZOEREBSA-N 1 3 392.636 3.516 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313872574 1053265945 /nfs/dbraw/zinc/26/59/45/1053265945.db2.gz WZTDDPXBRUHCHW-QRVBRYPASA-N 1 3 392.636 3.516 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001342867738 1053398801 /nfs/dbraw/zinc/39/88/01/1053398801.db2.gz PMFMIDXNNCITHT-HSZRJFAPSA-N 1 3 389.543 3.835 20 0 GHADHO CCCN(C(=O)c1cccc2c1CNC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001342914358 1053431050 /nfs/dbraw/zinc/43/10/50/1053431050.db2.gz JNTDFYYBKLHJQB-UHFFFAOYSA-N 1 3 377.532 3.807 20 0 GHADHO CC(C)N(CCc1ccccc1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001318719670 1054823439 /nfs/dbraw/zinc/82/34/39/1054823439.db2.gz USXDEKKKJSHKFW-UHFFFAOYSA-N 1 3 393.575 3.852 20 0 GHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001319395112 1055225887 /nfs/dbraw/zinc/22/58/87/1055225887.db2.gz VRNRZCNKAJOSOR-DEOSSOPVSA-N 1 3 379.548 3.610 20 0 GHADHO CC[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc2c(c1)CCCO2 ZINC001319911681 1055537275 /nfs/dbraw/zinc/53/72/75/1055537275.db2.gz QMKFMEQJKMWPSW-DEOSSOPVSA-N 1 3 393.575 4.000 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001200822166 1056990361 /nfs/dbraw/zinc/99/03/61/1056990361.db2.gz RWAPLRNUZKSBAI-VQTJNVASSA-N 1 3 387.568 3.942 20 0 GHADHO CC(C)COc1cccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849066853 1057577335 /nfs/dbraw/zinc/57/73/35/1057577335.db2.gz TVBPPKDXPGCRNU-UHFFFAOYSA-N 1 3 394.563 4.000 20 0 GHADHO CC(C)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1F ZINC000849074318 1057582355 /nfs/dbraw/zinc/58/23/55/1057582355.db2.gz SJCXLBOZKFHHKV-UHFFFAOYSA-N 1 3 382.527 3.882 20 0 GHADHO Cc1cccc(O[C@@H](C)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849093425 1057591784 /nfs/dbraw/zinc/59/17/84/1057591784.db2.gz PVOKBAFJZVOKAX-IBGZPJMESA-N 1 3 380.536 3.541 20 0 GHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001477597832 1078484233 /nfs/dbraw/zinc/48/42/33/1078484233.db2.gz GECKENGHQQSMAA-QFBILLFUSA-N 1 3 394.991 3.752 20 0 GHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001477597832 1078484235 /nfs/dbraw/zinc/48/42/35/1078484235.db2.gz GECKENGHQQSMAA-QFBILLFUSA-N 1 3 394.991 3.752 20 0 GHADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC001468011335 1067563415 /nfs/dbraw/zinc/56/34/15/1067563415.db2.gz PCWUJTRIFGETLK-MOPGFXCFSA-N 1 3 394.629 3.941 20 0 GHADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC001468011335 1067563420 /nfs/dbraw/zinc/56/34/20/1067563420.db2.gz PCWUJTRIFGETLK-MOPGFXCFSA-N 1 3 394.629 3.941 20 0 GHADHO CCO[C@H]1C[C@@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C12CCCC2 ZINC000849098700 1067726023 /nfs/dbraw/zinc/72/60/23/1067726023.db2.gz NRBHDCAKXLRABA-RTWAWAEBSA-N 1 3 384.568 3.503 20 0 GHADHO C[C@]1(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000849115417 1067736283 /nfs/dbraw/zinc/73/62/83/1067736283.db2.gz SUAQFKZTUVRFFG-SFHVURJKSA-N 1 3 383.367 3.739 20 0 GHADHO CC[NH+]1CCC(C(=O)N[C@H](C)CN(C)Cc2ccccc2)(c2ccccc2)CC1 ZINC001468611090 1067790536 /nfs/dbraw/zinc/79/05/36/1067790536.db2.gz TVDCTCZEPCRMBB-OAQYLSRUSA-N 1 3 393.575 3.677 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001460550288 1068993053 /nfs/dbraw/zinc/99/30/53/1068993053.db2.gz CMUDXUBNFJFEGP-OFNKIYASSA-N 1 3 391.575 3.961 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC001470653956 1072672379 /nfs/dbraw/zinc/67/23/79/1072672379.db2.gz PLPCABNANFOMJO-LIKPIUCQSA-N 1 3 390.616 3.545 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC001470653956 1072672381 /nfs/dbraw/zinc/67/23/81/1072672381.db2.gz PLPCABNANFOMJO-LIKPIUCQSA-N 1 3 390.616 3.545 20 0 GHADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001470854734 1072773717 /nfs/dbraw/zinc/77/37/17/1072773717.db2.gz NDBMTNOCFOPSKJ-GGAORHGYSA-N 1 3 398.595 3.699 20 0 GHADHO CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001470854734 1072773726 /nfs/dbraw/zinc/77/37/26/1072773726.db2.gz NDBMTNOCFOPSKJ-GGAORHGYSA-N 1 3 398.595 3.699 20 0 GHADHO CC(C)C[NH+]1CCC(C(=O)N[C@H](CN(C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC001470923246 1072818960 /nfs/dbraw/zinc/81/89/60/1072818960.db2.gz DOAONYVFJSGLGC-LJQANCHMSA-N 1 3 399.501 3.792 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)N(C)C)cc1 ZINC001478768789 1078981106 /nfs/dbraw/zinc/98/11/06/1078981106.db2.gz DYEHJFWZISLZOF-OAQYLSRUSA-N 1 3 388.600 3.614 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)N(C)C)cc1 ZINC001478768789 1078981108 /nfs/dbraw/zinc/98/11/08/1078981108.db2.gz DYEHJFWZISLZOF-OAQYLSRUSA-N 1 3 388.600 3.614 20 0 GHADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001471400058 1073053757 /nfs/dbraw/zinc/05/37/57/1073053757.db2.gz SYJJPBSRBOFIBX-DHIUTWEWSA-N 1 3 383.580 3.907 20 0 GHADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001471400058 1073053768 /nfs/dbraw/zinc/05/37/68/1073053768.db2.gz SYJJPBSRBOFIBX-DHIUTWEWSA-N 1 3 383.580 3.907 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001478957572 1079039577 /nfs/dbraw/zinc/03/95/77/1079039577.db2.gz ROARSQVPEWYSKS-NNWRFLSQSA-N 1 3 388.600 3.674 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001478957572 1079039579 /nfs/dbraw/zinc/03/95/79/1079039579.db2.gz ROARSQVPEWYSKS-NNWRFLSQSA-N 1 3 388.600 3.674 20 0 GHADHO O=C(NC1CC1)OC[C@@H]1CCCCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001473526631 1074002738 /nfs/dbraw/zinc/00/27/38/1074002738.db2.gz HQPZXPWFTBQMLM-QFIPXVFZSA-N 1 3 385.552 3.916 20 0 GHADHO FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807500 1074153822 /nfs/dbraw/zinc/15/38/22/1074153822.db2.gz PCYXBIQCRZRKKO-FYQPLNBISA-N 1 3 382.470 3.940 20 0 GHADHO FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807500 1074153827 /nfs/dbraw/zinc/15/38/27/1074153827.db2.gz PCYXBIQCRZRKKO-FYQPLNBISA-N 1 3 382.470 3.940 20 0 GHADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1C(C)(C)C ZINC001474204703 1074292690 /nfs/dbraw/zinc/29/26/90/1074292690.db2.gz IWEOYOQSCZSWDM-OAQYLSRUSA-N 1 3 382.548 3.849 20 0 GHADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1C(C)(C)C ZINC001474204703 1074292698 /nfs/dbraw/zinc/29/26/98/1074292698.db2.gz IWEOYOQSCZSWDM-OAQYLSRUSA-N 1 3 382.548 3.849 20 0 GHADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474211574 1074294995 /nfs/dbraw/zinc/29/49/95/1074294995.db2.gz UFCGFLNLPNWJBG-IBGZPJMESA-N 1 3 387.568 3.801 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001474646316 1074497287 /nfs/dbraw/zinc/49/72/87/1074497287.db2.gz YGFSBPAHTFDQTQ-GUDVDZBRSA-N 1 3 377.573 3.534 20 0 GHADHO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)[NH+](C)C ZINC001496633600 1079476561 /nfs/dbraw/zinc/47/65/61/1079476561.db2.gz YLNSKIBRZSPUFP-GGPKGHCWSA-N 1 3 392.636 3.687 20 0 GHADHO Cc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1C(F)(F)F ZINC000414387593 837584420 /nfs/dbraw/zinc/58/44/20/837584420.db2.gz BKJCFPTZHZDVDZ-UHFFFAOYSA-N 1 3 393.453 3.595 20 0 GHADHO CCN(CC)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655684324 837666585 /nfs/dbraw/zinc/66/65/85/837666585.db2.gz OAAVVVXGFPAUHB-UGKGYDQZSA-N 1 3 394.003 3.956 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccc(C[NH3+])cc1F ZINC000650718156 834662648 /nfs/dbraw/zinc/66/26/48/834662648.db2.gz ZTHSBWHRIJFAMZ-LBPRGKRZSA-N 1 3 394.288 3.554 20 0 GHADHO COc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1OCC(C)C ZINC000093734896 834701685 /nfs/dbraw/zinc/70/16/85/834701685.db2.gz YKQZUFVIIIGZLU-UHFFFAOYSA-N 1 3 390.568 3.807 20 0 GHADHO c1ncn(-c2ccc(CNC[C@@H]3C[N@H+](Cc4ccccc4)CC34CCC4)cc2)n1 ZINC000657772953 834719467 /nfs/dbraw/zinc/71/94/67/834719467.db2.gz YIWZMDGHZKIAHA-JOCHJYFZSA-N 1 3 387.531 3.659 20 0 GHADHO c1ncn(-c2ccc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cc2)n1 ZINC000657772953 834719470 /nfs/dbraw/zinc/71/94/70/834719470.db2.gz YIWZMDGHZKIAHA-JOCHJYFZSA-N 1 3 387.531 3.659 20 0 GHADHO c1ncn(-c2ccc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CC34CCC4)cc2)n1 ZINC000657772953 834719477 /nfs/dbraw/zinc/71/94/77/834719477.db2.gz YIWZMDGHZKIAHA-JOCHJYFZSA-N 1 3 387.531 3.659 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000139366239 834736313 /nfs/dbraw/zinc/73/63/13/834736313.db2.gz CJTRURJMSCNQJH-CVDCTZTESA-N 1 3 377.532 3.848 20 0 GHADHO C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471131653 834865007 /nfs/dbraw/zinc/86/50/07/834865007.db2.gz SHVIFEKZEWVNNZ-KKSFZXQISA-N 1 3 379.504 3.916 20 0 GHADHO C[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CCN1Cc1ccccc1 ZINC000433364344 844053557 /nfs/dbraw/zinc/05/35/57/844053557.db2.gz JMBRFQHQSBWYRL-NFBKMPQASA-N 1 3 379.548 3.802 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136492 835445737 /nfs/dbraw/zinc/44/57/37/835445737.db2.gz HDUUPNRRLXHZOT-LADGPHEKSA-N 1 3 392.543 3.745 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136492 835445742 /nfs/dbraw/zinc/44/57/42/835445742.db2.gz HDUUPNRRLXHZOT-LADGPHEKSA-N 1 3 392.543 3.745 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137764 835462867 /nfs/dbraw/zinc/46/28/67/835462867.db2.gz IHSVWNJOMMNRBT-HNAYVOBHSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137764 835462873 /nfs/dbraw/zinc/46/28/73/835462873.db2.gz IHSVWNJOMMNRBT-HNAYVOBHSA-N 1 3 376.447 3.705 20 0 GHADHO COc1ccc(C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1OC ZINC000658164989 835479987 /nfs/dbraw/zinc/47/99/87/835479987.db2.gz HABHZNQYFQUWSL-GOSISDBHSA-N 1 3 383.536 3.532 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000658168136 835482874 /nfs/dbraw/zinc/48/28/74/835482874.db2.gz VVWSCMNZLOMIOM-GOSISDBHSA-N 1 3 381.520 3.806 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000657833835 835746394 /nfs/dbraw/zinc/74/63/94/835746394.db2.gz LVVBDICUMIAVOR-HXUWFJFHSA-N 1 3 396.417 3.633 20 0 GHADHO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000584232201 835789077 /nfs/dbraw/zinc/78/90/77/835789077.db2.gz JLCXBFXDZOWNTI-UPJWGTAASA-N 1 3 389.849 3.617 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCCN3Cc3ccccc3)C2)CC1 ZINC000109660822 836460713 /nfs/dbraw/zinc/46/07/13/836460713.db2.gz GCIOEWYPCYYALT-XZOQPEGZSA-N 1 3 383.580 3.622 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659030401 837311313 /nfs/dbraw/zinc/31/13/13/837311313.db2.gz GOZIZNAKIRWHLD-QFIPXVFZSA-N 1 3 396.535 3.509 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659030401 837311319 /nfs/dbraw/zinc/31/13/19/837311319.db2.gz GOZIZNAKIRWHLD-QFIPXVFZSA-N 1 3 396.535 3.509 20 0 GHADHO Cc1ccccc1NC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177503221 837985817 /nfs/dbraw/zinc/98/58/17/837985817.db2.gz KMJJENNPVFIIJF-BGYRXZFFSA-N 1 3 387.568 3.535 20 0 GHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(-c2cnn(C)c2)c1 ZINC000549802066 844306766 /nfs/dbraw/zinc/30/67/66/844306766.db2.gz HXGILNYRKGZTTQ-PMACEKPBSA-N 1 3 396.579 3.717 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)N(C)C)cc1 ZINC000416005459 838393366 /nfs/dbraw/zinc/39/33/66/838393366.db2.gz IFDQZFQVBUHQLR-QFIPXVFZSA-N 1 3 380.536 3.913 20 0 GHADHO Cn1c2ccc(C[N@@H+]3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561730 838644467 /nfs/dbraw/zinc/64/44/67/838644467.db2.gz WWLMULLZPRYZGL-UXHICEINSA-N 1 3 393.556 3.554 20 0 GHADHO Cn1c2ccc(C[N@H+]3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561730 838644471 /nfs/dbraw/zinc/64/44/71/838644471.db2.gz WWLMULLZPRYZGL-UXHICEINSA-N 1 3 393.556 3.554 20 0 GHADHO CN(CC[C@H]1Sc2ccccc2NC1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659973112 839030613 /nfs/dbraw/zinc/03/06/13/839030613.db2.gz MCDGDYCNDNTVLC-DENIHFKCSA-N 1 3 395.572 3.943 20 0 GHADHO CN(CC[C@H]1Sc2ccccc2NC1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659973112 839030624 /nfs/dbraw/zinc/03/06/24/839030624.db2.gz MCDGDYCNDNTVLC-DENIHFKCSA-N 1 3 395.572 3.943 20 0 GHADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000415101035 839205157 /nfs/dbraw/zinc/20/51/57/839205157.db2.gz BLHPOXBEPFGEFB-PZJWPPBQSA-N 1 3 377.960 3.659 20 0 GHADHO CCCOc1c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cccc1OCC ZINC000415126579 839233125 /nfs/dbraw/zinc/23/31/25/839233125.db2.gz PQLXUWWSWVYRMM-FPOVZHCZSA-N 1 3 376.541 3.592 20 0 GHADHO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000378563595 839340142 /nfs/dbraw/zinc/34/01/42/839340142.db2.gz SLRQXWLXHLQUHO-IEBWSBKVSA-N 1 3 385.939 3.570 20 0 GHADHO COc1ccccc1[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)N(C)C ZINC000153299894 839536134 /nfs/dbraw/zinc/53/61/34/839536134.db2.gz NLXOGYKLTINXLR-HSZRJFAPSA-N 1 3 399.554 3.734 20 0 GHADHO [NH3+]CCC[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000417046975 840406653 /nfs/dbraw/zinc/40/66/53/840406653.db2.gz ZYHPZSFDEXCLSM-VXKWHMMOSA-N 1 3 380.536 3.603 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417222537 840616694 /nfs/dbraw/zinc/61/66/94/840616694.db2.gz QEKZZUMEIPBJRB-STZQEDGTSA-N 1 3 380.536 3.601 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)c2ccccc2)CC1 ZINC000417234086 840622224 /nfs/dbraw/zinc/62/22/24/840622224.db2.gz IFOCEAAIZAKLGG-QFIPXVFZSA-N 1 3 398.595 3.635 20 0 GHADHO Cc1ccc(-c2n[nH]cc2CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844213 840825401 /nfs/dbraw/zinc/82/54/01/840825401.db2.gz RWLSLVGHZVBZTM-ROUUACIJSA-N 1 3 386.540 3.689 20 0 GHADHO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844213 840825413 /nfs/dbraw/zinc/82/54/13/840825413.db2.gz RWLSLVGHZVBZTM-ROUUACIJSA-N 1 3 386.540 3.689 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549475433 841049006 /nfs/dbraw/zinc/04/90/06/841049006.db2.gz FISDXOSPAAYCOL-PXNSSMCTSA-N 1 3 394.991 3.897 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549475433 841049018 /nfs/dbraw/zinc/04/90/18/841049018.db2.gz FISDXOSPAAYCOL-PXNSSMCTSA-N 1 3 394.991 3.897 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000312593514 841208996 /nfs/dbraw/zinc/20/89/96/841208996.db2.gz DVPNTIWEBKPWPU-FXAWDEMLSA-N 1 3 378.438 3.851 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000312593514 841209008 /nfs/dbraw/zinc/20/90/08/841209008.db2.gz DVPNTIWEBKPWPU-FXAWDEMLSA-N 1 3 378.438 3.851 20 0 GHADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@@H]2OCCc3ccccc32)CC1 ZINC000511641632 841274210 /nfs/dbraw/zinc/27/42/10/841274210.db2.gz SKTFVVQZSVRPPO-DEOSSOPVSA-N 1 3 379.548 3.574 20 0 GHADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2OCCc3ccccc32)CC1 ZINC000511641632 841274219 /nfs/dbraw/zinc/27/42/19/841274219.db2.gz SKTFVVQZSVRPPO-DEOSSOPVSA-N 1 3 379.548 3.574 20 0 GHADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@H]2OCCc3ccccc32)CC1 ZINC000511641633 841274698 /nfs/dbraw/zinc/27/46/98/841274698.db2.gz SKTFVVQZSVRPPO-XMMPIXPASA-N 1 3 379.548 3.574 20 0 GHADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@H]2OCCc3ccccc32)CC1 ZINC000511641633 841274701 /nfs/dbraw/zinc/27/47/01/841274701.db2.gz SKTFVVQZSVRPPO-XMMPIXPASA-N 1 3 379.548 3.574 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000042908581 841591876 /nfs/dbraw/zinc/59/18/76/841591876.db2.gz RCASWRBXZCVLDO-UHFFFAOYSA-N 1 3 386.584 3.522 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000418225936 841669330 /nfs/dbraw/zinc/66/93/30/841669330.db2.gz AGCPRCSYEKZXGE-QRWLVFNGSA-N 1 3 386.565 3.530 20 0 GHADHO Brc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166356060 842017211 /nfs/dbraw/zinc/01/72/11/842017211.db2.gz LKCVHIRASSWPGS-RTBURBONSA-N 1 3 393.369 3.714 20 0 GHADHO Brc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166356060 842017220 /nfs/dbraw/zinc/01/72/20/842017220.db2.gz LKCVHIRASSWPGS-RTBURBONSA-N 1 3 393.369 3.714 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001167835223 842303215 /nfs/dbraw/zinc/30/32/15/842303215.db2.gz PHNJJKSLWMJRSE-SFHVURJKSA-N 1 3 380.598 3.780 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC001167492967 843059781 /nfs/dbraw/zinc/05/97/81/843059781.db2.gz VFKDREWPWLQVGI-HJOGWXRNSA-N 1 3 393.575 3.982 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC001167492967 843059795 /nfs/dbraw/zinc/05/97/95/843059795.db2.gz VFKDREWPWLQVGI-HJOGWXRNSA-N 1 3 393.575 3.982 20 0 GHADHO Cc1ccc(-c2ccc(C[NH2+]Cc3ccnc(N4CCN(C)CC4)c3)o2)cc1 ZINC000126051297 843060656 /nfs/dbraw/zinc/06/06/56/843060656.db2.gz YFOWHBPJXTYYGE-UHFFFAOYSA-N 1 3 376.504 3.692 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295103 843086909 /nfs/dbraw/zinc/08/69/09/843086909.db2.gz FFJPXUIVCNGBHZ-QKLQHJQFSA-N 1 3 383.536 3.710 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000662295100 843087131 /nfs/dbraw/zinc/08/71/31/843087131.db2.gz FFJPXUIVCNGBHZ-ABSDTBQOSA-N 1 3 383.536 3.710 20 0 GHADHO CCOc1ccccc1OCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327740 843155931 /nfs/dbraw/zinc/15/59/31/843155931.db2.gz LTSLDWOJUHPDES-UHFFFAOYSA-N 1 3 398.551 3.534 20 0 GHADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)cc21 ZINC000662375065 843175192 /nfs/dbraw/zinc/17/51/92/843175192.db2.gz QNNBUMGIRROFPQ-JTHBVZDNSA-N 1 3 377.532 3.632 20 0 GHADHO C[C@H]([NH3+])C1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000430960512 843266088 /nfs/dbraw/zinc/26/60/88/843266088.db2.gz JSABAMXZTDLXFN-KRWDZBQOSA-N 1 3 375.532 3.546 20 0 GHADHO O=C(c1cccc(CN2CCCC2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425015533 843384636 /nfs/dbraw/zinc/38/46/36/843384636.db2.gz VPZFMUMLHZKPBM-BJKOFHAPSA-N 1 3 389.543 3.629 20 0 GHADHO O=C(c1cccc(CN2CCCC2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425015533 843384650 /nfs/dbraw/zinc/38/46/50/843384650.db2.gz VPZFMUMLHZKPBM-BJKOFHAPSA-N 1 3 389.543 3.629 20 0 GHADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000431016527 843428960 /nfs/dbraw/zinc/42/89/60/843428960.db2.gz KFIGENUPYUBYFG-SFHVURJKSA-N 1 3 396.362 3.732 20 0 GHADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000431029261 843452989 /nfs/dbraw/zinc/45/29/89/843452989.db2.gz ZXMMCXGURLQIOE-KGLIPLIRSA-N 1 3 384.351 3.635 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnccc3-c3ccccc3)CC2)CC1 ZINC000614022373 843466869 /nfs/dbraw/zinc/46/68/69/843466869.db2.gz SLGXOQMTONJOQJ-UHFFFAOYSA-N 1 3 392.547 3.883 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418657835 843507035 /nfs/dbraw/zinc/50/70/35/843507035.db2.gz INUAABJWYUPWCT-NFBKMPQASA-N 1 3 394.563 3.773 20 0 GHADHO CN1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000179078914 861466413 /nfs/dbraw/zinc/46/64/13/861466413.db2.gz VQFQKJFXHLRQTD-PKTZIBPZSA-N 1 3 392.547 3.527 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000645199747 843946888 /nfs/dbraw/zinc/94/68/88/843946888.db2.gz JQUUVRCSQJIOKS-KRWDZBQOSA-N 1 3 382.483 3.803 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)NC1CCCCC1 ZINC000512621178 844766252 /nfs/dbraw/zinc/76/62/52/844766252.db2.gz VGTCXSDSQOAKIA-AKIFATBCSA-N 1 3 383.580 3.716 20 0 GHADHO Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]3CN(Cc4ccccc4)C[C@H]31)CCC2 ZINC000512624308 844818224 /nfs/dbraw/zinc/81/82/24/844818224.db2.gz ICEKSZASGGVYNB-WBADGQHESA-N 1 3 378.564 3.959 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)NCc1ccccc1 ZINC000512668286 844973185 /nfs/dbraw/zinc/97/31/85/844973185.db2.gz UISQLGWLMRJEOA-RBZQAINGSA-N 1 3 391.559 3.583 20 0 GHADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000513267159 845158376 /nfs/dbraw/zinc/15/83/76/845158376.db2.gz KOHWQCCPFCQSAQ-DNQXCXABSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000513267159 845158382 /nfs/dbraw/zinc/15/83/82/845158382.db2.gz KOHWQCCPFCQSAQ-DNQXCXABSA-N 1 3 391.559 3.679 20 0 GHADHO O=C1CC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]2N1C1CC1 ZINC000411402330 845413252 /nfs/dbraw/zinc/41/32/52/845413252.db2.gz ZZCVBZZUURVZLB-FYYLOGMGSA-N 1 3 381.564 3.648 20 0 GHADHO CCN(CC)[C@H](CNC(=O)CCC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000236875218 845602463 /nfs/dbraw/zinc/60/24/63/845602463.db2.gz HIANIWRGDAMFSI-LJQANCHMSA-N 1 3 399.501 3.984 20 0 GHADHO C[NH+](C)C1CCC(NCc2c(F)ccc(I)c2F)CC1 ZINC000421376654 846187238 /nfs/dbraw/zinc/18/72/38/846187238.db2.gz RXERWTODJJZREV-UHFFFAOYSA-N 1 3 394.247 3.532 20 0 GHADHO COCCOCc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582094291 846304185 /nfs/dbraw/zinc/30/41/85/846304185.db2.gz DRWMRCCIJVXZDM-DQEYMECFSA-N 1 3 394.559 3.804 20 0 GHADHO COCCOCc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582094291 846304195 /nfs/dbraw/zinc/30/41/95/846304195.db2.gz DRWMRCCIJVXZDM-DQEYMECFSA-N 1 3 394.559 3.804 20 0 GHADHO c1cc(CNCc2cccc(C[NH+]3CCCCCC3)c2)n(-c2ccncc2)n1 ZINC000657338857 846353893 /nfs/dbraw/zinc/35/38/93/846353893.db2.gz VWYIMXHRCJCPAM-UHFFFAOYSA-N 1 3 375.520 3.933 20 0 GHADHO c1cc(CNCc2ccccc2C[NH+]2CCCCCC2)n(-c2ccncc2)n1 ZINC000657359898 846508689 /nfs/dbraw/zinc/50/86/89/846508689.db2.gz RBKKFZMBZVPKFE-UHFFFAOYSA-N 1 3 375.520 3.933 20 0 GHADHO Cc1ccc(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501040879 846563997 /nfs/dbraw/zinc/56/39/97/846563997.db2.gz TVXIACIQSNCMKI-IBGZPJMESA-N 1 3 380.536 3.874 20 0 GHADHO Cc1ccc(Cl)cc1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501047859 846574297 /nfs/dbraw/zinc/57/42/97/846574297.db2.gz UBZBOGIWNUCCMR-UHFFFAOYSA-N 1 3 386.927 3.830 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000502896272 846589288 /nfs/dbraw/zinc/58/92/88/846589288.db2.gz UJJCUGDIWGLUEY-IRLDBZIGSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000502896272 846589293 /nfs/dbraw/zinc/58/92/93/846589293.db2.gz UJJCUGDIWGLUEY-IRLDBZIGSA-N 1 3 386.584 3.777 20 0 GHADHO C[NH+]1CCC(CNC(=O)Nc2cccc3ccsc32)(N2CCCCC2)CC1 ZINC000501234541 846763702 /nfs/dbraw/zinc/76/37/02/846763702.db2.gz KKHIWRZJJLYGHS-UHFFFAOYSA-N 1 3 386.565 3.973 20 0 GHADHO CCC[C@@H](Cc1ccccc1)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582368214 846970679 /nfs/dbraw/zinc/97/06/79/846970679.db2.gz ASQJOQMYDGCWBE-QFIPXVFZSA-N 1 3 385.596 3.710 20 0 GHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501729039 847137322 /nfs/dbraw/zinc/13/73/22/847137322.db2.gz GPMDGBHLOSATRD-LJQANCHMSA-N 1 3 399.501 3.860 20 0 GHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501729039 847137330 /nfs/dbraw/zinc/13/73/30/847137330.db2.gz GPMDGBHLOSATRD-LJQANCHMSA-N 1 3 399.501 3.860 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(N3CCOC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272811262 847179874 /nfs/dbraw/zinc/17/98/74/847179874.db2.gz ARCVBAYXDROITF-WIYYLYMNSA-N 1 3 379.504 3.786 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(N3CCOC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272811262 847179883 /nfs/dbraw/zinc/17/98/83/847179883.db2.gz ARCVBAYXDROITF-WIYYLYMNSA-N 1 3 379.504 3.786 20 0 GHADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000501791671 847186760 /nfs/dbraw/zinc/18/67/60/847186760.db2.gz AXBPOQGDLUXSLA-IAGOWNOFSA-N 1 3 379.976 3.960 20 0 GHADHO CCN1CCN(c2ccccc2N[C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000179774303 861770597 /nfs/dbraw/zinc/77/05/97/861770597.db2.gz VDSPCVHMRKKNJM-HXUWFJFHSA-N 1 3 396.579 3.942 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000501828453 847219929 /nfs/dbraw/zinc/21/99/29/847219929.db2.gz PJLFVQKFWBKIGF-IRLDBZIGSA-N 1 3 386.584 3.635 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000501828453 847219936 /nfs/dbraw/zinc/21/99/36/847219936.db2.gz PJLFVQKFWBKIGF-IRLDBZIGSA-N 1 3 386.584 3.635 20 0 GHADHO Cc1cc(Br)cn2c(C[NH2+]C3CCN(C4CCC4)CC3)cnc12 ZINC000273151095 847260514 /nfs/dbraw/zinc/26/05/14/847260514.db2.gz XOHBPTPWGWQNTK-UHFFFAOYSA-N 1 3 377.330 3.512 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501855212 847264629 /nfs/dbraw/zinc/26/46/29/847264629.db2.gz LXLBTRLMVACQEJ-JROBLHLSSA-N 1 3 398.595 3.602 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501855212 847264640 /nfs/dbraw/zinc/26/46/40/847264640.db2.gz LXLBTRLMVACQEJ-JROBLHLSSA-N 1 3 398.595 3.602 20 0 GHADHO COc1ccc(C[C@@H](C)C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1F ZINC000273677137 847404596 /nfs/dbraw/zinc/40/45/96/847404596.db2.gz GRXNGGBUBCZQHX-LJQANCHMSA-N 1 3 391.575 3.503 20 0 GHADHO COC[C@H](C)Oc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000657459657 847555987 /nfs/dbraw/zinc/55/59/87/847555987.db2.gz AUWPOACKNNEHNA-IBGZPJMESA-N 1 3 398.547 3.863 20 0 GHADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790542 847746050 /nfs/dbraw/zinc/74/60/50/847746050.db2.gz ZJQHWQFWVVDDSC-NHCUHLMSSA-N 1 3 399.579 3.745 20 0 GHADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790542 847746058 /nfs/dbraw/zinc/74/60/58/847746058.db2.gz ZJQHWQFWVVDDSC-NHCUHLMSSA-N 1 3 399.579 3.745 20 0 GHADHO COc1ccc([C@@H](NC2CCN(Cc3ccc(F)cc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422725494 847798902 /nfs/dbraw/zinc/79/89/02/847798902.db2.gz YCTLIWUAZPYTHQ-DNQXCXABSA-N 1 3 397.538 3.882 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422822159 847840125 /nfs/dbraw/zinc/84/01/25/847840125.db2.gz JHOZZUBKYPIEFV-YESZJQIVSA-N 1 3 379.932 3.578 20 0 GHADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2ccc(CN)nc2C)CC1)c1ccccc1 ZINC000422839893 847849681 /nfs/dbraw/zinc/84/96/81/847849681.db2.gz ANRHUEPJPRIFNQ-VGOFRKELSA-N 1 3 394.563 3.684 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)N(C)C)cc1 ZINC000611670460 847861203 /nfs/dbraw/zinc/86/12/03/847861203.db2.gz NSMGZARXIKQIPH-JOCHJYFZSA-N 1 3 386.584 3.512 20 0 GHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422876275 847877133 /nfs/dbraw/zinc/87/71/33/847877133.db2.gz FKPZTFCHNJEIEM-QAPCUYQASA-N 1 3 381.358 3.604 20 0 GHADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894512 847888804 /nfs/dbraw/zinc/88/88/04/847888804.db2.gz UALZJAPGLIQZKN-VQIMIIECSA-N 1 3 380.374 3.521 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)N(C)C)cc1 ZINC000611675534 847894436 /nfs/dbraw/zinc/89/44/36/847894436.db2.gz NNWFDISCPDGQJO-HSZRJFAPSA-N 1 3 396.579 3.625 20 0 GHADHO COC[C@@H](CCC[NH3+])N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423039746 847951465 /nfs/dbraw/zinc/95/14/65/847951465.db2.gz RJTBROAPRLVMFI-ZIAGYGMSSA-N 1 3 383.252 3.786 20 0 GHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000423093124 847976460 /nfs/dbraw/zinc/97/64/60/847976460.db2.gz FWHUYFLQPJANPU-UNTXSKPGSA-N 1 3 397.332 3.581 20 0 GHADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000604173438 861929718 /nfs/dbraw/zinc/92/97/18/861929718.db2.gz NWVHFXJMWJPFEX-QHCPKHFHSA-N 1 3 394.563 3.775 20 0 GHADHO CN(CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)Cc1ccccc1 ZINC000604179816 861938921 /nfs/dbraw/zinc/93/89/21/861938921.db2.gz QIONWRLRFWFNEY-HSZRJFAPSA-N 1 3 394.563 3.645 20 0 GHADHO Brc1cccc(OCCSCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166575688 848797648 /nfs/dbraw/zinc/79/76/48/848797648.db2.gz XHXMBVKECTZCRK-IAGOWNOFSA-N 1 3 399.398 3.778 20 0 GHADHO Brc1cccc(OCCSCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166575688 848797653 /nfs/dbraw/zinc/79/76/53/848797653.db2.gz XHXMBVKECTZCRK-IAGOWNOFSA-N 1 3 399.398 3.778 20 0 GHADHO C[NH+](C)CCC1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604207104 861947247 /nfs/dbraw/zinc/94/72/47/861947247.db2.gz ZIFVAHUVUBKANR-QFIPXVFZSA-N 1 3 386.584 3.587 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604188338 861951148 /nfs/dbraw/zinc/95/11/48/861951148.db2.gz LZPMXLGBLRRPOD-QFIPXVFZSA-N 1 3 386.584 3.777 20 0 GHADHO FC(F)(F)Oc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Br ZINC000323229887 848999016 /nfs/dbraw/zinc/99/90/16/848999016.db2.gz SRLHGOJWXRJJAT-GFCCVEGCSA-N 1 3 393.247 3.922 20 0 GHADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(SCC(F)F)cc1 ZINC000423403664 849909815 /nfs/dbraw/zinc/90/98/15/849909815.db2.gz ZHGYHQAFTCOCJN-SWLSCSKDSA-N 1 3 397.457 3.531 20 0 GHADHO Cc1c([C@@H](C)N[C@H](C)CCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423446399 849922158 /nfs/dbraw/zinc/92/21/58/849922158.db2.gz YSPZRVMWTRPZEJ-CHWSQXEVSA-N 1 3 380.334 3.506 20 0 GHADHO COc1ccccc1-c1ccc([C@H](C)[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747371 849947510 /nfs/dbraw/zinc/94/75/10/849947510.db2.gz RTRAPOFBMQNHHS-RBUKOAKNSA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747371 849947518 /nfs/dbraw/zinc/94/75/18/849947518.db2.gz RTRAPOFBMQNHHS-RBUKOAKNSA-N 1 3 395.547 3.552 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)c2ccccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000486912456 850228617 /nfs/dbraw/zinc/22/86/17/850228617.db2.gz UPJBIGJQIITCFL-CTNGQTDRSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)c2ccccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000486912456 850228629 /nfs/dbraw/zinc/22/86/29/850228629.db2.gz UPJBIGJQIITCFL-CTNGQTDRSA-N 1 3 379.548 3.779 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000486925501 850251419 /nfs/dbraw/zinc/25/14/19/850251419.db2.gz GFPHNFNXXDPYNM-HXUWFJFHSA-N 1 3 381.589 3.852 20 0 GHADHO CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964902 850256213 /nfs/dbraw/zinc/25/62/13/850256213.db2.gz ZVKJEZBJMQGJFK-RAFMOHDBSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964902 850256217 /nfs/dbraw/zinc/25/62/17/850256217.db2.gz ZVKJEZBJMQGJFK-RAFMOHDBSA-N 1 3 377.573 3.771 20 0 GHADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000424301519 850342812 /nfs/dbraw/zinc/34/28/12/850342812.db2.gz XMWKLPNMJSUUOF-KGLIPLIRSA-N 1 3 384.351 3.635 20 0 GHADHO C[NH2+]CCC1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000435375366 850424528 /nfs/dbraw/zinc/42/45/28/850424528.db2.gz UPDVPRHZGDMIJH-UHFFFAOYSA-N 1 3 380.458 3.772 20 0 GHADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC000424426153 850460608 /nfs/dbraw/zinc/46/06/08/850460608.db2.gz LUHHWXMKXACUPM-NRFANRHFSA-N 1 3 384.524 3.665 20 0 GHADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCN1Cc1ccccc1 ZINC000487782206 850886475 /nfs/dbraw/zinc/88/64/75/850886475.db2.gz LIGRDNNNQIOEHI-AUSIDOKSSA-N 1 3 398.595 3.603 20 0 GHADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487872936 850960274 /nfs/dbraw/zinc/96/02/74/850960274.db2.gz KTKASJMLLMRAGG-DHIUTWEWSA-N 1 3 383.580 3.766 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000514032487 851147930 /nfs/dbraw/zinc/14/79/30/851147930.db2.gz HNTOFEZDOUKANE-HSZRJFAPSA-N 1 3 396.579 3.939 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000514126923 851266723 /nfs/dbraw/zinc/26/67/23/851266723.db2.gz NOOKZRZPXRPICG-SJBKTWHCSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000514126923 851266727 /nfs/dbraw/zinc/26/67/27/851266727.db2.gz NOOKZRZPXRPICG-SJBKTWHCSA-N 1 3 386.584 3.776 20 0 GHADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000111240810 851578206 /nfs/dbraw/zinc/57/82/06/851578206.db2.gz MWWFFCVXSWBTTG-MRXNPFEDSA-N 1 3 375.340 3.539 20 0 GHADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000111240810 851578207 /nfs/dbraw/zinc/57/82/07/851578207.db2.gz MWWFFCVXSWBTTG-MRXNPFEDSA-N 1 3 375.340 3.539 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CS1 ZINC000488543121 851599210 /nfs/dbraw/zinc/59/92/10/851599210.db2.gz LGEZVLNXUITRBC-UXHICEINSA-N 1 3 389.609 3.522 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000438086991 852007485 /nfs/dbraw/zinc/00/74/85/852007485.db2.gz DCGZACLNJWYAIM-NRFANRHFSA-N 1 3 379.548 3.525 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000489233958 852152222 /nfs/dbraw/zinc/15/22/22/852152222.db2.gz RDHKAWKIEZOQPJ-GCJKJVERSA-N 1 3 382.552 3.629 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000489233958 852152229 /nfs/dbraw/zinc/15/22/29/852152229.db2.gz RDHKAWKIEZOQPJ-GCJKJVERSA-N 1 3 382.552 3.629 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517640244 852197603 /nfs/dbraw/zinc/19/76/03/852197603.db2.gz XXKZPTAAFPRSTA-MDNUFGMLSA-N 1 3 382.548 3.686 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517640244 852197611 /nfs/dbraw/zinc/19/76/11/852197611.db2.gz XXKZPTAAFPRSTA-MDNUFGMLSA-N 1 3 382.548 3.686 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000536261125 852257662 /nfs/dbraw/zinc/25/76/62/852257662.db2.gz ALSRTUUCDFCGEM-XZOQPEGZSA-N 1 3 377.532 3.846 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000536261125 852257672 /nfs/dbraw/zinc/25/76/72/852257672.db2.gz ALSRTUUCDFCGEM-XZOQPEGZSA-N 1 3 377.532 3.846 20 0 GHADHO CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000507513438 852991428 /nfs/dbraw/zinc/99/14/28/852991428.db2.gz RNDMHBDMQUQGNY-FNAHDJPLSA-N 1 3 392.591 3.996 20 0 GHADHO COc1ccc(Br)c(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167962055 853089694 /nfs/dbraw/zinc/08/96/94/853089694.db2.gz UAVUERUQPZJGBI-AYHJJNSGSA-N 1 3 393.369 3.995 20 0 GHADHO COc1ccc(Br)c(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167962055 853089700 /nfs/dbraw/zinc/08/97/00/853089700.db2.gz UAVUERUQPZJGBI-AYHJJNSGSA-N 1 3 393.369 3.995 20 0 GHADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518374146 853270871 /nfs/dbraw/zinc/27/08/71/853270871.db2.gz WSFWYMFYAXOOEA-GIWBLDEGSA-N 1 3 394.563 3.654 20 0 GHADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518374146 853270876 /nfs/dbraw/zinc/27/08/76/853270876.db2.gz WSFWYMFYAXOOEA-GIWBLDEGSA-N 1 3 394.563 3.654 20 0 GHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000112545922 854246758 /nfs/dbraw/zinc/24/67/58/854246758.db2.gz NTHBXAREDQFXJA-UZLBHIALSA-N 1 3 385.939 3.888 20 0 GHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000112545922 854246764 /nfs/dbraw/zinc/24/67/64/854246764.db2.gz NTHBXAREDQFXJA-UZLBHIALSA-N 1 3 385.939 3.888 20 0 GHADHO C[C@H]1CN(CC2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000588710279 854368677 /nfs/dbraw/zinc/36/86/77/854368677.db2.gz JAUUSZKGGCLPCQ-ROUUACIJSA-N 1 3 380.960 3.930 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167995186 854430671 /nfs/dbraw/zinc/43/06/71/854430671.db2.gz YJHXKRGKMLWYSF-DQKSBWHRSA-N 1 3 389.584 3.581 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167995186 854430675 /nfs/dbraw/zinc/43/06/75/854430675.db2.gz YJHXKRGKMLWYSF-DQKSBWHRSA-N 1 3 389.584 3.581 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000674012306 862650256 /nfs/dbraw/zinc/65/02/56/862650256.db2.gz OFTWNHKYBYXZFX-JOCHJYFZSA-N 1 3 383.580 3.684 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000674012306 862650263 /nfs/dbraw/zinc/65/02/63/862650263.db2.gz OFTWNHKYBYXZFX-JOCHJYFZSA-N 1 3 383.580 3.684 20 0 GHADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000589950621 855203369 /nfs/dbraw/zinc/20/33/69/855203369.db2.gz FCACGNUWMLHQND-UNMCSNQZSA-N 1 3 387.543 3.515 20 0 GHADHO CCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459060756 855378797 /nfs/dbraw/zinc/37/87/97/855378797.db2.gz OQKGNGNQNVFGLF-GLCCWIKHSA-N 1 3 398.595 3.698 20 0 GHADHO CCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459060756 855378807 /nfs/dbraw/zinc/37/88/07/855378807.db2.gz OQKGNGNQNVFGLF-GLCCWIKHSA-N 1 3 398.595 3.698 20 0 GHADHO CC[NH+](CC)CCOCCN[C@H]1CCCOc2cc(Br)ccc21 ZINC000542682639 855399691 /nfs/dbraw/zinc/39/96/91/855399691.db2.gz GVOQIHBSNJFDMX-KRWDZBQOSA-N 1 3 385.346 3.611 20 0 GHADHO CC[NH+](CC)CCOCCN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000542682640 855419484 /nfs/dbraw/zinc/41/94/84/855419484.db2.gz GVOQIHBSNJFDMX-QGZVFWFLSA-N 1 3 385.346 3.611 20 0 GHADHO CN(CCCO)C1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000604998669 862684418 /nfs/dbraw/zinc/68/44/18/862684418.db2.gz QBMPXBWDLRFLTO-DJWKRKHSSA-N 1 3 381.358 3.631 20 0 GHADHO CC1(C)Cc2occc2[C@@H](NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000180976666 862698751 /nfs/dbraw/zinc/69/87/51/862698751.db2.gz LGGPQLMTSZFKRY-NRFANRHFSA-N 1 3 395.547 3.909 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](C2CC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168002870 855651204 /nfs/dbraw/zinc/65/12/04/855651204.db2.gz ZWWOTHMXYUOMKO-JQKXYWIWSA-N 1 3 389.584 3.866 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](C2CC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168002870 855651208 /nfs/dbraw/zinc/65/12/08/855651208.db2.gz ZWWOTHMXYUOMKO-JQKXYWIWSA-N 1 3 389.584 3.866 20 0 GHADHO CC[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)s1 ZINC000180997386 862711477 /nfs/dbraw/zinc/71/14/77/862711477.db2.gz SKWWTYJSLLVJDA-MRXNPFEDSA-N 1 3 379.957 3.934 20 0 GHADHO CN(CCC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152375092 855842944 /nfs/dbraw/zinc/84/29/44/855842944.db2.gz NTUALBURGSOZSQ-AVRDEDQJSA-N 1 3 385.577 3.617 20 0 GHADHO CN(CCC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152375092 855842946 /nfs/dbraw/zinc/84/29/46/855842946.db2.gz NTUALBURGSOZSQ-AVRDEDQJSA-N 1 3 385.577 3.617 20 0 GHADHO CN(C)[C@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000108412459 855868693 /nfs/dbraw/zinc/86/86/93/855868693.db2.gz IRBQUOBXRYFPOT-JOCHJYFZSA-N 1 3 386.584 3.587 20 0 GHADHO CN(C)[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000108412459 855868698 /nfs/dbraw/zinc/86/86/98/855868698.db2.gz IRBQUOBXRYFPOT-JOCHJYFZSA-N 1 3 386.584 3.587 20 0 GHADHO C[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C[NH+]1CCCC1 ZINC000303011346 856000607 /nfs/dbraw/zinc/00/06/07/856000607.db2.gz WZEXUSVAMHHEGS-MOPGFXCFSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000674310624 856159866 /nfs/dbraw/zinc/15/98/66/856159866.db2.gz RRORZYAAUZLIHG-HXUWFJFHSA-N 1 3 379.548 3.923 20 0 GHADHO Cc1ccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1Cl ZINC000195443867 856420689 /nfs/dbraw/zinc/42/06/89/856420689.db2.gz PFWYYEAYIGYFOF-UHFFFAOYSA-N 1 3 385.939 3.764 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000669427623 856448349 /nfs/dbraw/zinc/44/83/49/856448349.db2.gz MDODRCYKKWOHCR-ZRBLBEILSA-N 1 3 398.595 3.553 20 0 GHADHO Cn1ccc(-c2nc(CNCC3CC[NH+](Cc4cccs4)CC3)cs2)n1 ZINC000921632401 856458445 /nfs/dbraw/zinc/45/84/45/856458445.db2.gz YHDIUUXITDLCOJ-UHFFFAOYSA-N 1 3 387.578 3.607 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000485464999 856608455 /nfs/dbraw/zinc/60/84/55/856608455.db2.gz MVJGLMHETMQTGX-LJQANCHMSA-N 1 3 390.597 3.545 20 0 GHADHO COc1ccccc1NC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000574174456 857260773 /nfs/dbraw/zinc/26/07/73/857260773.db2.gz ODFBKGLXDSCOSR-NRFANRHFSA-N 1 3 381.520 3.524 20 0 GHADHO [NH3+]CCC[C@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)c1ccccc1 ZINC000669483767 857504580 /nfs/dbraw/zinc/50/45/80/857504580.db2.gz LZLGWAOXIFQNKC-GOTSBHOMSA-N 1 3 394.563 3.993 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000062428196 857569113 /nfs/dbraw/zinc/56/91/13/857569113.db2.gz UOSXPQAODUNLAH-QHCPKHFHSA-N 1 3 394.563 3.562 20 0 GHADHO C[C@](CO)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000478177328 857773703 /nfs/dbraw/zinc/77/37/03/857773703.db2.gz OHFFMUTVRXPXHW-CXSMSNRLSA-N 1 3 378.560 3.728 20 0 GHADHO Cc1cc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568529 857871340 /nfs/dbraw/zinc/87/13/40/857871340.db2.gz SLFJGAXURMTENX-KNQAVFIVSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1cc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568529 857871343 /nfs/dbraw/zinc/87/13/43/857871343.db2.gz SLFJGAXURMTENX-KNQAVFIVSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568529 857871346 /nfs/dbraw/zinc/87/13/46/857871346.db2.gz SLFJGAXURMTENX-KNQAVFIVSA-N 1 3 375.520 3.576 20 0 GHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OCc2ccccc2)c1 ZINC000442871332 858188572 /nfs/dbraw/zinc/18/85/72/858188572.db2.gz FQAPVWBAAARQQQ-HXUWFJFHSA-N 1 3 381.564 3.942 20 0 GHADHO COc1cccc(C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc2)c1 ZINC000442889734 858210582 /nfs/dbraw/zinc/21/05/82/858210582.db2.gz LEOUQIHCFKAEDL-QHCPKHFHSA-N 1 3 381.564 3.595 20 0 GHADHO CCCc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000594785852 858280306 /nfs/dbraw/zinc/28/03/06/858280306.db2.gz XXUWYGCLDANBMH-HSZRJFAPSA-N 1 3 379.548 3.626 20 0 GHADHO CCCc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000594785852 858280316 /nfs/dbraw/zinc/28/03/16/858280316.db2.gz XXUWYGCLDANBMH-HSZRJFAPSA-N 1 3 379.548 3.626 20 0 GHADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000594969852 858334374 /nfs/dbraw/zinc/33/43/74/858334374.db2.gz QXEJBGPFPUCXEN-KNQAVFIVSA-N 1 3 387.568 3.785 20 0 GHADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(C(=O)OC)cc1 ZINC000595066735 858369773 /nfs/dbraw/zinc/36/97/73/858369773.db2.gz JYONVXXYLICCBB-QFIPXVFZSA-N 1 3 381.520 3.821 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000522044004 858565844 /nfs/dbraw/zinc/56/58/44/858565844.db2.gz GKBRUMWULCAFMS-AUSIDOKSSA-N 1 3 394.563 3.773 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000522044004 858565852 /nfs/dbraw/zinc/56/58/52/858565852.db2.gz GKBRUMWULCAFMS-AUSIDOKSSA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000522078151 858588746 /nfs/dbraw/zinc/58/87/46/858588746.db2.gz NNHNAFOWBBCCHD-YYDVJCTNSA-N 1 3 398.595 3.543 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000522078151 858588752 /nfs/dbraw/zinc/58/87/52/858588752.db2.gz NNHNAFOWBBCCHD-YYDVJCTNSA-N 1 3 398.595 3.543 20 0 GHADHO COC(=O)c1ccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000595900181 858711396 /nfs/dbraw/zinc/71/13/96/858711396.db2.gz AGOMEKMPCFDQFW-IBGZPJMESA-N 1 3 399.560 3.808 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000474060920 858740224 /nfs/dbraw/zinc/74/02/24/858740224.db2.gz SHFJCLFYKRIGSU-TZRRMPRUSA-N 1 3 385.596 3.509 20 0 GHADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000522338334 859078595 /nfs/dbraw/zinc/07/85/95/859078595.db2.gz LUEBZEGGZBUUJQ-RTBURBONSA-N 1 3 392.613 3.551 20 0 GHADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000522338334 859078606 /nfs/dbraw/zinc/07/86/06/859078606.db2.gz LUEBZEGGZBUUJQ-RTBURBONSA-N 1 3 392.613 3.551 20 0 GHADHO Cc1nc(CNCC2CC[NH+](Cc3ccncc3)CC2)sc1Br ZINC000922244894 859176195 /nfs/dbraw/zinc/17/61/95/859176195.db2.gz YJIDZKGHIGLGBH-UHFFFAOYSA-N 1 3 395.370 3.611 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000443653132 859188695 /nfs/dbraw/zinc/18/86/95/859188695.db2.gz LWAVHJJKNZBRNX-GUDVDZBRSA-N 1 3 392.613 3.503 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000443653132 859188700 /nfs/dbraw/zinc/18/87/00/859188700.db2.gz LWAVHJJKNZBRNX-GUDVDZBRSA-N 1 3 392.613 3.503 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1N1CCN(C)CC1 ZINC000483298778 859279871 /nfs/dbraw/zinc/27/98/71/859279871.db2.gz WDHXEIMZVMLSTK-OXQOHEQNSA-N 1 3 389.490 3.683 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1N1CCN(C)CC1 ZINC000483298778 859279878 /nfs/dbraw/zinc/27/98/78/859279878.db2.gz WDHXEIMZVMLSTK-OXQOHEQNSA-N 1 3 389.490 3.683 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000195343776 859375690 /nfs/dbraw/zinc/37/56/90/859375690.db2.gz PQHKEAGFNMIAEJ-HSZRJFAPSA-N 1 3 398.595 3.872 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000483720681 859558958 /nfs/dbraw/zinc/55/89/58/859558958.db2.gz GLVWEFSYGKFXHH-FCIYXJNOSA-N 1 3 393.641 3.858 20 0 GHADHO CCc1ccc([C@@H](CN2CCOCC2)NCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000543402523 859585055 /nfs/dbraw/zinc/58/50/55/859585055.db2.gz JMQGQXVKWNHJBC-RUZDIDTESA-N 1 3 395.591 3.864 20 0 GHADHO CCc1ccc([C@@H](CN2CCOCC2)NCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000543402523 859585059 /nfs/dbraw/zinc/58/50/59/859585059.db2.gz JMQGQXVKWNHJBC-RUZDIDTESA-N 1 3 395.591 3.864 20 0 GHADHO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC000729545071 859732124 /nfs/dbraw/zinc/73/21/24/859732124.db2.gz RMUUQVULRHULFQ-RBUKOAKNSA-N 1 3 386.584 3.666 20 0 GHADHO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC000729545071 859732129 /nfs/dbraw/zinc/73/21/29/859732129.db2.gz RMUUQVULRHULFQ-RBUKOAKNSA-N 1 3 386.584 3.666 20 0 GHADHO COCCC[NH+]1CCC(N[C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536178183 860270362 /nfs/dbraw/zinc/27/03/62/860270362.db2.gz CGHCIJVGFGGORC-LJQANCHMSA-N 1 3 381.358 3.917 20 0 GHADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000116157752 860478062 /nfs/dbraw/zinc/47/80/62/860478062.db2.gz ICWPMKPAOLRKOG-JOCHJYFZSA-N 1 3 397.538 3.628 20 0 GHADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000116157752 860478067 /nfs/dbraw/zinc/47/80/67/860478067.db2.gz ICWPMKPAOLRKOG-JOCHJYFZSA-N 1 3 397.538 3.628 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000155323047 860480865 /nfs/dbraw/zinc/48/08/65/860480865.db2.gz IVRWSHHPHBDRLY-FCHUYYIVSA-N 1 3 386.584 3.512 20 0 GHADHO Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(C(C)C)cc1Cl ZINC000429026879 860744484 /nfs/dbraw/zinc/74/44/84/860744484.db2.gz AINANYIREGOGCJ-DYESRHJHSA-N 1 3 380.960 3.539 20 0 GHADHO Cc1cc(OC[C@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(C(C)C)cc1Cl ZINC000429026879 860744490 /nfs/dbraw/zinc/74/44/90/860744490.db2.gz AINANYIREGOGCJ-DYESRHJHSA-N 1 3 380.960 3.539 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600068074 860885852 /nfs/dbraw/zinc/88/58/52/860885852.db2.gz MESQVWGQAJDQLZ-NFBKMPQASA-N 1 3 385.596 3.566 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600068074 860885864 /nfs/dbraw/zinc/88/58/64/860885864.db2.gz MESQVWGQAJDQLZ-NFBKMPQASA-N 1 3 385.596 3.566 20 0 GHADHO CCC[NH+]1CCC(CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600073060 860897853 /nfs/dbraw/zinc/89/78/53/860897853.db2.gz FECGCJHXECDKRX-FQEVSTJZSA-N 1 3 385.596 3.568 20 0 GHADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446045 861076424 /nfs/dbraw/zinc/07/64/24/861076424.db2.gz OIXLOVBQEXJQMJ-KBPBESRZSA-N 1 3 390.881 3.795 20 0 GHADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446045 861076443 /nfs/dbraw/zinc/07/64/43/861076443.db2.gz OIXLOVBQEXJQMJ-KBPBESRZSA-N 1 3 390.881 3.795 20 0 GHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182267223 863168770 /nfs/dbraw/zinc/16/87/70/863168770.db2.gz KQOKYUOKRUIDGR-GMAHTHKFSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182267223 863168775 /nfs/dbraw/zinc/16/87/75/863168775.db2.gz KQOKYUOKRUIDGR-GMAHTHKFSA-N 1 3 380.532 3.874 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000482562844 863315898 /nfs/dbraw/zinc/31/58/98/863315898.db2.gz DPIUUOBHFIILKB-UNMCSNQZSA-N 1 3 399.966 3.801 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000482562844 863315908 /nfs/dbraw/zinc/31/59/08/863315908.db2.gz DPIUUOBHFIILKB-UNMCSNQZSA-N 1 3 399.966 3.801 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000621642598 864347115 /nfs/dbraw/zinc/34/71/15/864347115.db2.gz RBUSZLXZGJLLEO-APWZRJJASA-N 1 3 399.501 3.984 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCCOc3cc(C)ccc32)c1 ZINC000163629106 864543608 /nfs/dbraw/zinc/54/36/08/864543608.db2.gz SOUWWBGVEMECLL-HSZRJFAPSA-N 1 3 398.547 3.956 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCCOc3cc(C)ccc32)c1 ZINC000163629106 864543630 /nfs/dbraw/zinc/54/36/30/864543630.db2.gz SOUWWBGVEMECLL-HSZRJFAPSA-N 1 3 398.547 3.956 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000163639889 864546177 /nfs/dbraw/zinc/54/61/77/864546177.db2.gz BAUNAXSOIWQPJP-QFIPXVFZSA-N 1 3 384.520 3.647 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000163639889 864546191 /nfs/dbraw/zinc/54/61/91/864546191.db2.gz BAUNAXSOIWQPJP-QFIPXVFZSA-N 1 3 384.520 3.647 20 0 GHADHO Cc1cccc(N2CCN(CCC(=O)Nc3ccc(C[NH+](C)C)c(C)c3)CC2)c1 ZINC001142008281 864819335 /nfs/dbraw/zinc/81/93/35/864819335.db2.gz VDTYSKRPOJRBSG-UHFFFAOYSA-N 1 3 394.563 3.516 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(-n2cncn2)cc1Cl ZINC000120937593 881808857 /nfs/dbraw/zinc/80/88/57/881808857.db2.gz SRGMEXWVLDCLJN-AWEZNQCLSA-N 1 3 387.890 3.972 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(Cl)c(C)c2)CC1 ZINC000554874898 865075023 /nfs/dbraw/zinc/07/50/23/865075023.db2.gz NPPFFQOCZJTOBH-UHFFFAOYSA-N 1 3 379.976 3.709 20 0 GHADHO CCCOC[C@@H](Cc1cccc(Br)c1)NC1CC[NH+](CC)CC1 ZINC000480664502 865082032 /nfs/dbraw/zinc/08/20/32/865082032.db2.gz NCEKSWLWPLARCQ-LJQANCHMSA-N 1 3 383.374 3.861 20 0 GHADHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1Oc1cccnc1 ZINC000665639066 865164770 /nfs/dbraw/zinc/16/47/70/865164770.db2.gz KVEPDLPCWGQACE-SFHVURJKSA-N 1 3 399.539 3.576 20 0 GHADHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1Oc1cccnc1 ZINC000665639066 865164777 /nfs/dbraw/zinc/16/47/77/865164777.db2.gz KVEPDLPCWGQACE-SFHVURJKSA-N 1 3 399.539 3.576 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1CN1CCCCC1 ZINC000840876801 865325730 /nfs/dbraw/zinc/32/57/30/865325730.db2.gz OIWNYCKGXGDCEX-QGZVFWFLSA-N 1 3 396.597 3.545 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3C)CC2)c1 ZINC000667769194 865442377 /nfs/dbraw/zinc/44/23/77/865442377.db2.gz ATZDCHLBYLBEBN-UHFFFAOYSA-N 1 3 380.536 3.844 20 0 GHADHO CC(C)c1nn(-c2ccccc2)cc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121078423 881908577 /nfs/dbraw/zinc/90/85/77/881908577.db2.gz FLTPSSOJKSOJIQ-IBGZPJMESA-N 1 3 384.568 3.520 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC[N@@H+]1C ZINC000444715545 867127709 /nfs/dbraw/zinc/12/77/09/867127709.db2.gz DGGGVJRBFXJYSG-IRLDBZIGSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC[N@H+]1C ZINC000444715545 867127723 /nfs/dbraw/zinc/12/77/23/867127723.db2.gz DGGGVJRBFXJYSG-IRLDBZIGSA-N 1 3 398.595 3.699 20 0 GHADHO CN1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@@H]1c1ccccc1 ZINC000857165779 882072087 /nfs/dbraw/zinc/07/20/87/882072087.db2.gz ZKYQKOJNRIZBHV-VABKMULXSA-N 1 3 377.532 3.671 20 0 GHADHO CN1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@@H]1c1ccccc1 ZINC000857165779 882072100 /nfs/dbraw/zinc/07/21/00/882072100.db2.gz ZKYQKOJNRIZBHV-VABKMULXSA-N 1 3 377.532 3.671 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000620763628 867320486 /nfs/dbraw/zinc/32/04/86/867320486.db2.gz BBTUAHSJHSUETK-OAQYLSRUSA-N 1 3 380.536 3.782 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000620763628 867320498 /nfs/dbraw/zinc/32/04/98/867320498.db2.gz BBTUAHSJHSUETK-OAQYLSRUSA-N 1 3 380.536 3.782 20 0 GHADHO O=C(c1ccccc1F)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000155122956 867760321 /nfs/dbraw/zinc/76/03/21/867760321.db2.gz CAPQKOJOBMUIKD-UHFFFAOYSA-N 1 3 387.543 3.817 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2OCc2ccccc2)CC1 ZINC000155607096 867976665 /nfs/dbraw/zinc/97/66/65/867976665.db2.gz DMZBTRGOFNBELX-NHCUHLMSSA-N 1 3 381.564 3.942 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000155648425 868002395 /nfs/dbraw/zinc/00/23/95/868002395.db2.gz VPXTXXUDODDETO-LSDHHAIUSA-N 1 3 378.611 3.857 20 0 GHADHO CN(C)C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258896 882151093 /nfs/dbraw/zinc/15/10/93/882151093.db2.gz IYVQQRSNEUFVPZ-IRLDBZIGSA-N 1 3 383.511 3.668 20 0 GHADHO CN(C)C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258896 882151096 /nfs/dbraw/zinc/15/10/96/882151096.db2.gz IYVQQRSNEUFVPZ-IRLDBZIGSA-N 1 3 383.511 3.668 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000155777274 868096306 /nfs/dbraw/zinc/09/63/06/868096306.db2.gz RVCBULGFAYZFHH-MOPGFXCFSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000155777274 868096322 /nfs/dbraw/zinc/09/63/22/868096322.db2.gz RVCBULGFAYZFHH-MOPGFXCFSA-N 1 3 390.535 3.745 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC000729585145 868157508 /nfs/dbraw/zinc/15/75/08/868157508.db2.gz OUNQVSXJPHSJQD-QHCPKHFHSA-N 1 3 396.579 3.755 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000457467625 868310127 /nfs/dbraw/zinc/31/01/27/868310127.db2.gz CAKHELVAFVZKMW-MOPGFXCFSA-N 1 3 392.613 3.552 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000457467625 868310139 /nfs/dbraw/zinc/31/01/39/868310139.db2.gz CAKHELVAFVZKMW-MOPGFXCFSA-N 1 3 392.613 3.552 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000156700318 868441521 /nfs/dbraw/zinc/44/15/21/868441521.db2.gz OKGUIHNCLIQQMA-DXIQSLLYSA-N 1 3 387.568 3.601 20 0 GHADHO Cc1cccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1C ZINC000156897236 868495196 /nfs/dbraw/zinc/49/51/96/868495196.db2.gz UYIBRSPJGONKMK-UGKGYDQZSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1cccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1C ZINC000156897236 868495204 /nfs/dbraw/zinc/49/52/04/868495204.db2.gz UYIBRSPJGONKMK-UGKGYDQZSA-N 1 3 379.548 3.852 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000535398457 868690915 /nfs/dbraw/zinc/69/09/15/868690915.db2.gz SAEKQORJZPOVBU-RJGXRXQPSA-N 1 3 392.547 3.568 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)n(C)c1C ZINC000462798054 870101134 /nfs/dbraw/zinc/10/11/34/870101134.db2.gz ITPIDWZCSHFBFN-UHFFFAOYSA-N 1 3 383.536 3.786 20 0 GHADHO CC(=O)N1CC[C@@H](N[C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462815619 870145060 /nfs/dbraw/zinc/14/50/60/870145060.db2.gz YEPYKDGWNLZMJA-YADHBBJMSA-N 1 3 375.532 3.589 20 0 GHADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043233 870292100 /nfs/dbraw/zinc/29/21/00/870292100.db2.gz SBRWQNRADNEVIJ-XQBPLPMBSA-N 1 3 386.584 3.703 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000248395692 870365010 /nfs/dbraw/zinc/36/50/10/870365010.db2.gz GOZVEDZKEIETSS-GPJHCHHRSA-N 1 3 376.548 3.551 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000248395692 870365027 /nfs/dbraw/zinc/36/50/27/870365027.db2.gz GOZVEDZKEIETSS-GPJHCHHRSA-N 1 3 376.548 3.551 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000248395692 870365046 /nfs/dbraw/zinc/36/50/46/870365046.db2.gz GOZVEDZKEIETSS-GPJHCHHRSA-N 1 3 376.548 3.551 20 0 GHADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408754 870389977 /nfs/dbraw/zinc/38/99/77/870389977.db2.gz VVNSHAXJVRPLBI-XKCSPQBFSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408754 870389988 /nfs/dbraw/zinc/38/99/88/870389988.db2.gz VVNSHAXJVRPLBI-XKCSPQBFSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@@H](NC[C@H](C)C[NH2+][C@H](C)[C@H]1COc2ccccc21)[C@@H]1COc2ccccc21 ZINC000248643343 870572054 /nfs/dbraw/zinc/57/20/54/870572054.db2.gz ZZPDGYQDRCHOGR-CAYXOIJASA-N 1 3 380.532 3.931 20 0 GHADHO C[C@H](CN[C@H](C)[C@H]1COc2ccccc21)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000248643343 870572065 /nfs/dbraw/zinc/57/20/65/870572065.db2.gz ZZPDGYQDRCHOGR-CAYXOIJASA-N 1 3 380.532 3.931 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cncc(C(F)(F)F)c1 ZINC000463107222 870898381 /nfs/dbraw/zinc/89/83/81/870898381.db2.gz LKALVKKGBSDHIE-UHFFFAOYSA-N 1 3 398.517 3.729 20 0 GHADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000539059133 871196546 /nfs/dbraw/zinc/19/65/46/871196546.db2.gz CKASGWPHRYNSMO-AABGKKOBSA-N 1 3 378.944 3.830 20 0 GHADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000539063545 871210102 /nfs/dbraw/zinc/21/01/02/871210102.db2.gz KNNHULGLEDUSEI-ZCNNSNEGSA-N 1 3 378.944 3.830 20 0 GHADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(N2CCN(C(C)C)CC2)nc1 ZINC001169698579 871782591 /nfs/dbraw/zinc/78/25/91/871782591.db2.gz RTGGAZGHOBTQLI-OAQYLSRUSA-N 1 3 379.552 3.852 20 0 GHADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc(NC(N)=O)cc2)ccc1OC ZINC000182311842 872172431 /nfs/dbraw/zinc/17/24/31/872172431.db2.gz ROIRNCWLPFCQOG-MRXNPFEDSA-N 1 3 384.524 3.878 20 0 GHADHO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000857926377 882643401 /nfs/dbraw/zinc/64/34/01/882643401.db2.gz UHOXIFIJYBKOAJ-BRWVUGGUSA-N 1 3 384.442 3.644 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCNc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000163108280 872819551 /nfs/dbraw/zinc/81/95/51/872819551.db2.gz PPZJACSLKHHSAF-RHSMWYFYSA-N 1 3 389.371 3.527 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCNc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000163108280 872819556 /nfs/dbraw/zinc/81/95/56/872819556.db2.gz PPZJACSLKHHSAF-RHSMWYFYSA-N 1 3 389.371 3.527 20 0 GHADHO CCOC(=O)c1c[nH]nc1[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001196534814 873187376 /nfs/dbraw/zinc/18/73/76/873187376.db2.gz FHIKEASVEQNJOX-FQEVSTJZSA-N 1 3 396.535 3.562 20 0 GHADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C(=O)N1CCCC1 ZINC000528012883 873883752 /nfs/dbraw/zinc/88/37/52/873883752.db2.gz BRFUIPHAWGQUTE-YPAWHYETSA-N 1 3 383.580 3.525 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CCOc3cccc(C(C)(C)C)c3)CC2)CC1 ZINC000541661864 874066573 /nfs/dbraw/zinc/06/65/73/874066573.db2.gz FAIXKOSBIQIWIL-UHFFFAOYSA-N 1 3 387.612 3.712 20 0 GHADHO CC[NH+](CC)CC1CCN(Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000449011752 874320389 /nfs/dbraw/zinc/32/03/89/874320389.db2.gz ULSJMRIZBHXILC-UHFFFAOYSA-N 1 3 379.976 3.730 20 0 GHADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc2ccccc21 ZINC000449233426 874622909 /nfs/dbraw/zinc/62/29/09/874622909.db2.gz LNXIQNPMYPLWHD-JOCHJYFZSA-N 1 3 376.500 3.705 20 0 GHADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc2ccccc21 ZINC000449233426 874622915 /nfs/dbraw/zinc/62/29/15/874622915.db2.gz LNXIQNPMYPLWHD-JOCHJYFZSA-N 1 3 376.500 3.705 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000449282502 874666966 /nfs/dbraw/zinc/66/69/66/874666966.db2.gz HDIKXPBZJWREHX-UKDVSSAZSA-N 1 3 396.550 3.977 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449320331 874726981 /nfs/dbraw/zinc/72/69/81/874726981.db2.gz NIJQATJKMJTSCX-KRWDZBQOSA-N 1 3 395.538 3.628 20 0 GHADHO COCCn1cc(CN2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000449411427 874834555 /nfs/dbraw/zinc/83/45/55/874834555.db2.gz BIQCCBQGXUKRID-HSZRJFAPSA-N 1 3 396.579 3.652 20 0 GHADHO c1ncn(-c2ccccc2CNCc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC001199896487 875216648 /nfs/dbraw/zinc/21/66/48/875216648.db2.gz MESKEIVVPDHAJT-UHFFFAOYSA-N 1 3 375.520 3.933 20 0 GHADHO O[C@@H](C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)CN1CCCC1 ZINC000776034097 875251802 /nfs/dbraw/zinc/25/18/02/875251802.db2.gz PUIYUBACLUMLMT-WMLDXEAASA-N 1 3 376.850 3.856 20 0 GHADHO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1)C1=CCN(C)CC1 ZINC000528997187 875419211 /nfs/dbraw/zinc/41/92/11/875419211.db2.gz WNDBRIWGYWDQDK-WDJPJFJCSA-N 1 3 395.591 3.691 20 0 GHADHO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)C1=CCN(C)CC1 ZINC000528997187 875419214 /nfs/dbraw/zinc/41/92/14/875419214.db2.gz WNDBRIWGYWDQDK-WDJPJFJCSA-N 1 3 395.591 3.691 20 0 GHADHO C[NH+](C)CC1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529521550 876280486 /nfs/dbraw/zinc/28/04/86/876280486.db2.gz ANFFZAINQDACBR-UHFFFAOYSA-N 1 3 383.359 3.674 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000192787071 883017034 /nfs/dbraw/zinc/01/70/34/883017034.db2.gz YASOLSLLRWESPI-HSZRJFAPSA-N 1 3 399.554 3.952 20 0 GHADHO Cn1c2ccc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CC34CCC4)cc2oc1=O ZINC000850402574 876883183 /nfs/dbraw/zinc/88/31/83/876883183.db2.gz OBBJRCXJUYINDP-HXUWFJFHSA-N 1 3 391.515 3.523 20 0 GHADHO CC(C)(C)OC(=O)Nc1ncc(CNCC2CC[NH+](CC3CC3)CC2)s1 ZINC000850420404 876901343 /nfs/dbraw/zinc/90/13/43/876901343.db2.gz NYSFVPLUGHFJKC-UHFFFAOYSA-N 1 3 380.558 3.702 20 0 GHADHO CCS[C@@H]1CC[C@@H](N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000174341700 876974275 /nfs/dbraw/zinc/97/42/75/876974275.db2.gz UGXAYHFYWVEJAR-NHCUHLMSSA-N 1 3 389.609 3.505 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Br)nc1 ZINC000850514578 876984650 /nfs/dbraw/zinc/98/46/50/876984650.db2.gz NRAOFLAIQSBMPB-OAHLLOKOSA-N 1 3 389.341 3.802 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4c3OC(C)(C)CC4)CC2)CC1 ZINC000530042327 877023112 /nfs/dbraw/zinc/02/31/12/877023112.db2.gz OCHNVHDTUCCPCV-UHFFFAOYSA-N 1 3 399.579 3.925 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000850580793 877054171 /nfs/dbraw/zinc/05/41/71/877054171.db2.gz REDPMTXEZQBCKF-BTYIYWSLSA-N 1 3 392.465 3.823 20 0 GHADHO Clc1ccc(-c2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000530242481 877353660 /nfs/dbraw/zinc/35/36/60/877353660.db2.gz SXEPWJTWJZBJCT-GOSISDBHSA-N 1 3 375.900 3.586 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000176241052 878162500 /nfs/dbraw/zinc/16/25/00/878162500.db2.gz DABOKISLRYERPH-OAQYLSRUSA-N 1 3 388.600 3.659 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245779747 878588578 /nfs/dbraw/zinc/58/85/78/878588578.db2.gz YRASGOSXZZIXIR-JLLPCOHGSA-N 1 3 395.591 3.953 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245779747 878588588 /nfs/dbraw/zinc/58/85/88/878588588.db2.gz YRASGOSXZZIXIR-JLLPCOHGSA-N 1 3 395.591 3.953 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000537969832 878641412 /nfs/dbraw/zinc/64/14/12/878641412.db2.gz ULAUWHYGHRMUSA-ZEQRLZLVSA-N 1 3 391.559 3.938 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)c2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100421 878814101 /nfs/dbraw/zinc/81/41/01/878814101.db2.gz DYVKIGADNRHAQB-AHRSYUTCSA-N 1 3 393.453 3.807 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)c2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100421 878814112 /nfs/dbraw/zinc/81/41/12/878814112.db2.gz DYVKIGADNRHAQB-AHRSYUTCSA-N 1 3 393.453 3.807 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)c2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100424 878814399 /nfs/dbraw/zinc/81/43/99/878814399.db2.gz DYVKIGADNRHAQB-UXPWSPDFSA-N 1 3 393.453 3.807 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)c2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100424 878814415 /nfs/dbraw/zinc/81/44/15/878814415.db2.gz DYVKIGADNRHAQB-UXPWSPDFSA-N 1 3 393.453 3.807 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000853239564 878922173 /nfs/dbraw/zinc/92/21/73/878922173.db2.gz HWQHOFCPYPCYNC-MJGOQNOKSA-N 1 3 379.589 3.734 20 0 GHADHO O=C1O[C@@]2(CN1CN1C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]31)C[NH+]1CCC2CC1 ZINC000790385974 879657025 /nfs/dbraw/zinc/65/70/25/879657025.db2.gz OPGAQMZYXCBPTD-PIATZUFCSA-N 1 3 395.547 3.519 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246580452 879698844 /nfs/dbraw/zinc/69/88/44/879698844.db2.gz ZHWJHFTVVTXKGZ-MIZPHKNDSA-N 1 3 399.554 3.513 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246580452 879698853 /nfs/dbraw/zinc/69/88/53/879698853.db2.gz ZHWJHFTVVTXKGZ-MIZPHKNDSA-N 1 3 399.554 3.513 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000246839689 879822140 /nfs/dbraw/zinc/82/21/40/879822140.db2.gz CBZWUMDDFHODQD-GIYDNNGJSA-N 1 3 397.966 3.561 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000246959626 879864253 /nfs/dbraw/zinc/86/42/53/879864253.db2.gz HTRLPGXLKLOEKW-KBRIMQKVSA-N 1 3 382.346 3.629 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246959626 879864270 /nfs/dbraw/zinc/86/42/70/879864270.db2.gz HTRLPGXLKLOEKW-KBRIMQKVSA-N 1 3 382.346 3.629 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349649 879977861 /nfs/dbraw/zinc/97/78/61/879977861.db2.gz OXNRBAOTQFWGBM-BPUWIUIQSA-N 1 3 396.575 3.876 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349649 879977874 /nfs/dbraw/zinc/97/78/74/879977874.db2.gz OXNRBAOTQFWGBM-BPUWIUIQSA-N 1 3 396.575 3.876 20 0 GHADHO CC[C@H](C)CN(C)c1ccc(F)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000531610580 880186351 /nfs/dbraw/zinc/18/63/51/880186351.db2.gz MAOCLVPAPFCGGN-SFHVURJKSA-N 1 3 379.564 3.633 20 0 GHADHO CC[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000453085149 880443125 /nfs/dbraw/zinc/44/31/25/880443125.db2.gz FPPDSWOAABIBOC-QHCPKHFHSA-N 1 3 383.536 3.812 20 0 GHADHO CC[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000453085149 880443127 /nfs/dbraw/zinc/44/31/27/880443127.db2.gz FPPDSWOAABIBOC-QHCPKHFHSA-N 1 3 383.536 3.812 20 0 GHADHO OCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453147926 880513267 /nfs/dbraw/zinc/51/32/67/880513267.db2.gz ZIAPFQKEHVAGRS-WXFUMESZSA-N 1 3 380.532 3.591 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119427 912576201 /nfs/dbraw/zinc/57/62/01/912576201.db2.gz NZZMMDOURXYXLF-FUHIMQAGSA-N 1 3 379.504 3.579 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119427 912576211 /nfs/dbraw/zinc/57/62/11/912576211.db2.gz NZZMMDOURXYXLF-FUHIMQAGSA-N 1 3 379.504 3.579 20 0 GHADHO CN(C)C(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000499150324 881305619 /nfs/dbraw/zinc/30/56/19/881305619.db2.gz WGHXJNFFBKRAIR-KIHHCIJBSA-N 1 3 391.559 3.991 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C(C)(C)C)c3O)CC2)CC1 ZINC000565372615 883165758 /nfs/dbraw/zinc/16/57/58/883165758.db2.gz LXOUHYCLRHCIHN-UHFFFAOYSA-N 1 3 387.568 3.825 20 0 GHADHO CCCOc1cccc2c(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)N5C)CC3)ccnc12 ZINC000194733721 883914130 /nfs/dbraw/zinc/91/41/30/883914130.db2.gz HHZITBSKBHKTED-YOFSQIOKSA-N 1 3 394.563 3.771 20 0 GHADHO Cc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c(F)c1F ZINC001211911931 883983321 /nfs/dbraw/zinc/98/33/21/883983321.db2.gz VKXPBXNUCGNTLC-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c(F)c1F ZINC001211911931 883983328 /nfs/dbraw/zinc/98/33/28/883983328.db2.gz VKXPBXNUCGNTLC-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO CCSCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000455857412 884035287 /nfs/dbraw/zinc/03/52/87/884035287.db2.gz JXDJLUDITCMSDZ-UHFFFAOYSA-N 1 3 390.597 3.620 20 0 GHADHO C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CCN1Cc1ccccc1 ZINC000465448017 884054345 /nfs/dbraw/zinc/05/43/45/884054345.db2.gz KOWFEOXZJJZGRL-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000495072092 884483693 /nfs/dbraw/zinc/48/36/93/884483693.db2.gz ZXAJDTOHXRUZMT-ISKFKSNPSA-N 1 3 399.623 3.769 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC001130757377 885042614 /nfs/dbraw/zinc/04/26/14/885042614.db2.gz CPSARZIFHXEOLP-NWGLXNPWSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC001130757377 885042627 /nfs/dbraw/zinc/04/26/27/885042627.db2.gz CPSARZIFHXEOLP-NWGLXNPWSA-N 1 3 396.453 3.877 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(CN2CCCC2)c1 ZINC000498611247 885053888 /nfs/dbraw/zinc/05/38/88/885053888.db2.gz AXMNFRUWNQQWRC-QHCPKHFHSA-N 1 3 377.532 3.849 20 0 GHADHO CN(CCCN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)Cc1ccco1 ZINC000455873378 885063603 /nfs/dbraw/zinc/06/36/03/885063603.db2.gz ZNWPCYPNRQRYQS-NRFANRHFSA-N 1 3 384.524 3.814 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)cnc3C3CC3)c3ccccc23)CC1 ZINC001170525145 885462065 /nfs/dbraw/zinc/46/20/65/885462065.db2.gz HKVZLUAFOLNYAG-UHFFFAOYSA-N 1 3 395.938 3.917 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)ncc3C3CC3)c3ccccc23)CC1 ZINC001170525177 885462093 /nfs/dbraw/zinc/46/20/93/885462093.db2.gz IWFGBRHVDFBKKB-UHFFFAOYSA-N 1 3 395.938 3.917 20 0 GHADHO COc1cc(SC)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cn1 ZINC001170528274 885549077 /nfs/dbraw/zinc/54/90/77/885549077.db2.gz JIVUJUGGWQWPDW-UHFFFAOYSA-N 1 3 396.560 3.722 20 0 GHADHO CCOC(=O)N1CCC([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000249776590 913038722 /nfs/dbraw/zinc/03/87/22/913038722.db2.gz CFUBUQSGDZJIGF-LVCYWYKZSA-N 1 3 379.589 3.876 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000132074782 886668612 /nfs/dbraw/zinc/66/86/12/886668612.db2.gz BKAGDUBQNWYDBW-HXUWFJFHSA-N 1 3 397.611 3.533 20 0 GHADHO CC(C)[NH+]1CCN(C2CCN(Cc3cc4ccccc4c(Cl)n3)CC2)CC1 ZINC000794563787 887390137 /nfs/dbraw/zinc/39/01/37/887390137.db2.gz XDQHJGIKFCOGPZ-UHFFFAOYSA-N 1 3 386.971 3.879 20 0 GHADHO OC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCN(Cc2ccccc2)CC1 ZINC000397578593 888095534 /nfs/dbraw/zinc/09/55/34/888095534.db2.gz DDOIWYIOYFZCMJ-UHFFFAOYSA-N 1 3 378.438 3.822 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810413197 888478892 /nfs/dbraw/zinc/47/88/92/888478892.db2.gz QXFSNTWZMJPBTP-VGSWGCGISA-N 1 3 375.532 3.541 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1)C(C)C ZINC000497399000 891495559 /nfs/dbraw/zinc/49/55/59/891495559.db2.gz KZAYHBCXXAMZHA-DHIUTWEWSA-N 1 3 379.548 3.745 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1)C(C)C ZINC000497399000 891495565 /nfs/dbraw/zinc/49/55/65/891495565.db2.gz KZAYHBCXXAMZHA-DHIUTWEWSA-N 1 3 379.548 3.745 20 0 GHADHO Cc1cc2cc([C@H](C)[NH2+]Cc3cccc(-n4cc(CN)nn4)c3)oc2cc1C ZINC000873247491 891548747 /nfs/dbraw/zinc/54/87/47/891548747.db2.gz OBIMFNIFSYBLPM-INIZCTEOSA-N 1 3 375.476 3.940 20 0 GHADHO CCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000161646914 891770780 /nfs/dbraw/zinc/77/07/80/891770780.db2.gz VGLCRXCDOUMFBP-AWEZNQCLSA-N 1 3 387.446 3.766 20 0 GHADHO CC(C)n1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001137076303 891958057 /nfs/dbraw/zinc/95/80/57/891958057.db2.gz AAMSNSNBPAUUKR-JOCHJYFZSA-N 1 3 382.552 3.720 20 0 GHADHO CC(C)n1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001137076303 891958064 /nfs/dbraw/zinc/95/80/64/891958064.db2.gz AAMSNSNBPAUUKR-JOCHJYFZSA-N 1 3 382.552 3.720 20 0 GHADHO C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508700456 892669708 /nfs/dbraw/zinc/66/97/08/892669708.db2.gz UJGQIARTOWWKDN-VJBMBRPKSA-N 1 3 379.548 3.706 20 0 GHADHO C[C@H](Nc1cccc(CN2CCN(C)CC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508708255 892774415 /nfs/dbraw/zinc/77/44/15/892774415.db2.gz ARYLBDWTIXQMBP-URXFXBBRSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@H](Nc1cccc(CN2CCN(C)CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708255 892774427 /nfs/dbraw/zinc/77/44/27/892774427.db2.gz ARYLBDWTIXQMBP-URXFXBBRSA-N 1 3 392.591 3.757 20 0 GHADHO [NH3+]CC1(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCCC1 ZINC000262695098 892973658 /nfs/dbraw/zinc/97/36/58/892973658.db2.gz XEZOQVKIIXCKOX-UHFFFAOYSA-N 1 3 375.582 3.516 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000536857776 893947508 /nfs/dbraw/zinc/94/75/08/893947508.db2.gz LEHOJCLWBUHVFD-QFIPXVFZSA-N 1 3 397.950 3.943 20 0 GHADHO Cc1cc(Cl)ccc1CNCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000129761228 893950786 /nfs/dbraw/zinc/95/07/86/893950786.db2.gz MKXGNSHDEVFVPB-UHFFFAOYSA-N 1 3 385.939 3.764 20 0 GHADHO CC1CCN([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)c2cccs2)CC1 ZINC000563608181 893963035 /nfs/dbraw/zinc/96/30/35/893963035.db2.gz UJBHQKBXYDQNOR-FQEVSTJZSA-N 1 3 398.576 3.989 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4CCC5(CCOCC5)O4)CC[C@@H]32)cc1 ZINC000878196629 894084928 /nfs/dbraw/zinc/08/49/28/894084928.db2.gz HHPFNJDDUZGJSZ-VJBWXMMDSA-N 1 3 384.564 3.701 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4CCC5(CCOCC5)O4)CC[C@@H]32)cc1 ZINC000878196629 894084947 /nfs/dbraw/zinc/08/49/47/894084947.db2.gz HHPFNJDDUZGJSZ-VJBWXMMDSA-N 1 3 384.564 3.701 20 0 GHADHO CC[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049294 894267423 /nfs/dbraw/zinc/26/74/23/894267423.db2.gz APUCWSPPXXSERG-TZIWHRDSSA-N 1 3 387.568 3.603 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3ccc4ccc(Cl)cc4n3)CC2)CC1 ZINC000878427215 894281464 /nfs/dbraw/zinc/28/14/64/894281464.db2.gz JMGYHOASRKCDMZ-UHFFFAOYSA-N 1 3 386.971 3.738 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000537304502 894739331 /nfs/dbraw/zinc/73/93/31/894739331.db2.gz QBMWYXBDAINFCS-JYJNAYRXSA-N 1 3 399.373 3.998 20 0 GHADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000564293413 894828719 /nfs/dbraw/zinc/82/87/19/894828719.db2.gz LBBBHGDCEDQHPY-LJQANCHMSA-N 1 3 385.577 3.712 20 0 GHADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)Cc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000564293413 894828726 /nfs/dbraw/zinc/82/87/26/894828726.db2.gz LBBBHGDCEDQHPY-LJQANCHMSA-N 1 3 385.577 3.712 20 0 GHADHO Cc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319510 895530602 /nfs/dbraw/zinc/53/06/02/895530602.db2.gz VFCBQBCERBLDIA-DSITVLBTSA-N 1 3 393.575 3.793 20 0 GHADHO Cc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319510 895530611 /nfs/dbraw/zinc/53/06/11/895530611.db2.gz VFCBQBCERBLDIA-DSITVLBTSA-N 1 3 393.575 3.793 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2(OC)CCOCC2)cc1CN1CCCCC1 ZINC000817588609 895759434 /nfs/dbraw/zinc/75/94/34/895759434.db2.gz QGWXZDYOQDFUBN-MOPGFXCFSA-N 1 3 390.568 3.916 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)cc3C(C)(F)F)CC2)CC1 ZINC000880721183 895832438 /nfs/dbraw/zinc/83/24/38/895832438.db2.gz YKYZSIIVPSLMSP-UHFFFAOYSA-N 1 3 398.473 3.618 20 0 GHADHO O=C1CCCCN1c1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817894542 895952568 /nfs/dbraw/zinc/95/25/68/895952568.db2.gz MAUQWMGQXGSSCN-XUZZJYLKSA-N 1 3 391.515 3.549 20 0 GHADHO O=C1CCCCN1c1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817894543 895952845 /nfs/dbraw/zinc/95/28/45/895952845.db2.gz MAUQWMGQXGSSCN-ZJSXRUAMSA-N 1 3 391.515 3.549 20 0 GHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000817898163 895954140 /nfs/dbraw/zinc/95/41/40/895954140.db2.gz FAFJRBOSVDPHFD-JCTONOIOSA-N 1 3 394.515 3.590 20 0 GHADHO O=C(CN[C@H](c1cccc(Cl)c1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000565957220 896009464 /nfs/dbraw/zinc/00/94/64/896009464.db2.gz MOAKYXJWUVSPOL-QFIPXVFZSA-N 1 3 389.971 3.904 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(-n4cccc4)c3)CC2)CC1 ZINC000567121918 896892343 /nfs/dbraw/zinc/89/23/43/896892343.db2.gz VNFZXEYVFTTWAP-UHFFFAOYSA-N 1 3 380.536 3.612 20 0 GHADHO FC(F)(F)c1cnc(NCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000567642349 897306444 /nfs/dbraw/zinc/30/64/44/897306444.db2.gz KLWYKMDPOFRUEM-YUELXQCFSA-N 1 3 376.854 3.676 20 0 GHADHO C[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820808259 897536873 /nfs/dbraw/zinc/53/68/73/897536873.db2.gz BTSGOXGJCCKXSH-VGOFRKELSA-N 1 3 381.520 3.717 20 0 GHADHO C[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000820813692 897541735 /nfs/dbraw/zinc/54/17/35/897541735.db2.gz ADXRROIBKRFJHW-JKSUJKDBSA-N 1 3 375.538 3.532 20 0 GHADHO c1cncc([C@H]2CCN(Cc3cncc(C[N@@H+]4CC[C@H](c5cccnc5)C4)c3)C2)c1 ZINC000569807450 898964320 /nfs/dbraw/zinc/96/43/20/898964320.db2.gz GXMKYLOJTXRSLL-DQEYMECFSA-N 1 3 399.542 3.851 20 0 GHADHO c1cncc([C@H]2CCN(Cc3cncc(C[N@H+]4CC[C@H](c5cccnc5)C4)c3)C2)c1 ZINC000569807450 898964329 /nfs/dbraw/zinc/96/43/29/898964329.db2.gz GXMKYLOJTXRSLL-DQEYMECFSA-N 1 3 399.542 3.851 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000569876404 899001210 /nfs/dbraw/zinc/00/12/10/899001210.db2.gz VWUCQDFPXFYUSI-FQEVSTJZSA-N 1 3 379.548 3.527 20 0 GHADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000571047621 899721231 /nfs/dbraw/zinc/72/12/31/899721231.db2.gz FLSCAWQLQNHPLN-QGZVFWFLSA-N 1 3 385.474 3.502 20 0 GHADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000571047621 899721242 /nfs/dbraw/zinc/72/12/42/899721242.db2.gz FLSCAWQLQNHPLN-QGZVFWFLSA-N 1 3 385.474 3.502 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(OC)nc2)CC3)c1 ZINC001137036193 900137917 /nfs/dbraw/zinc/13/79/17/900137917.db2.gz WQPAEZIWIPRBBB-UHFFFAOYSA-N 1 3 381.520 3.587 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(OC)nc2)CC3)c1 ZINC001137036193 900137926 /nfs/dbraw/zinc/13/79/26/900137926.db2.gz WQPAEZIWIPRBBB-UHFFFAOYSA-N 1 3 381.520 3.587 20 0 GHADHO CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825418115 900156664 /nfs/dbraw/zinc/15/66/64/900156664.db2.gz XHHHTGQCBVZODI-HNNXBMFYSA-N 1 3 382.487 3.698 20 0 GHADHO CC[C@@H](c1ccncc1)N(CC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000572376016 900163115 /nfs/dbraw/zinc/16/31/15/900163115.db2.gz AOEGFQRSHOCNSM-QFIPXVFZSA-N 1 3 386.584 3.578 20 0 GHADHO COc1ccc([C@H](Cc2ccccc2)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000573847100 900662527 /nfs/dbraw/zinc/66/25/27/900662527.db2.gz AMIKRQULXYFBTO-QHCPKHFHSA-N 1 3 381.564 3.595 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000574904782 901047185 /nfs/dbraw/zinc/04/71/85/901047185.db2.gz IPQKQJXCHIPRPK-YHBROIRLSA-N 1 3 388.552 3.647 20 0 GHADHO FC(F)(F)CN1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886521138 901117566 /nfs/dbraw/zinc/11/75/66/901117566.db2.gz VGIPWODLMRJBNC-SXLOBPIMSA-N 1 3 381.486 3.656 20 0 GHADHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(CO)c1 ZINC000121663197 901653413 /nfs/dbraw/zinc/65/34/13/901653413.db2.gz ZNJDBMGYWUDQHV-LJQANCHMSA-N 1 3 398.547 3.519 20 0 GHADHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(CO)c1 ZINC000121663197 901653426 /nfs/dbraw/zinc/65/34/26/901653426.db2.gz ZNJDBMGYWUDQHV-LJQANCHMSA-N 1 3 398.547 3.519 20 0 GHADHO COc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1OC ZINC000123016500 901885865 /nfs/dbraw/zinc/88/58/65/901885865.db2.gz MRACUSDFXXIMSK-UHFFFAOYSA-N 1 3 383.536 3.524 20 0 GHADHO COc1ccc(Oc2ccc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2)cc1 ZINC000576703660 902204515 /nfs/dbraw/zinc/20/45/15/902204515.db2.gz LQMBJFAXUPSBHQ-LJQANCHMSA-N 1 3 382.504 3.675 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)[C@H]3CCC[C@H](C)C3)cc2)CC1 ZINC001171191192 902245828 /nfs/dbraw/zinc/24/58/28/902245828.db2.gz YDXYJIRTFWGUSW-UFYCRDLUSA-N 1 3 386.584 3.571 20 0 GHADHO Cc1cc(C(C)(C)[NH2+]CCCN2CCN(C(C)C)CC2)ccc1Br ZINC000577429589 902765047 /nfs/dbraw/zinc/76/50/47/902765047.db2.gz WZGMLWMBCDJAEK-UHFFFAOYSA-N 1 3 396.417 3.998 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000779016170 902880554 /nfs/dbraw/zinc/88/05/54/902880554.db2.gz ZNEVRGCEJQIZLY-QIJUGHKUSA-N 1 3 399.579 3.854 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000779016170 902880566 /nfs/dbraw/zinc/88/05/66/902880566.db2.gz ZNEVRGCEJQIZLY-QIJUGHKUSA-N 1 3 399.579 3.854 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@@H]3CCC(C)C)CC2)CC1 ZINC000577767135 903168079 /nfs/dbraw/zinc/16/80/79/903168079.db2.gz SYJKZNPFBUNFSI-KNQAVFIVSA-N 1 3 377.617 3.904 20 0 GHADHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)n1[C@H](C)c1ccccc1 ZINC001146978597 903652597 /nfs/dbraw/zinc/65/25/97/903652597.db2.gz VEKAMWPYMHCMSF-AZUAARDMSA-N 1 3 398.595 3.716 20 0 GHADHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)n1[C@H](C)c1ccccc1 ZINC001146978597 903652601 /nfs/dbraw/zinc/65/26/01/903652601.db2.gz VEKAMWPYMHCMSF-AZUAARDMSA-N 1 3 398.595 3.716 20 0 GHADHO COc1ccc(Cl)c2c1C[C@H]([NH2+]C1CCN(CC3CCOCC3)CC1)CC2 ZINC001171301300 903742187 /nfs/dbraw/zinc/74/21/87/903742187.db2.gz PKSGEUQBPYFMFD-GOSISDBHSA-N 1 3 392.971 3.687 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccccc2Cl)CC1 ZINC000579465372 904629836 /nfs/dbraw/zinc/62/98/36/904629836.db2.gz VWBDFPADQAIVKU-PXNSSMCTSA-N 1 3 388.939 3.895 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)N(C)C)cc1 ZINC000646775420 914836945 /nfs/dbraw/zinc/83/69/45/914836945.db2.gz BKNZXQZNBVDLNY-PKTZIBPZSA-N 1 3 379.548 3.594 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564615 904829165 /nfs/dbraw/zinc/82/91/65/904829165.db2.gz CTQGQVGRCXZMMC-IRLDBZIGSA-N 1 3 384.564 3.592 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564615 904829180 /nfs/dbraw/zinc/82/91/80/904829180.db2.gz CTQGQVGRCXZMMC-IRLDBZIGSA-N 1 3 384.564 3.592 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1(C)C ZINC001171614032 904876506 /nfs/dbraw/zinc/87/65/06/904876506.db2.gz UDNRQPHRZXUVRQ-BPQIPLTHSA-N 1 3 379.589 3.873 20 0 GHADHO CN1C(C)(C)CC([N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)CC1(C)C ZINC001171639534 904927574 /nfs/dbraw/zinc/92/75/74/904927574.db2.gz NXAOLZWARNIQNB-ALXJQNPVSA-N 1 3 379.589 3.873 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)CC1(C)C ZINC001171639534 904927582 /nfs/dbraw/zinc/92/75/82/904927582.db2.gz NXAOLZWARNIQNB-ALXJQNPVSA-N 1 3 379.589 3.873 20 0 GHADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762689 904999910 /nfs/dbraw/zinc/99/99/10/904999910.db2.gz LHXHGGXOHQUSHQ-ZBCONREDSA-N 1 3 375.560 3.713 20 0 GHADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762689 904999918 /nfs/dbraw/zinc/99/99/18/904999918.db2.gz LHXHGGXOHQUSHQ-ZBCONREDSA-N 1 3 375.560 3.713 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876434 905078405 /nfs/dbraw/zinc/07/84/05/905078405.db2.gz BLTJTRVJTFVMQO-NFBKMPQASA-N 1 3 379.548 3.778 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876434 905078425 /nfs/dbraw/zinc/07/84/25/905078425.db2.gz BLTJTRVJTFVMQO-NFBKMPQASA-N 1 3 379.548 3.778 20 0 GHADHO CC1(C)C[C@H](NC[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171966586 905174701 /nfs/dbraw/zinc/17/47/01/905174701.db2.gz LSRSTMUSIMGKFJ-DHIUTWEWSA-N 1 3 382.548 3.597 20 0 GHADHO CC1(C)C[C@H](NC[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171966586 905174706 /nfs/dbraw/zinc/17/47/06/905174706.db2.gz LSRSTMUSIMGKFJ-DHIUTWEWSA-N 1 3 382.548 3.597 20 0 GHADHO O[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061126 905264392 /nfs/dbraw/zinc/26/43/92/905264392.db2.gz FRJFVCPDKXQIRQ-BXXSPATCSA-N 1 3 380.532 3.602 20 0 GHADHO O[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061126 905264413 /nfs/dbraw/zinc/26/44/13/905264413.db2.gz FRJFVCPDKXQIRQ-BXXSPATCSA-N 1 3 380.532 3.602 20 0 GHADHO O=C(NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1)C1CC1 ZINC001172074203 905279871 /nfs/dbraw/zinc/27/98/71/905279871.db2.gz GFMVOXQUEIFMEK-JKHIJQBDSA-N 1 3 381.564 3.563 20 0 GHADHO O=C(NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CC1 ZINC001172074203 905279914 /nfs/dbraw/zinc/27/99/14/905279914.db2.gz GFMVOXQUEIFMEK-JKHIJQBDSA-N 1 3 381.564 3.563 20 0 GHADHO CCNC(=O)OC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172082723 905295755 /nfs/dbraw/zinc/29/57/55/905295755.db2.gz LDMPEMWHSJMWAN-WKCHPHFGSA-N 1 3 385.552 3.783 20 0 GHADHO CCNC(=O)OC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172082723 905295772 /nfs/dbraw/zinc/29/57/72/905295772.db2.gz LDMPEMWHSJMWAN-WKCHPHFGSA-N 1 3 385.552 3.783 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(N3C(=O)OC[C@H]3c3ccccc3)CC1)C2 ZINC001172115358 905366308 /nfs/dbraw/zinc/36/63/08/905366308.db2.gz WOCIJBWINSMARD-LRSLUSHPSA-N 1 3 383.536 3.660 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(N3C(=O)OC[C@H]3c3ccccc3)CC1)C2 ZINC001172115358 905366325 /nfs/dbraw/zinc/36/63/25/905366325.db2.gz WOCIJBWINSMARD-LRSLUSHPSA-N 1 3 383.536 3.660 20 0 GHADHO N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@H]1F ZINC001206200135 906468453 /nfs/dbraw/zinc/46/84/53/906468453.db2.gz QLWCKVLWPWBQTA-IAGOWNOFSA-N 1 3 383.389 3.908 20 0 GHADHO N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@H]1F ZINC001206200135 906468458 /nfs/dbraw/zinc/46/84/58/906468458.db2.gz QLWCKVLWPWBQTA-IAGOWNOFSA-N 1 3 383.389 3.908 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@@H+]2CCC[C@H](N)C2)CC1 ZINC001173558570 906532461 /nfs/dbraw/zinc/53/24/61/906532461.db2.gz URIKZPBOWKTLSE-VIQWUECVSA-N 1 3 397.357 3.631 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CCC[C@H](N)C2)CC1 ZINC001173558570 906532465 /nfs/dbraw/zinc/53/24/65/906532465.db2.gz URIKZPBOWKTLSE-VIQWUECVSA-N 1 3 397.357 3.631 20 0 GHADHO Brc1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000180124012 906693577 /nfs/dbraw/zinc/69/35/77/906693577.db2.gz WFCNRAMFHGNZES-LIRRHRJNSA-N 1 3 379.342 3.527 20 0 GHADHO C[NH+]1CCC(Oc2ccc(NC3=CCCN(Cc4ccccc4)C3)nc2)CC1 ZINC001174397137 907002102 /nfs/dbraw/zinc/00/21/02/907002102.db2.gz PLYQTIVJEFFBBR-UHFFFAOYSA-N 1 3 378.520 3.756 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844819 907250830 /nfs/dbraw/zinc/25/08/30/907250830.db2.gz HDLUCMUFYMUYKQ-NQIIRXRSSA-N 1 3 389.584 3.969 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844819 907250841 /nfs/dbraw/zinc/25/08/41/907250841.db2.gz HDLUCMUFYMUYKQ-NQIIRXRSSA-N 1 3 389.584 3.969 20 0 GHADHO CC[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648144 907786553 /nfs/dbraw/zinc/78/65/53/907786553.db2.gz VZQWLNIWBQICJT-FPOVZHCZSA-N 1 3 384.520 3.511 20 0 GHADHO CC[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648144 907786559 /nfs/dbraw/zinc/78/65/59/907786559.db2.gz VZQWLNIWBQICJT-FPOVZHCZSA-N 1 3 384.520 3.511 20 0 GHADHO C[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000631769979 907838982 /nfs/dbraw/zinc/83/89/82/907838982.db2.gz XZZHZXFOLDCURH-HMFYCAOWSA-N 1 3 392.609 3.826 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC3CC3)c3cccc(F)c3)CC2)CC1 ZINC000633750813 908468908 /nfs/dbraw/zinc/46/89/08/908468908.db2.gz IDCCWVQSUBRORH-UHFFFAOYSA-N 1 3 387.543 3.765 20 0 GHADHO C[C@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC001177416769 908570425 /nfs/dbraw/zinc/57/04/25/908570425.db2.gz WKJYHYJSLSZZDC-CABCVRRESA-N 1 3 381.483 3.544 20 0 GHADHO C[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CN1CCCCC1 ZINC001177416769 908570432 /nfs/dbraw/zinc/57/04/32/908570432.db2.gz WKJYHYJSLSZZDC-CABCVRRESA-N 1 3 381.483 3.544 20 0 GHADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135391 908970989 /nfs/dbraw/zinc/97/09/89/908970989.db2.gz BHHAMJFUFNEHQU-CTNGQTDRSA-N 1 3 377.532 3.986 20 0 GHADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135391 908970997 /nfs/dbraw/zinc/97/09/97/908970997.db2.gz BHHAMJFUFNEHQU-CTNGQTDRSA-N 1 3 377.532 3.986 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(Cl)c3cccnc23)C1 ZINC001178462393 909064658 /nfs/dbraw/zinc/06/46/58/909064658.db2.gz DOCDIJNRLRJCMV-IBGZPJMESA-N 1 3 381.907 3.745 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(Cl)c3cccnc23)C1 ZINC001178462393 909064672 /nfs/dbraw/zinc/06/46/72/909064672.db2.gz DOCDIJNRLRJCMV-IBGZPJMESA-N 1 3 381.907 3.745 20 0 GHADHO c1ccc(COc2ccccc2CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000635002984 909098913 /nfs/dbraw/zinc/09/89/13/909098913.db2.gz CYXOYMQVZPGMCA-DNVJHFABSA-N 1 3 380.532 3.555 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](c3nc(CC)no3)C2)CC1 ZINC001179722533 909682509 /nfs/dbraw/zinc/68/25/09/909682509.db2.gz MJGVEZAAHNTJIA-QUCCMNQESA-N 1 3 397.567 3.590 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1cccc(OCC[NH+](C)C)c1 ZINC000268864092 910049249 /nfs/dbraw/zinc/04/92/49/910049249.db2.gz KDDPVYMQXLTOEV-SJORKVTESA-N 1 3 381.520 3.558 20 0 GHADHO CN(C)Cc1cc(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)ccc1F ZINC000638633869 910205835 /nfs/dbraw/zinc/20/58/35/910205835.db2.gz FRAUJBDUNBMPOG-UHFFFAOYSA-N 1 3 384.421 3.729 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638637220 910206798 /nfs/dbraw/zinc/20/67/98/910206798.db2.gz OYWKXNJBSPUFAP-NZQKXSOJSA-N 1 3 385.596 3.834 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638637222 910207239 /nfs/dbraw/zinc/20/72/39/910207239.db2.gz OYWKXNJBSPUFAP-REWPJTCUSA-N 1 3 385.596 3.834 20 0 GHADHO c1ccc([C@@H]2C[C@H]([NH2+]CC3(N4CCCCC4)CCOCC3)CCN2C2CC2)cc1 ZINC000638865262 910258468 /nfs/dbraw/zinc/25/84/68/910258468.db2.gz YQSKGRJUSKMWBK-VWNXMTODSA-N 1 3 397.607 3.979 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000271464972 910914826 /nfs/dbraw/zinc/91/48/26/910914826.db2.gz GNJRTDTXXZNXNR-JBBXEZCESA-N 1 3 385.321 3.617 20 0 GHADHO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc3c2CN(C)C[C@@H]3c2ccccc2)C1 ZINC001181983726 911109472 /nfs/dbraw/zinc/10/94/72/911109472.db2.gz LXOBYWWSFMUCRH-PZJWPPBQSA-N 1 3 377.532 3.933 20 0 GHADHO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc3c2CN(C)C[C@@H]3c2ccccc2)C1 ZINC001181983726 911109480 /nfs/dbraw/zinc/10/94/80/911109480.db2.gz LXOBYWWSFMUCRH-PZJWPPBQSA-N 1 3 377.532 3.933 20 0 GHADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926674 921635127 /nfs/dbraw/zinc/63/51/27/921635127.db2.gz YOYHGTALFVNAMS-UYAOXDASSA-N 1 3 379.589 3.687 20 0 GHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926674 921635134 /nfs/dbraw/zinc/63/51/34/921635134.db2.gz YOYHGTALFVNAMS-UYAOXDASSA-N 1 3 379.589 3.687 20 0 GHADHO O[C@H](CNC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000641915217 911594540 /nfs/dbraw/zinc/59/45/40/911594540.db2.gz WCMOVLPFEZDBOL-YLJYHZDGSA-N 1 3 397.950 4.000 20 0 GHADHO Cc1ccc([C@H](CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)N(C)C)cc1 ZINC001182482567 911834244 /nfs/dbraw/zinc/83/42/44/911834244.db2.gz RCOGRVYXUYTQIB-GOTSBHOMSA-N 1 3 379.548 3.837 20 0 GHADHO Cc1ccc([C@H](CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)N(C)C)cc1 ZINC001182482567 911834250 /nfs/dbraw/zinc/83/42/50/911834250.db2.gz RCOGRVYXUYTQIB-GOTSBHOMSA-N 1 3 379.548 3.837 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344431 915167463 /nfs/dbraw/zinc/16/74/63/915167463.db2.gz QMAMBKYUIDDKEO-BLIXFSHQSA-N 1 3 385.939 3.992 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344431 915167473 /nfs/dbraw/zinc/16/74/73/915167473.db2.gz QMAMBKYUIDDKEO-BLIXFSHQSA-N 1 3 385.939 3.992 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(C[C@@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384491 915361888 /nfs/dbraw/zinc/36/18/88/915361888.db2.gz OMMDPDMZBHIOKW-ZEQRLZLVSA-N 1 3 375.560 3.609 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(C[C@@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384491 915361904 /nfs/dbraw/zinc/36/19/04/915361904.db2.gz OMMDPDMZBHIOKW-ZEQRLZLVSA-N 1 3 375.560 3.609 20 0 GHADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3cccc(Cl)c3Cl)CC2)C1=O ZINC001275652350 915658445 /nfs/dbraw/zinc/65/84/45/915658445.db2.gz BNSUUMUAOCJTTI-FQEVSTJZSA-N 1 3 398.378 3.760 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000292744400 915823015 /nfs/dbraw/zinc/82/30/15/915823015.db2.gz QUZSAFRHKXQULK-SFHVURJKSA-N 1 3 397.519 3.825 20 0 GHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000293563414 916269516 /nfs/dbraw/zinc/26/95/16/916269516.db2.gz CZENVAZWUDBXEB-CEXWTWQISA-N 1 3 389.540 3.573 20 0 GHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000293962391 916498446 /nfs/dbraw/zinc/49/84/46/916498446.db2.gz ZZAZFMDJWJVWRP-GOSISDBHSA-N 1 3 397.519 3.825 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)ccc1OC ZINC000775364222 917187857 /nfs/dbraw/zinc/18/78/57/917187857.db2.gz PLJWXCPNDQJZEX-KRWDZBQOSA-N 1 3 387.568 3.589 20 0 GHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362702425 917375491 /nfs/dbraw/zinc/37/54/91/917375491.db2.gz MTLRCKSTYIYRJG-MDZRGWNJSA-N 1 3 385.474 3.604 20 0 GHADHO CCCCNC(=O)[C@@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001190682346 917511216 /nfs/dbraw/zinc/51/12/16/917511216.db2.gz GNJJJIUKCGXWOC-XMMPIXPASA-N 1 3 399.623 3.960 20 0 GHADHO CCCCNC(=O)[C@@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001190682346 917511227 /nfs/dbraw/zinc/51/12/27/917511227.db2.gz GNJJJIUKCGXWOC-XMMPIXPASA-N 1 3 399.623 3.960 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)ccc1OC ZINC000775415700 917595235 /nfs/dbraw/zinc/59/52/35/917595235.db2.gz UKRBKNJRQZKBHV-RXVVDRJESA-N 1 3 390.568 3.916 20 0 GHADHO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502390 922243192 /nfs/dbraw/zinc/24/31/92/922243192.db2.gz DZIPXPXIOAVCRU-XVWGUNQUSA-N 1 3 393.531 3.812 20 0 GHADHO CC(C)n1ncc2cc(CN3CC[C@H](C4CC[NH+](C)CC4)C3)c(Cl)nc21 ZINC000367692255 922267975 /nfs/dbraw/zinc/26/79/75/922267975.db2.gz YTMBDABEDLEGTE-INIZCTEOSA-N 1 3 375.948 3.829 20 0 GHADHO C[S@](=O)Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000367713272 922277598 /nfs/dbraw/zinc/27/75/98/922277598.db2.gz RIJBVRBHDAXNJX-TZKYFUQOSA-N 1 3 382.573 3.850 20 0 GHADHO C[S@](=O)Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000367713269 922277913 /nfs/dbraw/zinc/27/79/13/922277913.db2.gz RIJBVRBHDAXNJX-GIRPNKPCSA-N 1 3 382.573 3.850 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1cccc(-n2ccnc2)c1 ZINC000902832811 922540826 /nfs/dbraw/zinc/54/08/26/922540826.db2.gz QKNXVPASSNTPNQ-IBGZPJMESA-N 1 3 390.531 3.680 20 0 GHADHO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(-n2ccnc2)c1 ZINC000902832811 922540840 /nfs/dbraw/zinc/54/08/40/922540840.db2.gz QKNXVPASSNTPNQ-IBGZPJMESA-N 1 3 390.531 3.680 20 0 GHADHO O[C@H]1C[C@](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)(c2ccccc2)C1 ZINC000903271265 922897503 /nfs/dbraw/zinc/89/75/03/922897503.db2.gz LGBWCQHWYSKTRY-JQZXIOIQSA-N 1 3 376.544 3.722 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](CCCOc3cccc(Cl)c3)CC2)CC1 ZINC000677737275 924473543 /nfs/dbraw/zinc/47/35/43/924473543.db2.gz AASWMTKRCNGVFI-UHFFFAOYSA-N 1 3 379.976 3.599 20 0 GHADHO CC[C@H](Cc1cccs1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000678589071 924831765 /nfs/dbraw/zinc/83/17/65/924831765.db2.gz IPEKVJKGLIBKDO-HXUWFJFHSA-N 1 3 385.577 3.685 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927466 924975914 /nfs/dbraw/zinc/97/59/14/924975914.db2.gz JRQFYWSKUVLRBI-OFNKIYASSA-N 1 3 395.522 3.690 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927466 924975922 /nfs/dbraw/zinc/97/59/22/924975922.db2.gz JRQFYWSKUVLRBI-OFNKIYASSA-N 1 3 395.522 3.690 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000680001906 925327942 /nfs/dbraw/zinc/32/79/42/925327942.db2.gz RDOPTVRMMUPAJR-QFIPXVFZSA-N 1 3 378.564 3.678 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000680001906 925327956 /nfs/dbraw/zinc/32/79/56/925327956.db2.gz RDOPTVRMMUPAJR-QFIPXVFZSA-N 1 3 378.564 3.678 20 0 GHADHO C[NH+](C)CCNC(=O)C1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411354273 926325947 /nfs/dbraw/zinc/32/59/47/926325947.db2.gz MVSMYOJMAZWKGI-QFIPXVFZSA-N 1 3 399.966 3.819 20 0 GHADHO CN(C)c1noc([C@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411691610 926650345 /nfs/dbraw/zinc/65/03/45/926650345.db2.gz NPWOFJYUTBIHOC-FQEVSTJZSA-N 1 3 383.540 3.501 20 0 GHADHO CN(CCC(=O)NC(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411717355 926684888 /nfs/dbraw/zinc/68/48/88/926684888.db2.gz INUAXAJXAKCVDV-AIZNXBIQSA-N 1 3 391.559 3.839 20 0 GHADHO CN(CCC(=O)NC(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411717355 926684894 /nfs/dbraw/zinc/68/48/94/926684894.db2.gz INUAXAJXAKCVDV-AIZNXBIQSA-N 1 3 391.559 3.839 20 0 GHADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412226531 927228678 /nfs/dbraw/zinc/22/86/78/927228678.db2.gz YBXONSVCCHRHMA-XZOQPEGZSA-N 1 3 377.532 3.500 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000467685259 929300694 /nfs/dbraw/zinc/30/06/94/929300694.db2.gz GIKKUUMJDBMJJS-HYBUGGRVSA-N 1 3 391.559 3.678 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCCC34CCCCC4)cc2)CC1 ZINC000759394902 930357406 /nfs/dbraw/zinc/35/74/06/930357406.db2.gz IOBAWGMNBOBEQW-UHFFFAOYSA-N 1 3 384.568 3.566 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCCC34CCCCC4)cc2)CC1 ZINC000759394902 930357415 /nfs/dbraw/zinc/35/74/15/930357415.db2.gz IOBAWGMNBOBEQW-UHFFFAOYSA-N 1 3 384.568 3.566 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000557259021 931304960 /nfs/dbraw/zinc/30/49/60/931304960.db2.gz HTLVQNCAWCKYJO-NQIIRXRSSA-N 1 3 381.520 3.667 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000557259021 931304969 /nfs/dbraw/zinc/30/49/69/931304969.db2.gz HTLVQNCAWCKYJO-NQIIRXRSSA-N 1 3 381.520 3.667 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000925824818 931915229 /nfs/dbraw/zinc/91/52/29/931915229.db2.gz CVICTNIZQVWTMZ-CWFSZBLJSA-N 1 3 392.469 3.562 20 0 GHADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000925857225 931924146 /nfs/dbraw/zinc/92/41/46/931924146.db2.gz UNNWLMUMZIIANB-QFBILLFUSA-N 1 3 398.478 3.954 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@H]2CCC[C@@H]21 ZINC000796746582 932052118 /nfs/dbraw/zinc/05/21/18/932052118.db2.gz UBLMSTHUCXCGMG-HKBOAZHASA-N 1 3 387.568 3.716 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@H]2CCC[C@@H]21 ZINC000796746582 932052122 /nfs/dbraw/zinc/05/21/22/932052122.db2.gz UBLMSTHUCXCGMG-HKBOAZHASA-N 1 3 387.568 3.716 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000926118894 932055400 /nfs/dbraw/zinc/05/54/00/932055400.db2.gz DDJIUDJUAZBMPR-CADBVGFASA-N 1 3 379.589 3.922 20 0 GHADHO CC[NH+](CC)CC1CCN([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559049566 932396285 /nfs/dbraw/zinc/39/62/85/932396285.db2.gz RDWNUDAUCGQESP-UTKZUKDTSA-N 1 3 375.532 3.541 20 0 GHADHO COc1ccc(OCc2ccccn2)c(CN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000798956632 932838834 /nfs/dbraw/zinc/83/88/34/932838834.db2.gz HDEIXYLRNSSUGS-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC(F)F)c(F)c3)CC2)CC1 ZINC000561157772 933924219 /nfs/dbraw/zinc/92/42/19/933924219.db2.gz ZKYYIKFBCUYYIF-UHFFFAOYSA-N 1 3 399.457 3.562 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)c3cccc(C)c3)CC2)CC1 ZINC000561192097 933944950 /nfs/dbraw/zinc/94/49/50/933944950.db2.gz MKHVLNPKXASVAH-UHFFFAOYSA-N 1 3 385.596 3.585 20 0 GHADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC001120469500 934466492 /nfs/dbraw/zinc/46/64/92/934466492.db2.gz YZHRUSBRADUHPQ-QIJUGHKUSA-N 1 3 380.532 3.729 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccc(SC(F)(F)F)cc3)CC2)CC1 ZINC001137956316 935890812 /nfs/dbraw/zinc/89/08/12/935890812.db2.gz IPLRZEPNHDJHGN-UHFFFAOYSA-N 1 3 387.515 3.758 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3C)CC2)CC1 ZINC000830346868 935933442 /nfs/dbraw/zinc/93/34/42/935933442.db2.gz UXXQKLKMGFVRMP-QGZVFWFLSA-N 1 3 375.532 3.508 20 0 GHADHO C[C@H](CNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1)CC(C)(C)CC[NH3+] ZINC001220763556 1032105272 /nfs/dbraw/zinc/10/52/72/1032105272.db2.gz GFFRKZIZZPVKIK-AVRDEDQJSA-N 1 3 381.564 3.741 20 0 GHADHO C[NH+](C)[C@@H](CC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 ZINC000468108741 1015275906 /nfs/dbraw/zinc/27/59/06/1015275906.db2.gz MGAKXXAYQZLRIW-QFIPXVFZSA-N 1 3 397.588 3.909 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001221063327 1032263301 /nfs/dbraw/zinc/26/33/01/1032263301.db2.gz RVJFZDPTXBFMKG-XPWALMASSA-N 1 3 377.532 3.508 20 0 GHADHO Cc1ccc(C[C@H](N)C(=O)N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)c(C)c1 ZINC001221201799 1032327888 /nfs/dbraw/zinc/32/78/88/1032327888.db2.gz LVEDSHMUXMNQLC-XZOQPEGZSA-N 1 3 397.538 3.560 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC001227447814 1032424006 /nfs/dbraw/zinc/42/40/06/1032424006.db2.gz VJZFFNZAUQOLBP-TZIWHRDSSA-N 1 3 388.600 3.516 20 0 GHADHO COC(=O)c1ccc(C[NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)cc1 ZINC001204144239 1032600337 /nfs/dbraw/zinc/60/03/37/1032600337.db2.gz HFYOGQJCCQBROT-OAQYLSRUSA-N 1 3 382.504 3.943 20 0 GHADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OCc1ccccc1 ZINC000925850931 1017161406 /nfs/dbraw/zinc/16/14/06/1017161406.db2.gz ADOKHYFJCGFIEU-ICSRJNTNSA-N 1 3 394.515 3.602 20 0 GHADHO Cc1ccc([C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc2)c(C)c1 ZINC000925853079 1017163203 /nfs/dbraw/zinc/16/32/03/1017163203.db2.gz DVBVRRPSDGOVPJ-IFMALSPDSA-N 1 3 378.516 3.668 20 0 GHADHO C[NH+]1CCC(N(Cc2ccoc2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001204247633 1032688417 /nfs/dbraw/zinc/68/84/17/1032688417.db2.gz MFMKWDYZJMGWFH-UHFFFAOYSA-N 1 3 377.529 3.575 20 0 GHADHO CN(C)C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000558881818 1017308061 /nfs/dbraw/zinc/30/80/61/1017308061.db2.gz ZJLZWCQDCLTDNA-PMACEKPBSA-N 1 3 388.943 3.545 20 0 GHADHO C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC001227962097 1032716654 /nfs/dbraw/zinc/71/66/54/1032716654.db2.gz KZPAEXKVTVPRKT-UGKGYDQZSA-N 1 3 386.584 3.585 20 0 GHADHO CCOc1ccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1OC ZINC001204358645 1032794209 /nfs/dbraw/zinc/79/42/09/1032794209.db2.gz GHKFNMNBNJKFDJ-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO CCOc1ccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1OC ZINC001204358645 1032794229 /nfs/dbraw/zinc/79/42/29/1032794229.db2.gz GHKFNMNBNJKFDJ-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)CC2)CC1 ZINC000566570550 1019238323 /nfs/dbraw/zinc/23/83/23/1019238323.db2.gz LCZCKQHTMOQNPK-UHFFFAOYSA-N 1 3 380.536 3.817 20 0 GHADHO COc1ccc([C@H]2OCC[C@@H]2N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567612254 1019315658 /nfs/dbraw/zinc/31/56/58/1019315658.db2.gz GMUQYJZNKOSZSU-QNWVGRARSA-N 1 3 393.531 3.707 20 0 GHADHO COc1ccc([C@H]2OCC[C@@H]2N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567612254 1019315672 /nfs/dbraw/zinc/31/56/72/1019315672.db2.gz GMUQYJZNKOSZSU-QNWVGRARSA-N 1 3 393.531 3.707 20 0 GHADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000567684612 1019331360 /nfs/dbraw/zinc/33/13/60/1019331360.db2.gz MSSBOIFXFVXOSW-YTFSRNRJSA-N 1 3 382.548 3.616 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000567684612 1019331383 /nfs/dbraw/zinc/33/13/83/1019331383.db2.gz MSSBOIFXFVXOSW-YTFSRNRJSA-N 1 3 382.548 3.616 20 0 GHADHO CCCCN1CCC([N@H+](C)Cc2ccc(I)cc2)CC1 ZINC001204407060 1032830132 /nfs/dbraw/zinc/83/01/32/1032830132.db2.gz NHUXUGPXBVTEAJ-UHFFFAOYSA-N 1 3 386.321 3.988 20 0 GHADHO CCCCN1CCC([N@@H+](C)Cc2ccc(I)cc2)CC1 ZINC001204407060 1032830133 /nfs/dbraw/zinc/83/01/33/1032830133.db2.gz NHUXUGPXBVTEAJ-UHFFFAOYSA-N 1 3 386.321 3.988 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccccc2-c2ccc(Cn3cncn3)cc2)CC1(C)C ZINC000628235810 1020679852 /nfs/dbraw/zinc/67/98/52/1020679852.db2.gz CJVVFAQJALHCKY-QFIPXVFZSA-N 1 3 389.547 3.956 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccccc2-c2ccc(Cn3cncn3)cc2)CC1(C)C ZINC000628235810 1020679863 /nfs/dbraw/zinc/67/98/63/1020679863.db2.gz CJVVFAQJALHCKY-QFIPXVFZSA-N 1 3 389.547 3.956 20 0 GHADHO COc1cccc2c1OCCC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000631619038 1020895583 /nfs/dbraw/zinc/89/55/83/1020895583.db2.gz XZHHEMHDSLBPDM-UNMCSNQZSA-N 1 3 396.531 3.655 20 0 GHADHO COc1cccc2c1OCCC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000631619038 1020895593 /nfs/dbraw/zinc/89/55/93/1020895593.db2.gz XZHHEMHDSLBPDM-UNMCSNQZSA-N 1 3 396.531 3.655 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cccn(C(F)F)c2=O)cc1 ZINC000638363126 1021040787 /nfs/dbraw/zinc/04/07/87/1021040787.db2.gz ITUIUQBTTRECHN-MRXNPFEDSA-N 1 3 375.463 3.908 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2cccn(C(F)F)c2=O)cc1 ZINC000638363126 1021040797 /nfs/dbraw/zinc/04/07/97/1021040797.db2.gz ITUIUQBTTRECHN-MRXNPFEDSA-N 1 3 375.463 3.908 20 0 GHADHO CCCC[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CCC1 ZINC000754344762 1022631365 /nfs/dbraw/zinc/63/13/65/1022631365.db2.gz CCEZJBXZSLAJAU-JOCHJYFZSA-N 1 3 386.584 3.716 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1c[nH]nc1C(F)(F)F)CC2 ZINC001141013780 1023207279 /nfs/dbraw/zinc/20/72/79/1023207279.db2.gz WOPRTBNMSLKWFP-UHFFFAOYSA-N 1 3 393.457 3.700 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1c[nH]nc1C(F)(F)F)CC2 ZINC001141013780 1023207297 /nfs/dbraw/zinc/20/72/97/1023207297.db2.gz WOPRTBNMSLKWFP-UHFFFAOYSA-N 1 3 393.457 3.700 20 0 GHADHO O=C(CN1CCC(CCC[NH+]2CCOCC2)CC1)Nc1ccc2ccccc2c1 ZINC000780331181 1023468639 /nfs/dbraw/zinc/46/86/39/1023468639.db2.gz OYLUDVQTCHKEOW-UHFFFAOYSA-N 1 3 395.547 3.603 20 0 GHADHO Cc1cc([C@H](N)CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc(Cl)n1 ZINC000831495326 1024600210 /nfs/dbraw/zinc/60/02/10/1024600210.db2.gz ABJIHNMUDXFCJY-LJQANCHMSA-N 1 3 386.927 3.710 20 0 GHADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000121866606 1024922019 /nfs/dbraw/zinc/92/20/19/1024922019.db2.gz LWDHOBQJWLDVAE-ZWKOTPCHSA-N 1 3 378.582 3.785 20 0 GHADHO COc1cc(C)c(CN2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c(C)c1C ZINC001138724238 1025251479 /nfs/dbraw/zinc/25/14/79/1025251479.db2.gz LXCPOPGSNFYVIS-ZJSXRUAMSA-N 1 3 386.580 3.801 20 0 GHADHO COc1cc(C)c(CN2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c(C)c1C ZINC001138724238 1025251490 /nfs/dbraw/zinc/25/14/90/1025251490.db2.gz LXCPOPGSNFYVIS-ZJSXRUAMSA-N 1 3 386.580 3.801 20 0 GHADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1nn(CC)c2ccccc12 ZINC001202860707 1025276382 /nfs/dbraw/zinc/27/63/82/1025276382.db2.gz SJWZEIKIFCMLKC-HYBUGGRVSA-N 1 3 392.547 3.683 20 0 GHADHO c1ccc2c(c1)cc(N1CCCC1)nc2NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001162040406 1025557895 /nfs/dbraw/zinc/55/78/95/1025557895.db2.gz UHZUZKSKVIBURC-UHFFFAOYSA-N 1 3 387.531 3.963 20 0 GHADHO COc1ccc(OC)c(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1N ZINC001139273317 1026121078 /nfs/dbraw/zinc/12/10/78/1026121078.db2.gz TVLDEGMKNUVEPJ-UHFFFAOYSA-N 1 3 395.547 3.774 20 0 GHADHO COCCN(C)[C@@H](CNc1cc(C[NH+](C)C)ccn1)c1ccc(Cl)cc1 ZINC001163384941 1026170519 /nfs/dbraw/zinc/17/05/19/1026170519.db2.gz PUTDZGGWQOKJEI-IBGZPJMESA-N 1 3 376.932 3.528 20 0 GHADHO CN1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)cc2)CC1 ZINC001164493334 1026530277 /nfs/dbraw/zinc/53/02/77/1026530277.db2.gz RUHOCNMJYCGVOL-NQHRYMMQSA-N 1 3 390.575 3.761 20 0 GHADHO CN1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)cc2)CC1 ZINC001164493334 1026530283 /nfs/dbraw/zinc/53/02/83/1026530283.db2.gz RUHOCNMJYCGVOL-NQHRYMMQSA-N 1 3 390.575 3.761 20 0 GHADHO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cc(Cl)nc2c1CCNC2 ZINC001165182499 1026651582 /nfs/dbraw/zinc/65/15/82/1026651582.db2.gz NYVRCAGARXTVRD-IIBYNOLFSA-N 1 3 384.955 3.728 20 0 GHADHO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1cc(Cl)nc2c1CCNC2 ZINC001165182499 1026651585 /nfs/dbraw/zinc/65/15/85/1026651585.db2.gz NYVRCAGARXTVRD-IIBYNOLFSA-N 1 3 384.955 3.728 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001165201364 1026662184 /nfs/dbraw/zinc/66/21/84/1026662184.db2.gz HBEZRKUFGZARHE-VQTJNVASSA-N 1 3 394.563 3.654 20 0 GHADHO COc1ccc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(OC)c1 ZINC001203477143 1027366948 /nfs/dbraw/zinc/36/69/48/1027366948.db2.gz LJNPGWCKJIZOBE-UHFFFAOYSA-N 1 3 395.547 3.975 20 0 GHADHO COc1ccc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(OC)c1 ZINC001203477143 1027366966 /nfs/dbraw/zinc/36/69/66/1027366966.db2.gz LJNPGWCKJIZOBE-UHFFFAOYSA-N 1 3 395.547 3.975 20 0 GHADHO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC001141870364 1027516237 /nfs/dbraw/zinc/51/62/37/1027516237.db2.gz AVUUANBVRJXLBQ-UHFFFAOYSA-N 1 3 393.575 3.919 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccc3c1OCO3)CC2 ZINC001141951575 1027735057 /nfs/dbraw/zinc/73/50/57/1027735057.db2.gz KFDXEOMYTPRNIF-NRFANRHFSA-N 1 3 394.515 3.671 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccc3c1OCO3)CC2 ZINC001141951575 1027735078 /nfs/dbraw/zinc/73/50/78/1027735078.db2.gz KFDXEOMYTPRNIF-NRFANRHFSA-N 1 3 394.515 3.671 20 0 GHADHO CCOC(=O)C1CCN(Cc2cccc(Nc3ccc(C[NH2+]C)cc3)c2)CC1 ZINC001211131294 1027801636 /nfs/dbraw/zinc/80/16/36/1027801636.db2.gz FQIDWRRZYPWHBO-UHFFFAOYSA-N 1 3 381.520 3.925 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc4c(c2)OCO4)CC3)c1 ZINC001204051360 1027840183 /nfs/dbraw/zinc/84/01/83/1027840183.db2.gz CJZUNCYOIUTCRY-UHFFFAOYSA-N 1 3 394.515 3.912 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc4c(c2)OCO4)CC3)c1 ZINC001204051360 1027840195 /nfs/dbraw/zinc/84/01/95/1027840195.db2.gz CJZUNCYOIUTCRY-UHFFFAOYSA-N 1 3 394.515 3.912 20 0 GHADHO C[NH+]1CCC(c2ccc(NC(=O)C3CCN(Cc4ccncc4)CC3)cc2)CC1 ZINC001142344999 1028727464 /nfs/dbraw/zinc/72/74/64/1028727464.db2.gz XYMKGBOZBBNHBX-UHFFFAOYSA-N 1 3 392.547 3.742 20 0 GHADHO C[C@@](O)(CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679362 1029483924 /nfs/dbraw/zinc/48/39/24/1029483924.db2.gz LYRJAVXREZZHOI-DENIHFKCSA-N 1 3 386.486 3.959 20 0 GHADHO C[C@@](O)(CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679362 1029483935 /nfs/dbraw/zinc/48/39/35/1029483935.db2.gz LYRJAVXREZZHOI-DENIHFKCSA-N 1 3 386.486 3.959 20 0 GHADHO C[C@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC001222211097 1030008606 /nfs/dbraw/zinc/00/86/06/1030008606.db2.gz KQVIDJJPZXKALD-CUXKYVRBSA-N 1 3 388.600 3.735 20 0 GHADHO C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC001222211097 1030008621 /nfs/dbraw/zinc/00/86/21/1030008621.db2.gz KQVIDJJPZXKALD-CUXKYVRBSA-N 1 3 388.600 3.735 20 0 GHADHO Brc1ccc2ccccc2c1CN1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407965 1030112857 /nfs/dbraw/zinc/11/28/57/1030112857.db2.gz UCJUBIRAKYELLX-UHFFFAOYSA-N 1 3 389.337 3.804 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2CCCc2ccncc2)cc1 ZINC001222576198 1030208265 /nfs/dbraw/zinc/20/82/65/1030208265.db2.gz RQOGOZQEJDAODS-QHCPKHFHSA-N 1 3 379.548 3.818 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2CCCc2ccncc2)cc1 ZINC001222576198 1030208278 /nfs/dbraw/zinc/20/82/78/1030208278.db2.gz RQOGOZQEJDAODS-QHCPKHFHSA-N 1 3 379.548 3.818 20 0 GHADHO OCCc1ccc(CN2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222590769 1030215057 /nfs/dbraw/zinc/21/50/57/1030215057.db2.gz NACPZULPIXMJBM-XMMPIXPASA-N 1 3 394.559 3.525 20 0 GHADHO OCCc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)cc1 ZINC001222590769 1030215072 /nfs/dbraw/zinc/21/50/72/1030215072.db2.gz NACPZULPIXMJBM-XMMPIXPASA-N 1 3 394.559 3.525 20 0 GHADHO OCCc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)cc1 ZINC001222590769 1030215092 /nfs/dbraw/zinc/21/50/92/1030215092.db2.gz NACPZULPIXMJBM-XMMPIXPASA-N 1 3 394.559 3.525 20 0 GHADHO c1[nH]nc2c1cccc2C[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222590905 1030218509 /nfs/dbraw/zinc/21/85/09/1030218509.db2.gz OTRWYPGFJTZYEV-QFIPXVFZSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]nc2c1cccc2C[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222590905 1030218523 /nfs/dbraw/zinc/21/85/23/1030218523.db2.gz OTRWYPGFJTZYEV-QFIPXVFZSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]nc2c1cccc2CN1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590905 1030218539 /nfs/dbraw/zinc/21/85/39/1030218539.db2.gz OTRWYPGFJTZYEV-QFIPXVFZSA-N 1 3 390.531 3.866 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)C)cc1 ZINC001223474235 1030588543 /nfs/dbraw/zinc/58/85/43/1030588543.db2.gz FOJXYANLAUSCQE-VQTJNVASSA-N 1 3 376.589 3.517 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001152023953 1031080302 /nfs/dbraw/zinc/08/03/02/1031080302.db2.gz ZTQWGJZFBNEVEU-GMAHTHKFSA-N 1 3 383.580 3.812 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001152023953 1031080312 /nfs/dbraw/zinc/08/03/12/1031080312.db2.gz ZTQWGJZFBNEVEU-GMAHTHKFSA-N 1 3 383.580 3.812 20 0 GHADHO CSc1cccc(Cl)c1CN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277106735 1031841921 /nfs/dbraw/zinc/84/19/21/1031841921.db2.gz CLKHZVQHTCZXEM-FQEVSTJZSA-N 1 3 396.000 3.581 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC001220610459 1032010116 /nfs/dbraw/zinc/01/01/16/1032010116.db2.gz IUQVZTGKQGCKGF-FGZHOGPDSA-N 1 3 388.600 3.653 20 0 GHADHO C[N@H+](Cc1ccc(F)cc1)C1CCN(c2cc(Cl)nc3c2CCNC3)CC1 ZINC001157075140 1033403138 /nfs/dbraw/zinc/40/31/38/1033403138.db2.gz YWFMWVDQEDKQGT-UHFFFAOYSA-N 1 3 388.918 3.621 20 0 GHADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc(Cl)nc3c2CCNC3)CC1 ZINC001157075140 1033403146 /nfs/dbraw/zinc/40/31/46/1033403146.db2.gz YWFMWVDQEDKQGT-UHFFFAOYSA-N 1 3 388.918 3.621 20 0 GHADHO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001205457053 1033421101 /nfs/dbraw/zinc/42/11/01/1033421101.db2.gz OYFVAJFDAJHTSK-OFNKIYASSA-N 1 3 387.568 3.745 20 0 GHADHO CCOC(=O)N1CC[C@@H](NC[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001205457053 1033421111 /nfs/dbraw/zinc/42/11/11/1033421111.db2.gz OYFVAJFDAJHTSK-OFNKIYASSA-N 1 3 387.568 3.745 20 0 GHADHO CCOC(=O)N1CC[C@@H](NC[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001205457053 1033421123 /nfs/dbraw/zinc/42/11/23/1033421123.db2.gz OYFVAJFDAJHTSK-OFNKIYASSA-N 1 3 387.568 3.745 20 0 GHADHO Fc1cccc2c(C3CC[NH2+]CC3)cn(-c3cc(Cl)nc4c3CCNC4)c21 ZINC001157358891 1033553246 /nfs/dbraw/zinc/55/32/46/1033553246.db2.gz LLGNLTANAVQDGR-UHFFFAOYSA-N 1 3 384.886 3.931 20 0 GHADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(C)c1I ZINC001206036604 1033696201 /nfs/dbraw/zinc/69/62/01/1033696201.db2.gz LWBFGUKJMJFUEC-ZBFHGGJFSA-N 1 3 386.321 3.715 20 0 GHADHO Cc1cc(CN2CCC[C@](C)(C[NH3+])CC2)cc(C)c1I ZINC001206326821 1033797330 /nfs/dbraw/zinc/79/73/30/1033797330.db2.gz PKHKBZWEKACUGJ-KRWDZBQOSA-N 1 3 386.321 3.859 20 0 GHADHO CC1([NH+]2CCOCC2)CCC(N[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC001206720341 1033957202 /nfs/dbraw/zinc/95/72/02/1033957202.db2.gz DBBWZEGFZBLGFW-KGYZHSKHSA-N 1 3 387.351 3.650 20 0 GHADHO CN1CCC(N(c2c(Cl)cc(Cl)nc2Cl)C2CC[NH2+]CC2)CC1 ZINC001158575028 1034161910 /nfs/dbraw/zinc/16/19/10/1034161910.db2.gz GUMRUGIHWMTSMJ-UHFFFAOYSA-N 1 3 377.747 3.694 20 0 GHADHO c1ccc(CN2CCC23CN(CC2CC[NH+](Cc4ccccc4)CC2)C3)cc1 ZINC001207290766 1034242470 /nfs/dbraw/zinc/24/24/70/1034242470.db2.gz BXDBUNWOXWCKSR-UHFFFAOYSA-N 1 3 375.560 3.859 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001230887467 1034273286 /nfs/dbraw/zinc/27/32/86/1034273286.db2.gz ZFFHISCPZSGZPK-HLAWJBBLSA-N 1 3 386.584 3.726 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001230887467 1034273298 /nfs/dbraw/zinc/27/32/98/1034273298.db2.gz ZFFHISCPZSGZPK-HLAWJBBLSA-N 1 3 386.584 3.726 20 0 GHADHO CC1(C)C[C@@H](C[N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CCO1 ZINC001207357247 1034302367 /nfs/dbraw/zinc/30/23/67/1034302367.db2.gz LMGCRBOBWLZFAV-FIXSFTCYSA-N 1 3 390.612 3.652 20 0 GHADHO CC1(C)C[C@@H](C[N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CCO1 ZINC001207357247 1034302385 /nfs/dbraw/zinc/30/23/85/1034302385.db2.gz LMGCRBOBWLZFAV-FIXSFTCYSA-N 1 3 390.612 3.652 20 0 GHADHO C[C@H]1C[C@@H](c2ccncc2Nc2cccc(CN3CCN(C)CC3)c2)C[C@@H]([NH3+])C1 ZINC001159391305 1034575930 /nfs/dbraw/zinc/57/59/30/1034575930.db2.gz QPNCLWWBHRQKST-TYPHKJRUSA-N 1 3 393.579 3.804 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4ccsc43)c3ccccc23)CC1 ZINC001159460260 1034606172 /nfs/dbraw/zinc/60/61/72/1034606172.db2.gz QCLMYSMAZLQLLN-UHFFFAOYSA-N 1 3 377.517 3.601 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)nc4[nH]ccc43)c3ccccc23)CC1 ZINC001159460100 1034606319 /nfs/dbraw/zinc/60/63/19/1034606319.db2.gz OZLSYKPDXSCAAY-UHFFFAOYSA-N 1 3 394.910 3.521 20 0 GHADHO Cc1csc2cnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)nc12 ZINC001159468441 1034610025 /nfs/dbraw/zinc/61/00/25/1034610025.db2.gz WCUAWESMKVJUPB-UHFFFAOYSA-N 1 3 391.544 3.909 20 0 GHADHO CCCC1(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207838444 1034616874 /nfs/dbraw/zinc/61/68/74/1034616874.db2.gz YLAPCBBBGLJJRU-CEXWTWQISA-N 1 3 379.589 3.734 20 0 GHADHO CCN1CCN(c2ccc(Nc3cc(F)ccc3OC3CC[NH2+]CC3)cc2)CC1 ZINC001160135254 1034877103 /nfs/dbraw/zinc/87/71/03/1034877103.db2.gz YRUPOMXLZDTGJU-UHFFFAOYSA-N 1 3 398.526 3.842 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCN2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933726 1035098568 /nfs/dbraw/zinc/09/85/68/1035098568.db2.gz GDSJFYQFNGNXAZ-BHIFYINESA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCN2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933726 1035098573 /nfs/dbraw/zinc/09/85/73/1035098573.db2.gz GDSJFYQFNGNXAZ-BHIFYINESA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208935709 1035102140 /nfs/dbraw/zinc/10/21/40/1035102140.db2.gz LWRQKDQALNWLTI-FDFHNCONSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208935709 1035102143 /nfs/dbraw/zinc/10/21/43/1035102143.db2.gz LWRQKDQALNWLTI-FDFHNCONSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)N(CCC(=O)c1ccc2ccccc2c1)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160999229 1035116380 /nfs/dbraw/zinc/11/63/80/1035116380.db2.gz ZNWDUOINIIJDDV-QFIPXVFZSA-N 1 3 397.563 3.709 20 0 GHADHO FC(F)(F)c1nc(C2CC[NH+](C[C@H]3CCN(Cc4ccccc4)C3)CC2)no1 ZINC001208949318 1035120276 /nfs/dbraw/zinc/12/02/76/1035120276.db2.gz KUPKRPRMVFAYDI-MRXNPFEDSA-N 1 3 394.441 3.790 20 0 GHADHO C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001161046549 1035124911 /nfs/dbraw/zinc/12/49/11/1035124911.db2.gz MTVWOKPKXJPSIK-UYAOXDASSA-N 1 3 379.548 3.823 20 0 GHADHO C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001161046549 1035124915 /nfs/dbraw/zinc/12/49/15/1035124915.db2.gz MTVWOKPKXJPSIK-UYAOXDASSA-N 1 3 379.548 3.823 20 0 GHADHO C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001161046549 1035124918 /nfs/dbraw/zinc/12/49/18/1035124918.db2.gz MTVWOKPKXJPSIK-UYAOXDASSA-N 1 3 379.548 3.823 20 0 GHADHO Cc1ccc(N2C[C@@]3(CCN(Cc4cc(F)cc(C[NH+](C)C)c4)C3)CC2=O)cc1 ZINC001232148246 1035126365 /nfs/dbraw/zinc/12/63/65/1035126365.db2.gz ZVXMLQXFXLQZSK-DEOSSOPVSA-N 1 3 395.522 3.825 20 0 GHADHO C[C@@H]1CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958528 1035129526 /nfs/dbraw/zinc/12/95/26/1035129526.db2.gz PSYWAXLSMNJOBX-GIVPXCGWSA-N 1 3 387.568 3.744 20 0 GHADHO C[C@@H]1CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958528 1035129530 /nfs/dbraw/zinc/12/95/30/1035129530.db2.gz PSYWAXLSMNJOBX-GIVPXCGWSA-N 1 3 387.568 3.744 20 0 GHADHO CC[N@@H+](Cc1cc(F)cc(CN(C)C)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232151101 1035130581 /nfs/dbraw/zinc/13/05/81/1035130581.db2.gz MOYSWFVDTUEVPO-QGZVFWFLSA-N 1 3 393.547 3.966 20 0 GHADHO CC[N@H+](Cc1cc(F)cc(CN(C)C)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232151101 1035130586 /nfs/dbraw/zinc/13/05/86/1035130586.db2.gz MOYSWFVDTUEVPO-QGZVFWFLSA-N 1 3 393.547 3.966 20 0 GHADHO Fc1cccc2c(CN3CCc4ncc(C[NH+]5CCCCC5)n4CC3)ccnc12 ZINC001232208274 1035163380 /nfs/dbraw/zinc/16/33/80/1035163380.db2.gz OPIPNEFFTOKOMB-UHFFFAOYSA-N 1 3 393.510 3.615 20 0 GHADHO Cc1ccc(Oc2ccccc2C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161449350 1035233339 /nfs/dbraw/zinc/23/33/39/1035233339.db2.gz MEUMROWGPRCOKO-IBGZPJMESA-N 1 3 381.520 3.543 20 0 GHADHO O=C(CC1CCC2(CC1)CC[NH+](CCCN1CCCCC1)CC2)N1CC=CC1 ZINC001209450722 1035277325 /nfs/dbraw/zinc/27/73/25/1035277325.db2.gz AZBLNQRWYHVWTA-UHFFFAOYSA-N 1 3 387.612 3.923 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC001245995108 1037116730 /nfs/dbraw/zinc/11/67/30/1037116730.db2.gz PEOGFQBSBAQILT-ZCNNSNEGSA-N 1 3 380.866 3.590 20 0 GHADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC1(Cc2ccccc2C(F)(F)F)CCC1 ZINC001246006303 1037125184 /nfs/dbraw/zinc/12/51/84/1037125184.db2.gz KSDLJTIQMRQKFU-VQTJNVASSA-N 1 3 392.465 3.691 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(NC[C@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246106910 1037196458 /nfs/dbraw/zinc/19/64/58/1037196458.db2.gz QMNRVUGFEKGGOA-MMXVYOJRSA-N 1 3 378.944 3.671 20 0 GHADHO Cc1ccc2c(c1)[C@H](N[C@H](C)CS(=O)(=O)c1ccccc1)CC21CC[NH2+]CC1 ZINC001246132910 1037209843 /nfs/dbraw/zinc/20/98/43/1037209843.db2.gz IONXMLQXQPTRLB-XMSQKQJNSA-N 1 3 398.572 3.513 20 0 GHADHO CCOC(=O)CC1(N[C@@H](C)CCc2ccc3cc(OC)ccc3c2)CC[NH2+]CC1 ZINC001246322552 1037293646 /nfs/dbraw/zinc/29/36/46/1037293646.db2.gz AJHMPYVRIYDNPD-SFHVURJKSA-N 1 3 398.547 3.835 20 0 GHADHO CCCC[C@H]1C[C@H]([NH2+]C2CCN(Cc3cc(OC)ccc3F)CC2)CCN1 ZINC001246358563 1037317153 /nfs/dbraw/zinc/31/71/53/1037317153.db2.gz GNQUWJBQGCGLOH-VQTJNVASSA-N 1 3 377.548 3.699 20 0 GHADHO CCCC[C@H]1C[C@H]([NH2+]C2CCN(Cc3cc(F)ccc3OC)CC2)CCN1 ZINC001246361355 1037320813 /nfs/dbraw/zinc/32/08/13/1037320813.db2.gz XJROXVNRULYNPY-LEWJYISDSA-N 1 3 377.548 3.699 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2cccc(OC)c2)CCNCC1 ZINC001246379583 1037338562 /nfs/dbraw/zinc/33/85/62/1037338562.db2.gz YMXKKSMJTDAOLJ-HXUWFJFHSA-N 1 3 396.531 3.700 20 0 GHADHO COc1ccc(C2([NH2+][C@H]3CCc4cc(F)c(F)c(F)c4C3)CCNCC2)cc1 ZINC001246381052 1037341935 /nfs/dbraw/zinc/34/19/35/1037341935.db2.gz NQAQSPVTZJTQDV-INIZCTEOSA-N 1 3 390.449 3.838 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)CC1 ZINC001246384789 1037345151 /nfs/dbraw/zinc/34/51/51/1037345151.db2.gz BPVNFNHDBXETEO-IEBWSBKVSA-N 1 3 378.944 3.716 20 0 GHADHO CC[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CCN1 ZINC001246410662 1037368287 /nfs/dbraw/zinc/36/82/87/1037368287.db2.gz ITRYDJRHBKWOJR-OALUTQOASA-N 1 3 395.385 3.909 20 0 GHADHO FC(F)(F)c1cccc(C2([NH2+][C@@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246429009 1037388775 /nfs/dbraw/zinc/38/87/75/1037388775.db2.gz FXSDSQIUMLEJKE-HUUCEWRRSA-N 1 3 395.391 3.557 20 0 GHADHO FC1(F)CNCC[C@H]1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001246487792 1037435318 /nfs/dbraw/zinc/43/53/18/1037435318.db2.gz MJPDROQKMILNKN-XSDIEEQYSA-N 1 3 377.523 3.797 20 0 GHADHO CCCC[C@@H]1C[C@H](NC[C@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246508106 1037447953 /nfs/dbraw/zinc/44/79/53/1037447953.db2.gz CZRFQSJMDNNLIX-BMGDILEWSA-N 1 3 381.358 3.901 20 0 GHADHO C[C@@H]1C[C@H](N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)CN1Cc1ccccc1 ZINC001246624381 1037516172 /nfs/dbraw/zinc/51/61/72/1037516172.db2.gz DSABPUGYFHYJGW-NZSAHSFTSA-N 1 3 381.486 3.656 20 0 GHADHO CCOC(=O)CC1CCC([N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246671055 1037538128 /nfs/dbraw/zinc/53/81/28/1037538128.db2.gz FVXAWOCGSXHGCR-QJAIODELSA-N 1 3 384.564 3.752 20 0 GHADHO CCOC(=O)CC1CCC([N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246671055 1037538140 /nfs/dbraw/zinc/53/81/40/1037538140.db2.gz FVXAWOCGSXHGCR-QJAIODELSA-N 1 3 384.564 3.752 20 0 GHADHO CC1(C)COC2(CCC([N@@H+]3CC[C@@]4(c5ccccc5)CCNC[C@H]4C3)CC2)OC1 ZINC001246675677 1037543232 /nfs/dbraw/zinc/54/32/32/1037543232.db2.gz XNAMLQMBZXRKQC-XUZZJYLKSA-N 1 3 398.591 3.952 20 0 GHADHO CC1(C)COC2(CCC([N@H+]3CC[C@@]4(c5ccccc5)CCNC[C@H]4C3)CC2)OC1 ZINC001246675677 1037543239 /nfs/dbraw/zinc/54/32/39/1037543239.db2.gz XNAMLQMBZXRKQC-XUZZJYLKSA-N 1 3 398.591 3.952 20 0 GHADHO Fc1cccc(N2CCC(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)c1 ZINC001246684944 1037548291 /nfs/dbraw/zinc/54/82/91/1037548291.db2.gz YJBRKKCAYRNPGW-DNQXCXABSA-N 1 3 379.523 3.874 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725514 1037574425 /nfs/dbraw/zinc/57/44/25/1037574425.db2.gz ZRFUSVAUDMIPLD-URVUXULASA-N 1 3 389.609 3.987 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246725260 1037575997 /nfs/dbraw/zinc/57/59/97/1037575997.db2.gz ZOAJQJPBCLPEOE-OYRHQHFDSA-N 1 3 397.607 3.854 20 0 GHADHO Cc1cccc(N2C[C@]3(CCN([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)c1 ZINC001246750153 1037590922 /nfs/dbraw/zinc/59/09/22/1037590922.db2.gz SVUKTNASVVPIFF-JTHBVZDNSA-N 1 3 381.564 3.879 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)CC[NH2+]1 ZINC001246772919 1037614833 /nfs/dbraw/zinc/61/48/33/1037614833.db2.gz BXFQSMHBWTXKFD-YOSAUDMPSA-N 1 3 383.580 3.944 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246822468 1037656097 /nfs/dbraw/zinc/65/60/97/1037656097.db2.gz BAPZZWSSIHDUFN-YFNVTMOMSA-N 1 3 384.564 3.792 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246822468 1037656116 /nfs/dbraw/zinc/65/61/16/1037656116.db2.gz BAPZZWSSIHDUFN-YFNVTMOMSA-N 1 3 384.564 3.792 20 0 GHADHO CC[C@H]1CN(Cc2ccccc2)CCN1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246913038 1037719834 /nfs/dbraw/zinc/71/98/34/1037719834.db2.gz JLXXTMBTQDLKPL-CCDWMCETSA-N 1 3 377.576 3.946 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246956765 1037767915 /nfs/dbraw/zinc/76/79/15/1037767915.db2.gz UUYKQUSTSLFYHG-UWJYYQICSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246956765 1037767944 /nfs/dbraw/zinc/76/79/44/1037767944.db2.gz UUYKQUSTSLFYHG-UWJYYQICSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246958762 1037773519 /nfs/dbraw/zinc/77/35/19/1037773519.db2.gz GTPKSCHJKOVKQJ-UTKZUKDTSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246958762 1037773544 /nfs/dbraw/zinc/77/35/44/1037773544.db2.gz GTPKSCHJKOVKQJ-UTKZUKDTSA-N 1 3 376.516 3.810 20 0 GHADHO CN1CCC([N@H+](C2CCNCC2)[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246993007 1037818631 /nfs/dbraw/zinc/81/86/31/1037818631.db2.gz JPZYDAHQZZUXQW-LJQANCHMSA-N 1 3 396.406 3.999 20 0 GHADHO CN1CCC([N@@H+](C2CCNCC2)[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246993007 1037818656 /nfs/dbraw/zinc/81/86/56/1037818656.db2.gz JPZYDAHQZZUXQW-LJQANCHMSA-N 1 3 396.406 3.999 20 0 GHADHO CC1(c2nc3cc(N4CCN(Cc5ccccc5)CC4)ccc3[nH]2)CC[NH2+]CC1 ZINC001247011126 1037835145 /nfs/dbraw/zinc/83/51/45/1037835145.db2.gz QGDRIJBHPFNLBD-UHFFFAOYSA-N 1 3 389.547 3.526 20 0 GHADHO Cc1cccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1OCc1ccccc1 ZINC001232400511 1038185526 /nfs/dbraw/zinc/18/55/26/1038185526.db2.gz SABSJLOANRRYRA-UHFFFAOYSA-N 1 3 393.575 3.786 20 0 GHADHO CCC[C@H]1CC[C@H](c2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cc2)CC1 ZINC001247852931 1038426742 /nfs/dbraw/zinc/42/67/42/1038426742.db2.gz YQQLCSWCYRKUFL-KKEUMFBDSA-N 1 3 380.536 3.871 20 0 GHADHO CNc1ccccc1C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001232667232 1038462667 /nfs/dbraw/zinc/46/26/67/1038462667.db2.gz DKKCOLBBHUDTLW-JOCHJYFZSA-N 1 3 379.548 3.984 20 0 GHADHO Cc1ncc(F)cc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001232987874 1038752396 /nfs/dbraw/zinc/75/23/96/1038752396.db2.gz FQRQUTINVXUTQQ-JOCHJYFZSA-N 1 3 383.511 3.785 20 0 GHADHO Cc1ncc(F)cc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001232987874 1038752404 /nfs/dbraw/zinc/75/24/04/1038752404.db2.gz FQRQUTINVXUTQQ-JOCHJYFZSA-N 1 3 383.511 3.785 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124723 1038911297 /nfs/dbraw/zinc/91/12/97/1038911297.db2.gz OMLKRPLGXLKIFF-ITSWEJNFSA-N 1 3 393.510 3.830 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124723 1038911302 /nfs/dbraw/zinc/91/13/02/1038911302.db2.gz OMLKRPLGXLKIFF-ITSWEJNFSA-N 1 3 393.510 3.830 20 0 GHADHO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252289612 1038926326 /nfs/dbraw/zinc/92/63/26/1038926326.db2.gz ZNCIEXRGNJMZGP-JWQCQUIFSA-N 1 3 394.559 3.552 20 0 GHADHO O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252289612 1038926334 /nfs/dbraw/zinc/92/63/34/1038926334.db2.gz ZNCIEXRGNJMZGP-JWQCQUIFSA-N 1 3 394.559 3.552 20 0 GHADHO O[C@@]1(CN[C@H](CC2CCOCC2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950174 1039294373 /nfs/dbraw/zinc/29/43/73/1039294373.db2.gz FPXDGPXMWDJWQJ-JWQCQUIFSA-N 1 3 394.559 3.771 20 0 GHADHO O[C@@]1(CN[C@H](CC2CCOCC2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950174 1039294380 /nfs/dbraw/zinc/29/43/80/1039294380.db2.gz FPXDGPXMWDJWQJ-JWQCQUIFSA-N 1 3 394.559 3.771 20 0 GHADHO CCN(CC)C[C@@H](O)C[NH+]1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 ZINC001253185417 1039466414 /nfs/dbraw/zinc/46/64/14/1039466414.db2.gz QYOIADARRWWTLI-HSZRJFAPSA-N 1 3 393.575 3.731 20 0 GHADHO OC1(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038009 1039968707 /nfs/dbraw/zinc/96/87/07/1039968707.db2.gz XBXPZXOUDCWJDL-HSZRJFAPSA-N 1 3 380.532 3.557 20 0 GHADHO OC1(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038009 1039968709 /nfs/dbraw/zinc/96/87/09/1039968709.db2.gz XBXPZXOUDCWJDL-HSZRJFAPSA-N 1 3 380.532 3.557 20 0 GHADHO COC1(c2ccccc2)CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254040414 1039970249 /nfs/dbraw/zinc/97/02/49/1039970249.db2.gz SPCZDGPGDIKCDN-UHFFFAOYSA-N 1 3 394.559 3.651 20 0 GHADHO OC1(C[NH2+]Cc2cc(F)ccc2C(F)(F)F)CCN(Cc2ccccc2)CC1 ZINC001254049969 1039975686 /nfs/dbraw/zinc/97/56/86/1039975686.db2.gz WZKSAOXIECVUAM-UHFFFAOYSA-N 1 3 396.428 3.961 20 0 GHADHO C[N@@H+]1CCC[C@H](N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)CC1 ZINC001254520867 1040295991 /nfs/dbraw/zinc/29/59/91/1040295991.db2.gz FYMASFDFXJZNGV-FQEVSTJZSA-N 1 3 381.564 3.651 20 0 GHADHO C[N@H+]1CCC[C@H](N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)CC1 ZINC001254520867 1040296007 /nfs/dbraw/zinc/29/60/07/1040296007.db2.gz FYMASFDFXJZNGV-FQEVSTJZSA-N 1 3 381.564 3.651 20 0 GHADHO C[NH+]1C(C)(C)CC(N[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001254685602 1040442285 /nfs/dbraw/zinc/44/22/85/1040442285.db2.gz DFYXUONDQXLOMC-INIZCTEOSA-N 1 3 397.629 3.722 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001254685602 1040442297 /nfs/dbraw/zinc/44/22/97/1040442297.db2.gz DFYXUONDQXLOMC-INIZCTEOSA-N 1 3 397.629 3.722 20 0 GHADHO CCCC[NH+]1CCC(N(C)[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254710854 1040471382 /nfs/dbraw/zinc/47/13/82/1040471382.db2.gz AOWVQFPOONAHMI-GOSISDBHSA-N 1 3 397.629 3.678 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763593 1040523481 /nfs/dbraw/zinc/52/34/81/1040523481.db2.gz ALBUJDAQDBIMPF-QUCCMNQESA-N 1 3 387.568 3.873 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763593 1040523500 /nfs/dbraw/zinc/52/35/00/1040523500.db2.gz ALBUJDAQDBIMPF-QUCCMNQESA-N 1 3 387.568 3.873 20 0 GHADHO Fc1ccccc1-c1ncc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)cn1 ZINC001235091758 1040580738 /nfs/dbraw/zinc/58/07/38/1040580738.db2.gz AAKULEKGQVJNMO-UHFFFAOYSA-N 1 3 388.490 3.920 20 0 GHADHO COc1cc(CN2CCC3(CC[NH2+]C3)CC2)c(OCc2ccccc2)cc1OC ZINC001235104961 1040591594 /nfs/dbraw/zinc/59/15/94/1040591594.db2.gz YMQLWHWPVNTHIQ-UHFFFAOYSA-N 1 3 396.531 3.858 20 0 GHADHO Cc1cnc(F)c(CN2CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001235330872 1040802252 /nfs/dbraw/zinc/80/22/52/1040802252.db2.gz CVGGVOMIGKDINP-GOSISDBHSA-N 1 3 389.540 3.846 20 0 GHADHO Cc1cnc(F)c(CN2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001235330872 1040802273 /nfs/dbraw/zinc/80/22/73/1040802273.db2.gz CVGGVOMIGKDINP-GOSISDBHSA-N 1 3 389.540 3.846 20 0 GHADHO Cc1nccn1-c1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235365263 1040855218 /nfs/dbraw/zinc/85/52/18/1040855218.db2.gz NKYKZIKBXOIHLN-UKILVPOCSA-N 1 3 386.543 3.934 20 0 GHADHO Cc1cc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c(OCc2ccccc2)cc1C ZINC001235379236 1040899182 /nfs/dbraw/zinc/89/91/82/1040899182.db2.gz MOCJCGHFRAIDGR-VDKIKQQVSA-N 1 3 392.543 3.835 20 0 GHADHO Cn1ccc(-c2ccc(CN3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)cc2)n1 ZINC001235387824 1040905017 /nfs/dbraw/zinc/90/50/17/1040905017.db2.gz XSMZSUOBICJRMH-NOZRDPDXSA-N 1 3 386.543 3.840 20 0 GHADHO Cc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1I ZINC001235429635 1040931387 /nfs/dbraw/zinc/93/13/87/1040931387.db2.gz BSDZWQJXFSRDRG-SJORKVTESA-N 1 3 398.332 3.811 20 0 GHADHO O=C1NCCCN1c1cccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)c1 ZINC001255393687 1040981327 /nfs/dbraw/zinc/98/13/27/1040981327.db2.gz UBSNPSNNIOAXQB-JOCHJYFZSA-N 1 3 392.547 3.751 20 0 GHADHO COC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCCN(Cc3ccccc3)CC1)CC2 ZINC001255398932 1040985462 /nfs/dbraw/zinc/98/54/62/1040985462.db2.gz NBFLABURSUNRIX-QFIPXVFZSA-N 1 3 399.579 3.986 20 0 GHADHO Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409694 1040998588 /nfs/dbraw/zinc/99/85/88/1040998588.db2.gz LDCKKNHDMBSDFY-FCHUYYIVSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1nccnc1O[C@@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409694 1040998593 /nfs/dbraw/zinc/99/85/93/1040998593.db2.gz LDCKKNHDMBSDFY-FCHUYYIVSA-N 1 3 380.536 3.683 20 0 GHADHO FC(F)(F)c1ccc(O[C@H]2CCCN(Cc3ccc4n3CC[NH2+]C4)C2)cc1 ZINC001235688605 1041158786 /nfs/dbraw/zinc/15/87/86/1041158786.db2.gz RZKZAZGFYFPZNF-IBGZPJMESA-N 1 3 379.426 3.654 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN(C)CCC1CC[NH2+]CC1 ZINC001235717905 1041201748 /nfs/dbraw/zinc/20/17/48/1041201748.db2.gz PBQFCMYJCKJANN-UHFFFAOYSA-N 1 3 377.916 3.820 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001255947901 1041431451 /nfs/dbraw/zinc/43/14/51/1041431451.db2.gz YOXNGHRDXRZOHT-RBUKOAKNSA-N 1 3 397.604 3.645 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](N2Cc3c(cccc3F)C2=O)CC1 ZINC001255952261 1041433656 /nfs/dbraw/zinc/43/36/56/1041433656.db2.gz DULMVYAZDLSZED-KZNAEPCWSA-N 1 3 375.532 3.803 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001255958714 1041436918 /nfs/dbraw/zinc/43/69/18/1041436918.db2.gz FDAOAZYCLWWSNK-VQTJNVASSA-N 1 3 393.641 3.924 20 0 GHADHO Nc1ccc(OC(F)(F)F)cc1CN1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235971979 1041475237 /nfs/dbraw/zinc/47/52/37/1041475237.db2.gz DWZZSBDBOUHXGZ-UHFFFAOYSA-N 1 3 391.437 3.804 20 0 GHADHO Cn1nc(C(F)(F)F)cc1-c1ccc(CN2CC3(C2)CCC[NH2+]CC3)s1 ZINC001236008429 1041500047 /nfs/dbraw/zinc/50/00/47/1041500047.db2.gz DPRTXXNSGRWMGO-UHFFFAOYSA-N 1 3 384.471 3.743 20 0 GHADHO Fc1cc(-c2ccc(OCC[NH+]3CCCC3)nn2)ccc1CN1CCCCC1 ZINC001236230740 1041634231 /nfs/dbraw/zinc/63/42/31/1041634231.db2.gz FDDDORQOJIMUNF-UHFFFAOYSA-N 1 3 384.499 3.743 20 0 GHADHO FC(F)(F)c1ccc(Br)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321190 1041670000 /nfs/dbraw/zinc/67/00/00/1041670000.db2.gz XUHJVTNBHOVZRC-TXEJJXNPSA-N 1 3 377.248 3.899 20 0 GHADHO COCCCOc1cc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc1OC ZINC001236376583 1041688452 /nfs/dbraw/zinc/68/84/52/1041688452.db2.gz UBSYMVKXOAYFOU-HXUWFJFHSA-N 1 3 390.568 3.855 20 0 GHADHO COCCCOc1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1OC ZINC001236456651 1041720416 /nfs/dbraw/zinc/72/04/16/1041720416.db2.gz BUZGAJFERPQJAE-UHFFFAOYSA-N 1 3 378.557 3.711 20 0 GHADHO COCCCOc1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1OC ZINC001236456651 1041720420 /nfs/dbraw/zinc/72/04/20/1041720420.db2.gz BUZGAJFERPQJAE-UHFFFAOYSA-N 1 3 378.557 3.711 20 0 GHADHO CCCN(Cc1cc(C)c(I)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236843600 1041925761 /nfs/dbraw/zinc/92/57/61/1041925761.db2.gz KWBFEWGXHARXPH-HNNXBMFYSA-N 1 3 386.321 3.730 20 0 GHADHO COC(=O)Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC001237487412 1042230422 /nfs/dbraw/zinc/23/04/22/1042230422.db2.gz FDCCJVOUVBWRCE-RUZDIDTESA-N 1 3 392.543 3.890 20 0 GHADHO COC(=O)Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC001237487412 1042230426 /nfs/dbraw/zinc/23/04/26/1042230426.db2.gz FDCCJVOUVBWRCE-RUZDIDTESA-N 1 3 392.543 3.890 20 0 GHADHO O=C1Nc2ccc(-c3ccc(F)c(CN4CCCC4)c3)cc2C12CC[NH2+]CC2 ZINC001240818192 1042956464 /nfs/dbraw/zinc/95/64/64/1042956464.db2.gz UFBBGPYWADTZLN-UHFFFAOYSA-N 1 3 379.479 3.662 20 0 GHADHO C[C@H]1C[C@@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256528871 1043459061 /nfs/dbraw/zinc/45/90/61/1043459061.db2.gz NDCTXUFYXQQNFG-CKLTXHEASA-N 1 3 377.532 3.649 20 0 GHADHO C[C@H]1C[C@@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256528871 1043459065 /nfs/dbraw/zinc/45/90/65/1043459065.db2.gz NDCTXUFYXQQNFG-CKLTXHEASA-N 1 3 377.532 3.649 20 0 GHADHO C[C@H]1C[C@@H](N2CCN(CCc3cccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256551467 1043516927 /nfs/dbraw/zinc/51/69/27/1043516927.db2.gz SANWJHNMDRHHSI-UNMCSNQZSA-N 1 3 383.605 3.961 20 0 GHADHO C[C@H]1C[C@@H](N2CCN(CCc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256551467 1043516934 /nfs/dbraw/zinc/51/69/34/1043516934.db2.gz SANWJHNMDRHHSI-UNMCSNQZSA-N 1 3 383.605 3.961 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[C@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256555312 1043524825 /nfs/dbraw/zinc/52/48/25/1043524825.db2.gz WGUQQWPJRQLOJP-KRWDZBQOSA-N 1 3 379.589 3.876 20 0 GHADHO Fc1ccc2c(c1)n(C1CCN(Cc3ccncc3)CC1)nc2C1CC[NH2+]CC1 ZINC001256592442 1043558764 /nfs/dbraw/zinc/55/87/64/1043558764.db2.gz FLZRUODAGRMGFG-UHFFFAOYSA-N 1 3 393.510 3.875 20 0 GHADHO Fc1ccccc1[C@H](CC1CCOCC1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687142 1043622251 /nfs/dbraw/zinc/62/22/51/1043622251.db2.gz OBYPXIHRGPHHEY-XPJNUEMQSA-N 1 3 390.543 3.917 20 0 GHADHO Fc1ccc(-c2nc(C[NH2+]C3CCC(N4CCOCC4)CC3)cs2)cc1 ZINC001256688248 1043623645 /nfs/dbraw/zinc/62/36/45/1043623645.db2.gz VNTKNKGQAHPBCL-UHFFFAOYSA-N 1 3 375.513 3.682 20 0 GHADHO Brc1ccc([C@@H]2C[C@@H]2[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256688714 1043624366 /nfs/dbraw/zinc/62/43/66/1043624366.db2.gz JHZOQDLMBIIQFF-BTRQGYIVSA-N 1 3 379.342 3.538 20 0 GHADHO C[C@@H](Cc1ccncc1)[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001256744810 1043645195 /nfs/dbraw/zinc/64/51/95/1043645195.db2.gz ZFDYJWFAMNRSPF-REWPJTCUSA-N 1 3 379.548 3.768 20 0 GHADHO CSc1ncc(CN2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)cn1 ZINC001278974501 1043731582 /nfs/dbraw/zinc/73/15/82/1043731582.db2.gz DOEDDSXYDJZSLX-IYBDPMFKSA-N 1 3 388.503 3.685 20 0 GHADHO CSc1ncc(CN2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)cn1 ZINC001278974501 1043731592 /nfs/dbraw/zinc/73/15/92/1043731592.db2.gz DOEDDSXYDJZSLX-IYBDPMFKSA-N 1 3 388.503 3.685 20 0 GHADHO CC(C)[C@@H]1C[C@@H]([NH+]2CCC(N(C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206884 1043936881 /nfs/dbraw/zinc/93/68/81/1043936881.db2.gz XFBLGFFYLXWDMJ-PMACEKPBSA-N 1 3 379.589 3.969 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001258001201 1044328740 /nfs/dbraw/zinc/32/87/40/1044328740.db2.gz GYPODYOFBWQLDX-OALUTQOASA-N 1 3 381.605 3.980 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001258006682 1044334018 /nfs/dbraw/zinc/33/40/18/1044334018.db2.gz KYUFGBIDWHWELB-NRFANRHFSA-N 1 3 389.584 3.832 20 0 GHADHO CCC[NH+]1CCC(N(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)CC1 ZINC001258776725 1044760525 /nfs/dbraw/zinc/76/05/25/1044760525.db2.gz GSOOKWUHDLNMIT-UHFFFAOYSA-N 1 3 398.588 3.626 20 0 GHADHO Cc1ncsc1C[N@@H+]1CCCC2(CCN(Cc3cnc(Cl)nc3)CC2)C1 ZINC001279182493 1047738934 /nfs/dbraw/zinc/73/89/34/1047738934.db2.gz WDQQCAXQDZJJBQ-UHFFFAOYSA-N 1 3 391.972 3.773 20 0 GHADHO Cc1ncsc1C[N@H+]1CCCC2(CCN(Cc3cnc(Cl)nc3)CC2)C1 ZINC001279182493 1047738940 /nfs/dbraw/zinc/73/89/40/1047738940.db2.gz WDQQCAXQDZJJBQ-UHFFFAOYSA-N 1 3 391.972 3.773 20 0 GHADHO CC[C@@H](C)[N@H+](C)CCn1c(C(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305602183 1048176240 /nfs/dbraw/zinc/17/62/40/1048176240.db2.gz ARPCBHIERBVHFX-LJQANCHMSA-N 1 3 392.636 3.690 20 0 GHADHO CC[C@@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305602183 1048176252 /nfs/dbraw/zinc/17/62/52/1048176252.db2.gz ARPCBHIERBVHFX-LJQANCHMSA-N 1 3 392.636 3.690 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001307670801 1049491952 /nfs/dbraw/zinc/49/19/52/1049491952.db2.gz UDTLZNYBTQAYEV-YDZRNGNQSA-N 1 3 379.589 3.922 20 0 GHADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC001307875942 1049657514 /nfs/dbraw/zinc/65/75/14/1049657514.db2.gz ZHENMFUWCJVIER-UHFFFAOYSA-N 1 3 392.425 3.641 20 0 GHADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC001307875942 1049657522 /nfs/dbraw/zinc/65/75/22/1049657522.db2.gz ZHENMFUWCJVIER-UHFFFAOYSA-N 1 3 392.425 3.641 20 0 GHADHO C[C@@H]1CN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308038661 1049789239 /nfs/dbraw/zinc/78/92/39/1049789239.db2.gz AKGIEPRMSBUUPH-MOPGFXCFSA-N 1 3 388.556 3.629 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc4c(c3)OC(F)(F)O4)cc2)CC1 ZINC001308400595 1049967148 /nfs/dbraw/zinc/96/71/48/1049967148.db2.gz GULOEUSQTZLPFN-UHFFFAOYSA-N 1 3 390.430 3.771 20 0 GHADHO CC1([NH+]2CCCC2)CCC(NCc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC001308525723 1049998740 /nfs/dbraw/zinc/99/87/40/1049998740.db2.gz YYFSSQVQDJTJAQ-UHFFFAOYSA-N 1 3 382.451 3.903 20 0 GHADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Br)c(Br)c3)[C@H]2C1 ZINC001308555765 1050007601 /nfs/dbraw/zinc/00/76/01/1050007601.db2.gz XPVLRXXJWMMYBA-SLEUVZQESA-N 1 3 388.147 3.641 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001308898339 1050147793 /nfs/dbraw/zinc/14/77/93/1050147793.db2.gz VCYPTKQGKWBWFD-HBDUWURDSA-N 1 3 399.579 3.601 20 0 GHADHO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)N(C)Cc1ccccc1 ZINC001311986502 1052514928 /nfs/dbraw/zinc/51/49/28/1052514928.db2.gz LACKEMLKUGCNIH-SIKLNZKXSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)N(C)Cc1ccccc1 ZINC001311986502 1052514938 /nfs/dbraw/zinc/51/49/38/1052514938.db2.gz LACKEMLKUGCNIH-SIKLNZKXSA-N 1 3 386.584 3.603 20 0 GHADHO CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)[C@@H]1CCN(C)C1 ZINC001312268520 1052670557 /nfs/dbraw/zinc/67/05/57/1052670557.db2.gz SUNIUHXBCDIJOU-BAGYTPMASA-N 1 3 388.600 3.878 20 0 GHADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC001312754416 1052858675 /nfs/dbraw/zinc/85/86/75/1052858675.db2.gz UHHCARXIJHSIGJ-IBGZPJMESA-N 1 3 392.613 3.527 20 0 GHADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001318505782 1054686600 /nfs/dbraw/zinc/68/66/00/1054686600.db2.gz ZQGCAGNXQSJHJD-HSZRJFAPSA-N 1 3 385.596 3.928 20 0 GHADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001318505782 1054686608 /nfs/dbraw/zinc/68/66/08/1054686608.db2.gz ZQGCAGNXQSJHJD-HSZRJFAPSA-N 1 3 385.596 3.928 20 0 GHADHO CC[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc2c(c1)CCCO2 ZINC001319911683 1055536722 /nfs/dbraw/zinc/53/67/22/1055536722.db2.gz QMKFMEQJKMWPSW-XMMPIXPASA-N 1 3 393.575 4.000 20 0 GHADHO FC(F)CN1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001324703802 1057207464 /nfs/dbraw/zinc/20/74/64/1057207464.db2.gz BPLMSETVHSBXPF-SESVDKBCSA-N 1 3 377.523 3.606 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC001325497700 1057334932 /nfs/dbraw/zinc/33/49/32/1057334932.db2.gz BSIFDZRIYZTQLJ-FQEVSTJZSA-N 1 3 392.613 3.527 20 0 GHADHO [NH2+]=C(NCC1(c2ccccc2)CCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849055851 1057565826 /nfs/dbraw/zinc/56/58/26/1057565826.db2.gz HFNRTWYQCSRHEF-UHFFFAOYSA-N 1 3 376.548 3.887 20 0 GHADHO COc1ccccc1C(C)(C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849065827 1057576094 /nfs/dbraw/zinc/57/60/94/1057576094.db2.gz ALPZFNOQOGLHCI-UHFFFAOYSA-N 1 3 394.563 3.751 20 0 GHADHO [NH2+]=C(NC[C@H]1CCCc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000849069416 1057580119 /nfs/dbraw/zinc/58/01/19/1057580119.db2.gz JWMMXVXUZNDQGB-OAQYLSRUSA-N 1 3 376.548 3.885 20 0 GHADHO O=C([C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCN(CC2CCCCC2)CC1 ZINC001442470668 1058964981 /nfs/dbraw/zinc/96/49/81/1058964981.db2.gz FZLONOHZVZJVAL-XMMPIXPASA-N 1 3 397.607 3.666 20 0 GHADHO O=C([C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCN(CC2CCCCC2)CC1 ZINC001442470668 1058964984 /nfs/dbraw/zinc/96/49/84/1058964984.db2.gz FZLONOHZVZJVAL-XMMPIXPASA-N 1 3 397.607 3.666 20 0 GHADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC001446718021 1059841634 /nfs/dbraw/zinc/84/16/34/1059841634.db2.gz WOWAYVMAKGEBBP-CJRSTVEYSA-N 1 3 397.607 3.914 20 0 GHADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC001446718021 1059841659 /nfs/dbraw/zinc/84/16/59/1059841659.db2.gz WOWAYVMAKGEBBP-CJRSTVEYSA-N 1 3 397.607 3.914 20 0 GHADHO O=C(NCC1CC1)[C@@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001459316196 1064059802 /nfs/dbraw/zinc/05/98/02/1064059802.db2.gz VIJHTFBIIMRVEX-XMMPIXPASA-N 1 3 397.607 3.569 20 0 GHADHO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001459316196 1064059812 /nfs/dbraw/zinc/05/98/12/1064059812.db2.gz VIJHTFBIIMRVEX-XMMPIXPASA-N 1 3 397.607 3.569 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H](c1ccccc1)C1CCCC1)c1ccccc1 ZINC001459708200 1064180142 /nfs/dbraw/zinc/18/01/42/1064180142.db2.gz UOXLIQKOXSVMEH-ISKFKSNPSA-N 1 3 379.548 3.927 20 0 GHADHO c1ccc(CCN2CC[C@@H](C[NH2+]Cc3ccc(Oc4cnccn4)cc3)C2)cc1 ZINC001200094699 1065200547 /nfs/dbraw/zinc/20/05/47/1065200547.db2.gz BXWZOJVWMXOEBG-QFIPXVFZSA-N 1 3 388.515 3.923 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902350 1067520798 /nfs/dbraw/zinc/52/07/98/1067520798.db2.gz CBHCKPJWTZOGRI-QUCCMNQESA-N 1 3 379.976 3.961 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902350 1067520803 /nfs/dbraw/zinc/52/08/03/1067520803.db2.gz CBHCKPJWTZOGRI-QUCCMNQESA-N 1 3 379.976 3.961 20 0 GHADHO CCC(CC)[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[NH+]1CCCC1 ZINC001467943978 1067539961 /nfs/dbraw/zinc/53/99/61/1067539961.db2.gz ULQVCZIXLPFEDK-NRFANRHFSA-N 1 3 378.605 3.547 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC001468048577 1067579848 /nfs/dbraw/zinc/57/98/48/1067579848.db2.gz KMNZBPGDLBOIRB-UHFFFAOYSA-N 1 3 386.584 3.688 20 0 GHADHO [NH2+]=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)Nc1cccc2c1CCCC2 ZINC000849103941 1067729163 /nfs/dbraw/zinc/72/91/63/1067729163.db2.gz HAWGOLDCVDUSTQ-NRFANRHFSA-N 1 3 392.547 3.793 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC001469136242 1067991030 /nfs/dbraw/zinc/99/10/30/1067991030.db2.gz PKVSRYDSEHJKNI-QFIPXVFZSA-N 1 3 398.595 3.666 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CCCC3)C2)CC1 ZINC001460954612 1069294833 /nfs/dbraw/zinc/29/48/33/1069294833.db2.gz ZXUKSHLWWNRPQH-HSZRJFAPSA-N 1 3 397.607 3.978 20 0 GHADHO C[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001470891149 1072795460 /nfs/dbraw/zinc/79/54/60/1072795460.db2.gz ZEEYSEAZKJASDG-NRFANRHFSA-N 1 3 397.607 3.807 20 0 GHADHO CN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001471376672 1073044171 /nfs/dbraw/zinc/04/41/71/1073044171.db2.gz OGNATWNATMNHTR-MHIUNMELSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001478984093 1079051470 /nfs/dbraw/zinc/05/14/70/1079051470.db2.gz IYPICPIRWRISPQ-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001478984093 1079051477 /nfs/dbraw/zinc/05/14/77/1079051477.db2.gz IYPICPIRWRISPQ-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)NC[C@H]1CCCN1C ZINC001478990882 1079054696 /nfs/dbraw/zinc/05/46/96/1079054696.db2.gz SQKGZQRCNGJNRX-HXUWFJFHSA-N 1 3 394.991 3.678 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C4CCOCC4)C3)cc2)CC1 ZINC001473935670 1074210174 /nfs/dbraw/zinc/21/01/74/1074210174.db2.gz BULDUVXFXZECCG-LOSJGSFVSA-N 1 3 399.623 3.899 20 0 GHADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1C(C)(C)C ZINC001474204702 1074292840 /nfs/dbraw/zinc/29/28/40/1074292840.db2.gz IWEOYOQSCZSWDM-NRFANRHFSA-N 1 3 382.548 3.849 20 0 GHADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1C(C)(C)C ZINC001474204702 1074292841 /nfs/dbraw/zinc/29/28/41/1074292841.db2.gz IWEOYOQSCZSWDM-NRFANRHFSA-N 1 3 382.548 3.849 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001474355464 1074360112 /nfs/dbraw/zinc/36/01/12/1074360112.db2.gz JYXWADMYLYDCAT-VWNXMTODSA-N 1 3 395.595 3.929 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001474355464 1074360118 /nfs/dbraw/zinc/36/01/18/1074360118.db2.gz JYXWADMYLYDCAT-VWNXMTODSA-N 1 3 395.595 3.929 20 0 GHADHO CC(C)(C[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CN1CCCC1 ZINC001474498278 1074433081 /nfs/dbraw/zinc/43/30/81/1074433081.db2.gz QQIANBVSKKFENB-YQQQUEKLSA-N 1 3 379.589 3.876 20 0 GHADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506059 1074437481 /nfs/dbraw/zinc/43/74/81/1074437481.db2.gz ZUZANMZAFVSJHX-RBBKRZOGSA-N 1 3 399.579 3.896 20 0 GHADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506059 1074437487 /nfs/dbraw/zinc/43/74/87/1074437487.db2.gz ZUZANMZAFVSJHX-RBBKRZOGSA-N 1 3 399.579 3.896 20 0 GHADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506059 1074437489 /nfs/dbraw/zinc/43/74/89/1074437489.db2.gz ZUZANMZAFVSJHX-RBBKRZOGSA-N 1 3 399.579 3.896 20 0 GHADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506059 1074437493 /nfs/dbraw/zinc/43/74/93/1074437493.db2.gz ZUZANMZAFVSJHX-RBBKRZOGSA-N 1 3 399.579 3.896 20 0 GHADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(-c4cccs4)s3)C2)[C@@H]1C(C)C ZINC001550424100 1126207142 /nfs/dbraw/zinc/20/71/42/1126207142.db2.gz XZVGCDULBPEMIA-DUPRYPCISA-N 1 3 391.606 3.831 20 0 GHADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(-c4cccs4)s3)C2)[C@@H]1C(C)C ZINC001550424100 1126207143 /nfs/dbraw/zinc/20/71/43/1126207143.db2.gz XZVGCDULBPEMIA-DUPRYPCISA-N 1 3 391.606 3.831 20 0 GHADHO C[NH+]1CCC(O)(CN[C@@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414114852 837600794 /nfs/dbraw/zinc/60/07/94/837600794.db2.gz MGNOHAZUJGRIKA-IBGZPJMESA-N 1 3 389.337 3.585 20 0 GHADHO COc1cc([C@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC(C)C ZINC000655685447 837667935 /nfs/dbraw/zinc/66/79/35/837667935.db2.gz DJVDSJMROKIVLW-PXNSSMCTSA-N 1 3 376.541 3.776 20 0 GHADHO COc1ccc(Cc2nc(C)c([C@H](C)N[C@@H]3CCC[C@H]([NH3+])C3)s2)cc1OC ZINC000423374979 837722421 /nfs/dbraw/zinc/72/24/21/837722421.db2.gz ILYLNBUOZCWRLK-RRQGHBQHSA-N 1 3 389.565 3.980 20 0 GHADHO Cc1ccc(CN2CCSCC2)cc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655744954 837803889 /nfs/dbraw/zinc/80/38/89/837803889.db2.gz YHGLLUVQKXCJGV-OAQYLSRUSA-N 1 3 389.609 3.599 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccc(NC(C)=O)cc2)CC1 ZINC000151918248 834877485 /nfs/dbraw/zinc/87/74/85/834877485.db2.gz HUPXWASENDFBBS-UHFFFAOYSA-N 1 3 394.563 3.509 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc4sccc4c3)CC2)CC1 ZINC000583703181 834897971 /nfs/dbraw/zinc/89/79/71/834897971.db2.gz POGXEXLZCXKPKN-UHFFFAOYSA-N 1 3 385.577 3.714 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812127 835073640 /nfs/dbraw/zinc/07/36/40/835073640.db2.gz RLZZTGNZWRBFPI-XJUOHMSHSA-N 1 3 385.596 3.663 20 0 GHADHO CCN(Cc1ccccc1)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001204611417 835232100 /nfs/dbraw/zinc/23/21/00/835232100.db2.gz NELKDVSVPSJNTO-UHFFFAOYSA-N 1 3 388.353 3.881 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000584108659 835649515 /nfs/dbraw/zinc/64/95/15/835649515.db2.gz NJHSPJKBHHVOKW-SYNHAJSKSA-N 1 3 394.968 3.814 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000584108659 835649520 /nfs/dbraw/zinc/64/95/20/835649520.db2.gz NJHSPJKBHHVOKW-SYNHAJSKSA-N 1 3 394.968 3.814 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657836827 835808679 /nfs/dbraw/zinc/80/86/79/835808679.db2.gz PCAPWDPMWCUQLL-KGLIPLIRSA-N 1 3 388.781 3.779 20 0 GHADHO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)cn2)n1 ZINC000548483934 844148536 /nfs/dbraw/zinc/14/85/36/844148536.db2.gz FGMSTGSAGCIAGC-REWPJTCUSA-N 1 3 389.547 3.884 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000414272978 836859247 /nfs/dbraw/zinc/85/92/47/836859247.db2.gz SLQPNFVZRLYFSC-KUWBRRTOSA-N 1 3 395.547 3.833 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000414272978 836859249 /nfs/dbraw/zinc/85/92/49/836859249.db2.gz SLQPNFVZRLYFSC-KUWBRRTOSA-N 1 3 395.547 3.833 20 0 GHADHO CCc1nc2c(s1)[C@@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCC2 ZINC000414305512 837000447 /nfs/dbraw/zinc/00/04/47/837000447.db2.gz NKTWRMLOVZEUFD-SFHVURJKSA-N 1 3 385.577 3.700 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)c1ccccc1Cl ZINC000549760296 844241536 /nfs/dbraw/zinc/24/15/36/844241536.db2.gz UOXZMRKYQBZOKC-FQEVSTJZSA-N 1 3 388.943 3.610 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC000375619493 837937454 /nfs/dbraw/zinc/93/74/54/837937454.db2.gz RYLRMOXMUYAWML-JOCHJYFZSA-N 1 3 379.539 3.964 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893967588 844294890 /nfs/dbraw/zinc/29/48/90/844294890.db2.gz PHUVISUBPMLKQF-INIZCTEOSA-N 1 3 377.520 3.587 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893967588 844294893 /nfs/dbraw/zinc/29/48/93/844294893.db2.gz PHUVISUBPMLKQF-INIZCTEOSA-N 1 3 377.520 3.587 20 0 GHADHO COc1ccc([C@H](CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)N2CCCCC2)cc1 ZINC000659288788 838220090 /nfs/dbraw/zinc/22/00/90/838220090.db2.gz RMOYIZWGWGOJRL-GOTSBHOMSA-N 1 3 393.531 3.573 20 0 GHADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000415904534 838259007 /nfs/dbraw/zinc/25/90/07/838259007.db2.gz RWXNJPGXKZWUBL-NRFANRHFSA-N 1 3 384.524 3.618 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)C[C@H]2NCc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000659319241 838278313 /nfs/dbraw/zinc/27/83/13/838278313.db2.gz LLUOWCCTWUDHIO-QMHWCDLVSA-N 1 3 377.532 3.638 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)C[C@H]2NCc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000659319241 838278321 /nfs/dbraw/zinc/27/83/21/838278321.db2.gz LLUOWCCTWUDHIO-QMHWCDLVSA-N 1 3 377.532 3.638 20 0 GHADHO C[C@@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H](c1ccccc1)N(C)C ZINC000415947882 838302046 /nfs/dbraw/zinc/30/20/46/838302046.db2.gz BJTGDTMRYYSETC-FZKQIMNGSA-N 1 3 394.441 3.977 20 0 GHADHO CCCOc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OCC ZINC000415120565 839227102 /nfs/dbraw/zinc/22/71/02/839227102.db2.gz GKLHQWNWSCLMBW-KNQAVFIVSA-N 1 3 376.541 3.592 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)cc1CN1CCCCC1 ZINC000183108470 839227635 /nfs/dbraw/zinc/22/76/35/839227635.db2.gz IPMMWCVJYXNUID-WIYYLYMNSA-N 1 3 376.541 3.527 20 0 GHADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1c(Cl)cccc1Cl ZINC000580553158 839797214 /nfs/dbraw/zinc/79/72/14/839797214.db2.gz UHQZOPCCFUVPLH-INIZCTEOSA-N 1 3 387.351 3.730 20 0 GHADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000312929668 839904803 /nfs/dbraw/zinc/90/48/03/839904803.db2.gz DUVWKIKXSUTHTQ-DFQSSKMNSA-N 1 3 381.486 3.513 20 0 GHADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000580705298 840029092 /nfs/dbraw/zinc/02/90/92/840029092.db2.gz SPQAEGHUUKLJTP-NZQKXSOJSA-N 1 3 394.559 3.842 20 0 GHADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001167433907 840150235 /nfs/dbraw/zinc/15/02/35/840150235.db2.gz OWZRTHWAPKDYQW-GOSISDBHSA-N 1 3 389.367 3.785 20 0 GHADHO COCCOCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000580797020 840191899 /nfs/dbraw/zinc/19/18/99/840191899.db2.gz NPOQVFUKDIUMBP-RDPSFJRHSA-N 1 3 382.548 3.850 20 0 GHADHO COCCOCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000580797020 840191904 /nfs/dbraw/zinc/19/19/04/840191904.db2.gz NPOQVFUKDIUMBP-RDPSFJRHSA-N 1 3 382.548 3.850 20 0 GHADHO CCCN(C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000417215714 840590656 /nfs/dbraw/zinc/59/06/56/840590656.db2.gz NUPKAQNFUCAFOB-QFIPXVFZSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417312593 840709977 /nfs/dbraw/zinc/70/99/77/840709977.db2.gz SQHKCSPMKXSSBD-DZFGPLHGSA-N 1 3 397.588 3.856 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000584742375 840714018 /nfs/dbraw/zinc/71/40/18/840714018.db2.gz VGGZHLAYSPZUIP-WIYYLYMNSA-N 1 3 383.536 3.737 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C(=O)C(C)C)cc3)CC2)CC1 ZINC000581260276 840963331 /nfs/dbraw/zinc/96/33/31/840963331.db2.gz HUDYLHPBJSGVSL-UHFFFAOYSA-N 1 3 385.552 3.660 20 0 GHADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000430584541 841254093 /nfs/dbraw/zinc/25/40/93/841254093.db2.gz ZNZJKDZEHKXAAH-SFHVURJKSA-N 1 3 397.563 3.517 20 0 GHADHO COc1cccc([C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)N2CCCC2)c1 ZINC000044291815 841279780 /nfs/dbraw/zinc/27/97/80/841279780.db2.gz GCJDQSHBBUDWOE-QFIPXVFZSA-N 1 3 396.535 3.715 20 0 GHADHO C[C@@H](NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651693086 841377636 /nfs/dbraw/zinc/37/76/36/841377636.db2.gz APNKVBPVWCYRNQ-LJQANCHMSA-N 1 3 378.564 3.958 20 0 GHADHO CC(C)Cc1ccc([C@@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000581565514 841682115 /nfs/dbraw/zinc/68/21/15/841682115.db2.gz SPFJTNNDTLGQRD-XMMPIXPASA-N 1 3 383.580 3.669 20 0 GHADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448279 842238983 /nfs/dbraw/zinc/23/89/83/842238983.db2.gz SEKFZISHBARYFL-BEFAXECRSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448279 842238988 /nfs/dbraw/zinc/23/89/88/842238988.db2.gz SEKFZISHBARYFL-BEFAXECRSA-N 1 3 381.358 3.917 20 0 GHADHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)ccc1OC(F)F ZINC000178035448 861297176 /nfs/dbraw/zinc/29/71/76/861297176.db2.gz YSAWHNRFPOARNW-JYJNAYRXSA-N 1 3 386.483 3.837 20 0 GHADHO Cc1ccc([C@H](OC[C@@H](O)CNC2CC[NH+](C(C)C)CC2)c2ccccc2)cc1 ZINC000581879523 842366190 /nfs/dbraw/zinc/36/61/90/842366190.db2.gz NDNUGAWSSMLCML-LOSJGSFVSA-N 1 3 396.575 3.924 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000276677274 842504108 /nfs/dbraw/zinc/50/41/08/842504108.db2.gz SDWKFQIICCCDFU-NSHDSACASA-N 1 3 395.263 3.575 20 0 GHADHO CC(C)n1cc([C@H](C)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000090971349 842813514 /nfs/dbraw/zinc/81/35/14/842813514.db2.gz YAGUTLDFTPBUOE-IBGZPJMESA-N 1 3 381.568 3.847 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000236839301 842889804 /nfs/dbraw/zinc/88/98/04/842889804.db2.gz IUNYLNVJDSKIAQ-UHFFFAOYSA-N 1 3 384.549 3.674 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC001167492970 843059920 /nfs/dbraw/zinc/05/99/20/843059920.db2.gz VFKDREWPWLQVGI-KMDXXIMOSA-N 1 3 393.575 3.982 20 0 GHADHO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC001167492970 843059930 /nfs/dbraw/zinc/05/99/30/843059930.db2.gz VFKDREWPWLQVGI-KMDXXIMOSA-N 1 3 393.575 3.982 20 0 GHADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC001167882196 843199213 /nfs/dbraw/zinc/19/92/13/843199213.db2.gz VZUCWLXFUGQTPD-GOSISDBHSA-N 1 3 381.511 3.575 20 0 GHADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000673705874 861430302 /nfs/dbraw/zinc/43/03/02/861430302.db2.gz CXBFILCWXHIUTD-FYYLOGMGSA-N 1 3 398.595 3.587 20 0 GHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000673705874 861430306 /nfs/dbraw/zinc/43/03/06/861430306.db2.gz CXBFILCWXHIUTD-FYYLOGMGSA-N 1 3 398.595 3.587 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512397634 843655603 /nfs/dbraw/zinc/65/56/03/843655603.db2.gz GXDZCFNAILBWLD-IRLDBZIGSA-N 1 3 388.600 3.516 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512397634 843655607 /nfs/dbraw/zinc/65/56/07/843655607.db2.gz GXDZCFNAILBWLD-IRLDBZIGSA-N 1 3 388.600 3.516 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469192 843667004 /nfs/dbraw/zinc/66/70/04/843667004.db2.gz OXYMHBJKCQZYDJ-MJGOQNOKSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469192 843667015 /nfs/dbraw/zinc/66/70/15/843667015.db2.gz OXYMHBJKCQZYDJ-MJGOQNOKSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469192 843667021 /nfs/dbraw/zinc/66/70/21/843667021.db2.gz OXYMHBJKCQZYDJ-MJGOQNOKSA-N 1 3 391.987 3.789 20 0 GHADHO CSCC[C@@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000237277105 843925317 /nfs/dbraw/zinc/92/53/17/843925317.db2.gz RDVSYLDELQCEBH-JOCHJYFZSA-N 1 3 397.588 3.646 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(F)c(COC)c2)CC1 ZINC000152045786 843940948 /nfs/dbraw/zinc/94/09/48/843940948.db2.gz ONLWGLOQLOMEMB-UHFFFAOYSA-N 1 3 385.527 3.794 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000536235465 844007706 /nfs/dbraw/zinc/00/77/06/844007706.db2.gz WYWFXOWXGSORKJ-YADHBBJMSA-N 1 3 386.584 3.585 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000536235465 844007716 /nfs/dbraw/zinc/00/77/16/844007716.db2.gz WYWFXOWXGSORKJ-YADHBBJMSA-N 1 3 386.584 3.585 20 0 GHADHO c1ncn(-c2cccc(CN[C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)n1 ZINC000512626305 844805006 /nfs/dbraw/zinc/80/50/06/844805006.db2.gz TUSCCMDOZCYPKP-OEMFJLHTSA-N 1 3 387.531 3.658 20 0 GHADHO c1ncn(-c2cccc(CN[C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)n1 ZINC000512626305 844805011 /nfs/dbraw/zinc/80/50/11/844805011.db2.gz TUSCCMDOZCYPKP-OEMFJLHTSA-N 1 3 387.531 3.658 20 0 GHADHO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1F ZINC000458287421 844811604 /nfs/dbraw/zinc/81/16/04/844811604.db2.gz KRPOHMBYJOXVIS-UHFFFAOYSA-N 1 3 385.483 3.614 20 0 GHADHO CN(CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512635144 844843901 /nfs/dbraw/zinc/84/39/01/844843901.db2.gz GCJRVEVZKZGWOR-VAMGGRTRSA-N 1 3 383.502 3.761 20 0 GHADHO c1c(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc2n1CCCC2 ZINC000512662618 844916123 /nfs/dbraw/zinc/91/61/23/844916123.db2.gz ZBJQOTPZLGOWEW-MDNUFGMLSA-N 1 3 378.564 3.652 20 0 GHADHO Cc1ccc(CNC(=O)[C@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179396987 861562891 /nfs/dbraw/zinc/56/28/91/861562891.db2.gz HUFXIDUNWKBRLX-FQEVSTJZSA-N 1 3 394.563 3.633 20 0 GHADHO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001167529341 846076748 /nfs/dbraw/zinc/07/67/48/846076748.db2.gz JEXMWKCQDQWAKY-NFBKMPQASA-N 1 3 385.596 3.773 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)cc1 ZINC000513638063 846179060 /nfs/dbraw/zinc/17/90/60/846179060.db2.gz OVUMBBOROFXRKE-UHFFFAOYSA-N 1 3 396.535 3.649 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc(C4CCCC4)s3)CC2)CC1 ZINC000421382499 846198721 /nfs/dbraw/zinc/19/87/21/846198721.db2.gz XSWILJWPSZVGFQ-UHFFFAOYSA-N 1 3 376.614 3.793 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3cnc(C4CCCC4)s3)CC2)CC1 ZINC000421382499 846198724 /nfs/dbraw/zinc/19/87/24/846198724.db2.gz XSWILJWPSZVGFQ-UHFFFAOYSA-N 1 3 376.614 3.793 20 0 GHADHO Cc1ccc2cc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)ccc2n1 ZINC000414526589 846305559 /nfs/dbraw/zinc/30/55/59/846305559.db2.gz PJAXVUCFCKPCLV-UHFFFAOYSA-N 1 3 375.516 3.660 20 0 GHADHO c1cc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)n(-c2ccncc2)n1 ZINC000657337490 846334079 /nfs/dbraw/zinc/33/40/79/846334079.db2.gz XAJAZQBXDVWKQL-UHFFFAOYSA-N 1 3 375.520 3.933 20 0 GHADHO COc1ccc2oc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)cc2c1 ZINC000414545194 846471111 /nfs/dbraw/zinc/47/11/11/846471111.db2.gz DRDPESUEJMXMQK-UHFFFAOYSA-N 1 3 380.488 3.558 20 0 GHADHO OC1(C[NH2+]Cc2cnc(-c3ccsc3)s2)CCN(Cc2ccccc2)CC1 ZINC000414549879 846544969 /nfs/dbraw/zinc/54/49/69/846544969.db2.gz MPKRVFIULSNESP-UHFFFAOYSA-N 1 3 399.585 3.988 20 0 GHADHO Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501031828 846549047 /nfs/dbraw/zinc/54/90/47/846549047.db2.gz ZYZREIWKXYHONA-LJQANCHMSA-N 1 3 380.536 3.874 20 0 GHADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1C(F)(F)F ZINC000414426589 846795651 /nfs/dbraw/zinc/79/56/51/846795651.db2.gz HRVOPHLZVYMHEQ-IBGZPJMESA-N 1 3 378.438 3.870 20 0 GHADHO Cc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1C(F)(F)F ZINC000414426589 846795661 /nfs/dbraw/zinc/79/56/61/846795661.db2.gz HRVOPHLZVYMHEQ-IBGZPJMESA-N 1 3 378.438 3.870 20 0 GHADHO C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000501384163 846893823 /nfs/dbraw/zinc/89/38/23/846893823.db2.gz BXFLPMZDGMXMET-MOPGFXCFSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@H]1C[NH+](CCCCNCc2c(F)ccc(Br)c2F)C[C@H](C)O1 ZINC000501432161 846925752 /nfs/dbraw/zinc/92/57/52/846925752.db2.gz CVGWMQMWSSCIOT-STQMWFEESA-N 1 3 391.300 3.706 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1)c1cccc2ccccc21 ZINC000420336497 847116929 /nfs/dbraw/zinc/11/69/29/847116929.db2.gz ISFOQHLADLKTQV-IUKKYPGJSA-N 1 3 379.548 3.870 20 0 GHADHO O=C(CN1CCC[C@@H]1Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000501837253 847268905 /nfs/dbraw/zinc/26/89/05/847268905.db2.gz ORHPJBVIVIAFPM-XMMPIXPASA-N 1 3 391.559 3.606 20 0 GHADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733406 847788510 /nfs/dbraw/zinc/78/85/10/847788510.db2.gz QXYUMTUJSZMFAT-DQLDELGASA-N 1 3 391.481 3.828 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733406 847788519 /nfs/dbraw/zinc/78/85/19/847788519.db2.gz QXYUMTUJSZMFAT-DQLDELGASA-N 1 3 391.481 3.828 20 0 GHADHO FC(F)(F)COc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800955 847828736 /nfs/dbraw/zinc/82/87/36/847828736.db2.gz DINCUBBIASBQHZ-UYAOXDASSA-N 1 3 392.421 3.973 20 0 GHADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422788551 847837175 /nfs/dbraw/zinc/83/71/75/847837175.db2.gz AXBZQHBOYRIIFO-NFBKMPQASA-N 1 3 379.504 3.627 20 0 GHADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422878367 847865663 /nfs/dbraw/zinc/86/56/63/847865663.db2.gz JAKLLNONWZBABT-KNQAVFIVSA-N 1 3 381.520 3.701 20 0 GHADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000422886096 847869787 /nfs/dbraw/zinc/86/97/87/847869787.db2.gz WAYHVMAPJSAKAL-QYZOEREBSA-N 1 3 375.969 3.970 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422899621 847879008 /nfs/dbraw/zinc/87/90/08/847879008.db2.gz HXILHECNICELJH-MUIFIZLQSA-N 1 3 387.351 3.634 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCCc4cccnc43)CC2)c1 ZINC000684954769 847883981 /nfs/dbraw/zinc/88/39/81/847883981.db2.gz YZXWQJHPPJTZFI-QHCPKHFHSA-N 1 3 378.564 3.959 20 0 GHADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1C(F)(F)F ZINC000422919422 847903095 /nfs/dbraw/zinc/90/30/95/847903095.db2.gz JUTUQSTZSWWPIW-XYVMCAHJSA-N 1 3 386.458 3.610 20 0 GHADHO C[C@@H](CCCC[NH3+])N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000422920263 847903251 /nfs/dbraw/zinc/90/32/51/847903251.db2.gz MCJNBFLXNDITJD-VBKZILBWSA-N 1 3 396.503 3.565 20 0 GHADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Sc1ccc(Br)cc1 ZINC000422961573 847905051 /nfs/dbraw/zinc/90/50/51/847905051.db2.gz ZGSVLTROWRPUAL-NKGKWGDASA-N 1 3 399.398 3.676 20 0 GHADHO COC[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000422946837 847910449 /nfs/dbraw/zinc/91/04/49/847910449.db2.gz PJRVLABXVUMDCW-RTBURBONSA-N 1 3 377.326 3.882 20 0 GHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2Nc1cccc(CN2CCSCC2)c1 ZINC000422957895 847915462 /nfs/dbraw/zinc/91/54/62/847915462.db2.gz VVQQTXSPGAAPPJ-GMAHTHKFSA-N 1 3 395.572 3.903 20 0 GHADHO C[C@H]([NH2+]C1(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CCCC1)c1ccccc1 ZINC000503726813 847925333 /nfs/dbraw/zinc/92/53/33/847925333.db2.gz MFZHRQSCJZQRBR-RXVVDRJESA-N 1 3 384.568 3.528 20 0 GHADHO Brc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cs1 ZINC000657611646 848325132 /nfs/dbraw/zinc/32/51/32/848325132.db2.gz AYKOOTNWUWINAC-UHFFFAOYSA-N 1 3 380.355 3.907 20 0 GHADHO CC1(C)C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN1Cc1ccccc1 ZINC000657613486 848326796 /nfs/dbraw/zinc/32/67/96/848326796.db2.gz LHAVMTDZPULLFG-DEOSSOPVSA-N 1 3 392.591 3.936 20 0 GHADHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3nc4ccccc4n3C)cc2)CC1 ZINC000180022674 861909784 /nfs/dbraw/zinc/90/97/84/861909784.db2.gz TTYOURUSUWJAOI-IBGZPJMESA-N 1 3 391.563 3.562 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000673848513 861956088 /nfs/dbraw/zinc/95/60/88/861956088.db2.gz VORGHFYFQZCNTH-LJQANCHMSA-N 1 3 380.536 3.877 20 0 GHADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226661 848908481 /nfs/dbraw/zinc/90/84/81/848908481.db2.gz CFTMQDAGKMRWJZ-XKCSPQBFSA-N 1 3 398.595 3.555 20 0 GHADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511226661 848908492 /nfs/dbraw/zinc/90/84/92/848908492.db2.gz CFTMQDAGKMRWJZ-XKCSPQBFSA-N 1 3 398.595 3.555 20 0 GHADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226659 848908596 /nfs/dbraw/zinc/90/85/96/848908596.db2.gz CFTMQDAGKMRWJZ-RRPUWOKSSA-N 1 3 398.595 3.555 20 0 GHADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511226659 848908605 /nfs/dbraw/zinc/90/86/05/848908605.db2.gz CFTMQDAGKMRWJZ-RRPUWOKSSA-N 1 3 398.595 3.555 20 0 GHADHO COC[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000423578506 849987266 /nfs/dbraw/zinc/98/72/66/849987266.db2.gz UQZQRKDCVVAGMI-OAQYLSRUSA-N 1 3 387.955 3.611 20 0 GHADHO C[C@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000423632873 850000164 /nfs/dbraw/zinc/00/01/64/850000164.db2.gz AIFYGHRMOQCHAM-HNNXBMFYSA-N 1 3 393.453 3.929 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000514661683 850122027 /nfs/dbraw/zinc/12/20/27/850122027.db2.gz LBJAKDDSOWIMRQ-QGZVFWFLSA-N 1 3 394.519 3.516 20 0 GHADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000424243019 850329643 /nfs/dbraw/zinc/32/96/43/850329643.db2.gz PDJSAODUHFUJGM-HXUWFJFHSA-N 1 3 391.437 3.847 20 0 GHADHO C[C@@H]1CC2(CN1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)CC[NH2+]CC2 ZINC000424301630 850341632 /nfs/dbraw/zinc/34/16/32/850341632.db2.gz XWNGRXAEIWKGRY-VGSWGCGISA-N 1 3 387.543 3.637 20 0 GHADHO C[C@H]1CC2(CN1Cc1cc3c(cc1Br)OCCCO3)CC[NH2+]CC2 ZINC000424302570 850342754 /nfs/dbraw/zinc/34/27/54/850342754.db2.gz ZXMPIJBXPDURJP-AWEZNQCLSA-N 1 3 395.341 3.574 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000514838346 850348928 /nfs/dbraw/zinc/34/89/28/850348928.db2.gz OOMKZXVEOQEBCJ-LDBYXDLTSA-N 1 3 398.513 3.888 20 0 GHADHO C[C@H]1CC2(CN1CC(=O)N1c3ccccc3CCc3ccccc31)CC[NH2+]CC2 ZINC000424283135 850353757 /nfs/dbraw/zinc/35/37/57/850353757.db2.gz AVBHCNCZCDEACS-IBGZPJMESA-N 1 3 389.543 3.914 20 0 GHADHO [NH3+]CCCOC1CCN(Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000435388560 850455073 /nfs/dbraw/zinc/45/50/73/850455073.db2.gz GLLPMNYMNPWIFB-UHFFFAOYSA-N 1 3 382.552 3.555 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426443 850508660 /nfs/dbraw/zinc/50/86/60/850508660.db2.gz IBOLAJKOUOIMBB-OAQYLSRUSA-N 1 3 393.560 3.782 20 0 GHADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1Cl ZINC000439965240 850614100 /nfs/dbraw/zinc/61/41/00/850614100.db2.gz FNEAKMVGJWUSJA-SFHVURJKSA-N 1 3 379.932 3.626 20 0 GHADHO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](N)CC(F)F ZINC000498213368 850778451 /nfs/dbraw/zinc/77/84/51/850778451.db2.gz YAOLRXVYMMQHMN-HNNXBMFYSA-N 1 3 396.309 3.646 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccsc1 ZINC000487862984 850940477 /nfs/dbraw/zinc/94/04/77/850940477.db2.gz VEWPXBVKJIIQJG-FXAWDEMLSA-N 1 3 392.613 3.647 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccsc1 ZINC000487862984 850940488 /nfs/dbraw/zinc/94/04/88/850940488.db2.gz VEWPXBVKJIIQJG-FXAWDEMLSA-N 1 3 392.613 3.647 20 0 GHADHO COc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CCOCC2)cc1 ZINC001167974866 851706799 /nfs/dbraw/zinc/70/67/99/851706799.db2.gz COWJEGAZGBPSKC-FRIKZZABSA-N 1 3 384.564 3.782 20 0 GHADHO C[C@@H]1C[C@H](NCc2cccc(N3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000550227638 852054011 /nfs/dbraw/zinc/05/40/11/852054011.db2.gz JDOQVAASKVLKSV-NFBKMPQASA-N 1 3 379.548 3.666 20 0 GHADHO C[C@@H]1C[C@H](NCc2cccc(N3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000550227638 852054020 /nfs/dbraw/zinc/05/40/20/852054020.db2.gz JDOQVAASKVLKSV-NFBKMPQASA-N 1 3 379.548 3.666 20 0 GHADHO CN(C)C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000458855661 852239210 /nfs/dbraw/zinc/23/92/10/852239210.db2.gz QTIJAUCJMQCIKG-IBGZPJMESA-N 1 3 380.964 3.508 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCCc3cc(N)ccc32)CC1 ZINC000414938190 852649383 /nfs/dbraw/zinc/64/93/83/852649383.db2.gz WEGUOLUXAAAGNR-HSZRJFAPSA-N 1 3 378.564 3.968 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490702962 853201766 /nfs/dbraw/zinc/20/17/66/853201766.db2.gz WAJMTPYMHVWOMV-SQJMNOBHSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490702962 853201767 /nfs/dbraw/zinc/20/17/67/853201767.db2.gz WAJMTPYMHVWOMV-SQJMNOBHSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490963905 853374618 /nfs/dbraw/zinc/37/46/18/853374618.db2.gz IMQURMMCRLIKJU-BWKNWUBXSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490963905 853374620 /nfs/dbraw/zinc/37/46/20/853374620.db2.gz IMQURMMCRLIKJU-BWKNWUBXSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H]1C[C@H](N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC[N@@H+]1C ZINC000426317662 853433634 /nfs/dbraw/zinc/43/36/34/853433634.db2.gz FRFJADRHQZURIL-DCSJCSGWSA-N 1 3 384.495 3.649 20 0 GHADHO C[C@@H]1C[C@H](N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000426317662 853433639 /nfs/dbraw/zinc/43/36/39/853433639.db2.gz FRFJADRHQZURIL-DCSJCSGWSA-N 1 3 384.495 3.649 20 0 GHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754595 853463712 /nfs/dbraw/zinc/46/37/12/853463712.db2.gz WRXNIFSDMAASRD-QZTJIDSGSA-N 1 3 385.577 3.952 20 0 GHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754595 853463714 /nfs/dbraw/zinc/46/37/14/853463714.db2.gz WRXNIFSDMAASRD-QZTJIDSGSA-N 1 3 385.577 3.952 20 0 GHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754595 853463718 /nfs/dbraw/zinc/46/37/18/853463718.db2.gz WRXNIFSDMAASRD-QZTJIDSGSA-N 1 3 385.577 3.952 20 0 GHADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000458877159 854338539 /nfs/dbraw/zinc/33/85/39/854338539.db2.gz BDBXOCULOPOPSF-HXUWFJFHSA-N 1 3 392.613 3.527 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccsc1 ZINC000669279360 854353829 /nfs/dbraw/zinc/35/38/29/854353829.db2.gz CACWKRDVIZIFBU-NLWGTHIKSA-N 1 3 392.613 3.552 20 0 GHADHO COc1ccc([C@H]2C[C@H](N3CCC([NH3+])(Cc4ccccc4)CC3)CCO2)cc1 ZINC001168618441 855126948 /nfs/dbraw/zinc/12/69/48/855126948.db2.gz SIVOEKKZMQNCBZ-FYYLOGMGSA-N 1 3 380.532 3.951 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(OCCO)CCC(F)(F)CC3)CC2)C1 ZINC000624102043 862652269 /nfs/dbraw/zinc/65/22/69/862652269.db2.gz IXAVQCZPQQRIPH-MJGOQNOKSA-N 1 3 388.543 3.576 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000485219423 856231012 /nfs/dbraw/zinc/23/10/12/856231012.db2.gz ONQRHWVYXHBJAH-KIHHCIJBSA-N 1 3 390.575 3.941 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H](C)CC[C@H]3C(C)C)CC2)CC1 ZINC000573502755 856263763 /nfs/dbraw/zinc/26/37/63/856263763.db2.gz DSDLMLJGPQIGTC-BVYCBKJFSA-N 1 3 377.617 3.760 20 0 GHADHO COC[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1F ZINC000658070153 856383967 /nfs/dbraw/zinc/38/39/67/856383967.db2.gz MYJSWADPWQQVTP-IBGZPJMESA-N 1 3 384.923 3.647 20 0 GHADHO C[C@H](c1ccccc1Cl)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984088 856690723 /nfs/dbraw/zinc/69/07/23/856690723.db2.gz DPKOCDQYBBOEGK-MRXNPFEDSA-N 1 3 379.976 3.817 20 0 GHADHO COc1ccc(C[C@H](C)C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1F ZINC000668511181 856736815 /nfs/dbraw/zinc/73/68/15/856736815.db2.gz CWFANFWFLWWENI-SFHVURJKSA-N 1 3 385.527 3.910 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCCC2 ZINC000499502089 857017735 /nfs/dbraw/zinc/01/77/35/857017735.db2.gz XBCVTAMAYNCPNS-GOSISDBHSA-N 1 3 377.598 3.505 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000181407656 862865310 /nfs/dbraw/zinc/86/53/10/862865310.db2.gz PUDKXLIISIOJFW-MRXNPFEDSA-N 1 3 388.474 3.589 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000181407656 862865328 /nfs/dbraw/zinc/86/53/28/862865328.db2.gz PUDKXLIISIOJFW-MRXNPFEDSA-N 1 3 388.474 3.589 20 0 GHADHO Cc1cc(C)c(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c(C)c1 ZINC000076331167 857114163 /nfs/dbraw/zinc/11/41/63/857114163.db2.gz MXXWFHKBUIMSEZ-UHFFFAOYSA-N 1 3 379.548 3.727 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2cccc(F)c2c1C ZINC000499518566 857128462 /nfs/dbraw/zinc/12/84/62/857128462.db2.gz IAHDELMYQHLLST-MRXNPFEDSA-N 1 3 391.556 3.837 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000520935868 857419698 /nfs/dbraw/zinc/41/96/98/857419698.db2.gz QGBVWVZGMWJOAC-HXUWFJFHSA-N 1 3 378.605 3.549 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000520935868 857419713 /nfs/dbraw/zinc/41/97/13/857419713.db2.gz QGBVWVZGMWJOAC-HXUWFJFHSA-N 1 3 378.605 3.549 20 0 GHADHO CC(C)(CNC(=O)c1cccc(C[NH+]2CCCC2)c1)N1CCc2ccccc2C1 ZINC000063915378 857672636 /nfs/dbraw/zinc/67/26/36/857672636.db2.gz DVKWMZFLAUJMPZ-UHFFFAOYSA-N 1 3 391.559 3.849 20 0 GHADHO CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000676310091 857813986 /nfs/dbraw/zinc/81/39/86/857813986.db2.gz NILHIXWXIYQJGP-GOSISDBHSA-N 1 3 387.616 3.676 20 0 GHADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000665285351 857901787 /nfs/dbraw/zinc/90/17/87/857901787.db2.gz KRGMMVZIYLPFKH-LBPRGKRZSA-N 1 3 390.330 3.774 20 0 GHADHO COCCC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC000442719634 858089905 /nfs/dbraw/zinc/08/99/05/858089905.db2.gz RQZMWSOGPMTDOG-DEOSSOPVSA-N 1 3 399.554 3.831 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142756 858298268 /nfs/dbraw/zinc/29/82/68/858298268.db2.gz YURRUGAUTHUQQF-CEWLAPEOSA-N 1 3 398.551 3.625 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142756 858298278 /nfs/dbraw/zinc/29/82/78/858298278.db2.gz YURRUGAUTHUQQF-CEWLAPEOSA-N 1 3 398.551 3.625 20 0 GHADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000443061351 858330046 /nfs/dbraw/zinc/33/00/46/858330046.db2.gz RHMSPNIOGIHLII-KBXCAEBGSA-N 1 3 384.351 3.718 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCc2ccnn2-c2cc[nH+]cc2)c2ccccc21 ZINC000594944756 858341524 /nfs/dbraw/zinc/34/15/24/858341524.db2.gz BTQWYZLTTYZMRZ-NHCUHLMSSA-N 1 3 390.487 3.927 20 0 GHADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000443077994 858352951 /nfs/dbraw/zinc/35/29/51/858352951.db2.gz VTIJXLREAOFMEH-HTAPYJJXSA-N 1 3 385.939 3.606 20 0 GHADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000171056983 863021987 /nfs/dbraw/zinc/02/19/87/863021987.db2.gz LJUPUZZEPHEQRK-JOCHJYFZSA-N 1 3 386.584 3.648 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000067383128 858546662 /nfs/dbraw/zinc/54/66/62/858546662.db2.gz CRSANNKQAZPTER-HSZRJFAPSA-N 1 3 394.563 3.554 20 0 GHADHO CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900573 858711891 /nfs/dbraw/zinc/71/18/91/858711891.db2.gz HCPCDWLNWNJCQY-LJQANCHMSA-N 1 3 397.519 3.730 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466210515 858725461 /nfs/dbraw/zinc/72/54/61/858725461.db2.gz MQKABDJDZNIYAP-RZUBCFFCSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466210515 858725474 /nfs/dbraw/zinc/72/54/74/858725474.db2.gz MQKABDJDZNIYAP-RZUBCFFCSA-N 1 3 386.584 3.603 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1ccco1 ZINC000509616923 858812321 /nfs/dbraw/zinc/81/23/21/858812321.db2.gz YAOLFFJGUNHAPG-JYAXBFRTSA-N 1 3 398.551 3.671 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccco1 ZINC000509616923 858812325 /nfs/dbraw/zinc/81/23/25/858812325.db2.gz YAOLFFJGUNHAPG-JYAXBFRTSA-N 1 3 398.551 3.671 20 0 GHADHO COc1cccc(C[C@H](CO)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168020734 858852373 /nfs/dbraw/zinc/85/23/73/858852373.db2.gz NKETWLSGBHGYIQ-IYRWYFENSA-N 1 3 382.548 3.630 20 0 GHADHO COc1cccc(C[C@H](CO)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168020734 858852388 /nfs/dbraw/zinc/85/23/88/858852388.db2.gz NKETWLSGBHGYIQ-IYRWYFENSA-N 1 3 382.548 3.630 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cl)cc1-n1cncn1 ZINC000482843549 858912633 /nfs/dbraw/zinc/91/26/33/858912633.db2.gz NTBWMCHDKBSAFW-LAUBAEHRSA-N 1 3 395.938 3.921 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cl)cc1-n1cncn1 ZINC000482843549 858912640 /nfs/dbraw/zinc/91/26/40/858912640.db2.gz NTBWMCHDKBSAFW-LAUBAEHRSA-N 1 3 395.938 3.921 20 0 GHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765976299 858982899 /nfs/dbraw/zinc/98/28/99/858982899.db2.gz MQMLLPKWFYDUBP-BEFAXECRSA-N 1 3 386.565 3.808 20 0 GHADHO C[C@@H]1CC(NC[C@@]2(O)CCOc3ccccc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023356 859087146 /nfs/dbraw/zinc/08/71/46/859087146.db2.gz VTBDNWQSYGQMPW-IECBHUPTSA-N 1 3 380.532 3.688 20 0 GHADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185769656 859128139 /nfs/dbraw/zinc/12/81/39/859128139.db2.gz VGDZKLMLBUBUDA-YQVWRLOYSA-N 1 3 380.960 3.631 20 0 GHADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185769656 859128144 /nfs/dbraw/zinc/12/81/44/859128144.db2.gz VGDZKLMLBUBUDA-YQVWRLOYSA-N 1 3 380.960 3.631 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)C1 ZINC000429443457 859383103 /nfs/dbraw/zinc/38/31/03/859383103.db2.gz CYWWSMNDEKLASP-NQHRYMMQSA-N 1 3 399.623 3.910 20 0 GHADHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1-n1cncn1 ZINC000509448362 859463906 /nfs/dbraw/zinc/46/39/06/859463906.db2.gz MXMTUQBGALVMFN-HSZRJFAPSA-N 1 3 389.547 3.966 20 0 GHADHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1-n1cncn1 ZINC000509448362 859463907 /nfs/dbraw/zinc/46/39/07/859463907.db2.gz MXMTUQBGALVMFN-HSZRJFAPSA-N 1 3 389.547 3.966 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1ccsc1 ZINC000483728046 859582149 /nfs/dbraw/zinc/58/21/49/859582149.db2.gz OQYVSBXAJGSYCM-NZSAHSFTSA-N 1 3 380.602 3.645 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccsc1 ZINC000483728046 859582154 /nfs/dbraw/zinc/58/21/54/859582154.db2.gz OQYVSBXAJGSYCM-NZSAHSFTSA-N 1 3 380.602 3.645 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000483766940 859607093 /nfs/dbraw/zinc/60/70/93/859607093.db2.gz UYWVCQVRQJWMAL-RXVVDRJESA-N 1 3 384.568 3.528 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000484288118 859925342 /nfs/dbraw/zinc/92/53/42/859925342.db2.gz HQTFWHFCARQXLI-LMNJBCLMSA-N 1 3 379.976 3.645 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000484288118 859925350 /nfs/dbraw/zinc/92/53/50/859925350.db2.gz HQTFWHFCARQXLI-LMNJBCLMSA-N 1 3 379.976 3.645 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccc(Cl)cc1 ZINC000509052996 860700022 /nfs/dbraw/zinc/70/00/22/860700022.db2.gz SFVXQOMJJVWGNI-FQEVSTJZSA-N 1 3 394.991 3.895 20 0 GHADHO CSC1(CNCc2ccc(Br)c(F)c2F)CC[NH+](C)CC1 ZINC000598973736 860708748 /nfs/dbraw/zinc/70/87/48/860708748.db2.gz JBTDUDGIAVXONO-UHFFFAOYSA-N 1 3 379.314 3.644 20 0 GHADHO CC(=O)Nc1cccc(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856600892 881576108 /nfs/dbraw/zinc/57/61/08/881576108.db2.gz YMCKFMCQDVTDKV-QHCPKHFHSA-N 1 3 396.535 3.534 20 0 GHADHO CC(=O)Nc1cccc(CN2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856600892 881576127 /nfs/dbraw/zinc/57/61/27/881576127.db2.gz YMCKFMCQDVTDKV-QHCPKHFHSA-N 1 3 396.535 3.534 20 0 GHADHO CN1CCC(CNCc2c(F)cccc2Br)([NH+]2CCCCC2)CC1 ZINC000474796415 860784702 /nfs/dbraw/zinc/78/47/02/860784702.db2.gz UZFBDXSFZXZFJJ-UHFFFAOYSA-N 1 3 398.364 3.628 20 0 GHADHO C[NH+]1CCC(CNCc2c(F)cccc2Br)(N2CCCCC2)CC1 ZINC000474796415 860784707 /nfs/dbraw/zinc/78/47/07/860784707.db2.gz UZFBDXSFZXZFJJ-UHFFFAOYSA-N 1 3 398.364 3.628 20 0 GHADHO CN1CC[C@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1(C)C ZINC000623527010 861159922 /nfs/dbraw/zinc/15/99/22/861159922.db2.gz CXEXJXWZLNUIGR-HNNXBMFYSA-N 1 3 382.430 3.804 20 0 GHADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)Nc1ccc2c(c1)CNC2 ZINC000557051157 881635159 /nfs/dbraw/zinc/63/51/59/881635159.db2.gz AOXXUWZYKILAAJ-UHFFFAOYSA-N 1 3 378.520 3.988 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000482529259 863259737 /nfs/dbraw/zinc/25/97/37/863259737.db2.gz BBSMFYOQCISOKP-SIKLNZKXSA-N 1 3 395.547 3.504 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000482556558 863308082 /nfs/dbraw/zinc/30/80/82/863308082.db2.gz NPYDENRILIQZLI-DHIUTWEWSA-N 1 3 379.548 3.538 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000482556558 863308094 /nfs/dbraw/zinc/30/80/94/863308094.db2.gz NPYDENRILIQZLI-DHIUTWEWSA-N 1 3 379.548 3.538 20 0 GHADHO C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000482618043 863389436 /nfs/dbraw/zinc/38/94/36/863389436.db2.gz FPLFWLDODREZFJ-HXUWFJFHSA-N 1 3 397.607 3.853 20 0 GHADHO O[C@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000606902939 863926544 /nfs/dbraw/zinc/92/65/44/863926544.db2.gz GVIVURWYTMCDCD-VQTJNVASSA-N 1 3 377.532 3.573 20 0 GHADHO COc1cc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)cc(OC)c1O ZINC000621391475 864130481 /nfs/dbraw/zinc/13/04/81/864130481.db2.gz GUUAETZLXMEPQM-UHFFFAOYSA-N 1 3 376.541 3.729 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000475127668 864266909 /nfs/dbraw/zinc/26/69/09/864266909.db2.gz DHNJGMSBCABKMR-DHIUTWEWSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000475127668 864266921 /nfs/dbraw/zinc/26/69/21/864266921.db2.gz DHNJGMSBCABKMR-DHIUTWEWSA-N 1 3 394.563 3.514 20 0 GHADHO CN(C)C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000554443918 864356320 /nfs/dbraw/zinc/35/63/20/864356320.db2.gz VNRDMKILFJHVEC-FCHUYYIVSA-N 1 3 398.526 3.565 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC(NC(=O)N3CCCC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056957 864362830 /nfs/dbraw/zinc/36/28/30/864362830.db2.gz KPPYNPDWFGPLTA-JHDGKUDLSA-N 1 3 398.595 3.698 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC(NC(=O)N3CCCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056957 864362839 /nfs/dbraw/zinc/36/28/39/864362839.db2.gz KPPYNPDWFGPLTA-JHDGKUDLSA-N 1 3 398.595 3.698 20 0 GHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000159245259 864441014 /nfs/dbraw/zinc/44/10/14/864441014.db2.gz PMYWTWSVEBVNGB-QDSKXPNFSA-N 1 3 384.612 3.926 20 0 GHADHO CC[N@H+](CCCN(C)C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000554884476 865114412 /nfs/dbraw/zinc/11/44/12/865114412.db2.gz SBUHOBDNUSDPQA-UHFFFAOYSA-N 1 3 377.536 3.767 20 0 GHADHO CC[N@@H+](CCCN(C)C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000554884476 865114419 /nfs/dbraw/zinc/11/44/19/865114419.db2.gz SBUHOBDNUSDPQA-UHFFFAOYSA-N 1 3 377.536 3.767 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000480778770 865250309 /nfs/dbraw/zinc/25/03/09/865250309.db2.gz KZOQSJHATBZMMU-KRWDZBQOSA-N 1 3 389.565 3.749 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000480778770 865250320 /nfs/dbraw/zinc/25/03/20/865250320.db2.gz KZOQSJHATBZMMU-KRWDZBQOSA-N 1 3 389.565 3.749 20 0 GHADHO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000480898321 865485568 /nfs/dbraw/zinc/48/55/68/865485568.db2.gz MMKVVJPXORDNNS-UUOWRZLLSA-N 1 3 381.539 3.986 20 0 GHADHO Cc1ccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c(CN(C)C)c1 ZINC000172132860 865499582 /nfs/dbraw/zinc/49/95/82/865499582.db2.gz NKYDSDDLFBKIQU-UHFFFAOYSA-N 1 3 394.563 3.839 20 0 GHADHO C[NH+](C)CC1CCN(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000480967152 865588083 /nfs/dbraw/zinc/58/80/83/865588083.db2.gz RCELKOGNFXIFOG-UHFFFAOYSA-N 1 3 393.531 3.520 20 0 GHADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC(C(C)(C)C)CC1 ZINC000622946676 865837192 /nfs/dbraw/zinc/83/71/92/865837192.db2.gz ZAEZTNWCMBXVNY-UHFFFAOYSA-N 1 3 392.632 3.791 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000121086121 881914152 /nfs/dbraw/zinc/91/41/52/881914152.db2.gz RYOPETLDBLBMEQ-LJQANCHMSA-N 1 3 390.535 3.745 20 0 GHADHO Cc1cccc(COc2c(C)cc(C[NH2+]CC3(O)CCN(C)CC3)cc2C)c1 ZINC000740898869 866089392 /nfs/dbraw/zinc/08/93/92/866089392.db2.gz CYZHRJJDZBECTB-UHFFFAOYSA-N 1 3 382.548 3.737 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000667850030 866096525 /nfs/dbraw/zinc/09/65/25/866096525.db2.gz YGBZUQVKTQGYBN-WTIAFYNJSA-N 1 3 390.531 3.712 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000667850030 866096540 /nfs/dbraw/zinc/09/65/40/866096540.db2.gz YGBZUQVKTQGYBN-WTIAFYNJSA-N 1 3 390.531 3.712 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000456326204 866444691 /nfs/dbraw/zinc/44/46/91/866444691.db2.gz GJRVSJXXEVXUBP-NRFANRHFSA-N 1 3 391.559 3.877 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)N(C)C)cc1 ZINC000534282688 866462736 /nfs/dbraw/zinc/46/27/36/866462736.db2.gz DHBRPNKFWFZVTI-QFIPXVFZSA-N 1 3 386.584 3.552 20 0 GHADHO C[C@@H]1CN(Cc2cccc(CNC3CC[NH+](C4CCCCC4)CC3)c2)CCO1 ZINC000153456535 866488907 /nfs/dbraw/zinc/48/89/07/866488907.db2.gz YGKZGMFACVZSHS-HXUWFJFHSA-N 1 3 385.596 3.794 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@H]3CC3CCC3)CC2)CC1 ZINC000620569191 866867262 /nfs/dbraw/zinc/86/72/62/866867262.db2.gz QWFVHNUXKQWQEX-QFIPXVFZSA-N 1 3 375.601 3.754 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000154306960 867346503 /nfs/dbraw/zinc/34/65/03/867346503.db2.gz COTSSXSTQCEISC-CQSZACIVSA-N 1 3 375.891 3.620 20 0 GHADHO CN(C)C[C@H](NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258898 882151151 /nfs/dbraw/zinc/15/11/51/882151151.db2.gz IYVQQRSNEUFVPZ-UNMCSNQZSA-N 1 3 383.511 3.668 20 0 GHADHO CN(C)C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258898 882151162 /nfs/dbraw/zinc/15/11/62/882151162.db2.gz IYVQQRSNEUFVPZ-UNMCSNQZSA-N 1 3 383.511 3.668 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000523880115 868224929 /nfs/dbraw/zinc/22/49/29/868224929.db2.gz QQDIUWGSUZDBFA-PKTZIBPZSA-N 1 3 398.595 3.571 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)N(C)C)cc1 ZINC000523902539 868252601 /nfs/dbraw/zinc/25/26/01/868252601.db2.gz NBHVXDAYPWAZIN-PMOQBDJRSA-N 1 3 394.563 3.732 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)N(C)C)cc1 ZINC000523902539 868252614 /nfs/dbraw/zinc/25/26/14/868252614.db2.gz NBHVXDAYPWAZIN-PMOQBDJRSA-N 1 3 394.563 3.732 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000156195091 868282579 /nfs/dbraw/zinc/28/25/79/868282579.db2.gz ICEKFEZEVSSJMS-OALUTQOASA-N 1 3 390.535 3.888 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000156195091 868282587 /nfs/dbraw/zinc/28/25/87/868282587.db2.gz ICEKFEZEVSSJMS-OALUTQOASA-N 1 3 390.535 3.888 20 0 GHADHO Cc1cccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1C ZINC000156897088 868494961 /nfs/dbraw/zinc/49/49/61/868494961.db2.gz UYIBRSPJGONKMK-KNQAVFIVSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1cccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1C ZINC000156897088 868494967 /nfs/dbraw/zinc/49/49/67/868494967.db2.gz UYIBRSPJGONKMK-KNQAVFIVSA-N 1 3 379.548 3.852 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC5(CCSCC5)C4)[C@H]3C2)cc1 ZINC000272611439 868511806 /nfs/dbraw/zinc/51/18/06/868511806.db2.gz WIRPPEWGGVDVLH-LRSLUSHPSA-N 1 3 386.605 3.931 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccco1 ZINC000479790044 868528302 /nfs/dbraw/zinc/52/83/02/868528302.db2.gz QNOWVJPBDTVABP-CEWLAPEOSA-N 1 3 398.551 3.845 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1cccs1)N1CCOCC1 ZINC000479856852 868608135 /nfs/dbraw/zinc/60/81/35/868608135.db2.gz ZYFZTVHXGJOMQJ-FCEUIQTBSA-N 1 3 399.604 3.622 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1cccs1)N1CCOCC1 ZINC000479856852 868608141 /nfs/dbraw/zinc/60/81/41/868608141.db2.gz ZYFZTVHXGJOMQJ-FCEUIQTBSA-N 1 3 399.604 3.622 20 0 GHADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000479875451 868641402 /nfs/dbraw/zinc/64/14/02/868641402.db2.gz QQFBTRHRZZHVGY-VJBMBRPKSA-N 1 3 381.564 3.798 20 0 GHADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000479875451 868641409 /nfs/dbraw/zinc/64/14/09/868641409.db2.gz QQFBTRHRZZHVGY-VJBMBRPKSA-N 1 3 381.564 3.798 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880668 868651146 /nfs/dbraw/zinc/65/11/46/868651146.db2.gz GOLOMQDUGSOPSH-OFVILXPXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000479880668 868651157 /nfs/dbraw/zinc/65/11/57/868651157.db2.gz GOLOMQDUGSOPSH-OFVILXPXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000479880668 868651164 /nfs/dbraw/zinc/65/11/64/868651164.db2.gz GOLOMQDUGSOPSH-OFVILXPXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc(Br)o2)C[C@H](C)O1 ZINC000190834149 882283489 /nfs/dbraw/zinc/28/34/89/882283489.db2.gz OJYMGBGOQYVVGZ-GASCZTMLSA-N 1 3 393.325 3.941 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000462800104 870116101 /nfs/dbraw/zinc/11/61/01/870116101.db2.gz CFLIBGBEEJQUAO-UBFVSLLYSA-N 1 3 399.623 3.769 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000462800103 870116152 /nfs/dbraw/zinc/11/61/52/870116152.db2.gz CFLIBGBEEJQUAO-ISJGIBHGSA-N 1 3 399.623 3.769 20 0 GHADHO Cn1c(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc2cc(F)ccc21 ZINC000248406995 870382523 /nfs/dbraw/zinc/38/25/23/870382523.db2.gz CNSXMHAZDJDBFW-CEWLAPEOSA-N 1 3 392.522 3.755 20 0 GHADHO Clc1ccc(-c2n[nH]cc2CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000538721484 870419248 /nfs/dbraw/zinc/41/92/48/870419248.db2.gz NEWVHOHGVLQWBQ-UHFFFAOYSA-N 1 3 388.943 3.807 20 0 GHADHO COC(=O)CCCN1CCC(Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000462956992 870537081 /nfs/dbraw/zinc/53/70/81/870537081.db2.gz IMWUIWYMZSHFSD-UHFFFAOYSA-N 1 3 387.568 3.545 20 0 GHADHO Cc1nn(-c2ccccc2)cc1CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000538762411 870601702 /nfs/dbraw/zinc/60/17/02/870601702.db2.gz OJWYRRIJULILEQ-PMACEKPBSA-N 1 3 396.579 3.892 20 0 GHADHO Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000538762411 870601711 /nfs/dbraw/zinc/60/17/11/870601711.db2.gz OJWYRRIJULILEQ-PMACEKPBSA-N 1 3 396.579 3.892 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540160561 870624315 /nfs/dbraw/zinc/62/43/15/870624315.db2.gz NZFIOFIDCDKCCC-GBESFXJTSA-N 1 3 397.332 3.543 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(C)CC[C@H](C)C3(C)C)CC2)CC1 ZINC000617663392 870677629 /nfs/dbraw/zinc/67/76/29/870677629.db2.gz SFHYTLXLFLTUMY-MBSDFSHPSA-N 1 3 377.617 3.761 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCCS2 ZINC000249183692 870782838 /nfs/dbraw/zinc/78/28/38/870782838.db2.gz JPZQDYBYFLZYOS-KNQAVFIVSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCS2 ZINC000249183692 870782852 /nfs/dbraw/zinc/78/28/52/870782852.db2.gz JPZQDYBYFLZYOS-KNQAVFIVSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccccc1-c1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000174409078 882467702 /nfs/dbraw/zinc/46/77/02/882467702.db2.gz UUOMDWBRJPXAHD-FQEVSTJZSA-N 1 3 380.532 3.953 20 0 GHADHO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1C ZINC000090028590 871090514 /nfs/dbraw/zinc/09/05/14/871090514.db2.gz HGAKTZDDDUAJQX-FQEVSTJZSA-N 1 3 379.548 3.980 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@](C)(CO)Cc2ccccc2)CC1 ZINC000449279892 871287866 /nfs/dbraw/zinc/28/78/66/871287866.db2.gz UIZHXHOWHOMRBM-OFVILXPXSA-N 1 3 380.576 3.913 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000539164760 871427097 /nfs/dbraw/zinc/42/70/97/871427097.db2.gz YSLIBAMJVAACFF-HKUYNNGSSA-N 1 3 399.501 3.765 20 0 GHADHO CCN(CC)C(=O)C[C@@H](C)N1CCC([NH3+])(Cc2ccccc2C(F)(F)F)CC1 ZINC001169451478 871512603 /nfs/dbraw/zinc/51/26/03/871512603.db2.gz HMLMVBIVBJWNQU-MRXNPFEDSA-N 1 3 399.501 3.688 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)CC1 ZINC001169695436 871765070 /nfs/dbraw/zinc/76/50/70/871765070.db2.gz YLBIBKFLPYVPSD-HXUWFJFHSA-N 1 3 389.540 3.579 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC(C)(C)C[NH+]1CCCC1 ZINC000477926003 872155060 /nfs/dbraw/zinc/15/50/60/872155060.db2.gz KNKRHFJOTCSBTQ-KRWDZBQOSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477926003 872155079 /nfs/dbraw/zinc/15/50/79/872155079.db2.gz KNKRHFJOTCSBTQ-KRWDZBQOSA-N 1 3 379.976 3.789 20 0 GHADHO Cc1cccc(C2(NCC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCC2)c1 ZINC001195476850 872428746 /nfs/dbraw/zinc/42/87/46/872428746.db2.gz JUTXKPQEFYQZDR-UHFFFAOYSA-N 1 3 391.559 3.876 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)ccc1OC ZINC000182492969 872451279 /nfs/dbraw/zinc/45/12/79/872451279.db2.gz DBPQNZKKUAXKEB-NQIIRXRSSA-N 1 3 397.567 3.647 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000527066410 872548424 /nfs/dbraw/zinc/54/84/24/872548424.db2.gz NQBBUILPMZUJSZ-OEMFJLHTSA-N 1 3 394.563 3.607 20 0 GHADHO CCCCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)CCC ZINC000176289558 882674239 /nfs/dbraw/zinc/67/42/39/882674239.db2.gz QUDPPMFOASFBEL-LJQANCHMSA-N 1 3 380.621 3.935 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000448216245 873023068 /nfs/dbraw/zinc/02/30/68/873023068.db2.gz ATNFEZLVBALMOW-QUCCMNQESA-N 1 3 394.629 3.798 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000448216245 873023088 /nfs/dbraw/zinc/02/30/88/873023088.db2.gz ATNFEZLVBALMOW-QUCCMNQESA-N 1 3 394.629 3.798 20 0 GHADHO N[C@H](CC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000448242388 873110719 /nfs/dbraw/zinc/11/07/19/873110719.db2.gz QNQBAWUKWFERTQ-OAQYLSRUSA-N 1 3 394.519 3.530 20 0 GHADHO CCOC(=O)c1c[nH]nc1[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001196534815 873187115 /nfs/dbraw/zinc/18/71/15/873187115.db2.gz FHIKEASVEQNJOX-HXUWFJFHSA-N 1 3 396.535 3.562 20 0 GHADHO Cc1[nH+]c2ccccc2c(N2CCN(CCCOCC(F)(F)F)CC2)c1C ZINC000541280051 873255654 /nfs/dbraw/zinc/25/56/54/873255654.db2.gz LTFRMXNPIXOMJF-UHFFFAOYSA-N 1 3 381.442 3.943 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000541281961 873282242 /nfs/dbraw/zinc/28/22/42/873282242.db2.gz JKMMURNUUQFVER-NRFANRHFSA-N 1 3 391.987 3.887 20 0 GHADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001196707092 873313334 /nfs/dbraw/zinc/31/33/34/873313334.db2.gz UYWJSKYWHATZRF-UHFFFAOYSA-N 1 3 390.572 3.745 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858013570 882721946 /nfs/dbraw/zinc/72/19/46/882721946.db2.gz SZXKXISNAXNIGS-JOCHJYFZSA-N 1 3 394.563 3.575 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858013570 882721938 /nfs/dbraw/zinc/72/19/38/882721938.db2.gz SZXKXISNAXNIGS-JOCHJYFZSA-N 1 3 394.563 3.575 20 0 GHADHO CC(C)CN(CC(=O)Nc1nc2ccc(F)cc2s1)CC1CC[NH+](C)CC1 ZINC001197194758 873644542 /nfs/dbraw/zinc/64/45/42/873644542.db2.gz VLDJKWAHKVCKAK-UHFFFAOYSA-N 1 3 392.544 3.674 20 0 GHADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464650982 874234935 /nfs/dbraw/zinc/23/49/35/874234935.db2.gz PKMXWNKYJJPOJI-NZQKXSOJSA-N 1 3 385.596 3.520 20 0 GHADHO COc1cccc2c(C[NH2+]Cc3ccc(CN4CCN(C)CC4)cc3)cccc12 ZINC000449082986 874466474 /nfs/dbraw/zinc/46/64/74/874466474.db2.gz RNYBECOLOUXPNI-UHFFFAOYSA-N 1 3 389.543 3.886 20 0 GHADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000541904566 874524123 /nfs/dbraw/zinc/52/41/23/874524123.db2.gz SJSOPARHRYQNMM-LKFPXLSTSA-N 1 3 376.548 3.533 20 0 GHADHO COc1ccccc1N1CC[C@@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449191105 874566360 /nfs/dbraw/zinc/56/63/60/874566360.db2.gz PBTIPFLLJZNUFS-NFBKMPQASA-N 1 3 393.575 3.959 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449320332 874727038 /nfs/dbraw/zinc/72/70/38/874727038.db2.gz NIJQATJKMJTSCX-QGZVFWFLSA-N 1 3 395.538 3.628 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC000449320800 874727062 /nfs/dbraw/zinc/72/70/62/874727062.db2.gz PUHVYMBIMUDCDA-UZTOHYMASA-N 1 3 384.589 3.750 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486928 882882816 /nfs/dbraw/zinc/88/28/16/882882816.db2.gz RCPLRTCJRHUIRJ-NFBKMPQASA-N 1 3 389.559 3.617 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001129486928 882882831 /nfs/dbraw/zinc/88/28/31/882882831.db2.gz RCPLRTCJRHUIRJ-NFBKMPQASA-N 1 3 389.559 3.617 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H](C)c1ccccc1 ZINC000542136236 875007797 /nfs/dbraw/zinc/00/77/97/875007797.db2.gz ZXXJTHPFAWHEKS-WOJBJXKFSA-N 1 3 379.548 3.794 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2cnnn2Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000491345784 875623050 /nfs/dbraw/zinc/62/30/50/875623050.db2.gz JKWAMEPERHISFU-NFBKMPQASA-N 1 3 389.547 3.717 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2cnnn2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000491345784 875623060 /nfs/dbraw/zinc/62/30/60/875623060.db2.gz JKWAMEPERHISFU-NFBKMPQASA-N 1 3 389.547 3.717 20 0 GHADHO CN(C)Cc1cccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1 ZINC000173707832 876584125 /nfs/dbraw/zinc/58/41/25/876584125.db2.gz RRUVFJUWWJYUDC-UHFFFAOYSA-N 1 3 375.900 3.594 20 0 GHADHO c1ccc(Oc2cccnc2)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173949694 876738230 /nfs/dbraw/zinc/73/82/30/876738230.db2.gz AIWMCXWNXFZMJB-UHFFFAOYSA-N 1 3 381.520 3.951 20 0 GHADHO CC[C@@H](NCc1cc(C[NH2+][C@@H](CC)[C@H]2CCCO2)ccc1F)[C@@H]1CCCO1 ZINC000450725905 876852540 /nfs/dbraw/zinc/85/25/40/876852540.db2.gz JOFZSVRBJPVGSX-CBPXPLCBSA-N 1 3 378.532 3.920 20 0 GHADHO O[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421705 876903455 /nfs/dbraw/zinc/90/34/55/876903455.db2.gz XPSMKNPBXQCOQA-PXNSSMCTSA-N 1 3 390.449 3.924 20 0 GHADHO O[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421705 876903463 /nfs/dbraw/zinc/90/34/63/876903463.db2.gz XPSMKNPBXQCOQA-PXNSSMCTSA-N 1 3 390.449 3.924 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850574696 877040372 /nfs/dbraw/zinc/04/03/72/877040372.db2.gz IKQXYBSJHRFTSW-SIKLNZKXSA-N 1 3 392.547 3.607 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000850580798 877054427 /nfs/dbraw/zinc/05/44/27/877054427.db2.gz REDPMTXEZQBCKF-VFNWGFHPSA-N 1 3 392.465 3.823 20 0 GHADHO Cc1ccc2nc(CNCc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cn2c1 ZINC000551573757 877461907 /nfs/dbraw/zinc/46/19/07/877461907.db2.gz BPNFANHXPTXLFV-KDURUIRLSA-N 1 3 378.520 3.542 20 0 GHADHO Cc1ccc2nc(CNCc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cn2c1 ZINC000551573757 877461910 /nfs/dbraw/zinc/46/19/10/877461910.db2.gz BPNFANHXPTXLFV-KDURUIRLSA-N 1 3 378.520 3.542 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000175537888 877756577 /nfs/dbraw/zinc/75/65/77/877756577.db2.gz DLNSEQCGXGBPAG-JOCHJYFZSA-N 1 3 386.584 3.558 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000615676448 877971992 /nfs/dbraw/zinc/97/19/92/877971992.db2.gz UPQLLQAGHBMWHW-IBGZPJMESA-N 1 3 392.563 3.554 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000615676448 877971995 /nfs/dbraw/zinc/97/19/95/877971995.db2.gz UPQLLQAGHBMWHW-IBGZPJMESA-N 1 3 392.563 3.554 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000615674381 878001451 /nfs/dbraw/zinc/00/14/51/878001451.db2.gz ZWFXKDVFFAETDU-UHFFFAOYSA-N 1 3 392.563 3.554 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000615674381 878001470 /nfs/dbraw/zinc/00/14/70/878001470.db2.gz ZWFXKDVFFAETDU-UHFFFAOYSA-N 1 3 392.563 3.554 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCCCCCC[NH+](C)C ZINC000746756148 878236479 /nfs/dbraw/zinc/23/64/79/878236479.db2.gz ICXJMDGPMFJHAI-OAQYLSRUSA-N 1 3 388.600 3.805 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC4(C3)CCCCCC4)CC2)CC1 ZINC000176381490 878238347 /nfs/dbraw/zinc/23/83/47/878238347.db2.gz RAIAPVJLGPNSIE-UHFFFAOYSA-N 1 3 390.616 3.691 20 0 GHADHO COc1ccc([C@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245654223 878294344 /nfs/dbraw/zinc/29/43/44/878294344.db2.gz DEGKCDHCQHRCJR-KHUIQGCPSA-N 1 3 380.532 3.904 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(Cc3c(F)cccc3F)CC2)CC1 ZINC000451955636 878766349 /nfs/dbraw/zinc/76/63/49/878766349.db2.gz BFOQEKVPUCVCDQ-UHFFFAOYSA-N 1 3 379.539 3.635 20 0 GHADHO Cc1cc(Br)cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1O ZINC000180508347 878977880 /nfs/dbraw/zinc/97/78/80/878977880.db2.gz QZSBTVZWCAWPSF-UHFFFAOYSA-N 1 3 397.357 3.540 20 0 GHADHO Cc1ccc(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)c(CN(C)C)c1 ZINC000776654687 878989057 /nfs/dbraw/zinc/98/90/57/878989057.db2.gz REIYVWGBZGNUOV-LCYFTJDESA-N 1 3 381.520 3.649 20 0 GHADHO FC(F)(F)C1CCN(CCOCC[NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC000178724099 879200270 /nfs/dbraw/zinc/20/02/70/879200270.db2.gz VSHDVDZSNAEIRM-UHFFFAOYSA-N 1 3 376.385 3.552 20 0 GHADHO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC3(CCN(C)CC3)Oc3ccccc31)C2 ZINC000538308358 879268571 /nfs/dbraw/zinc/26/85/71/879268571.db2.gz VIKSYIATVRUCPS-WIYYLYMNSA-N 1 3 394.515 3.577 20 0 GHADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000538308358 879268584 /nfs/dbraw/zinc/26/85/84/879268584.db2.gz VIKSYIATVRUCPS-WIYYLYMNSA-N 1 3 394.515 3.577 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000246344995 879434502 /nfs/dbraw/zinc/43/45/02/879434502.db2.gz FEAXZMCZLRCRFP-RTBURBONSA-N 1 3 392.613 3.552 20 0 GHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000246344995 879434510 /nfs/dbraw/zinc/43/45/10/879434510.db2.gz FEAXZMCZLRCRFP-RTBURBONSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)s1 ZINC000246366360 879468799 /nfs/dbraw/zinc/46/87/99/879468799.db2.gz IXNMDXMIJKYECO-AEGPPILISA-N 1 3 387.387 3.929 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(F)c3SC)CC2)CC1 ZINC000617274667 879558581 /nfs/dbraw/zinc/55/85/81/879558581.db2.gz FDWZMAZIYQZHDQ-UHFFFAOYSA-N 1 3 379.545 3.682 20 0 GHADHO CC[NH+](CC)CCOc1ccccc1-c1noc(C[C@H]2NCc3ccccc32)n1 ZINC000854145177 879579497 /nfs/dbraw/zinc/57/94/97/879579497.db2.gz OCZWQCDNEPHWEQ-HXUWFJFHSA-N 1 3 392.503 3.844 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000493953028 879768540 /nfs/dbraw/zinc/76/85/40/879768540.db2.gz QALJDLYZXCRKHJ-TZRRMPRUSA-N 1 3 397.607 3.522 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000494000024 879804716 /nfs/dbraw/zinc/80/47/16/879804716.db2.gz NWZWAQMBZONCLL-XXBNENTESA-N 1 3 377.532 3.675 20 0 GHADHO CC(C)(C)N1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000184670069 880358887 /nfs/dbraw/zinc/35/88/87/880358887.db2.gz QSGFSDYWELTLMS-QGZVFWFLSA-N 1 3 397.485 3.659 20 0 GHADHO c1cnn(-c2ncccc2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453083204 880439227 /nfs/dbraw/zinc/43/92/27/880439227.db2.gz MYXUYDPNUUGZPH-RJGXRXQPSA-N 1 3 387.531 3.800 20 0 GHADHO CCN1CCN(c2ccc(N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000776807826 880507252 /nfs/dbraw/zinc/50/72/52/880507252.db2.gz YPFZGVYZYXFYEH-HYBUGGRVSA-N 1 3 393.579 3.546 20 0 GHADHO CCN1CCN(c2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000776807826 880507261 /nfs/dbraw/zinc/50/72/61/880507261.db2.gz YPFZGVYZYXFYEH-HYBUGGRVSA-N 1 3 393.579 3.546 20 0 GHADHO CC[NH+]1CCN(c2ccc(N[C@@H]3CCN(Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000776807826 880507267 /nfs/dbraw/zinc/50/72/67/880507267.db2.gz YPFZGVYZYXFYEH-HYBUGGRVSA-N 1 3 393.579 3.546 20 0 GHADHO FC(F)(F)COc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000186750625 880976555 /nfs/dbraw/zinc/97/65/55/880976555.db2.gz ZRDHOJDCQKKQKG-UHFFFAOYSA-N 1 3 385.474 3.952 20 0 GHADHO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000537622335 881099164 /nfs/dbraw/zinc/09/91/64/881099164.db2.gz WNFMEUNLIUAUFF-RDPSFJRHSA-N 1 3 393.575 3.820 20 0 GHADHO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000537622335 881099186 /nfs/dbraw/zinc/09/91/86/881099186.db2.gz WNFMEUNLIUAUFF-RDPSFJRHSA-N 1 3 393.575 3.820 20 0 GHADHO CC(C)CN(Cc1cnn(C)c1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000453612168 881149840 /nfs/dbraw/zinc/14/98/40/881149840.db2.gz AFNHNTZOBGHJCD-UHFFFAOYSA-N 1 3 383.584 3.609 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCC2 ZINC000858476142 883127064 /nfs/dbraw/zinc/12/70/64/883127064.db2.gz NBEAWACOKHHEKT-LJQANCHMSA-N 1 3 377.573 3.915 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)C12CCC2 ZINC000858476142 883127072 /nfs/dbraw/zinc/12/70/72/883127072.db2.gz NBEAWACOKHHEKT-LJQANCHMSA-N 1 3 377.573 3.915 20 0 GHADHO C[C@@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000465436402 883833811 /nfs/dbraw/zinc/83/38/11/883833811.db2.gz DQEVWESRTTYCQG-GOSISDBHSA-N 1 3 386.584 3.602 20 0 GHADHO CN1CCO[C@H]([C@H](NCCCCC[NH+]2CCCC2)c2ccc(Cl)cc2)C1 ZINC000556234383 884187865 /nfs/dbraw/zinc/18/78/65/884187865.db2.gz XCFJJIVVIGXQTQ-LEWJYISDSA-N 1 3 379.976 3.567 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C[C@H](C)O1 ZINC000623424922 885379515 /nfs/dbraw/zinc/37/95/15/885379515.db2.gz KRERXNUVSNZIIE-GJZGRUSLSA-N 1 3 392.437 3.746 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cc(OC(F)F)ccn3)c3ccccc23)CC1 ZINC001170527912 885537855 /nfs/dbraw/zinc/53/78/55/885537855.db2.gz CXBMPPBEDABFGV-UHFFFAOYSA-N 1 3 386.446 3.593 20 0 GHADHO COCCOc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1 ZINC001170528565 885565547 /nfs/dbraw/zinc/56/55/47/885565547.db2.gz SDNDYLKNMPRMNU-UHFFFAOYSA-N 1 3 393.531 3.621 20 0 GHADHO COC(=O)c1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ccc1C ZINC001170528452 885583327 /nfs/dbraw/zinc/58/33/27/885583327.db2.gz PRKUIUUZIAWELU-UHFFFAOYSA-N 1 3 391.515 3.691 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000236977064 886900478 /nfs/dbraw/zinc/90/04/78/886900478.db2.gz UEZGURWCAFQCGK-QGZVFWFLSA-N 1 3 389.490 3.873 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CSc3ccc4ccccc4c3)CC2)CC1 ZINC000050801980 887711598 /nfs/dbraw/zinc/71/15/98/887711598.db2.gz LDCIJVDHQBNUQO-UHFFFAOYSA-N 1 3 397.588 3.607 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000809973211 888031540 /nfs/dbraw/zinc/03/15/40/888031540.db2.gz KSXOQOFQZVEHJP-JOCHJYFZSA-N 1 3 375.532 3.501 20 0 GHADHO OC1(C[NH2+]Cc2cc(Br)cs2)CCN(Cc2ccccc2)CC1 ZINC000397588584 888112862 /nfs/dbraw/zinc/11/28/62/888112862.db2.gz IHBBHKWRWONMNK-UHFFFAOYSA-N 1 3 395.366 3.627 20 0 GHADHO CC(C)(C)OC(=O)N[C@H](CNC1CC[NH+](C(C)(C)C)CC1)CC(F)(F)F ZINC000865418238 888336506 /nfs/dbraw/zinc/33/65/06/888336506.db2.gz CYILQQZTLBZSQW-AWEZNQCLSA-N 1 3 381.483 3.685 20 0 GHADHO CC[NH+]1CCN(Cc2ccccc2CNCc2ccnc(Cl)c2Cl)CC1 ZINC000811474215 889659552 /nfs/dbraw/zinc/65/95/52/889659552.db2.gz FMZLZFGBFLWEQE-UHFFFAOYSA-N 1 3 393.362 3.816 20 0 GHADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(CN2CCCC2)c1 ZINC000063768865 889737775 /nfs/dbraw/zinc/73/77/75/889737775.db2.gz DGPVKIWTNIWUTB-UHFFFAOYSA-N 1 3 377.532 3.808 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](C3CC3)C3CCC(C)CC3)cc2)CC1 ZINC000917065001 890926224 /nfs/dbraw/zinc/92/62/24/890926224.db2.gz PGAOSDPWBDFAFC-UHFFFAOYSA-N 1 3 398.595 3.810 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](C3CC3)C3CCC(C)CC3)cc2)CC1 ZINC000917065001 890926238 /nfs/dbraw/zinc/92/62/38/890926238.db2.gz PGAOSDPWBDFAFC-UHFFFAOYSA-N 1 3 398.595 3.810 20 0 GHADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246748 891548445 /nfs/dbraw/zinc/54/84/45/891548445.db2.gz AJNYCNPSQUOLDU-CYBMUJFWSA-N 1 3 384.553 3.639 20 0 GHADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247449 891548498 /nfs/dbraw/zinc/54/84/98/891548498.db2.gz MVJCNVROPUVKPW-CABCVRRESA-N 1 3 392.532 3.618 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000128495147 892016237 /nfs/dbraw/zinc/01/62/37/892016237.db2.gz UVLCINNIIIPWBM-OAHLLOKOSA-N 1 3 381.948 3.776 20 0 GHADHO C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508721216 892970302 /nfs/dbraw/zinc/97/03/02/892970302.db2.gz ULXSDISZBYXZNN-ZJSXRUAMSA-N 1 3 388.559 3.974 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000563200188 893472630 /nfs/dbraw/zinc/47/26/30/893472630.db2.gz CDLMWGOCSLFHSW-OAQYLSRUSA-N 1 3 397.588 3.857 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000556119519 893834641 /nfs/dbraw/zinc/83/46/41/893834641.db2.gz ZDSRISPWMYJLSP-ARFHVFGLSA-N 1 3 399.398 3.855 20 0 GHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000498291483 893934899 /nfs/dbraw/zinc/93/48/99/893934899.db2.gz HBCFWVYRSOGRPS-YADHBBJMSA-N 1 3 386.584 3.544 20 0 GHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000498291483 893934908 /nfs/dbraw/zinc/93/49/08/893934908.db2.gz HBCFWVYRSOGRPS-YADHBBJMSA-N 1 3 386.584 3.544 20 0 GHADHO CC(C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537016632 894195760 /nfs/dbraw/zinc/19/57/60/894195760.db2.gz QYZMMNIZRWMVJN-YRNRMSPPSA-N 1 3 375.513 3.710 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999106 894206083 /nfs/dbraw/zinc/20/60/83/894206083.db2.gz YEYCZHHMSBIRNW-JTHBVZDNSA-N 1 3 395.522 3.764 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999106 894206096 /nfs/dbraw/zinc/20/60/96/894206096.db2.gz YEYCZHHMSBIRNW-JTHBVZDNSA-N 1 3 395.522 3.764 20 0 GHADHO O[C@@H]1CCN(C[C@@H](C[N@@H+]2CC[C@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722373 894536329 /nfs/dbraw/zinc/53/63/29/894536329.db2.gz FSTCTIAQLCPISK-KOUNCHBCSA-N 1 3 390.612 3.552 20 0 GHADHO O[C@@H]1CCN(C[C@@H](C[N@H+]2CC[C@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722373 894536337 /nfs/dbraw/zinc/53/63/37/894536337.db2.gz FSTCTIAQLCPISK-KOUNCHBCSA-N 1 3 390.612 3.552 20 0 GHADHO O[C@@H]1CC[N@@H+](C[C@@H](CN2CC[C@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722373 894536349 /nfs/dbraw/zinc/53/63/49/894536349.db2.gz FSTCTIAQLCPISK-KOUNCHBCSA-N 1 3 390.612 3.552 20 0 GHADHO O[C@@H]1CC[N@H+](C[C@@H](CN2CC[C@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722373 894536364 /nfs/dbraw/zinc/53/63/64/894536364.db2.gz FSTCTIAQLCPISK-KOUNCHBCSA-N 1 3 390.612 3.552 20 0 GHADHO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000564150770 894651288 /nfs/dbraw/zinc/65/12/88/894651288.db2.gz RJRZYPSJVAQYJI-SBHAEUEKSA-N 1 3 399.579 3.648 20 0 GHADHO C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC001135563926 894799805 /nfs/dbraw/zinc/79/98/05/894799805.db2.gz OLMNPEINWUVRIC-RDPSFJRHSA-N 1 3 393.575 3.749 20 0 GHADHO C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000645493391 913933360 /nfs/dbraw/zinc/93/33/60/913933360.db2.gz ZLKVNDJBJQZFMZ-NZQKXSOJSA-N 1 3 386.580 3.710 20 0 GHADHO CC[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)N(CC)CC ZINC000564685117 895180876 /nfs/dbraw/zinc/18/08/76/895180876.db2.gz QYJSEHVCPDAHCC-HXUWFJFHSA-N 1 3 388.556 3.560 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](c4ccc(C)cc4)C[C@@H]3C)CC2)CC1 ZINC000565548547 895715739 /nfs/dbraw/zinc/71/57/39/895715739.db2.gz JBDXIUHWNUMGIR-NZQKXSOJSA-N 1 3 397.607 3.896 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)C2(OC)CCOCC2)ccc1OC ZINC000817587783 895758151 /nfs/dbraw/zinc/75/81/51/895758151.db2.gz HTDHOVRYOKGWPL-MSOLQXFVSA-N 1 3 378.557 3.772 20 0 GHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000817892101 895951589 /nfs/dbraw/zinc/95/15/89/895951589.db2.gz QRBUAWUXVQSHSU-XVWGUNQUSA-N 1 3 391.515 3.720 20 0 GHADHO [NH3+]CCC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000566210947 896173625 /nfs/dbraw/zinc/17/36/25/896173625.db2.gz AJOBVRMNUFMLDA-RBBKRZOGSA-N 1 3 383.511 3.634 20 0 GHADHO C[C@](O)(CNC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1Cl ZINC000818945648 896286813 /nfs/dbraw/zinc/28/68/13/896286813.db2.gz NEACTYLAUPCQAU-KRWDZBQOSA-N 1 3 387.749 3.526 20 0 GHADHO COc1ccc(OC)c([C@H](O)CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000818959481 896298546 /nfs/dbraw/zinc/29/85/46/896298546.db2.gz LKHFXRWKGCLNIN-WZONZLPQSA-N 1 3 398.547 3.759 20 0 GHADHO COc1ccc(OC)c([C@H](O)CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000818959481 896298555 /nfs/dbraw/zinc/29/85/55/896298555.db2.gz LKHFXRWKGCLNIN-WZONZLPQSA-N 1 3 398.547 3.759 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)CC1 ZINC000568201658 897669557 /nfs/dbraw/zinc/66/95/57/897669557.db2.gz VQEKFHPVAGYUTP-UHFFFAOYSA-N 1 3 399.457 3.562 20 0 GHADHO CC[C@@H](Cc1ccccc1)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568777759 898094962 /nfs/dbraw/zinc/09/49/62/898094962.db2.gz GWBTVVKKFOAYBP-QFIPXVFZSA-N 1 3 385.596 3.662 20 0 GHADHO COc1nc2ccccc2cc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001137201423 898498530 /nfs/dbraw/zinc/49/85/30/898498530.db2.gz VEQXMTFLNOVYKO-UHFFFAOYSA-N 1 3 383.536 3.568 20 0 GHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c2ccccc21 ZINC000569349567 898566778 /nfs/dbraw/zinc/56/67/78/898566778.db2.gz OCSGBKGMGRBYJE-XMCHAPAWSA-N 1 3 380.442 3.878 20 0 GHADHO O=C(NCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000570590085 899413677 /nfs/dbraw/zinc/41/36/77/899413677.db2.gz KBAPABZXYQUKOO-DNVJHFABSA-N 1 3 383.580 3.573 20 0 GHADHO COC[C@@H]1CCCN(Cc2cncc(C[N@@H+]3CCC[C@@H](COC)CC3)c2)CC1 ZINC000572693310 900252951 /nfs/dbraw/zinc/25/29/51/900252951.db2.gz LZGYTIKYNVXOEQ-NHCUHLMSSA-N 1 3 389.584 3.579 20 0 GHADHO COC[C@@H]1CCCN(Cc2cncc(C[N@H+]3CCC[C@@H](COC)CC3)c2)CC1 ZINC000572693310 900252964 /nfs/dbraw/zinc/25/29/64/900252964.db2.gz LZGYTIKYNVXOEQ-NHCUHLMSSA-N 1 3 389.584 3.579 20 0 GHADHO O=C(C1CC1)N1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000572787576 900276656 /nfs/dbraw/zinc/27/66/56/900276656.db2.gz AOWMELSYEQUVNJ-QPTUXGOLSA-N 1 3 395.591 3.668 20 0 GHADHO O=C(C1CC1)N1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000572787577 900277178 /nfs/dbraw/zinc/27/71/78/900277178.db2.gz AOWMELSYEQUVNJ-YFNKSVMNSA-N 1 3 395.591 3.668 20 0 GHADHO COc1ccc2c(c1)nc(C[NH2+][C@@H]1CCN(Cc3ccccc3)C3(CC3)C1)n2C ZINC000573606360 900573718 /nfs/dbraw/zinc/57/37/18/900573718.db2.gz UNFSTGOMHWKEHB-LJQANCHMSA-N 1 3 390.531 3.869 20 0 GHADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1C ZINC000646431151 914512579 /nfs/dbraw/zinc/51/25/79/914512579.db2.gz DEHYNNWIFYWAMG-UHFFFAOYSA-N 1 3 378.948 3.637 20 0 GHADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cn1 ZINC000886638213 901201560 /nfs/dbraw/zinc/20/15/60/901201560.db2.gz OCBVAYOQYGVNEN-DUSBTPNUSA-N 1 3 378.564 3.774 20 0 GHADHO C[C@@H](CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000576651425 902161106 /nfs/dbraw/zinc/16/11/06/902161106.db2.gz KYQIQWQKCBJFGP-LPHOPBHVSA-N 1 3 380.964 3.506 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]3CCC[C@H](C)C3)cc2)CC1 ZINC001171191191 902246172 /nfs/dbraw/zinc/24/61/72/902246172.db2.gz YDXYJIRTFWGUSW-SLFFLAALSA-N 1 3 386.584 3.571 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cc4ccccc4s3)CC2)CC1 ZINC000577076228 902487559 /nfs/dbraw/zinc/48/75/59/902487559.db2.gz ORLBOWSCGNAKDE-UHFFFAOYSA-N 1 3 399.604 3.756 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646576114 914686251 /nfs/dbraw/zinc/68/62/51/914686251.db2.gz WRPMCJXRHRCKQY-RPWUZVMVSA-N 1 3 391.559 3.819 20 0 GHADHO COc1ccc(Cl)c2c1C[C@@H]([NH2+]C1CCN(CC3CCOCC3)CC1)CC2 ZINC001171301301 903741732 /nfs/dbraw/zinc/74/17/32/903741732.db2.gz PKSGEUQBPYFMFD-SFHVURJKSA-N 1 3 392.971 3.687 20 0 GHADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000578354825 903762724 /nfs/dbraw/zinc/76/27/24/903762724.db2.gz HXNRJYRVHXGIQP-MRXNPFEDSA-N 1 3 399.501 3.621 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C(C)(C)n1cncn1 ZINC000578472600 903877358 /nfs/dbraw/zinc/87/73/58/903877358.db2.gz GPSVISHLRSWDPU-INIZCTEOSA-N 1 3 375.948 3.557 20 0 GHADHO CSc1ccc([C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)N(C)C)cc1 ZINC000578882935 904204948 /nfs/dbraw/zinc/20/49/48/904204948.db2.gz PYSYYFQCVOCOKR-NRFANRHFSA-N 1 3 385.577 3.545 20 0 GHADHO C[NH+]1C(C)(C)CC(N[C@@H]2C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1(C)C ZINC001171630649 904851660 /nfs/dbraw/zinc/85/16/60/904851660.db2.gz RCUXKJVNRYEKRT-CGTJXYLNSA-N 1 3 377.573 3.649 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@@H]2C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1(C)C ZINC001171630649 904851670 /nfs/dbraw/zinc/85/16/70/904851670.db2.gz RCUXKJVNRYEKRT-CGTJXYLNSA-N 1 3 377.573 3.649 20 0 GHADHO C[C@H]1C[C@H]([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CN1Cc1ccccc1 ZINC001171761811 904997698 /nfs/dbraw/zinc/99/76/98/904997698.db2.gz GAXPYVADEWHUDP-RDPSFJRHSA-N 1 3 381.539 3.996 20 0 GHADHO C[C@H]1C[C@H]([N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CN1Cc1ccccc1 ZINC001171761811 904997707 /nfs/dbraw/zinc/99/77/07/904997707.db2.gz GAXPYVADEWHUDP-RDPSFJRHSA-N 1 3 381.539 3.996 20 0 GHADHO O=C(CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)NCc1ccccc1 ZINC001172072811 905279244 /nfs/dbraw/zinc/27/92/44/905279244.db2.gz NGMVFLOQXYVTSQ-BKFWDETESA-N 1 3 391.559 3.868 20 0 GHADHO O=C(CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccccc1 ZINC001172072811 905279260 /nfs/dbraw/zinc/27/92/60/905279260.db2.gz NGMVFLOQXYVTSQ-BKFWDETESA-N 1 3 391.559 3.868 20 0 GHADHO O=C1CCC[C@]2(CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)N1 ZINC001172074208 905282242 /nfs/dbraw/zinc/28/22/42/905282242.db2.gz RIUXVKZSDNYBNN-JTOYRKQZSA-N 1 3 381.564 3.707 20 0 GHADHO O=C1CCC[C@]2(CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)N1 ZINC001172074208 905282255 /nfs/dbraw/zinc/28/22/55/905282255.db2.gz RIUXVKZSDNYBNN-JTOYRKQZSA-N 1 3 381.564 3.707 20 0 GHADHO O=C(NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1)C1CCC1 ZINC001172075693 905283781 /nfs/dbraw/zinc/28/37/81/905283781.db2.gz SELYANXQKMCKFM-UBRQYEGLSA-N 1 3 395.591 3.953 20 0 GHADHO O=C(NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CCC1 ZINC001172075693 905283792 /nfs/dbraw/zinc/28/37/92/905283792.db2.gz SELYANXQKMCKFM-UBRQYEGLSA-N 1 3 395.591 3.953 20 0 GHADHO O=C1NCCC2(CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)O1 ZINC001172083247 905296332 /nfs/dbraw/zinc/29/63/32/905296332.db2.gz OZEWDZMAPWTGAO-WKCHPHFGSA-N 1 3 383.536 3.537 20 0 GHADHO O=C1NCCC2(CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)O1 ZINC001172083247 905296347 /nfs/dbraw/zinc/29/63/47/905296347.db2.gz OZEWDZMAPWTGAO-WKCHPHFGSA-N 1 3 383.536 3.537 20 0 GHADHO CCOC(=O)[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCS1 ZINC001172087079 905303214 /nfs/dbraw/zinc/30/32/14/905303214.db2.gz JHRKUEFQVUNVCY-IVAOSVALSA-N 1 3 388.577 3.553 20 0 GHADHO CCOC(=O)[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCS1 ZINC001172087079 905303229 /nfs/dbraw/zinc/30/32/29/905303229.db2.gz JHRKUEFQVUNVCY-IVAOSVALSA-N 1 3 388.577 3.553 20 0 GHADHO CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001172062997 905323898 /nfs/dbraw/zinc/32/38/98/905323898.db2.gz VGDBEFLEWOILPP-KOUNCHBCSA-N 1 3 398.572 3.765 20 0 GHADHO Cc1cccc(N2CCC[C@@]3(C2)C[N@H+]([C@H]2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001172116426 905367552 /nfs/dbraw/zinc/36/75/52/905367552.db2.gz FEPIWIYCHUTSSA-AWAHEQQVSA-N 1 3 383.580 3.682 20 0 GHADHO Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+]([C@H]2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001172116426 905367561 /nfs/dbraw/zinc/36/75/61/905367561.db2.gz FEPIWIYCHUTSSA-AWAHEQQVSA-N 1 3 383.580 3.682 20 0 GHADHO Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@@H]2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001172116436 905368620 /nfs/dbraw/zinc/36/86/20/905368620.db2.gz FEPIWIYCHUTSSA-DVKRWUGUSA-N 1 3 383.580 3.682 20 0 GHADHO Cc1cccc(N2CCC[C@]3(C2)C[N@@H+]([C@@H]2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001172116436 905368632 /nfs/dbraw/zinc/36/86/32/905368632.db2.gz FEPIWIYCHUTSSA-DVKRWUGUSA-N 1 3 383.580 3.682 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172224758 905424843 /nfs/dbraw/zinc/42/48/43/905424843.db2.gz NMJGADJEDSEXFS-HRVKUGKESA-N 1 3 376.566 3.513 20 0 GHADHO COCCCN1CCC([NH2+]C[C@H](c2ccc(Cl)cc2Cl)N(C)C)CC1 ZINC001172246717 905446203 /nfs/dbraw/zinc/44/62/03/905446203.db2.gz QUCNQWAHBWAZKF-LJQANCHMSA-N 1 3 388.383 3.687 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H](NC2CC([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172603872 905664059 /nfs/dbraw/zinc/66/40/59/905664059.db2.gz JLWZHTCFYORVNK-MPLMCADHSA-N 1 3 377.504 3.654 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C2CC(N)C2)CCN1C(=O)OC(C)(C)C ZINC001172603872 905664066 /nfs/dbraw/zinc/66/40/66/905664066.db2.gz JLWZHTCFYORVNK-MPLMCADHSA-N 1 3 377.504 3.654 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001172605366 905665355 /nfs/dbraw/zinc/66/53/55/905665355.db2.gz OYZZPMKKQLUJMR-HKUYNNGSSA-N 1 3 378.944 3.873 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001172605370 905665779 /nfs/dbraw/zinc/66/57/79/905665779.db2.gz OYZZPMKKQLUJMR-PKOBYXMFSA-N 1 3 378.944 3.873 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001172778485 905818862 /nfs/dbraw/zinc/81/88/62/905818862.db2.gz MPRJTNOFJLKIDI-UYAOXDASSA-N 1 3 376.516 3.749 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC(N)(c2cccc(F)c2)CC1 ZINC001172960680 906070420 /nfs/dbraw/zinc/07/04/20/906070420.db2.gz XMLPJLCTJSOQDQ-MRXNPFEDSA-N 1 3 379.520 3.721 20 0 GHADHO CC[NH+](CC)C1CCC(N2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001173115005 906202914 /nfs/dbraw/zinc/20/29/14/906202914.db2.gz VTWQLZOTQVPMNN-HRTMPFAESA-N 1 3 385.596 3.981 20 0 GHADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001173213501 906330561 /nfs/dbraw/zinc/33/05/61/906330561.db2.gz FSVXSTDJNYCFSK-OAQYLSRUSA-N 1 3 393.575 3.693 20 0 GHADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001173213501 906330571 /nfs/dbraw/zinc/33/05/71/906330571.db2.gz FSVXSTDJNYCFSK-OAQYLSRUSA-N 1 3 393.575 3.693 20 0 GHADHO CCCC[C@H](CC(C)C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001173245461 906334678 /nfs/dbraw/zinc/33/46/78/906334678.db2.gz GIZNDJMMEDWLGR-FGZHOGPDSA-N 1 3 387.612 3.996 20 0 GHADHO CC1CCN(CCC[NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC001173767401 906686702 /nfs/dbraw/zinc/68/67/02/906686702.db2.gz LHEVGHFGTQMCKP-UHFFFAOYSA-N 1 3 395.950 3.795 20 0 GHADHO CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000180161044 906704053 /nfs/dbraw/zinc/70/40/53/906704053.db2.gz WJHJQFQHUFFQLB-PUHATCMVSA-N 1 3 383.580 3.524 20 0 GHADHO CN(CCC[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173783839 906708358 /nfs/dbraw/zinc/70/83/58/906708358.db2.gz SYBCTFPCNMCXHD-UHFFFAOYSA-N 1 3 381.923 3.501 20 0 GHADHO C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630572 907043054 /nfs/dbraw/zinc/04/30/54/907043054.db2.gz YDTHIMZMYOIGTH-DLBZAZTESA-N 1 3 383.536 3.877 20 0 GHADHO C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630572 907043058 /nfs/dbraw/zinc/04/30/58/907043058.db2.gz YDTHIMZMYOIGTH-DLBZAZTESA-N 1 3 383.536 3.877 20 0 GHADHO Cc1cc(Nc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)cc[nH+]1 ZINC001174655997 907153549 /nfs/dbraw/zinc/15/35/49/907153549.db2.gz ZRWUZIOAWQYGPU-UHFFFAOYSA-N 1 3 378.520 3.646 20 0 GHADHO CCC1(N2CCC2)CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001176234543 907997533 /nfs/dbraw/zinc/99/75/33/907997533.db2.gz BJZXAEHGVHMHPT-UHFFFAOYSA-N 1 3 379.589 3.974 20 0 GHADHO CCC1([NH+]2CCC2)CCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001176234543 907997552 /nfs/dbraw/zinc/99/75/52/907997552.db2.gz BJZXAEHGVHMHPT-UHFFFAOYSA-N 1 3 379.589 3.974 20 0 GHADHO CC[C@H](C)Oc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000299499168 921380609 /nfs/dbraw/zinc/38/06/09/921380609.db2.gz RLQRCKCHCJEYEQ-KRWDZBQOSA-N 1 3 388.556 3.544 20 0 GHADHO Cc1cc(C2OCCO2)c(C)cc1CNCc1cccc(OCC[NH+](C)C)c1 ZINC001177319149 908524677 /nfs/dbraw/zinc/52/46/77/908524677.db2.gz YZRIUQDWINZLQT-UHFFFAOYSA-N 1 3 384.520 3.579 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000067671576 908578779 /nfs/dbraw/zinc/57/87/79/908578779.db2.gz PQZNUTRTRKTKQD-INIZCTEOSA-N 1 3 377.479 3.557 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCS2 ZINC000191547330 908640637 /nfs/dbraw/zinc/64/06/37/908640637.db2.gz XIGVJYJKDDBMAO-DENIHFKCSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCS2 ZINC000191547330 908640647 /nfs/dbraw/zinc/64/06/47/908640647.db2.gz XIGVJYJKDDBMAO-DENIHFKCSA-N 1 3 398.572 3.979 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000267325895 909452434 /nfs/dbraw/zinc/45/24/34/909452434.db2.gz LBZFMVGRYHHSDA-UHFFFAOYSA-N 1 3 388.600 3.805 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](c3nc(CC)no3)C2)CC1 ZINC001179722531 909682773 /nfs/dbraw/zinc/68/27/73/909682773.db2.gz MJGVEZAAHNTJIA-AZUAARDMSA-N 1 3 397.567 3.590 20 0 GHADHO COc1cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc(OC)c1OC ZINC000268759225 910002026 /nfs/dbraw/zinc/00/20/26/910002026.db2.gz ZFNZCMGTVQJZOL-MRXNPFEDSA-N 1 3 388.508 3.504 20 0 GHADHO C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CC(=O)N2C ZINC000268864089 910049296 /nfs/dbraw/zinc/04/92/96/910049296.db2.gz KDDPVYMQXLTOEV-IAGOWNOFSA-N 1 3 381.520 3.558 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638637221 910207633 /nfs/dbraw/zinc/20/76/33/910207633.db2.gz OYWKXNJBSPUFAP-OFNKIYASSA-N 1 3 385.596 3.834 20 0 GHADHO CC(C)(O)C[NH+]1CCC(NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000638812537 910241628 /nfs/dbraw/zinc/24/16/28/910241628.db2.gz FLLCJUMEUWCNJF-UHFFFAOYSA-N 1 3 393.984 3.831 20 0 GHADHO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCCN(c3ccncc3)CC2)c(C)c1 ZINC000639703697 910620775 /nfs/dbraw/zinc/62/07/75/910620775.db2.gz LSENXKDFUBMGEJ-UHFFFAOYSA-N 1 3 380.536 3.938 20 0 GHADHO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCCN(c3ccncc3)CC2)c(C)c1 ZINC000639703697 910620785 /nfs/dbraw/zinc/62/07/85/910620785.db2.gz LSENXKDFUBMGEJ-UHFFFAOYSA-N 1 3 380.536 3.938 20 0 GHADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)Nc1ccccc1C(F)(F)F ZINC000639706492 910622325 /nfs/dbraw/zinc/62/23/25/910622325.db2.gz ZEAWZOHXFYHMLO-UHFFFAOYSA-N 1 3 392.425 3.641 20 0 GHADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)Nc1ccccc1C(F)(F)F ZINC000639706492 910622334 /nfs/dbraw/zinc/62/23/34/910622334.db2.gz ZEAWZOHXFYHMLO-UHFFFAOYSA-N 1 3 392.425 3.641 20 0 GHADHO O=C(CCN1CCCN(c2cc[nH+]cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000639706492 910622346 /nfs/dbraw/zinc/62/23/46/910622346.db2.gz ZEAWZOHXFYHMLO-UHFFFAOYSA-N 1 3 392.425 3.641 20 0 GHADHO CC(C)[NH+]1CCN(C2CCN([C@@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000270854048 910717950 /nfs/dbraw/zinc/71/79/50/910717950.db2.gz HEPCSGNHAWJKAW-IBGZPJMESA-N 1 3 382.552 3.893 20 0 GHADHO O[C@@H](CNC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000641915214 911594070 /nfs/dbraw/zinc/59/40/70/911594070.db2.gz WCMOVLPFEZDBOL-FXAWDEMLSA-N 1 3 397.950 4.000 20 0 GHADHO C[C@H](NC1CCN(CC[NH+](C)C)CC1)c1csc(-c2ccccc2F)n1 ZINC000291112349 914985140 /nfs/dbraw/zinc/98/51/40/914985140.db2.gz FMQFVLDCPWHGIC-HNNXBMFYSA-N 1 3 376.545 3.626 20 0 GHADHO COc1cccc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cc(F)ccc2OC)c1 ZINC000647549610 915321805 /nfs/dbraw/zinc/32/18/05/915321805.db2.gz JYFWTDXZVIUXDA-MUCNXURCSA-N 1 3 384.495 3.910 20 0 GHADHO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975475 915457295 /nfs/dbraw/zinc/45/72/95/915457295.db2.gz ATMYUVUOHWZEKP-OAGGEKHMSA-N 1 3 383.458 3.744 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000292273119 915593572 /nfs/dbraw/zinc/59/35/72/915593572.db2.gz UFYIBUXTQWIFJU-LJQANCHMSA-N 1 3 397.563 3.960 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1CN1CCCCC1 ZINC000775361112 917158505 /nfs/dbraw/zinc/15/85/05/917158505.db2.gz BHOGTFHBGUURLE-SFHVURJKSA-N 1 3 399.579 3.733 20 0 GHADHO CCCCOc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000650722655 917248059 /nfs/dbraw/zinc/24/80/59/917248059.db2.gz YSLMYXGLSZEKOP-SBHAEUEKSA-N 1 3 376.541 3.735 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1CN1CCCCC1 ZINC000775387064 917328644 /nfs/dbraw/zinc/32/86/44/917328644.db2.gz VZHLTZDYDNXDOZ-AUSIDOKSSA-N 1 3 382.548 3.935 20 0 GHADHO Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000295614958 917381242 /nfs/dbraw/zinc/38/12/42/917381242.db2.gz GOSJGMUENMFVNK-SCLBCKFNSA-N 1 3 397.332 3.666 20 0 GHADHO CN(CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000653123450 918133348 /nfs/dbraw/zinc/13/33/48/918133348.db2.gz ZAGOHCKOVOLOJS-HSZRJFAPSA-N 1 3 379.548 3.537 20 0 GHADHO C[NH+](C)CCOc1ccccc1N1CCN(CCCc2cccc(F)c2)CC1 ZINC001191891248 918282517 /nfs/dbraw/zinc/28/25/17/918282517.db2.gz GJOPLRUFEBYLAO-UHFFFAOYSA-N 1 3 385.527 3.521 20 0 GHADHO CCN(CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000775502423 918456425 /nfs/dbraw/zinc/45/64/25/918456425.db2.gz WFPFFWSAEGGKDN-UYAOXDASSA-N 1 3 375.557 3.744 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3c(Cl)cccc3Cl)CC2)CC1 ZINC000654657384 919276642 /nfs/dbraw/zinc/27/66/42/919276642.db2.gz DSCZMQMAMXPYHK-UHFFFAOYSA-N 1 3 398.378 3.601 20 0 GHADHO c1cc([C@H]2CCC[N@H+]2Cc2ccccc2CN2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000367558865 922199902 /nfs/dbraw/zinc/19/99/02/922199902.db2.gz GTQIZVWXUJCXGD-SZPZYZBQSA-N 1 3 376.508 3.807 20 0 GHADHO c1cc([C@H]2CCC[N@@H+]2Cc2ccccc2CN2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000367558865 922199907 /nfs/dbraw/zinc/19/99/07/922199907.db2.gz GTQIZVWXUJCXGD-SZPZYZBQSA-N 1 3 376.508 3.807 20 0 GHADHO c1cc([C@H]2CCCN2Cc2ccccc2C[N@@H+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000367558865 922199918 /nfs/dbraw/zinc/19/99/18/922199918.db2.gz GTQIZVWXUJCXGD-SZPZYZBQSA-N 1 3 376.508 3.807 20 0 GHADHO c1cc([C@H]2CCCN2Cc2ccccc2C[N@H+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000367558865 922199927 /nfs/dbraw/zinc/19/99/27/922199927.db2.gz GTQIZVWXUJCXGD-SZPZYZBQSA-N 1 3 376.508 3.807 20 0 GHADHO Cc1ccc(-c2ncc(CN3CCC(C[NH+]4CCN(C)CC4)CC3)s2)cc1 ZINC000368045103 922445375 /nfs/dbraw/zinc/44/53/75/922445375.db2.gz VEQDECSCIXKXKI-UHFFFAOYSA-N 1 3 384.593 3.578 20 0 GHADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000903127992 922795596 /nfs/dbraw/zinc/79/55/96/922795596.db2.gz PNWYCXOECBETQC-VBYMRULDSA-N 1 3 379.552 3.702 20 0 GHADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000903127992 922795606 /nfs/dbraw/zinc/79/56/06/922795606.db2.gz PNWYCXOECBETQC-VBYMRULDSA-N 1 3 379.552 3.702 20 0 GHADHO CC(=O)N1CC[C@H](NCc2ccc(OCCC[NH+](C)C)cc2)c2ccccc21 ZINC000677426475 924357322 /nfs/dbraw/zinc/35/73/22/924357322.db2.gz UEWCMHHRDMMFPD-QFIPXVFZSA-N 1 3 381.520 3.605 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@]3(CO)CCCN(Cc4ccccc4)C3)CC2)C1 ZINC000679042405 925007059 /nfs/dbraw/zinc/00/70/59/925007059.db2.gz BFXGGLQFGTZLGY-NQHRYMMQSA-N 1 3 399.623 3.646 20 0 GHADHO CN(CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411723741 926692419 /nfs/dbraw/zinc/69/24/19/926692419.db2.gz XPEXIURKAOZBMX-SRDOODBNSA-N 1 3 397.588 3.901 20 0 GHADHO CN(CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411723741 926692429 /nfs/dbraw/zinc/69/24/29/926692429.db2.gz XPEXIURKAOZBMX-SRDOODBNSA-N 1 3 397.588 3.901 20 0 GHADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000753036153 929167724 /nfs/dbraw/zinc/16/77/24/929167724.db2.gz BBRZPUOAJDYWJM-UHFFFAOYSA-N 1 3 392.613 3.618 20 0 GHADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000781425418 930840838 /nfs/dbraw/zinc/84/08/38/930840838.db2.gz ILZZGIYBCLQGRH-IKJKNFHUSA-N 1 3 385.596 3.519 20 0 GHADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000781425418 930840840 /nfs/dbraw/zinc/84/08/40/930840840.db2.gz ILZZGIYBCLQGRH-IKJKNFHUSA-N 1 3 385.596 3.519 20 0 GHADHO CC1(C)CCc2cc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000781641849 930922011 /nfs/dbraw/zinc/92/20/11/930922011.db2.gz UYSXWSDTSDUBOE-JOCHJYFZSA-N 1 3 380.532 3.647 20 0 GHADHO CC1(C)CCc2cc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000781641849 930922019 /nfs/dbraw/zinc/92/20/19/930922019.db2.gz UYSXWSDTSDUBOE-JOCHJYFZSA-N 1 3 380.532 3.647 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470888787 931001757 /nfs/dbraw/zinc/00/17/57/931001757.db2.gz AJVJBUFHIOOUBR-FGZHOGPDSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470888787 931001762 /nfs/dbraw/zinc/00/17/62/931001762.db2.gz AJVJBUFHIOOUBR-FGZHOGPDSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470898017 931010983 /nfs/dbraw/zinc/01/09/83/931010983.db2.gz PUVYMIZBOBRRBH-SJBKTWHCSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H]1CN(Cc2cccc(CN3C[C@@H](C4CC4)O[C@@H](C)C3)c2)C[C@@H](C2CC2)O1 ZINC000470922782 931035865 /nfs/dbraw/zinc/03/58/65/931035865.db2.gz GSCMPNQJUJLJJF-VBVDBJQASA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1CN(Cc2cccc(C[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)c2)C[C@@H](C2CC2)O1 ZINC000470922782 931035878 /nfs/dbraw/zinc/03/58/78/931035878.db2.gz GSCMPNQJUJLJJF-VBVDBJQASA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1CN(Cc2cccc(C[N@@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)c2)C[C@@H](C2CC2)O1 ZINC000470922782 931035887 /nfs/dbraw/zinc/03/58/87/931035887.db2.gz GSCMPNQJUJLJJF-VBVDBJQASA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2cccc(CN3C[C@@H](C4CC4)O[C@@H](C)C3)c2)C[C@@H](C2CC2)O1 ZINC000470922782 931035897 /nfs/dbraw/zinc/03/58/97/931035897.db2.gz GSCMPNQJUJLJJF-VBVDBJQASA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1C[N@H+](Cc2cccc(CN3C[C@@H](C4CC4)O[C@@H](C)C3)c2)C[C@@H](C2CC2)O1 ZINC000470922782 931035904 /nfs/dbraw/zinc/03/59/04/931035904.db2.gz GSCMPNQJUJLJJF-VBVDBJQASA-N 1 3 384.564 3.685 20 0 GHADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000557357059 931370917 /nfs/dbraw/zinc/37/09/17/931370917.db2.gz FMLXLMVDFHDADW-HXUWFJFHSA-N 1 3 377.960 3.543 20 0 GHADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000557357059 931370929 /nfs/dbraw/zinc/37/09/29/931370929.db2.gz FMLXLMVDFHDADW-HXUWFJFHSA-N 1 3 377.960 3.543 20 0 GHADHO CCN1CC[NH+](CCCCN[C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924663145 931467007 /nfs/dbraw/zinc/46/70/07/931467007.db2.gz YXHKIRKKRNOOOO-XMMPIXPASA-N 1 3 392.547 3.925 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNCc2c(Cl)cccc2N2CCOCC2)C1 ZINC000559243473 932545010 /nfs/dbraw/zinc/54/50/10/932545010.db2.gz IYJRLKXBKTUIPS-GOSISDBHSA-N 1 3 379.976 3.778 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNCc2c(Cl)cccc2N2CCOCC2)C1 ZINC000559243473 932545017 /nfs/dbraw/zinc/54/50/17/932545017.db2.gz IYJRLKXBKTUIPS-GOSISDBHSA-N 1 3 379.976 3.778 20 0 GHADHO C[N@@H+]1CC[C@@H](NCc2cccc(CN3CCCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000559741434 932829758 /nfs/dbraw/zinc/82/97/58/932829758.db2.gz MEQJIUBGTJOBMQ-DHIUTWEWSA-N 1 3 377.532 3.734 20 0 GHADHO C[N@H+]1CC[C@@H](NCc2cccc(CN3CCCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000559741434 932829760 /nfs/dbraw/zinc/82/97/60/932829760.db2.gz MEQJIUBGTJOBMQ-DHIUTWEWSA-N 1 3 377.532 3.734 20 0 GHADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000560894447 933660698 /nfs/dbraw/zinc/66/06/98/933660698.db2.gz WSRFFDPZMLHYMA-CEXWTWQISA-N 1 3 390.572 3.757 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561060510 933828161 /nfs/dbraw/zinc/82/81/61/933828161.db2.gz LVMIOJGWVVOPON-VQTJNVASSA-N 1 3 383.561 3.523 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561060510 933828164 /nfs/dbraw/zinc/82/81/64/933828164.db2.gz LVMIOJGWVVOPON-VQTJNVASSA-N 1 3 383.561 3.523 20 0 GHADHO C[C@@H](NC(=O)[C@H](C)N1CCCC2(CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC001118198429 934106100 /nfs/dbraw/zinc/10/61/00/934106100.db2.gz NAUKVBCZUGPAQH-MOPGFXCFSA-N 1 3 379.548 3.871 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000468122944 1015299759 /nfs/dbraw/zinc/29/97/59/1015299759.db2.gz YQLUGIRGVNOQRB-WZONZLPQSA-N 1 3 386.499 3.812 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000468122944 1015299762 /nfs/dbraw/zinc/29/97/62/1015299762.db2.gz YQLUGIRGVNOQRB-WZONZLPQSA-N 1 3 386.499 3.812 20 0 GHADHO CCc1ccc(CNC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)s1 ZINC000469765463 1016618054 /nfs/dbraw/zinc/61/80/54/1016618054.db2.gz STSFOPAHGFPLBP-QZTJIDSGSA-N 1 3 399.604 3.673 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H]1CCCc2cccnc21 ZINC001227160553 1032300038 /nfs/dbraw/zinc/30/00/38/1032300038.db2.gz JFWFWRHODSMXOC-QFIPXVFZSA-N 1 3 396.579 3.723 20 0 GHADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(F)(F)F)c3c2CCNC3)nc1 ZINC001154854616 1032312301 /nfs/dbraw/zinc/31/23/01/1032312301.db2.gz JUJMHMSNPWJQRU-MRXNPFEDSA-N 1 3 393.457 3.869 20 0 GHADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(F)(F)F)c3c2CCNC3)nc1 ZINC001154854616 1032312307 /nfs/dbraw/zinc/31/23/07/1032312307.db2.gz JUJMHMSNPWJQRU-MRXNPFEDSA-N 1 3 393.457 3.869 20 0 GHADHO Cc1cccnc1O[C@@H]1CCCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204271404 1032714673 /nfs/dbraw/zinc/71/46/73/1032714673.db2.gz MDBHBVBSBPURKP-JOCHJYFZSA-N 1 3 383.536 3.764 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000638271735 1021037787 /nfs/dbraw/zinc/03/77/87/1021037787.db2.gz SMAHUSVLVAGLEK-ISKFKSNPSA-N 1 3 387.531 3.784 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000638271735 1021037795 /nfs/dbraw/zinc/03/77/95/1021037795.db2.gz SMAHUSVLVAGLEK-ISKFKSNPSA-N 1 3 387.531 3.784 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000834890793 1021626325 /nfs/dbraw/zinc/62/63/25/1021626325.db2.gz FNPSRVOWZJHVHX-UXDRXVOSSA-N 1 3 388.556 3.691 20 0 GHADHO C[NH+](C)CCCC(C)(C)NCc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835055508 1021825366 /nfs/dbraw/zinc/82/53/66/1021825366.db2.gz VIRCFDMSKKJQIY-UHFFFAOYSA-N 1 3 396.601 3.646 20 0 GHADHO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CCC1 ZINC000754107401 1022487786 /nfs/dbraw/zinc/48/77/86/1022487786.db2.gz UQMNUWKKRQLLSQ-GOSISDBHSA-N 1 3 387.568 3.638 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4ccncc34)C[C@@H]21 ZINC001140803067 1022572787 /nfs/dbraw/zinc/57/27/87/1022572787.db2.gz KHXWKMDBPZFNCX-FRGLQRNOSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4ccncc34)C[C@@H]21 ZINC001140803067 1022572796 /nfs/dbraw/zinc/57/27/96/1022572796.db2.gz KHXWKMDBPZFNCX-FRGLQRNOSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4cc[nH]cc3-4)C[C@@H]21 ZINC001140803067 1022572803 /nfs/dbraw/zinc/57/28/03/1022572803.db2.gz KHXWKMDBPZFNCX-FRGLQRNOSA-N 1 3 375.520 3.690 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4cc[nH]cc3-4)C[C@@H]21 ZINC001140803067 1022572816 /nfs/dbraw/zinc/57/28/16/1022572816.db2.gz KHXWKMDBPZFNCX-FRGLQRNOSA-N 1 3 375.520 3.690 20 0 GHADHO CN1CCN(Cc2ccc(Nc3cccc4c3OCC[C@@H]4[NH+](C)C)cc2)CC1 ZINC001204758606 1033072831 /nfs/dbraw/zinc/07/28/31/1033072831.db2.gz GSIODURDYZHEOV-QFIPXVFZSA-N 1 3 380.536 3.563 20 0 GHADHO Cc1cccc([C@H]2CCCN2Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)c1 ZINC001204849365 1033119851 /nfs/dbraw/zinc/11/98/51/1033119851.db2.gz ZCKBNNVUKRTJBJ-JOCHJYFZSA-N 1 3 375.520 3.842 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)c2ccccc2Cl)CC1 ZINC000756127193 1023530482 /nfs/dbraw/zinc/53/04/82/1023530482.db2.gz IWWHDWINYXNOGK-JOCHJYFZSA-N 1 3 387.955 3.695 20 0 GHADHO COc1cc2cccnc2c(N(c2ncc(C)cc2CN)[C@H](C)CCC[NH3+])c1 ZINC001156758040 1033226140 /nfs/dbraw/zinc/22/61/40/1033226140.db2.gz ZOLXVRPRSRQOFM-MRXNPFEDSA-N 1 3 379.508 3.671 20 0 GHADHO CC(C)N1CCN(Cc2ccc(NCc3ccc4c(c3)CC[NH2+]C4)c(F)c2)CC1 ZINC001162816347 1025927791 /nfs/dbraw/zinc/92/77/91/1025927791.db2.gz OYZUIACCMYSXGE-UHFFFAOYSA-N 1 3 396.554 3.610 20 0 GHADHO c1cn(-c2ccc(C[NH+]3CCC4(CCN(Cc5cccnc5)C4)CC3)cc2)cn1 ZINC001139359907 1026232418 /nfs/dbraw/zinc/23/24/18/1026232418.db2.gz NDEOOUCSSKWRDU-UHFFFAOYSA-N 1 3 387.531 3.755 20 0 GHADHO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCN(Cc3ccncc3)CC2)nc1 ZINC001163828732 1026330656 /nfs/dbraw/zinc/33/06/56/1026330656.db2.gz PIHVTCFAFJBBOI-QFIPXVFZSA-N 1 3 379.552 3.736 20 0 GHADHO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCN(Cc3ccncc3)CC2)nc1 ZINC001163828732 1026330668 /nfs/dbraw/zinc/33/06/68/1026330668.db2.gz PIHVTCFAFJBBOI-QFIPXVFZSA-N 1 3 379.552 3.736 20 0 GHADHO CO[C@H]1CCC[N@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139515543 1026372907 /nfs/dbraw/zinc/37/29/07/1026372907.db2.gz QZLBRVLVLSXQSG-QHCPKHFHSA-N 1 3 379.548 3.620 20 0 GHADHO CO[C@H]1CCC[N@@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139515543 1026372921 /nfs/dbraw/zinc/37/29/21/1026372921.db2.gz QZLBRVLVLSXQSG-QHCPKHFHSA-N 1 3 379.548 3.620 20 0 GHADHO CCOC(CSc1ccccc1NCC1(N(C)C)CC[NH+](C)CC1)OCC ZINC001164212773 1026454520 /nfs/dbraw/zinc/45/45/20/1026454520.db2.gz CBDBURCYZCTDPC-UHFFFAOYSA-N 1 3 395.613 3.616 20 0 GHADHO Cc1cccc2sc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c21 ZINC001166247757 1026952880 /nfs/dbraw/zinc/95/28/80/1026952880.db2.gz JPPGOOXNALFSSZ-AWEZNQCLSA-N 1 3 381.973 3.865 20 0 GHADHO Cc1cccc2sc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c21 ZINC001166247757 1026952882 /nfs/dbraw/zinc/95/28/82/1026952882.db2.gz JPPGOOXNALFSSZ-AWEZNQCLSA-N 1 3 381.973 3.865 20 0 GHADHO COc1ccc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc1O ZINC001203868486 1027671049 /nfs/dbraw/zinc/67/10/49/1027671049.db2.gz UKMCYYQHUYNGRN-UHFFFAOYSA-N 1 3 381.520 3.672 20 0 GHADHO COc1ccc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1O ZINC001203868486 1027671052 /nfs/dbraw/zinc/67/10/52/1027671052.db2.gz UKMCYYQHUYNGRN-UHFFFAOYSA-N 1 3 381.520 3.672 20 0 GHADHO c1[nH]c2ccccc2c1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001204047112 1027836341 /nfs/dbraw/zinc/83/63/41/1027836341.db2.gz UBVFRPMLACJYRK-UHFFFAOYSA-N 1 3 390.531 3.678 20 0 GHADHO COc1cccc(-c2csc(CNC3CCN(c4cc[nH+]cc4)CC3)n2)c1 ZINC001204048161 1027836877 /nfs/dbraw/zinc/83/68/77/1027836877.db2.gz ORSUOGADYVPDDJ-UHFFFAOYSA-N 1 3 380.517 3.972 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)c1ccco1 ZINC001211244970 1027854828 /nfs/dbraw/zinc/85/48/28/1027854828.db2.gz NJXLEZCQHWAIRY-XUVXKRRUSA-N 1 3 392.588 3.765 20 0 GHADHO COc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1O ZINC001204126680 1027899152 /nfs/dbraw/zinc/89/91/52/1027899152.db2.gz LMHJCGDUVBPTAA-LEWJYISDSA-N 1 3 396.531 3.753 20 0 GHADHO COc1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1O ZINC001204126680 1027899173 /nfs/dbraw/zinc/89/91/73/1027899173.db2.gz LMHJCGDUVBPTAA-LEWJYISDSA-N 1 3 396.531 3.753 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1 ZINC000840883509 1027920115 /nfs/dbraw/zinc/92/01/15/1027920115.db2.gz DNFQWJYEXIWGIV-FQEVSTJZSA-N 1 3 390.531 3.550 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183099880 1029240880 /nfs/dbraw/zinc/24/08/80/1029240880.db2.gz IWOQUABQHVTPOL-CEXWTWQISA-N 1 3 379.589 3.876 20 0 GHADHO c1nc2cccc(CN3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCC3CC3)c2[nH]1 ZINC001142680300 1029256431 /nfs/dbraw/zinc/25/64/31/1029256431.db2.gz XFALQVNQMWCUIK-URXFXBBRSA-N 1 3 394.563 3.523 20 0 GHADHO c1nc2cccc(CN3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)c2[nH]1 ZINC001142680300 1029256444 /nfs/dbraw/zinc/25/64/44/1029256444.db2.gz XFALQVNQMWCUIK-URXFXBBRSA-N 1 3 394.563 3.523 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC001461525457 1069591370 /nfs/dbraw/zinc/59/13/70/1069591370.db2.gz XJAVMFJYGAVBST-GMAHTHKFSA-N 1 3 375.601 3.597 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)sc2c1 ZINC000843125342 1029816867 /nfs/dbraw/zinc/81/68/67/1029816867.db2.gz SOLWUVRVBBNGJT-STQMWFEESA-N 1 3 380.355 3.880 20 0 GHADHO C[C@@H]1CC[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426572 1029998047 /nfs/dbraw/zinc/99/80/47/1029998047.db2.gz AIHAHSCNVRTDKG-PBASOCQRSA-N 1 3 387.568 3.709 20 0 GHADHO C[C@@H]1CC[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426572 1029998057 /nfs/dbraw/zinc/99/80/57/1029998057.db2.gz AIHAHSCNVRTDKG-PBASOCQRSA-N 1 3 387.568 3.709 20 0 GHADHO CCOc1c(Br)cc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC001461604595 1069636242 /nfs/dbraw/zinc/63/62/42/1069636242.db2.gz HFKRBUAFTFNCOY-DLBZAZTESA-N 1 3 397.357 3.963 20 0 GHADHO CCOc1c(Br)cc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC001461604595 1069636246 /nfs/dbraw/zinc/63/62/46/1069636246.db2.gz HFKRBUAFTFNCOY-DLBZAZTESA-N 1 3 397.357 3.963 20 0 GHADHO Fc1cccc(COc2ccc(CN3CCOCC4(CC[NH2+]CC4)C3)cc2)c1 ZINC001222400815 1030108176 /nfs/dbraw/zinc/10/81/76/1030108176.db2.gz IYPZFFQZBDZDIF-UHFFFAOYSA-N 1 3 384.495 3.607 20 0 GHADHO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC001149519405 1030204002 /nfs/dbraw/zinc/20/40/02/1030204002.db2.gz QFEMRXOJHXQHSU-VXKWHMMOSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC001149519405 1030204015 /nfs/dbraw/zinc/20/40/15/1030204015.db2.gz QFEMRXOJHXQHSU-VXKWHMMOSA-N 1 3 383.580 3.764 20 0 GHADHO C[NH+](C)Cc1ccc(-c2cnc(O[C@H]3CCNC[C@H]3F)c3cccc(O)c32)cc1 ZINC001218070378 1030756008 /nfs/dbraw/zinc/75/60/08/1030756008.db2.gz MFUPVAHWCAULIR-CTNGQTDRSA-N 1 3 395.478 3.748 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)c2ccccc2)CC1 ZINC001224305745 1030962105 /nfs/dbraw/zinc/96/21/05/1030962105.db2.gz GKZFGKXLAURVON-OAQYLSRUSA-N 1 3 388.600 3.689 20 0 GHADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C(C)(C)c2ccc(N)cc2)cc1 ZINC001218910792 1031148248 /nfs/dbraw/zinc/14/82/48/1031148248.db2.gz JXGTUCHOHLWHEF-NRFANRHFSA-N 1 3 382.552 3.592 20 0 GHADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(C(C)(C)C)ccc1Br ZINC001219081252 1031246288 /nfs/dbraw/zinc/24/62/88/1031246288.db2.gz PVHBCGUCUQSEER-HNNXBMFYSA-N 1 3 384.362 3.744 20 0 GHADHO CC(C)Oc1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(Cl)cc1Cl ZINC001219123856 1031263066 /nfs/dbraw/zinc/26/30/66/1031263066.db2.gz CMWWNAAELAIHID-AWEZNQCLSA-N 1 3 376.328 3.778 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001219549773 1031493946 /nfs/dbraw/zinc/49/39/46/1031493946.db2.gz AHPAPIZDMQYKPW-IBGZPJMESA-N 1 3 387.474 3.970 20 0 GHADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](N)CCCc1ccccc1)CC21CC[NH2+]CC1 ZINC001219754238 1031594052 /nfs/dbraw/zinc/59/40/52/1031594052.db2.gz OYQWHQCJPWQZDO-XZOQPEGZSA-N 1 3 391.559 3.527 20 0 GHADHO CSc1cccc(Cl)c1CN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277106736 1031842238 /nfs/dbraw/zinc/84/22/38/1031842238.db2.gz CLKHZVQHTCZXEM-HXUWFJFHSA-N 1 3 396.000 3.581 20 0 GHADHO C[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)N1CCC(Cc2ccccc2)CC1 ZINC001154078137 1031915136 /nfs/dbraw/zinc/91/51/36/1031915136.db2.gz KXXYOOIXUBVJCY-LEWJYISDSA-N 1 3 385.596 3.710 20 0 GHADHO CCOC(=O)N1CC[C@@H]([NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001205457051 1033420186 /nfs/dbraw/zinc/42/01/86/1033420186.db2.gz OYFVAJFDAJHTSK-NFBKMPQASA-N 1 3 387.568 3.745 20 0 GHADHO CCOC(=O)N1CC[C@@H](NC[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001205457051 1033420199 /nfs/dbraw/zinc/42/01/99/1033420199.db2.gz OYFVAJFDAJHTSK-NFBKMPQASA-N 1 3 387.568 3.745 20 0 GHADHO CCOC(=O)N1CC[C@@H](NC[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001205457051 1033420207 /nfs/dbraw/zinc/42/02/07/1033420207.db2.gz OYFVAJFDAJHTSK-NFBKMPQASA-N 1 3 387.568 3.745 20 0 GHADHO CCN(C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C)[C@H]1CC[N@H+](CC)C1 ZINC001229619342 1033597183 /nfs/dbraw/zinc/59/71/83/1033597183.db2.gz FQJTUAYCQHOEDL-VXKWHMMOSA-N 1 3 388.600 3.614 20 0 GHADHO CCN(C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C)[C@H]1CC[N@@H+](CC)C1 ZINC001229619342 1033597187 /nfs/dbraw/zinc/59/71/87/1033597187.db2.gz FQJTUAYCQHOEDL-VXKWHMMOSA-N 1 3 388.600 3.614 20 0 GHADHO C[C@@H](CCNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC001229796100 1033722132 /nfs/dbraw/zinc/72/21/32/1033722132.db2.gz ZJHGPPPPAGBMAT-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H](CCNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC001229796100 1033722150 /nfs/dbraw/zinc/72/21/50/1033722150.db2.gz ZJHGPPPPAGBMAT-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO [NH3+]CC1(c2ccccc2)CCN(Cc2c[nH]c3nccc(Br)c23)CC1 ZINC001206749976 1033968329 /nfs/dbraw/zinc/96/83/29/1033968329.db2.gz QHVHRHSHBYUJLX-UHFFFAOYSA-N 1 3 399.336 3.818 20 0 GHADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158251272 1033988843 /nfs/dbraw/zinc/98/88/43/1033988843.db2.gz ZSIXQJFQQOJQLT-SQNIBIBYSA-N 1 3 395.469 3.545 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)CC1 ZINC001206827195 1034009468 /nfs/dbraw/zinc/00/94/68/1034009468.db2.gz JGSRJKFQMCQPON-LJQANCHMSA-N 1 3 391.600 3.878 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001207288631 1034239024 /nfs/dbraw/zinc/23/90/24/1034239024.db2.gz BHACLKYROUOJIV-FGZHOGPDSA-N 1 3 399.579 3.840 20 0 GHADHO CCOc1cccc(N2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001207292725 1034246252 /nfs/dbraw/zinc/24/62/52/1034246252.db2.gz XMXPVUUZLFUCJP-UHFFFAOYSA-N 1 3 394.563 3.515 20 0 GHADHO COc1ccc(CC[NH+]2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)cc1 ZINC001207479845 1034390303 /nfs/dbraw/zinc/39/03/03/1034390303.db2.gz UVIUMWRQJJLVHQ-QHCPKHFHSA-N 1 3 394.559 3.993 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCc1ccc(Cl)cc1)C2 ZINC001207597133 1034474618 /nfs/dbraw/zinc/47/46/18/1034474618.db2.gz YUCYPFMLEAWILZ-UNMCSNQZSA-N 1 3 376.972 3.953 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCc1ccc(Cl)cc1)C2 ZINC001207597133 1034474621 /nfs/dbraw/zinc/47/46/21/1034474621.db2.gz YUCYPFMLEAWILZ-UNMCSNQZSA-N 1 3 376.972 3.953 20 0 GHADHO Clc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c(n1)CNCC2 ZINC001159294364 1034529149 /nfs/dbraw/zinc/52/91/49/1034529149.db2.gz QAOMUATXFIBYDS-NNZMDNLPSA-N 1 3 382.939 3.988 20 0 GHADHO Clc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c(n1)CNCC2 ZINC001159294364 1034529158 /nfs/dbraw/zinc/52/91/58/1034529158.db2.gz QAOMUATXFIBYDS-NNZMDNLPSA-N 1 3 382.939 3.988 20 0 GHADHO CN(C)c1cc[nH+]c(NC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC001159518908 1034635233 /nfs/dbraw/zinc/63/52/33/1034635233.db2.gz ANTPHQIIZDFLKX-HSZRJFAPSA-N 1 3 390.531 3.623 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001160572729 1035006063 /nfs/dbraw/zinc/00/60/63/1035006063.db2.gz TWJMDXWOVQQHGH-XQBPLPMBSA-N 1 3 389.584 3.609 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001160572729 1035006072 /nfs/dbraw/zinc/00/60/72/1035006072.db2.gz TWJMDXWOVQQHGH-XQBPLPMBSA-N 1 3 389.584 3.609 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001231971150 1035015296 /nfs/dbraw/zinc/01/52/96/1035015296.db2.gz OYLIRWHEYGRVIR-JOCHJYFZSA-N 1 3 390.531 3.818 20 0 GHADHO Cc1cc(F)ncc1CN1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001231981765 1035020827 /nfs/dbraw/zinc/02/08/27/1035020827.db2.gz NEEKPPJCQXZVTH-GOSISDBHSA-N 1 3 389.540 3.846 20 0 GHADHO Cc1cc(F)ncc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001231981765 1035020835 /nfs/dbraw/zinc/02/08/35/1035020835.db2.gz NEEKPPJCQXZVTH-GOSISDBHSA-N 1 3 389.540 3.846 20 0 GHADHO O=C(C[C@H]1CCCC[NH2+]1)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160683549 1035035389 /nfs/dbraw/zinc/03/53/89/1035035389.db2.gz NMIGXRMWRWEXEC-DNQXCXABSA-N 1 3 391.559 3.822 20 0 GHADHO O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208934614 1035100822 /nfs/dbraw/zinc/10/08/22/1035100822.db2.gz JZIVSIZIDZBOKZ-UKILVPOCSA-N 1 3 395.591 3.623 20 0 GHADHO O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208934614 1035100828 /nfs/dbraw/zinc/10/08/28/1035100828.db2.gz JZIVSIZIDZBOKZ-UKILVPOCSA-N 1 3 395.591 3.623 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950401 1035121718 /nfs/dbraw/zinc/12/17/18/1035121718.db2.gz SVEWQQCTCKDBCH-NHCUHLMSSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950401 1035121724 /nfs/dbraw/zinc/12/17/24/1035121724.db2.gz SVEWQQCTCKDBCH-NHCUHLMSSA-N 1 3 387.568 3.745 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001232151033 1035130685 /nfs/dbraw/zinc/13/06/85/1035130685.db2.gz JUXIBBJBSSZKDQ-DFQSSKMNSA-N 1 3 391.531 3.622 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001232151033 1035130690 /nfs/dbraw/zinc/13/06/90/1035130690.db2.gz JUXIBBJBSSZKDQ-DFQSSKMNSA-N 1 3 391.531 3.622 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)c1 ZINC001232151857 1035130735 /nfs/dbraw/zinc/13/07/35/1035130735.db2.gz QDWHYIYJBPDPPC-HSZRJFAPSA-N 1 3 382.479 3.729 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)c1 ZINC001232151857 1035130741 /nfs/dbraw/zinc/13/07/41/1035130741.db2.gz QDWHYIYJBPDPPC-HSZRJFAPSA-N 1 3 382.479 3.729 20 0 GHADHO C[NH+](C)CCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CCC1=O ZINC001232195785 1035156125 /nfs/dbraw/zinc/15/61/25/1035156125.db2.gz XADZFVGEQWXSOM-UHFFFAOYSA-N 1 3 385.939 3.603 20 0 GHADHO Cc1ccc(CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161396453 1035221857 /nfs/dbraw/zinc/22/18/57/1035221857.db2.gz ONZFKZSHQFYOAH-CADBVGFASA-N 1 3 397.485 3.524 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001209451073 1035277018 /nfs/dbraw/zinc/27/70/18/1035277018.db2.gz ZKUQILURBFGHTF-GHTZIAJQSA-N 1 3 383.552 3.533 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001209451073 1035277020 /nfs/dbraw/zinc/27/70/20/1035277020.db2.gz ZKUQILURBFGHTF-GHTZIAJQSA-N 1 3 383.552 3.533 20 0 GHADHO Fc1cccc(N2CCOC[C@@]3(CCC[N@H+](CCCN4CCCCC4)C3)C2)c1 ZINC001209450033 1035277275 /nfs/dbraw/zinc/27/72/75/1035277275.db2.gz HJOMKGJPYYZKKO-HSZRJFAPSA-N 1 3 389.559 3.621 20 0 GHADHO Fc1cccc(N2CCOC[C@@]3(CCC[N@@H+](CCCN4CCCCC4)C3)C2)c1 ZINC001209450033 1035277279 /nfs/dbraw/zinc/27/72/79/1035277279.db2.gz HJOMKGJPYYZKKO-HSZRJFAPSA-N 1 3 389.559 3.621 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001209451078 1035277442 /nfs/dbraw/zinc/27/74/42/1035277442.db2.gz ZKUQILURBFGHTF-WIYYLYMNSA-N 1 3 383.552 3.533 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001209451078 1035277446 /nfs/dbraw/zinc/27/74/46/1035277446.db2.gz ZKUQILURBFGHTF-WIYYLYMNSA-N 1 3 383.552 3.533 20 0 GHADHO [NH3+]C1CCN(c2cccc(N[C@@H](c3ccc(C(F)(F)F)cn3)C3CC3)n2)CC1 ZINC001161785915 1035302163 /nfs/dbraw/zinc/30/21/63/1035302163.db2.gz FATOAFFLWGZWRP-LJQANCHMSA-N 1 3 391.441 3.986 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001462117554 1070009164 /nfs/dbraw/zinc/00/91/64/1070009164.db2.gz RJCSDTLMTVLKPQ-NZQKXSOJSA-N 1 3 389.559 3.760 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001462117554 1070009187 /nfs/dbraw/zinc/00/91/87/1070009187.db2.gz RJCSDTLMTVLKPQ-NZQKXSOJSA-N 1 3 389.559 3.760 20 0 GHADHO CC[C@@H]1C[C@H](N[C@@H]2Cc3ccc(I)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246274225 1037270579 /nfs/dbraw/zinc/27/05/79/1037270579.db2.gz XKPABGNEXZOHOF-XDNAFOTISA-N 1 3 398.332 3.657 20 0 GHADHO CC[C@H]1C[C@@H](NCC(Cc2ccccc2)(Cc2ccccc2)C(=O)OC)CC[NH2+]1 ZINC001246327329 1037295675 /nfs/dbraw/zinc/29/56/75/1037295675.db2.gz INLNHJAQUSAPPF-GOTSBHOMSA-N 1 3 394.559 3.751 20 0 GHADHO Clc1cccc(CN2CC[C@H](N[C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)c1 ZINC001246360222 1037320995 /nfs/dbraw/zinc/32/09/95/1037320995.db2.gz GNWQBYRPAYIWAY-RJGXRXQPSA-N 1 3 383.967 3.867 20 0 GHADHO COC(=O)C1(C)CCC([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)CC1 ZINC001246385702 1037344704 /nfs/dbraw/zinc/34/47/04/1037344704.db2.gz DBZKYNQCMYHQPM-UHFFFAOYSA-N 1 3 378.944 3.716 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([NH2+]Cc3ccc(OCC4CCOCC4)cc3)CCN2)cc1 ZINC001246410744 1037368238 /nfs/dbraw/zinc/36/82/38/1037368238.db2.gz LJVZHZFDDNHUFL-DNQXCXABSA-N 1 3 394.559 3.945 20 0 GHADHO COC(=O)CC1CCC(NC2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246420061 1037376846 /nfs/dbraw/zinc/37/68/46/1037376846.db2.gz DYZIBMFZDNTTSG-UHFFFAOYSA-N 1 3 398.469 3.996 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2ccccc2OC)CCNCC1 ZINC001246426563 1037384842 /nfs/dbraw/zinc/38/48/42/1037384842.db2.gz RUTLZOMUDJBDMB-FQEVSTJZSA-N 1 3 396.531 3.700 20 0 GHADHO COC(=O)CC1CCC([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)CC1 ZINC001246426819 1037385556 /nfs/dbraw/zinc/38/55/56/1037385556.db2.gz CZMUGJDYQJLVNE-UHFFFAOYSA-N 1 3 378.944 3.716 20 0 GHADHO FC1(F)CNCC[C@@H]1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001246487791 1037434941 /nfs/dbraw/zinc/43/49/41/1037434941.db2.gz MJPDROQKMILNKN-NCYKPQTJSA-N 1 3 377.523 3.797 20 0 GHADHO OC1(c2ccc(Cl)cc2)CC[NH+]([C@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246519786 1037454695 /nfs/dbraw/zinc/45/46/95/1037454695.db2.gz QCHJUSWTXNRSJZ-YADHBBJMSA-N 1 3 384.951 3.987 20 0 GHADHO C[C@H](Cc1ccccn1)[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246622269 1037511918 /nfs/dbraw/zinc/51/19/18/1037511918.db2.gz YPEWEMZDKZWXOP-NFBKMPQASA-N 1 3 379.548 3.816 20 0 GHADHO C[C@H](Cc1ccccn1)[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246622269 1037511938 /nfs/dbraw/zinc/51/19/38/1037511938.db2.gz YPEWEMZDKZWXOP-NFBKMPQASA-N 1 3 379.548 3.816 20 0 GHADHO C[C@H](Cc1ccccn1)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622269 1037511968 /nfs/dbraw/zinc/51/19/68/1037511968.db2.gz YPEWEMZDKZWXOP-NFBKMPQASA-N 1 3 379.548 3.816 20 0 GHADHO CC(C)CN1Cc2ccccc2CC2(CCN(C3C[C@H](C)[NH2+][C@@H](C)C3)CC2)C1=O ZINC001246747436 1037588314 /nfs/dbraw/zinc/58/83/14/1037588314.db2.gz KGIGMKVKBWNFCW-PMACEKPBSA-N 1 3 397.607 3.839 20 0 GHADHO CC(C)CN1Cc2ccccc2CC2(CC[NH+](C3C[C@H](C)N[C@@H](C)C3)CC2)C1=O ZINC001246747436 1037588330 /nfs/dbraw/zinc/58/83/30/1037588330.db2.gz KGIGMKVKBWNFCW-PMACEKPBSA-N 1 3 397.607 3.839 20 0 GHADHO CCCC[C@H]1C[C@H]([N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CCN1 ZINC001246747758 1037588740 /nfs/dbraw/zinc/58/87/40/1037588740.db2.gz RLGQHYFDBXLTPI-NXYDZRKXSA-N 1 3 383.580 3.635 20 0 GHADHO CCCC[C@H]1C[C@H]([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CCN1 ZINC001246747758 1037588755 /nfs/dbraw/zinc/58/87/55/1037588755.db2.gz RLGQHYFDBXLTPI-NXYDZRKXSA-N 1 3 383.580 3.635 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CCN(C3CC[NH2+]CC3)CC2)c2ccccc21 ZINC001246753393 1037592914 /nfs/dbraw/zinc/59/29/14/1037592914.db2.gz LEQNMSZFFSQPHN-LJQANCHMSA-N 1 3 383.580 3.518 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](C3CCNCC3)CC2)c2ccccc21 ZINC001246753393 1037592931 /nfs/dbraw/zinc/59/29/31/1037592931.db2.gz LEQNMSZFFSQPHN-LJQANCHMSA-N 1 3 383.580 3.518 20 0 GHADHO C[C@H]1C[C@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[N@@H+]1Cc1ccccc1 ZINC001246831547 1037662844 /nfs/dbraw/zinc/66/28/44/1037662844.db2.gz CVPNEBWXXCNRQP-ZMUKGBGYSA-N 1 3 381.539 3.852 20 0 GHADHO C[C@H]1C[C@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[N@H+]1Cc1ccccc1 ZINC001246831547 1037662858 /nfs/dbraw/zinc/66/28/58/1037662858.db2.gz CVPNEBWXXCNRQP-ZMUKGBGYSA-N 1 3 381.539 3.852 20 0 GHADHO COCC[N@H+](C1CCNCC1)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246839816 1037667538 /nfs/dbraw/zinc/66/75/38/1037667538.db2.gz MSOVROPMZBYSKD-XMMPIXPASA-N 1 3 394.559 3.823 20 0 GHADHO COCC[N@@H+](C1CCNCC1)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246839816 1037667561 /nfs/dbraw/zinc/66/75/61/1037667561.db2.gz MSOVROPMZBYSKD-XMMPIXPASA-N 1 3 394.559 3.823 20 0 GHADHO COCCN(C1CC[NH2+]CC1)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246839816 1037667573 /nfs/dbraw/zinc/66/75/73/1037667573.db2.gz MSOVROPMZBYSKD-XMMPIXPASA-N 1 3 394.559 3.823 20 0 GHADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C1)C2 ZINC001246880770 1037693755 /nfs/dbraw/zinc/69/37/55/1037693755.db2.gz RUIPMLLIHBMHMN-RLIDHQHUSA-N 1 3 384.564 3.748 20 0 GHADHO COC(=O)[C@H]1CN([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920820 1037726799 /nfs/dbraw/zinc/72/67/99/1037726799.db2.gz STHBRRCFKKYVBD-LNRXMEIDSA-N 1 3 382.479 3.507 20 0 GHADHO C[NH+](C)CCN1C[C@@H]2CCN(Cc3cnc(-c4ccc(Cl)cc4)s3)[C@@H]2C1 ZINC001278472622 1037743954 /nfs/dbraw/zinc/74/39/54/1037743954.db2.gz SATDXXVMKUDNNU-QFBILLFUSA-N 1 3 390.984 3.531 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953297 1037758987 /nfs/dbraw/zinc/75/89/87/1037758987.db2.gz AXDAKADJWVNFAA-YJBOKZPZSA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246953297 1037759006 /nfs/dbraw/zinc/75/90/06/1037759006.db2.gz AXDAKADJWVNFAA-YJBOKZPZSA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246953297 1037759027 /nfs/dbraw/zinc/75/90/27/1037759027.db2.gz AXDAKADJWVNFAA-YJBOKZPZSA-N 1 3 380.479 3.641 20 0 GHADHO CCOc1ccc([C@H]2CCCN2C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252928726 1039266324 /nfs/dbraw/zinc/26/63/24/1039266324.db2.gz BEFZGRRXIPLZGL-RPWUZVMVSA-N 1 3 380.532 3.859 20 0 GHADHO CCOc1ccc([C@H]2CCCN2C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252928726 1039266336 /nfs/dbraw/zinc/26/63/36/1039266336.db2.gz BEFZGRRXIPLZGL-RPWUZVMVSA-N 1 3 380.532 3.859 20 0 GHADHO CC[NH+]1CCC(CC2CCN(Cc3ccc(C(=O)OC)c(OC)c3)CC2)CC1 ZINC001233542303 1039428080 /nfs/dbraw/zinc/42/80/80/1039428080.db2.gz SNLXPCCYSCHCSG-UHFFFAOYSA-N 1 3 388.552 3.816 20 0 GHADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254260467 1040105797 /nfs/dbraw/zinc/10/57/97/1040105797.db2.gz CAIJWLSWODKOKP-IBGZPJMESA-N 1 3 393.572 3.641 20 0 GHADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254260467 1040105805 /nfs/dbraw/zinc/10/58/05/1040105805.db2.gz CAIJWLSWODKOKP-IBGZPJMESA-N 1 3 393.572 3.641 20 0 GHADHO CCCC[NH+]1CCC(N(C)[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254710856 1040470853 /nfs/dbraw/zinc/47/08/53/1040470853.db2.gz AOWVQFPOONAHMI-SFHVURJKSA-N 1 3 397.629 3.678 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](N1CCC([NH3+])(c3ccccc3)CC1)C2 ZINC001254770162 1040530959 /nfs/dbraw/zinc/53/09/59/1040530959.db2.gz LIZOTVIMEACJNF-LJQANCHMSA-N 1 3 385.552 3.726 20 0 GHADHO Brc1ccc2[nH]nc(CN3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235159088 1040653382 /nfs/dbraw/zinc/65/33/82/1040653382.db2.gz VHXURIWFFDAZIU-SFHVURJKSA-N 1 3 377.330 3.680 20 0 GHADHO Brc1ccc2n[nH]c(CN3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235159088 1040653390 /nfs/dbraw/zinc/65/33/90/1040653390.db2.gz VHXURIWFFDAZIU-SFHVURJKSA-N 1 3 377.330 3.680 20 0 GHADHO Brc1ccc2c(c1CN1CCCC[C@@H]1C1CC[NH2+]CC1)OCO2 ZINC001235159791 1040653967 /nfs/dbraw/zinc/65/39/67/1040653967.db2.gz OOMHXXOCYDQYJJ-MRXNPFEDSA-N 1 3 381.314 3.532 20 0 GHADHO COc1cc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)cc(OC)c1Br ZINC001235162524 1040654485 /nfs/dbraw/zinc/65/44/85/1040654485.db2.gz WDCWXBHDKYQBDZ-MRXNPFEDSA-N 1 3 397.357 3.820 20 0 GHADHO COc1ccnc(C2(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC001255130800 1040824933 /nfs/dbraw/zinc/82/49/33/1040824933.db2.gz ATKDVDYKGFSNGI-WKCHPHFGSA-N 1 3 377.532 3.907 20 0 GHADHO COc1ccnc(C2(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001255130800 1040824943 /nfs/dbraw/zinc/82/49/43/1040824943.db2.gz ATKDVDYKGFSNGI-WKCHPHFGSA-N 1 3 377.532 3.907 20 0 GHADHO Cc1cc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c(OCc2ccccc2)cc1C ZINC001235379227 1040900158 /nfs/dbraw/zinc/90/01/58/1040900158.db2.gz MOCJCGHFRAIDGR-JBRSBNLGSA-N 1 3 392.543 3.835 20 0 GHADHO O=C1N(Cc2cccc(F)c2)CC[C@@]12CCN(CCC[NH2+]C1CCCCC1)C2 ZINC001235491476 1040960097 /nfs/dbraw/zinc/96/00/97/1040960097.db2.gz RKTBAUOCSQRCMK-HSZRJFAPSA-N 1 3 387.543 3.563 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H](N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)C1 ZINC001255358406 1040960085 /nfs/dbraw/zinc/96/00/85/1040960085.db2.gz VALMNIUOHSJLJN-RBUKOAKNSA-N 1 3 381.520 3.787 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC[C@@H]1F ZINC001255399370 1040985718 /nfs/dbraw/zinc/98/57/18/1040985718.db2.gz QVBXPOHIXNTAEJ-CEXWTWQISA-N 1 3 388.449 3.768 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC[C@@H]1F ZINC001255399370 1040985733 /nfs/dbraw/zinc/98/57/33/1040985733.db2.gz QVBXPOHIXNTAEJ-CEXWTWQISA-N 1 3 388.449 3.768 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255400713 1040986236 /nfs/dbraw/zinc/98/62/36/1040986236.db2.gz MXKCDUMHXYVSNF-BHIFYINESA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255400713 1040986238 /nfs/dbraw/zinc/98/62/38/1040986238.db2.gz MXKCDUMHXYVSNF-BHIFYINESA-N 1 3 399.579 3.982 20 0 GHADHO CC(=O)N1CCCCC12CCN([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255405863 1040992586 /nfs/dbraw/zinc/99/25/86/1040992586.db2.gz ZKLBIHQHQQYJGX-QHCPKHFHSA-N 1 3 383.580 3.908 20 0 GHADHO CC(=O)N1CCCCC12CCN([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255405863 1040992596 /nfs/dbraw/zinc/99/25/96/1040992596.db2.gz ZKLBIHQHQQYJGX-QHCPKHFHSA-N 1 3 383.580 3.908 20 0 GHADHO CCN(CC)C(=O)NC1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255408710 1040994912 /nfs/dbraw/zinc/99/49/12/1040994912.db2.gz AZCVKFSMHIHNSE-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO CCN(CC)C(=O)NC1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255408710 1040994916 /nfs/dbraw/zinc/99/49/16/1040994916.db2.gz AZCVKFSMHIHNSE-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO Cc1nccnc1O[C@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409697 1040998279 /nfs/dbraw/zinc/99/82/79/1040998279.db2.gz LDCKKNHDMBSDFY-YADHBBJMSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1nccnc1O[C@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409697 1040998283 /nfs/dbraw/zinc/99/82/83/1040998283.db2.gz LDCKKNHDMBSDFY-YADHBBJMSA-N 1 3 380.536 3.683 20 0 GHADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](Cc3cc4c(s3)CCNC4)C[C@H]21 ZINC001235616835 1041036326 /nfs/dbraw/zinc/03/63/26/1041036326.db2.gz SEIZTYGLXAEDBM-MJGOQNOKSA-N 1 3 390.556 3.566 20 0 GHADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3cc4c(s3)CCNC4)C[C@H]21 ZINC001235616835 1041036373 /nfs/dbraw/zinc/03/63/73/1041036373.db2.gz SEIZTYGLXAEDBM-MJGOQNOKSA-N 1 3 390.556 3.566 20 0 GHADHO FC(F)(F)c1cccc(-n2cc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cn2)c1 ZINC001235887813 1041412978 /nfs/dbraw/zinc/41/29/78/1041412978.db2.gz JXNLNJWNTGZPSP-LJQANCHMSA-N 1 3 378.442 3.855 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N1C[C@H](C2(NC(=O)OC(C)(C)C)CC2)[C@H](CF)C1 ZINC001255958721 1041437036 /nfs/dbraw/zinc/43/70/36/1041437036.db2.gz FFGRJXWYYNAZGG-KSZLIROESA-N 1 3 385.568 3.682 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001255963471 1041444936 /nfs/dbraw/zinc/44/49/36/1041444936.db2.gz QRQBPHBAMARGBO-GOSISDBHSA-N 1 3 377.598 3.797 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001255963471 1041444940 /nfs/dbraw/zinc/44/49/40/1041444940.db2.gz QRQBPHBAMARGBO-GOSISDBHSA-N 1 3 377.598 3.797 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001255963471 1041444950 /nfs/dbraw/zinc/44/49/50/1041444950.db2.gz QRQBPHBAMARGBO-GOSISDBHSA-N 1 3 377.598 3.797 20 0 GHADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001236080970 1041524762 /nfs/dbraw/zinc/52/47/62/1041524762.db2.gz JAKADTJZFHQRGV-UHFFFAOYSA-N 1 3 393.453 3.835 20 0 GHADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001236083170 1041525969 /nfs/dbraw/zinc/52/59/69/1041525969.db2.gz PPKYHARVELRHJX-UHFFFAOYSA-N 1 3 377.454 3.709 20 0 GHADHO [NH3+]Cc1cccc(CN(Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001236313239 1041667531 /nfs/dbraw/zinc/66/75/31/1041667531.db2.gz YNVRXBDSTFKPSL-VWLOTQADSA-N 1 3 399.538 3.949 20 0 GHADHO COC(=O)c1ccc(CN(Cc2ccc(F)cc2)CC2CC[NH2+]CC2)s1 ZINC001236383014 1041691366 /nfs/dbraw/zinc/69/13/66/1041691366.db2.gz QLNPRPQTXKZYQN-UHFFFAOYSA-N 1 3 376.497 3.676 20 0 GHADHO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401319 1041702670 /nfs/dbraw/zinc/70/26/70/1041702670.db2.gz OQPREXOWVXLQKR-KRWDZBQOSA-N 1 3 384.495 3.987 20 0 GHADHO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401319 1041702675 /nfs/dbraw/zinc/70/26/75/1041702675.db2.gz OQPREXOWVXLQKR-KRWDZBQOSA-N 1 3 384.495 3.987 20 0 GHADHO C[C@@H](Cc1ccc2c(c1)OCO2)CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401319 1041702682 /nfs/dbraw/zinc/70/26/82/1041702682.db2.gz OQPREXOWVXLQKR-KRWDZBQOSA-N 1 3 384.495 3.987 20 0 GHADHO CC(C)C1=NCCc2ccc(CN(Cc3ccncc3)[C@@H]3CCC[NH2+]C3)cc21 ZINC001236440154 1041711952 /nfs/dbraw/zinc/71/19/52/1041711952.db2.gz ORHHVNNUBDHMHI-JOCHJYFZSA-N 1 3 376.548 3.837 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256461174 1041742798 /nfs/dbraw/zinc/74/27/98/1041742798.db2.gz IARZOAIBHLXRLE-GGPKGHCWSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256461174 1041742803 /nfs/dbraw/zinc/74/28/03/1041742803.db2.gz IARZOAIBHLXRLE-GGPKGHCWSA-N 1 3 375.557 3.871 20 0 GHADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256461174 1041742809 /nfs/dbraw/zinc/74/28/09/1041742809.db2.gz IARZOAIBHLXRLE-GGPKGHCWSA-N 1 3 375.557 3.871 20 0 GHADHO Cc1ccc(CN2CCC(N3CC[C@H]([NH3+])C3)CC2)c(OCc2ccccc2)c1 ZINC001236619644 1041785727 /nfs/dbraw/zinc/78/57/27/1041785727.db2.gz ANAFWIQXXMKQOJ-QFIPXVFZSA-N 1 3 379.548 3.571 20 0 GHADHO CC(C)c1ccc(CN2CC[C@@H](N3CCC([NH3+])CC3)C2)c(Br)c1 ZINC001236622397 1041787779 /nfs/dbraw/zinc/78/77/79/1041787779.db2.gz MXYXQUDWFSGUTC-GOSISDBHSA-N 1 3 380.374 3.570 20 0 GHADHO Cc1cc(CN2CCC(N3CC[C@H]([NH3+])C3)CC2)c(OCc2ccccc2)cc1C ZINC001236621331 1041787799 /nfs/dbraw/zinc/78/77/99/1041787799.db2.gz KPYRQPZTHYFEKR-QHCPKHFHSA-N 1 3 393.575 3.880 20 0 GHADHO Cc1ccc(OCc2ccccc2)c(CN2CCC(N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001236622605 1041788907 /nfs/dbraw/zinc/78/89/07/1041788907.db2.gz QZXLMLBQHXKCHV-JOCHJYFZSA-N 1 3 379.548 3.571 20 0 GHADHO COc1cc(O)cc(OC)c1CN(Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236723728 1041857645 /nfs/dbraw/zinc/85/76/45/1041857645.db2.gz XAFLAJLYIJXTJK-WGSAOQKQSA-N 1 3 384.520 3.990 20 0 GHADHO COC(=O)c1cc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc(OC)c1 ZINC001236760019 1041876613 /nfs/dbraw/zinc/87/66/13/1041876613.db2.gz PBSPPNFECDXMOO-UHFFFAOYSA-N 1 3 398.503 3.563 20 0 GHADHO COC(=O)c1cc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc(OC)c1 ZINC001236760019 1041876615 /nfs/dbraw/zinc/87/66/15/1041876615.db2.gz PBSPPNFECDXMOO-UHFFFAOYSA-N 1 3 398.503 3.563 20 0 GHADHO CCOC(=O)Cc1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001237482658 1042228171 /nfs/dbraw/zinc/22/81/71/1042228171.db2.gz VLBMFSXCXCJVIW-UHFFFAOYSA-N 1 3 392.543 3.890 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccn3nccc3c1)CC2 ZINC001237537277 1042255228 /nfs/dbraw/zinc/25/52/28/1042255228.db2.gz FTPSJDSVUFNQKB-FQEVSTJZSA-N 1 3 396.560 3.651 20 0 GHADHO CCOc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)c(Br)cn1 ZINC001238408861 1042586846 /nfs/dbraw/zinc/58/68/46/1042586846.db2.gz LOVRIYNFKVPPEV-UHFFFAOYSA-N 1 3 382.346 3.551 20 0 GHADHO COc1cc(Cl)cc([C@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)c1OC ZINC001256681035 1043619518 /nfs/dbraw/zinc/61/95/18/1043619518.db2.gz IWBHTWLENBEJJK-OOHWJJMZSA-N 1 3 382.932 3.651 20 0 GHADHO Brc1ccc([C@H]2C[C@H]2[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256688717 1043624209 /nfs/dbraw/zinc/62/42/09/1043624209.db2.gz JHZOQDLMBIIQFF-CSODTCANSA-N 1 3 379.342 3.538 20 0 GHADHO COc1ccccc1CC1([NH3+])CCN([C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256798633 1043658258 /nfs/dbraw/zinc/65/82/58/1043658258.db2.gz BDCCRJAGPAKTFE-JTHBVZDNSA-N 1 3 380.532 3.951 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808116 1043664085 /nfs/dbraw/zinc/66/40/85/1043664085.db2.gz DSMDISNRPOJEQJ-NEWJYFPISA-N 1 3 384.564 3.587 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808116 1043664097 /nfs/dbraw/zinc/66/40/97/1043664097.db2.gz DSMDISNRPOJEQJ-NEWJYFPISA-N 1 3 384.564 3.587 20 0 GHADHO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856382 1043704526 /nfs/dbraw/zinc/70/45/26/1043704526.db2.gz HHZHEOYRKRLXRB-FQEVSTJZSA-N 1 3 388.556 3.628 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCC(N1CCC([NH+]3CCCC3)CC1)CC2 ZINC001257756786 1044145491 /nfs/dbraw/zinc/14/54/91/1044145491.db2.gz OPPXGLFNRPDPEF-UHFFFAOYSA-N 1 3 377.573 3.726 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCC([NH+]1CCC(N3CCCC3)CC1)CC2 ZINC001257756786 1044145492 /nfs/dbraw/zinc/14/54/92/1044145492.db2.gz OPPXGLFNRPDPEF-UHFFFAOYSA-N 1 3 377.573 3.726 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H]2C1 ZINC001257813767 1044194528 /nfs/dbraw/zinc/19/45/28/1044194528.db2.gz BZUANRFXCQCUBN-GLHSZLCASA-N 1 3 391.600 3.830 20 0 GHADHO CCN(C)C1CC[NH+]([C@@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818027 1044199208 /nfs/dbraw/zinc/19/92/08/1044199208.db2.gz CYZICOGDKADQAI-KNQAVFIVSA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@H+](C)C1CCN([C@@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818027 1044199214 /nfs/dbraw/zinc/19/92/14/1044199214.db2.gz CYZICOGDKADQAI-KNQAVFIVSA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@@H+](C)C1CCN([C@@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257818027 1044199217 /nfs/dbraw/zinc/19/92/17/1044199217.db2.gz CYZICOGDKADQAI-KNQAVFIVSA-N 1 3 379.589 3.972 20 0 GHADHO C[C@H](CN)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257977535 1044301104 /nfs/dbraw/zinc/30/11/04/1044301104.db2.gz SXPWYZGBIJIHLB-YZGWKJHDSA-N 1 3 375.557 3.524 20 0 GHADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257977535 1044301121 /nfs/dbraw/zinc/30/11/21/1044301121.db2.gz SXPWYZGBIJIHLB-YZGWKJHDSA-N 1 3 375.557 3.524 20 0 GHADHO COCCN(C)[C@@H](CNC1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC001258012145 1044338451 /nfs/dbraw/zinc/33/84/51/1044338451.db2.gz TYEQOBYDMTWHAA-NRFANRHFSA-N 1 3 381.992 3.669 20 0 GHADHO Fc1cccc(N2CCC([NH2+]CC3CCN(Cc4cccnc4)CC3)CC2)c1 ZINC001258416878 1044549986 /nfs/dbraw/zinc/54/99/86/1044549986.db2.gz OEPNDVAGMPEQLD-UHFFFAOYSA-N 1 3 382.527 3.691 20 0 GHADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC001294967576 1044857574 /nfs/dbraw/zinc/85/75/74/1044857574.db2.gz UGLQEJAQGRXQBC-WRHDZBKDSA-N 1 3 383.580 3.522 20 0 GHADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC001294967576 1044857596 /nfs/dbraw/zinc/85/75/96/1044857596.db2.gz UGLQEJAQGRXQBC-WRHDZBKDSA-N 1 3 383.580 3.522 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606660118 1047327280 /nfs/dbraw/zinc/32/72/80/1047327280.db2.gz QOHXSSVNVVRZLW-XZOQPEGZSA-N 1 3 398.595 3.701 20 0 GHADHO Cc1cc(Cl)c(CN2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)c(Cl)c1 ZINC001279340254 1047773426 /nfs/dbraw/zinc/77/34/26/1047773426.db2.gz CVNYTVFDLAOFDN-IYBDPMFKSA-N 1 3 398.378 3.534 20 0 GHADHO Cc1cc(Cl)c(CN2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)c(Cl)c1 ZINC001279340254 1047773432 /nfs/dbraw/zinc/77/34/32/1047773432.db2.gz CVNYTVFDLAOFDN-IYBDPMFKSA-N 1 3 398.378 3.534 20 0 GHADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1c(C)nn(C)c1Cl)CC2 ZINC001279412040 1047797544 /nfs/dbraw/zinc/79/75/44/1047797544.db2.gz FAQWIXDBIJZWHK-UHFFFAOYSA-N 1 3 393.988 3.635 20 0 GHADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1c(C)nn(C)c1Cl)CC2 ZINC001279412040 1047797549 /nfs/dbraw/zinc/79/75/49/1047797549.db2.gz FAQWIXDBIJZWHK-UHFFFAOYSA-N 1 3 393.988 3.635 20 0 GHADHO Cn1c(Br)ccc1CN1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279880714 1047979124 /nfs/dbraw/zinc/97/91/24/1047979124.db2.gz FGHIYXPWBXRHLB-IYBDPMFKSA-N 1 3 380.374 3.874 20 0 GHADHO Cn1c(Br)ccc1CN1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279880714 1047979128 /nfs/dbraw/zinc/97/91/28/1047979128.db2.gz FGHIYXPWBXRHLB-IYBDPMFKSA-N 1 3 380.374 3.874 20 0 GHADHO Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)cc1Cl ZINC001280115970 1048089321 /nfs/dbraw/zinc/08/93/21/1048089321.db2.gz RHVHFDJKCNVCPO-CALCHBBNSA-N 1 3 376.907 3.855 20 0 GHADHO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)cc1Cl ZINC001280115970 1048089343 /nfs/dbraw/zinc/08/93/43/1048089343.db2.gz RHVHFDJKCNVCPO-CALCHBBNSA-N 1 3 376.907 3.855 20 0 GHADHO C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1(c2ccccc2)CCCC1 ZINC001307693790 1049512498 /nfs/dbraw/zinc/51/24/98/1049512498.db2.gz XNZOKFWNLWHUOH-REWPJTCUSA-N 1 3 393.575 3.896 20 0 GHADHO c1cc(C[N@@H+](CCN2CCCCCC2)C2CCC2)ccc1CN1CCOCC1 ZINC001307811826 1049609087 /nfs/dbraw/zinc/60/90/87/1049609087.db2.gz QQBYOLVKBAGUGC-UHFFFAOYSA-N 1 3 385.596 3.749 20 0 GHADHO c1cc(C[N@H+](CCN2CCCCCC2)C2CCC2)ccc1CN1CCOCC1 ZINC001307811826 1049609093 /nfs/dbraw/zinc/60/90/93/1049609093.db2.gz QQBYOLVKBAGUGC-UHFFFAOYSA-N 1 3 385.596 3.749 20 0 GHADHO Cn1ncc2cc(C[NH2+]CC3CCN(Cc4ccccc4Cl)CC3)cnc21 ZINC001308251272 1049926926 /nfs/dbraw/zinc/92/69/26/1049926926.db2.gz NSSUFMNQLXLXBA-UHFFFAOYSA-N 1 3 383.927 3.624 20 0 GHADHO Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)c1ccccc1 ZINC001335468253 1052111374 /nfs/dbraw/zinc/11/13/74/1052111374.db2.gz CXKJSWCKBPGJFH-QENXHYHDSA-N 1 3 394.559 3.678 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NCCC(=O)Nc1ccccc1F)c1ccccc1O2 ZINC001335932976 1052204092 /nfs/dbraw/zinc/20/40/92/1052204092.db2.gz ALCSHKUVSZBHKI-HXUWFJFHSA-N 1 3 397.494 3.732 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC001312024534 1052535279 /nfs/dbraw/zinc/53/52/79/1052535279.db2.gz LJETXAOTWZFQAT-JOCHJYFZSA-N 1 3 398.595 3.701 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC001318194551 1054489213 /nfs/dbraw/zinc/48/92/13/1054489213.db2.gz UMFRJGAREAMMPW-JOCHJYFZSA-N 1 3 386.584 3.648 20 0 GHADHO C[C@@H](NCc1ccc(NC(=O)C2CC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC001319750374 1055442792 /nfs/dbraw/zinc/44/27/92/1055442792.db2.gz CNVAQPVENAJSHO-QGZVFWFLSA-N 1 3 381.520 3.826 20 0 GHADHO CCCOCc1ccccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849071757 1057581034 /nfs/dbraw/zinc/58/10/34/1057581034.db2.gz GEUMZTJXRRRRCI-UHFFFAOYSA-N 1 3 394.563 3.892 20 0 GHADHO COc1c(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)oc2ccccc21 ZINC000849090162 1057590329 /nfs/dbraw/zinc/59/03/29/1057590329.db2.gz SZXXGTNPMNITLC-UHFFFAOYSA-N 1 3 392.503 3.720 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc3c(s2)CNCC3)CC1 ZINC001340536724 1059967899 /nfs/dbraw/zinc/96/78/99/1059967899.db2.gz KFSGXDGHMVRWHE-INIZCTEOSA-N 1 3 375.582 3.511 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc3c(s2)CNCC3)CC1 ZINC001340536724 1059967902 /nfs/dbraw/zinc/96/79/02/1059967902.db2.gz KFSGXDGHMVRWHE-INIZCTEOSA-N 1 3 375.582 3.511 20 0 GHADHO C[C@H](C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001454545323 1061829433 /nfs/dbraw/zinc/82/94/33/1061829433.db2.gz ZRJRFQLIFUGGRJ-BASYENTBSA-N 1 3 385.474 3.686 20 0 GHADHO C[C@H](C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001454545323 1061829454 /nfs/dbraw/zinc/82/94/54/1061829454.db2.gz ZRJRFQLIFUGGRJ-BASYENTBSA-N 1 3 385.474 3.686 20 0 GHADHO C[NH+](C)[C@H](CC(=O)NC[C@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC001454848869 1061944928 /nfs/dbraw/zinc/94/49/28/1061944928.db2.gz LDYMWHIBALKSRN-DHIUTWEWSA-N 1 3 379.548 3.850 20 0 GHADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)N(C)C)cc1 ZINC001457464150 1063197649 /nfs/dbraw/zinc/19/76/49/1063197649.db2.gz NNANUWOKMPEGAA-VABKMULXSA-N 1 3 379.548 3.661 20 0 GHADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)N(C)C)cc1 ZINC001457464150 1063197661 /nfs/dbraw/zinc/19/76/61/1063197661.db2.gz NNANUWOKMPEGAA-VABKMULXSA-N 1 3 379.548 3.661 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC001459476332 1064108832 /nfs/dbraw/zinc/10/88/32/1064108832.db2.gz KBPXJFUEGUVOJE-VWLOTQADSA-N 1 3 395.591 3.852 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC001459476332 1064108838 /nfs/dbraw/zinc/10/88/38/1064108838.db2.gz KBPXJFUEGUVOJE-VWLOTQADSA-N 1 3 395.591 3.852 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)C1CCCC1)c1ccccc1 ZINC001459708202 1064179988 /nfs/dbraw/zinc/17/99/88/1064179988.db2.gz UOXLIQKOXSVMEH-UPVQGACJSA-N 1 3 379.548 3.927 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC001477608501 1078489852 /nfs/dbraw/zinc/48/98/52/1078489852.db2.gz DNHVRFTVCRHZFQ-JWFWCLOMSA-N 1 3 392.632 3.649 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)N(C)C)cc1 ZINC001477650683 1078507866 /nfs/dbraw/zinc/50/78/66/1078507866.db2.gz OUEKNWYCPLHYBT-VJBMBRPKSA-N 1 3 396.579 3.897 20 0 GHADHO CN(C)C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1ccc(Cl)cc1 ZINC001467748663 1067449343 /nfs/dbraw/zinc/44/93/43/1067449343.db2.gz AOHVJOQJOZPFRI-IBGZPJMESA-N 1 3 394.991 3.897 20 0 GHADHO CN(C)C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1ccc(Cl)cc1 ZINC001467748664 1067450040 /nfs/dbraw/zinc/45/00/40/1067450040.db2.gz AOHVJOQJOZPFRI-LJQANCHMSA-N 1 3 394.991 3.897 20 0 GHADHO CC(C)[NH+]1CCC(CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC001468023899 1067570386 /nfs/dbraw/zinc/57/03/86/1067570386.db2.gz NUTNTKRVVYEOTR-LJQANCHMSA-N 1 3 392.613 3.695 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468349852 1067697424 /nfs/dbraw/zinc/69/74/24/1067697424.db2.gz GZVSGUZQMZKLPU-NFBKMPQASA-N 1 3 396.579 3.808 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468349852 1067697432 /nfs/dbraw/zinc/69/74/32/1067697432.db2.gz GZVSGUZQMZKLPU-NFBKMPQASA-N 1 3 396.579 3.808 20 0 GHADHO COc1cc(Cl)ccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849100693 1067727537 /nfs/dbraw/zinc/72/75/37/1067727537.db2.gz SQZQDCHWOZCLDG-UHFFFAOYSA-N 1 3 386.927 3.627 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001468947554 1067935577 /nfs/dbraw/zinc/93/55/77/1067935577.db2.gz PYKRHOICTPGNCB-OALUTQOASA-N 1 3 380.964 3.506 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001468947554 1067935579 /nfs/dbraw/zinc/93/55/79/1067935579.db2.gz PYKRHOICTPGNCB-OALUTQOASA-N 1 3 380.964 3.506 20 0 GHADHO CC1CC[NH+](CC[C@H]2CCCN2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001473717748 1074105234 /nfs/dbraw/zinc/10/52/34/1074105234.db2.gz ZOPMVYNHALSZSC-RPBOFIJWSA-N 1 3 399.623 3.864 20 0 GHADHO C[NH+]1CCN(C[C@H](NCc2cnc(C3CCCC3)s2)c2ccccc2)CC1 ZINC001473976670 1074224306 /nfs/dbraw/zinc/22/43/06/1074224306.db2.gz YQJOJOMVFVULJR-NRFANRHFSA-N 1 3 384.593 3.879 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC001473979060 1074224392 /nfs/dbraw/zinc/22/43/92/1074224392.db2.gz LBKKYMBRJXAOFE-GOSISDBHSA-N 1 3 393.531 3.531 20 0 GHADHO C[C@@H](CN1CCN(c2ccccc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001474017542 1074236529 /nfs/dbraw/zinc/23/65/29/1074236529.db2.gz GXYKQYVYAUQFEA-NRFANRHFSA-N 1 3 384.612 3.584 20 0 GHADHO C[NH+]1CCC(C)(CNCc2cc(OC(F)F)ccc2Br)CC1 ZINC001474082794 1074257628 /nfs/dbraw/zinc/25/76/28/1074257628.db2.gz ZVWQKLAJLHNAPK-UHFFFAOYSA-N 1 3 377.273 3.872 20 0 GHADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506057 1074437656 /nfs/dbraw/zinc/43/76/56/1074437656.db2.gz ZUZANMZAFVSJHX-IFMALSPDSA-N 1 3 399.579 3.896 20 0 GHADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506057 1074437659 /nfs/dbraw/zinc/43/76/59/1074437659.db2.gz ZUZANMZAFVSJHX-IFMALSPDSA-N 1 3 399.579 3.896 20 0 GHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506057 1074437662 /nfs/dbraw/zinc/43/76/62/1074437662.db2.gz ZUZANMZAFVSJHX-IFMALSPDSA-N 1 3 399.579 3.896 20 0 GHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506057 1074437667 /nfs/dbraw/zinc/43/76/67/1074437667.db2.gz ZUZANMZAFVSJHX-IFMALSPDSA-N 1 3 399.579 3.896 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc4c3NCCC4)C2)ccn1 ZINC001474641798 1074496093 /nfs/dbraw/zinc/49/60/93/1074496093.db2.gz HPMBMACFJGAJEU-QHCPKHFHSA-N 1 3 394.563 3.933 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc4c3NCCC4)C2)ccn1 ZINC001474641798 1074496095 /nfs/dbraw/zinc/49/60/95/1074496095.db2.gz HPMBMACFJGAJEU-QHCPKHFHSA-N 1 3 394.563 3.933 20 0 GHADHO FC(F)(F)c1cc(Br)cc(CNC[C@H]2C[NH+]3CCC2CC3)c1 ZINC001474735235 1074538747 /nfs/dbraw/zinc/53/87/47/1074538747.db2.gz LHLYSWXUQWSHJJ-ZDUSSCGKSA-N 1 3 377.248 3.899 20 0 GHADHO C[C@H]1C[C@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000557262745 834371709 /nfs/dbraw/zinc/37/17/09/834371709.db2.gz WENJRHQKOAUCCI-LAUBAEHRSA-N 1 3 385.939 3.713 20 0 GHADHO C[C@H]1C[C@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000557262745 834371720 /nfs/dbraw/zinc/37/17/20/834371720.db2.gz WENJRHQKOAUCCI-LAUBAEHRSA-N 1 3 385.939 3.713 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000536098135 834847774 /nfs/dbraw/zinc/84/77/74/834847774.db2.gz JAPBZZUTULKMCJ-PKTZIBPZSA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969287 835319541 /nfs/dbraw/zinc/31/95/41/835319541.db2.gz LVWOBYZNAMTTLW-BEFAXECRSA-N 1 3 375.463 3.827 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969287 835319551 /nfs/dbraw/zinc/31/95/51/835319551.db2.gz LVWOBYZNAMTTLW-BEFAXECRSA-N 1 3 375.463 3.827 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135359 835444658 /nfs/dbraw/zinc/44/46/58/835444658.db2.gz DHRPLABBJQDPNL-FPOVZHCZSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135359 835444666 /nfs/dbraw/zinc/44/46/66/835444666.db2.gz DHRPLABBJQDPNL-FPOVZHCZSA-N 1 3 386.923 3.910 20 0 GHADHO COc1cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc(OC)c1OC ZINC000658166107 835480718 /nfs/dbraw/zinc/48/07/18/835480718.db2.gz MLWHSSVHSHNWBY-KRWDZBQOSA-N 1 3 399.535 3.670 20 0 GHADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000658165726 835481331 /nfs/dbraw/zinc/48/13/31/835481331.db2.gz KYBYTKLDOWBUBT-OAQYLSRUSA-N 1 3 381.520 3.806 20 0 GHADHO Cc1c([C@H](C)NCC2CC[NH+](Cc3ccncc3)CC2)nnn1-c1ccccc1 ZINC000658166153 835482204 /nfs/dbraw/zinc/48/22/04/835482204.db2.gz MVFZXBODEUYXEA-SFHVURJKSA-N 1 3 390.535 3.534 20 0 GHADHO CCOCc1cc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1OC ZINC000179653987 835725609 /nfs/dbraw/zinc/72/56/09/835725609.db2.gz FBZDXLHEEBBQDD-RTBURBONSA-N 1 3 390.568 3.553 20 0 GHADHO COc1ccc([C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)N2CCCC2)cc1 ZINC000431654715 836174280 /nfs/dbraw/zinc/17/42/80/836174280.db2.gz SEHXFIPUHDUSKY-XZOQPEGZSA-N 1 3 395.547 3.641 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C[C@@H](C)O1 ZINC000549719650 844161446 /nfs/dbraw/zinc/16/14/46/844161446.db2.gz AZIVINWXCNUYQV-JFIYKMOQSA-N 1 3 395.385 3.785 20 0 GHADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000376389494 836916303 /nfs/dbraw/zinc/91/63/03/836916303.db2.gz WVRHHZWNXMHVFL-QZTJIDSGSA-N 1 3 375.582 3.608 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)cc1N(C)C ZINC000414304265 836991091 /nfs/dbraw/zinc/99/10/91/836991091.db2.gz MCPISABIADOMQQ-SFHVURJKSA-N 1 3 385.527 3.569 20 0 GHADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCCO2 ZINC000414309440 837014224 /nfs/dbraw/zinc/01/42/24/837014224.db2.gz RLWVAVPYSRCGPS-QFIPXVFZSA-N 1 3 396.531 3.526 20 0 GHADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCS2 ZINC000414309994 837034167 /nfs/dbraw/zinc/03/41/67/837034167.db2.gz SMTDCTVHTWVISE-NRFANRHFSA-N 1 3 398.572 3.849 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(Cl)s1 ZINC000414320025 837102051 /nfs/dbraw/zinc/10/20/51/837102051.db2.gz AXZVGQUMQZRNKA-CQSZACIVSA-N 1 3 391.968 3.950 20 0 GHADHO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548490942 844237017 /nfs/dbraw/zinc/23/70/17/844237017.db2.gz XIVZPDHZLYEVEJ-GPUOULLFSA-N 1 3 393.575 3.560 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1 ZINC000659028002 837292691 /nfs/dbraw/zinc/29/26/91/837292691.db2.gz KOMCUAAPZQEQKM-FCHUYYIVSA-N 1 3 396.535 3.552 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000582131445 838181134 /nfs/dbraw/zinc/18/11/34/838181134.db2.gz IEBSWSDEAOEOIT-BJKOFHAPSA-N 1 3 397.607 3.977 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000659364983 838326810 /nfs/dbraw/zinc/32/68/10/838326810.db2.gz CNLSCAIGELPSDK-QFIPXVFZSA-N 1 3 381.520 3.832 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000659364983 838326819 /nfs/dbraw/zinc/32/68/19/838326819.db2.gz CNLSCAIGELPSDK-QFIPXVFZSA-N 1 3 381.520 3.832 20 0 GHADHO CCN(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415975976 838353439 /nfs/dbraw/zinc/35/34/39/838353439.db2.gz QFWMBNDWIFNCGH-LJQANCHMSA-N 1 3 396.510 3.600 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)N2CCCC2)cc1 ZINC000659444684 838396469 /nfs/dbraw/zinc/39/64/69/838396469.db2.gz GVDDYXDAFMCJDF-DHIUTWEWSA-N 1 3 398.595 3.553 20 0 GHADHO Cc1cc(C)cc(-c2ccc(C[N@@H+]3CCC[C@@H](n4cc(CN)nn4)C3)cc2)c1 ZINC000415120016 839237537 /nfs/dbraw/zinc/23/75/37/839237537.db2.gz FQYWWQDHKPIBFI-HSZRJFAPSA-N 1 3 375.520 3.858 20 0 GHADHO Cc1cc(C)cc(-c2ccc(C[N@H+]3CCC[C@@H](n4cc(CN)nn4)C3)cc2)c1 ZINC000415120016 839237546 /nfs/dbraw/zinc/23/75/46/839237546.db2.gz FQYWWQDHKPIBFI-HSZRJFAPSA-N 1 3 375.520 3.858 20 0 GHADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)NC(c3ccccc3)c3ccccc3)C2)C1 ZINC000549840776 844439453 /nfs/dbraw/zinc/43/94/53/844439453.db2.gz ONYYEXYGCWONSY-RUZDIDTESA-N 1 3 391.559 3.700 20 0 GHADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)NC(c3ccccc3)c3ccccc3)C2)C1 ZINC000549840776 844439458 /nfs/dbraw/zinc/43/94/58/844439458.db2.gz ONYYEXYGCWONSY-RUZDIDTESA-N 1 3 391.559 3.700 20 0 GHADHO COc1cccc(-c2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)c1OC ZINC000580777343 840158982 /nfs/dbraw/zinc/15/89/82/840158982.db2.gz QMICEPISBLPNGC-OAHLLOKOSA-N 1 3 387.549 3.791 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)N(C)C)cc1 ZINC000416831296 840209117 /nfs/dbraw/zinc/20/91/17/840209117.db2.gz AVIBCCMCCAHDJI-VXKWHMMOSA-N 1 3 382.552 3.631 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000511710857 840543291 /nfs/dbraw/zinc/54/32/91/840543291.db2.gz ZHYPRNDFDAFBLJ-FQEVSTJZSA-N 1 3 393.522 3.525 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](C4CCCCC4)C3)CC2)CC1 ZINC000660575915 840947273 /nfs/dbraw/zinc/94/72/73/840947273.db2.gz YBPUGTGBWMNJPN-HXUWFJFHSA-N 1 3 390.616 3.547 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N(CCC)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418177569 841616219 /nfs/dbraw/zinc/61/62/19/841616219.db2.gz HVIGIZVGTHLSTD-HXUWFJFHSA-N 1 3 394.991 3.897 20 0 GHADHO C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc1)c1ccccc1 ZINC000656787642 841927910 /nfs/dbraw/zinc/92/79/10/841927910.db2.gz PYSYXQUJPOTWPL-ZCNNSNEGSA-N 1 3 395.547 3.675 20 0 GHADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000581660983 841930670 /nfs/dbraw/zinc/93/06/70/841930670.db2.gz SISHRRKQRYCJSL-VPSDZCSPSA-N 1 3 383.580 3.559 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H](c2cccnc2)C2CCCCC2)c1 ZINC000652147980 841995643 /nfs/dbraw/zinc/99/56/43/841995643.db2.gz JDQRQEBBUGSABM-HSZRJFAPSA-N 1 3 394.563 3.784 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000662388588 843169927 /nfs/dbraw/zinc/16/99/27/843169927.db2.gz RLSUVVXQYCGUSZ-INIZCTEOSA-N 1 3 383.561 3.698 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000662388588 843169932 /nfs/dbraw/zinc/16/99/32/843169932.db2.gz RLSUVVXQYCGUSZ-INIZCTEOSA-N 1 3 383.561 3.698 20 0 GHADHO CC(C)c1nc2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2o1 ZINC000548407354 843237949 /nfs/dbraw/zinc/23/79/49/843237949.db2.gz JUNXVLXWOMYQIL-UHFFFAOYSA-N 1 3 399.539 3.631 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662503882 843349377 /nfs/dbraw/zinc/34/93/77/843349377.db2.gz XPQNUIUKCAKXGS-XWGVYQGASA-N 1 3 389.543 3.734 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503882 843349390 /nfs/dbraw/zinc/34/93/90/843349390.db2.gz XPQNUIUKCAKXGS-XWGVYQGASA-N 1 3 389.543 3.734 20 0 GHADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000279783732 843374603 /nfs/dbraw/zinc/37/46/03/843374603.db2.gz UPHADMFIFKPWBG-UHFFFAOYSA-N 1 3 393.522 3.828 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000431029260 843452678 /nfs/dbraw/zinc/45/26/78/843452678.db2.gz ZXMMCXGURLQIOE-KBPBESRZSA-N 1 3 384.351 3.635 20 0 GHADHO CN(C)C[C@@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000418670293 843527912 /nfs/dbraw/zinc/52/79/12/843527912.db2.gz KGMDHEKYAURGGH-WOJBJXKFSA-N 1 3 388.943 3.722 20 0 GHADHO FC1(F)CCC[C@@H](CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444084 843818733 /nfs/dbraw/zinc/81/87/33/843818733.db2.gz KMQBWNZWYQPEPV-NHCUHLMSSA-N 1 3 377.523 3.704 20 0 GHADHO FC1(F)CCC[C@@H](CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444084 843818744 /nfs/dbraw/zinc/81/87/44/843818744.db2.gz KMQBWNZWYQPEPV-NHCUHLMSSA-N 1 3 377.523 3.704 20 0 GHADHO Fc1ccc2nc(CN3CCC(CCC[NH+]4CCOCC4)CC3)sc2c1 ZINC000432927341 844650587 /nfs/dbraw/zinc/65/05/87/844650587.db2.gz HDFXTTVOHORKMA-UHFFFAOYSA-N 1 3 377.529 3.760 20 0 GHADHO CCCCC[C@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000663877497 844728644 /nfs/dbraw/zinc/72/86/44/844728644.db2.gz XMADSWKFAKVOKQ-NRFANRHFSA-N 1 3 378.605 3.689 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000498590597 861548537 /nfs/dbraw/zinc/54/85/37/861548537.db2.gz IKNDIRYJOUHSNQ-PXNSSMCTSA-N 1 3 390.572 3.805 20 0 GHADHO Cc1cc(Cl)ccc1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023187 846558333 /nfs/dbraw/zinc/55/83/33/846558333.db2.gz SKXPVJIQWAQACX-UHFFFAOYSA-N 1 3 386.927 3.830 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@@H](COc2ccccc2)c2ccccc2)CC1 ZINC000501036675 846582964 /nfs/dbraw/zinc/58/29/64/846582964.db2.gz NQMLGBKFHRMCSB-DEOSSOPVSA-N 1 3 381.564 3.812 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000502896274 846589982 /nfs/dbraw/zinc/58/99/82/846589982.db2.gz UJJCUGDIWGLUEY-UNMCSNQZSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000502896274 846589991 /nfs/dbraw/zinc/58/99/91/846589991.db2.gz UJJCUGDIWGLUEY-UNMCSNQZSA-N 1 3 386.584 3.777 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501162884 846694172 /nfs/dbraw/zinc/69/41/72/846694172.db2.gz LBEUIDWXFLHPCL-ZIFCJYIRSA-N 1 3 380.602 3.693 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501162884 846694177 /nfs/dbraw/zinc/69/41/77/846694177.db2.gz LBEUIDWXFLHPCL-ZIFCJYIRSA-N 1 3 380.602 3.693 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657386700 846802120 /nfs/dbraw/zinc/80/21/20/846802120.db2.gz JJZJJQZTGQMRIK-YGOYIFOWSA-N 1 3 380.532 3.855 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657386700 846802130 /nfs/dbraw/zinc/80/21/30/846802130.db2.gz JJZJJQZTGQMRIK-YGOYIFOWSA-N 1 3 380.532 3.855 20 0 GHADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000272293591 847040157 /nfs/dbraw/zinc/04/01/57/847040157.db2.gz FQMMWDJCDFTKLX-BBTUJRGHSA-N 1 3 377.532 3.767 20 0 GHADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000272293591 847040167 /nfs/dbraw/zinc/04/01/67/847040167.db2.gz FQMMWDJCDFTKLX-BBTUJRGHSA-N 1 3 377.532 3.767 20 0 GHADHO [NH3+]C[C@H](NCCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCCCC1 ZINC000420356957 847137013 /nfs/dbraw/zinc/13/70/13/847137013.db2.gz CZWZJNCPYLWDOH-SIKLNZKXSA-N 1 3 385.577 3.841 20 0 GHADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCSCCOc1cccc(Br)c1 ZINC000422719281 847795192 /nfs/dbraw/zinc/79/51/92/847795192.db2.gz YHMWEDWXGVYEPL-SJORKVTESA-N 1 3 387.387 3.811 20 0 GHADHO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCCCC2)cc1 ZINC000422758090 847801850 /nfs/dbraw/zinc/80/18/50/847801850.db2.gz KFAZLMUQQMDRSE-HXOBKFHXSA-N 1 3 382.552 3.735 20 0 GHADHO COc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)N2CCCCC2)cc1 ZINC000422769883 847816180 /nfs/dbraw/zinc/81/61/80/847816180.db2.gz VLFMBGPIINFESF-IGKWTDBASA-N 1 3 381.564 3.770 20 0 GHADHO C[C@H](C[C@@H]1COCC[NH2+]1)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422788818 847820625 /nfs/dbraw/zinc/82/06/25/847820625.db2.gz NMNNIDPWGJNACE-GDBMZVCRSA-N 1 3 395.425 3.749 20 0 GHADHO FC(F)Oc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422763751 847823659 /nfs/dbraw/zinc/82/36/59/847823659.db2.gz PEGMHMFIUNERFD-BSDSXHPESA-N 1 3 379.495 3.767 20 0 GHADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422797296 847827622 /nfs/dbraw/zinc/82/76/22/847827622.db2.gz LWADSKQVCPJFLN-LIRRHRJNSA-N 1 3 380.941 3.550 20 0 GHADHO CC(C)C(=O)Nc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422788558 847837226 /nfs/dbraw/zinc/83/72/26/847837226.db2.gz AXBZQHBOYRIIFO-REWPJTCUSA-N 1 3 379.504 3.627 20 0 GHADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2ccc(CN)nc2C)CC1)c1ccccc1 ZINC000422839894 847849671 /nfs/dbraw/zinc/84/96/71/847849671.db2.gz ANRHUEPJPRIFNQ-VGSWGCGISA-N 1 3 394.563 3.684 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000611672166 847883101 /nfs/dbraw/zinc/88/31/01/847883101.db2.gz PUAWSPFFTNMRRM-IBGZPJMESA-N 1 3 390.597 3.545 20 0 GHADHO C[C@@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1CCCCN1 ZINC000422895067 847888711 /nfs/dbraw/zinc/88/87/11/847888711.db2.gz VETGBDXMJHSTSB-DNVCBOLYSA-N 1 3 380.374 3.534 20 0 GHADHO C[C@@H](NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422895067 847888720 /nfs/dbraw/zinc/88/87/20/847888720.db2.gz VETGBDXMJHSTSB-DNVCBOLYSA-N 1 3 380.374 3.534 20 0 GHADHO CCOC(=O)C1([C@H](C)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423022973 847943083 /nfs/dbraw/zinc/94/30/83/847943083.db2.gz IWEFVPHYCPWYAV-BBRMVZONSA-N 1 3 390.421 3.730 20 0 GHADHO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423030191 847945367 /nfs/dbraw/zinc/94/53/67/847945367.db2.gz JMTMCZFOUVKMMN-JBZDTAIVSA-N 1 3 392.469 3.752 20 0 GHADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H]3C[C@H](N)c4ccccc43)nc12 ZINC000423035148 847948641 /nfs/dbraw/zinc/94/86/41/847948641.db2.gz JAUBBLVBDIKLLF-ROUUACIJSA-N 1 3 385.309 3.682 20 0 GHADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596120 848291139 /nfs/dbraw/zinc/29/11/39/848291139.db2.gz LFLMREZFJPASKI-HXUWFJFHSA-N 1 3 378.438 3.870 20 0 GHADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596120 848291148 /nfs/dbraw/zinc/29/11/48/848291148.db2.gz LFLMREZFJPASKI-HXUWFJFHSA-N 1 3 378.438 3.870 20 0 GHADHO Cc1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n1-c1ccccc1 ZINC000657613535 848326043 /nfs/dbraw/zinc/32/60/43/848326043.db2.gz MVYQGMYDWXJMRN-UHFFFAOYSA-N 1 3 375.520 3.578 20 0 GHADHO c1cc(CN2CCC(C[NH2+]Cc3ccc4c(c3)OCCCCO4)CC2)ccn1 ZINC000657613946 848341355 /nfs/dbraw/zinc/34/13/55/848341355.db2.gz YDZIVJGDAREYHA-UHFFFAOYSA-N 1 3 381.520 3.635 20 0 GHADHO Brc1ccsc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613938 848342715 /nfs/dbraw/zinc/34/27/15/848342715.db2.gz XSTBFDAAYGRVFC-UHFFFAOYSA-N 1 3 380.355 3.907 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000535940288 849164488 /nfs/dbraw/zinc/16/44/88/849164488.db2.gz CSNXJWJHIAPZOK-UYAOXDASSA-N 1 3 392.613 3.504 20 0 GHADHO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583263673 849467395 /nfs/dbraw/zinc/46/73/95/849467395.db2.gz MUTURFILBCYWHR-YUELXQCFSA-N 1 3 380.414 3.748 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3C3CCCCC3)CC2)CC1 ZINC000583279950 849522507 /nfs/dbraw/zinc/52/25/07/849522507.db2.gz WYTNNGOUWWQNCI-QFIPXVFZSA-N 1 3 375.601 3.754 20 0 GHADHO CCC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC1 ZINC000555865983 862039128 /nfs/dbraw/zinc/03/91/28/862039128.db2.gz RIKDGKXMBYWMSL-UHFFFAOYSA-N 1 3 394.991 3.535 20 0 GHADHO C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486828169 850148763 /nfs/dbraw/zinc/14/87/63/850148763.db2.gz VBJGYBIPDGRIOG-NQIIRXRSSA-N 1 3 380.536 3.780 20 0 GHADHO C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486828169 850148771 /nfs/dbraw/zinc/14/87/71/850148771.db2.gz VBJGYBIPDGRIOG-NQIIRXRSSA-N 1 3 380.536 3.780 20 0 GHADHO C[NH+](C)CCOc1cc(CN[C@H](Cc2ccncc2)c2cccs2)ccn1 ZINC000424293494 850337834 /nfs/dbraw/zinc/33/78/34/850337834.db2.gz WPPMCFOHHJDVKH-LJQANCHMSA-N 1 3 382.533 3.552 20 0 GHADHO COC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCCC1 ZINC000514878575 850400489 /nfs/dbraw/zinc/40/04/89/850400489.db2.gz RTWZESWBLYVTAJ-QFIPXVFZSA-N 1 3 386.580 3.854 20 0 GHADHO CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC(OCCC[NH3+])CC1 ZINC000435368972 850435497 /nfs/dbraw/zinc/43/54/97/850435497.db2.gz CFLPWFUMFXLBFU-UHFFFAOYSA-N 1 3 384.568 3.559 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000518978813 850447131 /nfs/dbraw/zinc/44/71/31/850447131.db2.gz DPHNKUAEXMMQKF-UNMCSNQZSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000518978810 850447311 /nfs/dbraw/zinc/44/73/11/850447311.db2.gz DPHNKUAEXMMQKF-IFMALSPDSA-N 1 3 386.584 3.777 20 0 GHADHO CCCC[C@@H](CN)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000414807384 850630666 /nfs/dbraw/zinc/63/06/66/850630666.db2.gz CSMMJLKYHLLQDX-NSHDSACASA-N 1 3 381.261 3.666 20 0 GHADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)ccc1OC ZINC000519201260 850753013 /nfs/dbraw/zinc/75/30/13/850753013.db2.gz DLJGBCSGQIIBPX-FGTMMUONSA-N 1 3 391.556 3.616 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000513913051 851016299 /nfs/dbraw/zinc/01/62/99/851016299.db2.gz KZHWDACAOBWMQQ-JOCHJYFZSA-N 1 3 379.548 3.779 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000513913051 851016310 /nfs/dbraw/zinc/01/63/10/851016310.db2.gz KZHWDACAOBWMQQ-JOCHJYFZSA-N 1 3 379.548 3.779 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCc4c(C)cc(C)cc43)CC2)CC1 ZINC000515496957 851086011 /nfs/dbraw/zinc/08/60/11/851086011.db2.gz LLQXFOOGUHSALV-UHFFFAOYSA-N 1 3 383.580 3.779 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC000514126897 851266009 /nfs/dbraw/zinc/26/60/09/851266009.db2.gz NGZBYBSHKLOFEM-VWPQPMDRSA-N 1 3 388.600 3.655 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC000514126897 851266018 /nfs/dbraw/zinc/26/60/18/851266018.db2.gz NGZBYBSHKLOFEM-VWPQPMDRSA-N 1 3 388.600 3.655 20 0 GHADHO CCCCCOc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000415111798 851337153 /nfs/dbraw/zinc/33/71/53/851337153.db2.gz QZVYXZSRJUAPNF-OFNKIYASSA-N 1 3 390.568 3.983 20 0 GHADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1)N1CCCC1 ZINC000436295112 851430999 /nfs/dbraw/zinc/43/09/99/851430999.db2.gz RBBUTDWNGGWJCU-GNADVCDUSA-N 1 3 395.591 3.668 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000488532329 851589020 /nfs/dbraw/zinc/58/90/20/851589020.db2.gz NCIOGQUPCWLJFZ-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000488532329 851589030 /nfs/dbraw/zinc/58/90/30/851589030.db2.gz NCIOGQUPCWLJFZ-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000101792465 851915649 /nfs/dbraw/zinc/91/56/49/851915649.db2.gz WJZFLGWTFBLVSN-GMAHTHKFSA-N 1 3 398.595 3.557 20 0 GHADHO CCCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000101792465 851915659 /nfs/dbraw/zinc/91/56/59/851915659.db2.gz WJZFLGWTFBLVSN-GMAHTHKFSA-N 1 3 398.595 3.557 20 0 GHADHO CCCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000101779210 851916698 /nfs/dbraw/zinc/91/66/98/851916698.db2.gz AYAXOQYCRJZXJV-QHCPKHFHSA-N 1 3 398.595 3.699 20 0 GHADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000111799773 851947895 /nfs/dbraw/zinc/94/78/95/851947895.db2.gz DCQKAKHRTABTRV-IBGZPJMESA-N 1 3 392.613 3.693 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000517427468 851948969 /nfs/dbraw/zinc/94/89/69/851948969.db2.gz ZLCYUYRGAGPSSJ-XZOQPEGZSA-N 1 3 398.595 3.792 20 0 GHADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167981890 852019566 /nfs/dbraw/zinc/01/95/66/852019566.db2.gz ODTMJEYYGNISRF-NXEWRWPSSA-N 1 3 377.573 3.627 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000517539920 852069311 /nfs/dbraw/zinc/06/93/11/852069311.db2.gz HVJHUGSFKITDLB-CTNGQTDRSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000517539920 852069318 /nfs/dbraw/zinc/06/93/18/852069318.db2.gz HVJHUGSFKITDLB-CTNGQTDRSA-N 1 3 386.584 3.776 20 0 GHADHO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(C[NH+](C)C)CC1 ZINC000506863197 852278739 /nfs/dbraw/zinc/27/87/39/852278739.db2.gz VQFXVHSHKOOOMV-UHFFFAOYSA-N 1 3 391.357 3.717 20 0 GHADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000489901799 852635410 /nfs/dbraw/zinc/63/54/10/852635410.db2.gz XUNVOULHCZSKEO-UXHICEINSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000489901799 852635413 /nfs/dbraw/zinc/63/54/13/852635413.db2.gz XUNVOULHCZSKEO-UXHICEINSA-N 1 3 386.584 3.555 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)c2ccccc2C[NH+](C)C)N(C)C)cc1 ZINC000490492001 853049389 /nfs/dbraw/zinc/04/93/89/853049389.db2.gz KONMFBYJIKVXNN-HSZRJFAPSA-N 1 3 381.564 3.979 20 0 GHADHO C[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000491017256 853398550 /nfs/dbraw/zinc/39/85/50/853398550.db2.gz CRSWZQHEEOBEEF-HYBUGGRVSA-N 1 3 379.548 3.937 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000491017256 853398561 /nfs/dbraw/zinc/39/85/61/853398561.db2.gz CRSWZQHEEOBEEF-HYBUGGRVSA-N 1 3 379.548 3.937 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000518516439 853453498 /nfs/dbraw/zinc/45/34/98/853453498.db2.gz CJTRURJMSCNQJH-WMZHIEFXSA-N 1 3 377.532 3.848 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000518629062 853564368 /nfs/dbraw/zinc/56/43/68/853564368.db2.gz ZQFCEJVEYNEJLM-UXHICEINSA-N 1 3 392.613 3.791 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@@H](C(C)(C)C)CC3)CC2)CC1 ZINC000188177057 853819183 /nfs/dbraw/zinc/81/91/83/853819183.db2.gz JVVXELXDTPNDNU-MOPGFXCFSA-N 1 3 392.632 3.839 20 0 GHADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000073895195 853963670 /nfs/dbraw/zinc/96/36/70/853963670.db2.gz QKEZKJYJXPAFJB-INIZCTEOSA-N 1 3 375.340 3.538 20 0 GHADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000073895195 853963672 /nfs/dbraw/zinc/96/36/72/853963672.db2.gz QKEZKJYJXPAFJB-INIZCTEOSA-N 1 3 375.340 3.538 20 0 GHADHO C[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671764122 854541451 /nfs/dbraw/zinc/54/14/51/854541451.db2.gz XMEAWENDZUPBNV-HNNXBMFYSA-N 1 3 381.476 3.857 20 0 GHADHO CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168001750 855494536 /nfs/dbraw/zinc/49/45/36/855494536.db2.gz HDCNTDSAGRGTMH-CBQMWWCCSA-N 1 3 391.600 3.971 20 0 GHADHO CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168001750 855494543 /nfs/dbraw/zinc/49/45/43/855494543.db2.gz HDCNTDSAGRGTMH-CBQMWWCCSA-N 1 3 391.600 3.971 20 0 GHADHO CC1(C)[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC[C@]12c1ccccc1OC2=O ZINC001168001788 855507813 /nfs/dbraw/zinc/50/78/13/855507813.db2.gz HRYZDLNLIOSPRH-WIWXZXLPSA-N 1 3 380.532 3.733 20 0 GHADHO CC1(C)[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC[C@]12c1ccccc1OC2=O ZINC001168001788 855507823 /nfs/dbraw/zinc/50/78/23/855507823.db2.gz HRYZDLNLIOSPRH-WIWXZXLPSA-N 1 3 380.532 3.733 20 0 GHADHO CC1(C)N(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@]12c1ccccc1OC2=O ZINC001168001788 855507826 /nfs/dbraw/zinc/50/78/26/855507826.db2.gz HRYZDLNLIOSPRH-WIWXZXLPSA-N 1 3 380.532 3.733 20 0 GHADHO CC1(C)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@]12c1ccccc1OC2=O ZINC001168001788 855507833 /nfs/dbraw/zinc/50/78/33/855507833.db2.gz HRYZDLNLIOSPRH-WIWXZXLPSA-N 1 3 380.532 3.733 20 0 GHADHO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)C1 ZINC000186441185 855511320 /nfs/dbraw/zinc/51/13/20/855511320.db2.gz DHUTUTIIMPLLDM-YLJYHZDGSA-N 1 3 389.540 3.563 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000180974995 862697545 /nfs/dbraw/zinc/69/75/45/862697545.db2.gz NOKGEUKZXIBGGT-IBGZPJMESA-N 1 3 391.559 3.852 20 0 GHADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000520130122 855832898 /nfs/dbraw/zinc/83/28/98/855832898.db2.gz ZRXGFWSBJIGWLL-GOSISDBHSA-N 1 3 394.991 3.535 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@](C)(O)C(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000905128319 856177866 /nfs/dbraw/zinc/17/78/66/856177866.db2.gz QUYDVRCUYFZIMW-KMFMINBZSA-N 1 3 380.401 3.694 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@](C)(O)C(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000905128319 856177875 /nfs/dbraw/zinc/17/78/75/856177875.db2.gz QUYDVRCUYFZIMW-KMFMINBZSA-N 1 3 380.401 3.694 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccccc3C3CC3)c2)C1 ZINC000674334538 856178170 /nfs/dbraw/zinc/17/81/70/856178170.db2.gz UPWDWDPQUYPXDJ-JOCHJYFZSA-N 1 3 377.532 3.551 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccccc3C3CC3)c2)C1 ZINC000674334538 856178184 /nfs/dbraw/zinc/17/81/84/856178184.db2.gz UPWDWDPQUYPXDJ-JOCHJYFZSA-N 1 3 377.532 3.551 20 0 GHADHO C[N@@H+]1CCCN(CCCNCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000591716966 856210236 /nfs/dbraw/zinc/21/02/36/856210236.db2.gz CESZBTAVQOQBAZ-UHFFFAOYSA-N 1 3 378.973 3.581 20 0 GHADHO C[N@H+]1CCCN(CCCNCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000591716966 856210240 /nfs/dbraw/zinc/21/02/40/856210240.db2.gz CESZBTAVQOQBAZ-UHFFFAOYSA-N 1 3 378.973 3.581 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(OCc3ccccn3)c2)C[C@@H](C)O1 ZINC000067452724 856266809 /nfs/dbraw/zinc/26/68/09/856266809.db2.gz GBQSNOSHQNWUEY-WOJBJXKFSA-N 1 3 383.536 3.640 20 0 GHADHO CCCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000195426184 856398454 /nfs/dbraw/zinc/39/84/54/856398454.db2.gz UILCQIULNVASHJ-QHCPKHFHSA-N 1 3 383.580 3.764 20 0 GHADHO CN1CCC([NH+]2CCC(NCc3cccc(Oc4ccccn4)c3)CC2)CC1 ZINC000921628663 856431347 /nfs/dbraw/zinc/43/13/47/856431347.db2.gz QDOHMCGNIUGZIM-UHFFFAOYSA-N 1 3 380.536 3.522 20 0 GHADHO COc1ccc(C)cc1NC(=O)[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000656126923 856473241 /nfs/dbraw/zinc/47/32/41/856473241.db2.gz ALZISQJKBKSQHM-KPLVRAHFSA-N 1 3 381.520 3.613 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000674040586 862825369 /nfs/dbraw/zinc/82/53/69/862825369.db2.gz KVYYNUIUMIMPIY-HXUWFJFHSA-N 1 3 398.595 3.699 20 0 GHADHO COc1ccc(C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1OC ZINC000658163705 856894783 /nfs/dbraw/zinc/89/47/83/856894783.db2.gz ABCZYGGXSVTEIJ-SFHVURJKSA-N 1 3 397.563 3.840 20 0 GHADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000520792941 857054522 /nfs/dbraw/zinc/05/45/22/857054522.db2.gz JFSXOXGPCDCATB-GOSISDBHSA-N 1 3 377.548 3.617 20 0 GHADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000520792941 857054534 /nfs/dbraw/zinc/05/45/34/857054534.db2.gz JFSXOXGPCDCATB-GOSISDBHSA-N 1 3 377.548 3.617 20 0 GHADHO CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000703532902 857195707 /nfs/dbraw/zinc/19/57/07/857195707.db2.gz CKRYSBYKUPAECF-FQEVSTJZSA-N 1 3 387.568 3.793 20 0 GHADHO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000441994913 857422920 /nfs/dbraw/zinc/42/29/20/857422920.db2.gz ABIOEEPDCWPADW-BVVFMGSASA-N 1 3 385.596 3.566 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)Cc1ccccc1 ZINC000060581537 857461986 /nfs/dbraw/zinc/46/19/86/857461986.db2.gz ASVUPRDGQDISPA-DEOSSOPVSA-N 1 3 393.575 3.965 20 0 GHADHO CCO[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)C12CCCCC2 ZINC000676064113 857726355 /nfs/dbraw/zinc/72/63/55/857726355.db2.gz AZLDMTPRMYXKIH-LEWJYISDSA-N 1 3 375.557 3.630 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCCCC1 ZINC000521462445 858018212 /nfs/dbraw/zinc/01/82/12/858018212.db2.gz MBYNVAASRIDHIV-NRFANRHFSA-N 1 3 389.609 3.727 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000521510571 858063599 /nfs/dbraw/zinc/06/35/99/858063599.db2.gz BDFOQOYBCZFIBF-HSZRJFAPSA-N 1 3 396.579 3.937 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000521510571 858063606 /nfs/dbraw/zinc/06/36/06/858063606.db2.gz BDFOQOYBCZFIBF-HSZRJFAPSA-N 1 3 396.579 3.937 20 0 GHADHO CN1CCN(CC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1(C)C ZINC000442868137 858185210 /nfs/dbraw/zinc/18/52/10/858185210.db2.gz MXXBHOAPOFNZJL-SFHVURJKSA-N 1 3 398.364 3.655 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000594507606 858197010 /nfs/dbraw/zinc/19/70/10/858197010.db2.gz OCQBVEIFLDLBML-AKIFATBCSA-N 1 3 378.516 3.786 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000594507606 858197016 /nfs/dbraw/zinc/19/70/16/858197016.db2.gz OCQBVEIFLDLBML-AKIFATBCSA-N 1 3 378.516 3.786 20 0 GHADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442876655 858198646 /nfs/dbraw/zinc/19/86/46/858198646.db2.gz QAMKXPMRFFUQGN-LJQANCHMSA-N 1 3 396.417 3.776 20 0 GHADHO CN1CCN(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1(C)C ZINC000442891775 858213076 /nfs/dbraw/zinc/21/30/76/858213076.db2.gz SJTHBQCPRNYEBI-SFHVURJKSA-N 1 3 380.374 3.516 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)c1ccco1 ZINC000575085420 858578023 /nfs/dbraw/zinc/57/80/23/858578023.db2.gz MFYAJPJHUKNVPK-MAUKXSAKSA-N 1 3 383.492 3.947 20 0 GHADHO COC(=O)c1cccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000595900876 858712068 /nfs/dbraw/zinc/71/20/68/858712068.db2.gz OKUDMKXLYDZRAP-IBGZPJMESA-N 1 3 399.560 3.808 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315456 881346192 /nfs/dbraw/zinc/34/61/92/881346192.db2.gz LRINGZILJBDDMQ-QHCPKHFHSA-N 1 3 388.502 3.712 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315456 881346208 /nfs/dbraw/zinc/34/62/08/881346208.db2.gz LRINGZILJBDDMQ-QHCPKHFHSA-N 1 3 388.502 3.712 20 0 GHADHO COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000479062350 858825122 /nfs/dbraw/zinc/82/51/22/858825122.db2.gz PEAWARHCAUATAU-KNQAVFIVSA-N 1 3 380.532 3.845 20 0 GHADHO CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001126943872 858921941 /nfs/dbraw/zinc/92/19/41/858921941.db2.gz IVVUSTBCTKKCPK-ZEQRLZLVSA-N 1 3 391.559 3.632 20 0 GHADHO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001126943872 858921946 /nfs/dbraw/zinc/92/19/46/858921946.db2.gz IVVUSTBCTKKCPK-ZEQRLZLVSA-N 1 3 391.559 3.632 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466292454 859008778 /nfs/dbraw/zinc/00/87/78/859008778.db2.gz ANXQKTVIPPYQIO-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466292454 859008791 /nfs/dbraw/zinc/00/87/91/859008791.db2.gz ANXQKTVIPPYQIO-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000116536272 859020939 /nfs/dbraw/zinc/02/09/39/859020939.db2.gz ZKEHFYCEVJCHNX-FQEVSTJZSA-N 1 3 394.563 3.643 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)(N2CCCCC2)CC1 ZINC000625856932 859038134 /nfs/dbraw/zinc/03/81/34/859038134.db2.gz STRNZAYWZWFYPU-FGZHOGPDSA-N 1 3 383.580 3.637 20 0 GHADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000522338333 859078439 /nfs/dbraw/zinc/07/84/39/859078439.db2.gz LUEBZEGGZBUUJQ-RBUKOAKNSA-N 1 3 392.613 3.551 20 0 GHADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000522338333 859078449 /nfs/dbraw/zinc/07/84/49/859078449.db2.gz LUEBZEGGZBUUJQ-RBUKOAKNSA-N 1 3 392.613 3.551 20 0 GHADHO CCC1(Cc2ccccc2)CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000483120242 859149074 /nfs/dbraw/zinc/14/90/74/859149074.db2.gz MAHGEAAVHPDZRC-UHFFFAOYSA-N 1 3 385.596 3.710 20 0 GHADHO Fc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1Br ZINC000657613335 859493974 /nfs/dbraw/zinc/49/39/74/859493974.db2.gz YXWCRPCQRVZWMA-UHFFFAOYSA-N 1 3 392.316 3.985 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(CC3=Cc4ccccc4OC3)C2)ccn1 ZINC000856561318 881445807 /nfs/dbraw/zinc/44/58/07/881445807.db2.gz SXMGIJKRGKROLU-HSZRJFAPSA-N 1 3 393.531 3.851 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(CC3=Cc4ccccc4OC3)C2)ccn1 ZINC000856561318 881445987 /nfs/dbraw/zinc/44/59/87/881445987.db2.gz SXMGIJKRGKROLU-HSZRJFAPSA-N 1 3 393.531 3.851 20 0 GHADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(-c4cccs4)s3)C2)[C@@H]1C(C)C ZINC000922395650 859906107 /nfs/dbraw/zinc/90/61/07/859906107.db2.gz XZVGCDULBPEMIA-HBXLWWENSA-N 1 3 391.606 3.831 20 0 GHADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(-c4cccs4)s3)C2)[C@@H]1C(C)C ZINC000922395650 859906118 /nfs/dbraw/zinc/90/61/18/859906118.db2.gz XZVGCDULBPEMIA-HBXLWWENSA-N 1 3 391.606 3.831 20 0 GHADHO Cc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c(N2CCOCC2)c1 ZINC000484306010 859946280 /nfs/dbraw/zinc/94/62/80/859946280.db2.gz WKZSXNJWATUXCS-HXUWFJFHSA-N 1 3 397.563 3.623 20 0 GHADHO C[N@H+](CCCN1CCCC1)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000499913196 860172128 /nfs/dbraw/zinc/17/21/28/860172128.db2.gz NFQCOLNRIUKDOY-UHFFFAOYSA-N 1 3 379.548 3.700 20 0 GHADHO C[N@@H+](CCCN1CCCC1)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000499913196 860172136 /nfs/dbraw/zinc/17/21/36/860172136.db2.gz NFQCOLNRIUKDOY-UHFFFAOYSA-N 1 3 379.548 3.700 20 0 GHADHO C[C@@H]1C[NH+](CCCCNCc2c(Cl)cccc2OC(F)F)C[C@@H](C)O1 ZINC000602911558 860344628 /nfs/dbraw/zinc/34/46/28/860344628.db2.gz WJILJMYESFMHFC-ZIAGYGMSSA-N 1 3 376.875 3.920 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)cccc2OC(F)F)C[C@@H](C)O1 ZINC000602911558 860344634 /nfs/dbraw/zinc/34/46/34/860344634.db2.gz WJILJMYESFMHFC-ZIAGYGMSSA-N 1 3 376.875 3.920 20 0 GHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000474602803 860446958 /nfs/dbraw/zinc/44/69/58/860446958.db2.gz UIBOKAGKPHRAOK-FCGDIQPGSA-N 1 3 378.557 3.675 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(N(C)C)c3)C2)ccn1 ZINC000856601054 881576336 /nfs/dbraw/zinc/57/63/36/881576336.db2.gz ZQHYHJLXNHBVIF-QHCPKHFHSA-N 1 3 382.552 3.641 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(N(C)C)c3)C2)ccn1 ZINC000856601054 881576353 /nfs/dbraw/zinc/57/63/53/881576353.db2.gz ZQHYHJLXNHBVIF-QHCPKHFHSA-N 1 3 382.552 3.641 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856606582 881585155 /nfs/dbraw/zinc/58/51/55/881585155.db2.gz LRJVAORSLPLWSY-DEOSSOPVSA-N 1 3 396.579 3.901 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856606582 881585165 /nfs/dbraw/zinc/58/51/65/881585165.db2.gz LRJVAORSLPLWSY-DEOSSOPVSA-N 1 3 396.579 3.901 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)C=CCCC4)CC2)CC1 ZINC000667858924 860928496 /nfs/dbraw/zinc/92/84/96/860928496.db2.gz AUGDKCQIYLPHTC-UHFFFAOYSA-N 1 3 382.552 3.716 20 0 GHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446047 861076840 /nfs/dbraw/zinc/07/68/40/861076840.db2.gz OIXLOVBQEXJQMJ-UONOGXRCSA-N 1 3 390.881 3.795 20 0 GHADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446047 861076846 /nfs/dbraw/zinc/07/68/46/861076846.db2.gz OIXLOVBQEXJQMJ-UONOGXRCSA-N 1 3 390.881 3.795 20 0 GHADHO C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445691 863132472 /nfs/dbraw/zinc/13/24/72/863132472.db2.gz BHDUFGPLMIEHSW-FYYLOGMGSA-N 1 3 393.575 3.738 20 0 GHADHO C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445691 863132481 /nfs/dbraw/zinc/13/24/81/863132481.db2.gz BHDUFGPLMIEHSW-FYYLOGMGSA-N 1 3 393.575 3.738 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445691 863132490 /nfs/dbraw/zinc/13/24/90/863132490.db2.gz BHDUFGPLMIEHSW-FYYLOGMGSA-N 1 3 393.575 3.738 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)[C@H](C)C1 ZINC000624226090 863193404 /nfs/dbraw/zinc/19/34/04/863193404.db2.gz JQDJGBJHYJGFRV-POAQFYNOSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)[C@H](C)C1 ZINC000624226090 863193413 /nfs/dbraw/zinc/19/34/13/863193413.db2.gz JQDJGBJHYJGFRV-POAQFYNOSA-N 1 3 397.966 3.784 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000482556560 863308024 /nfs/dbraw/zinc/30/80/24/863308024.db2.gz NPYDENRILIQZLI-PKTZIBPZSA-N 1 3 379.548 3.538 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000482556560 863308032 /nfs/dbraw/zinc/30/80/32/863308032.db2.gz NPYDENRILIQZLI-PKTZIBPZSA-N 1 3 379.548 3.538 20 0 GHADHO CC(C)C1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000444211540 863670734 /nfs/dbraw/zinc/67/07/34/863670734.db2.gz KSYOUDUARFBCKZ-UHFFFAOYSA-N 1 3 375.582 3.542 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCCC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000103298666 863944615 /nfs/dbraw/zinc/94/46/15/863944615.db2.gz YIPZFGWFKKLMHG-LJQANCHMSA-N 1 3 392.613 3.552 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172775752 863955678 /nfs/dbraw/zinc/95/56/78/863955678.db2.gz JMXFSOZTSSIYDN-QHCPKHFHSA-N 1 3 393.531 3.856 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172775752 863955688 /nfs/dbraw/zinc/95/56/88/863955688.db2.gz JMXFSOZTSSIYDN-QHCPKHFHSA-N 1 3 393.531 3.856 20 0 GHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000159049836 864019634 /nfs/dbraw/zinc/01/96/34/864019634.db2.gz JRXCAPWMXPVMIC-SFHVURJKSA-N 1 3 390.572 3.712 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000480701077 865135326 /nfs/dbraw/zinc/13/53/26/865135326.db2.gz DSBVIIUZNHMFBP-VWLOTQADSA-N 1 3 393.575 4.000 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000476545598 881844481 /nfs/dbraw/zinc/84/44/81/881844481.db2.gz WVVLVJYBMLERCS-IBGZPJMESA-N 1 3 392.613 3.840 20 0 GHADHO COc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)N2CCCC2)cc1 ZINC000480824676 865358556 /nfs/dbraw/zinc/35/85/56/865358556.db2.gz PRPPHCUBGWDMEX-OFNKIYASSA-N 1 3 399.579 3.603 20 0 GHADHO COc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)N2CCCC2)cc1 ZINC000480824676 865358574 /nfs/dbraw/zinc/35/85/74/865358574.db2.gz PRPPHCUBGWDMEX-OFNKIYASSA-N 1 3 399.579 3.603 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CCC2 ZINC000480914011 865498268 /nfs/dbraw/zinc/49/82/68/865498268.db2.gz UDJOZUCYRLSRJO-XMMPIXPASA-N 1 3 379.548 3.610 20 0 GHADHO CCS[C@H]1CCCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000481006639 865681902 /nfs/dbraw/zinc/68/19/02/865681902.db2.gz GJQBFYJWFGSQPY-NRFANRHFSA-N 1 3 389.609 3.506 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000899377084 865870292 /nfs/dbraw/zinc/87/02/92/865870292.db2.gz UADWYOIJYRGSIU-CVDCTZTESA-N 1 3 383.580 3.792 20 0 GHADHO CN(C)[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000619999474 866243535 /nfs/dbraw/zinc/24/35/35/866243535.db2.gz FRQULAQUCOULST-HSZRJFAPSA-N 1 3 394.563 3.501 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000582249058 866567777 /nfs/dbraw/zinc/56/77/77/866567777.db2.gz CTXFJSYZGOBEIG-HSZRJFAPSA-N 1 3 383.580 3.719 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000523150681 866771818 /nfs/dbraw/zinc/77/18/18/866771818.db2.gz VKPLMDOPJRKTRL-ZRBLBEILSA-N 1 3 398.595 3.699 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000523150681 866771829 /nfs/dbraw/zinc/77/18/29/866771829.db2.gz VKPLMDOPJRKTRL-ZRBLBEILSA-N 1 3 398.595 3.699 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000553143898 866874742 /nfs/dbraw/zinc/87/47/42/866874742.db2.gz SQROJXSTYRIIAC-UPVQGACJSA-N 1 3 397.607 3.710 20 0 GHADHO Cc1ccc(-n2cc(CNCC3(O)CC[NH+](C(C)C)CC3)c(C(C)(C)C)n2)cc1 ZINC000532373642 882065198 /nfs/dbraw/zinc/06/51/98/882065198.db2.gz VNBHRZIFTLEJRM-UHFFFAOYSA-N 1 3 398.595 3.803 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(OCc3ccccc3)c2)CC1 ZINC000154218232 867305585 /nfs/dbraw/zinc/30/55/85/867305585.db2.gz URCYQKNJOIFJCA-OAQYLSRUSA-N 1 3 381.564 3.944 20 0 GHADHO CC1CCN([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c2cccs2)CC1 ZINC000479217183 867370398 /nfs/dbraw/zinc/37/03/98/867370398.db2.gz ZWCYEEQJYRBYIO-OALUTQOASA-N 1 3 389.540 3.519 20 0 GHADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000479496319 867887279 /nfs/dbraw/zinc/88/72/79/867887279.db2.gz APGYGJGMUGBACG-UXHICEINSA-N 1 3 385.596 3.518 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000155627671 867989072 /nfs/dbraw/zinc/98/90/72/867989072.db2.gz LQEVWXDBNZOTHH-RHSMWYFYSA-N 1 3 386.367 3.823 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC000729585144 868156282 /nfs/dbraw/zinc/15/62/82/868156282.db2.gz OUNQVSXJPHSJQD-HSZRJFAPSA-N 1 3 396.579 3.755 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@H](C)C1 ZINC000156516678 868386708 /nfs/dbraw/zinc/38/67/08/868386708.db2.gz YNWZYUPKCBDRFK-DNVCBOLYSA-N 1 3 388.474 3.941 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccccc1Cl ZINC000553964501 868509424 /nfs/dbraw/zinc/50/94/24/868509424.db2.gz HMZRUZPQEJHNAS-NHCUHLMSSA-N 1 3 385.939 3.554 20 0 GHADHO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CCCN(C)C)s2)cc1OC ZINC000479858104 868610480 /nfs/dbraw/zinc/61/04/80/868610480.db2.gz IFSDOBGPHXFNAJ-CQSZACIVSA-N 1 3 377.554 3.662 20 0 GHADHO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c2ccccc21 ZINC000462450652 869458643 /nfs/dbraw/zinc/45/86/43/869458643.db2.gz DNKJJOLVCVUPOA-OAHLLOKOSA-N 1 3 385.939 3.887 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190952924 882317902 /nfs/dbraw/zinc/31/79/02/882317902.db2.gz RCQPAONFFGMNIJ-LBPRGKRZSA-N 1 3 394.810 3.527 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000524932546 869771285 /nfs/dbraw/zinc/77/12/85/869771285.db2.gz DTFJFMFRBUVCBD-GOSISDBHSA-N 1 3 386.584 3.602 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n(C)c1C ZINC000462785647 870075732 /nfs/dbraw/zinc/07/57/32/870075732.db2.gz QTFBWVSPTCNCTG-QZTJIDSGSA-N 1 3 397.563 3.888 20 0 GHADHO CC(=O)N1CC[C@@H](N[C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462815615 870144889 /nfs/dbraw/zinc/14/48/89/870144889.db2.gz YEPYKDGWNLZMJA-FGZHOGPDSA-N 1 3 375.532 3.589 20 0 GHADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC[C@H]21 ZINC000248050845 870273598 /nfs/dbraw/zinc/27/35/98/870273598.db2.gz WGASOYYJFVLNPH-XQBPLPMBSA-N 1 3 377.532 3.572 20 0 GHADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC[C@H]21 ZINC000248050845 870273606 /nfs/dbraw/zinc/27/36/06/870273606.db2.gz WGASOYYJFVLNPH-XQBPLPMBSA-N 1 3 377.532 3.572 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408631 870386558 /nfs/dbraw/zinc/38/65/58/870386558.db2.gz VSPDXQWMNLIPPO-BLKABHOGSA-N 1 3 398.595 3.602 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408631 870386609 /nfs/dbraw/zinc/38/66/09/870386609.db2.gz VSPDXQWMNLIPPO-BLKABHOGSA-N 1 3 398.595 3.602 20 0 GHADHO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248419234 870400090 /nfs/dbraw/zinc/40/00/90/870400090.db2.gz UUBGXVQETYZTKX-RIPRBREISA-N 1 3 389.543 3.572 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CCCO2 ZINC000248437905 870419515 /nfs/dbraw/zinc/41/95/15/870419515.db2.gz HKOXPFXLQNOXOX-GMAHTHKFSA-N 1 3 380.532 3.955 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CCCO2 ZINC000248437905 870419523 /nfs/dbraw/zinc/41/95/23/870419523.db2.gz HKOXPFXLQNOXOX-GMAHTHKFSA-N 1 3 380.532 3.955 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CSCCc2ccccc21 ZINC000248463314 870440682 /nfs/dbraw/zinc/44/06/82/870440682.db2.gz YWHNPGCDXSZKKU-GMAHTHKFSA-N 1 3 382.573 3.764 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CSCCc2ccccc21 ZINC000248463314 870440687 /nfs/dbraw/zinc/44/06/87/870440687.db2.gz YWHNPGCDXSZKKU-GMAHTHKFSA-N 1 3 382.573 3.764 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc(Br)cs1 ZINC000248738699 870616342 /nfs/dbraw/zinc/61/63/42/870616342.db2.gz PHMJVXKSTSWADU-VBNZEHGJSA-N 1 3 387.387 3.929 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC(C)(C)CC(C)(C)C2)CC1 ZINC001193103606 870886002 /nfs/dbraw/zinc/88/60/02/870886002.db2.gz JOMGMGQMBVCXRY-UHFFFAOYSA-N 1 3 385.596 3.834 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463191726 871097893 /nfs/dbraw/zinc/09/78/93/871097893.db2.gz NSXRIZYAAVSWEA-QUCCMNQESA-N 1 3 384.520 3.725 20 0 GHADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463191726 871097903 /nfs/dbraw/zinc/09/79/03/871097903.db2.gz NSXRIZYAAVSWEA-QUCCMNQESA-N 1 3 384.520 3.725 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131435 871223038 /nfs/dbraw/zinc/22/30/38/871223038.db2.gz URGAEQLQMJMKRA-CLWJZODNSA-N 1 3 399.526 3.580 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131435 871223052 /nfs/dbraw/zinc/22/30/52/871223052.db2.gz URGAEQLQMJMKRA-CLWJZODNSA-N 1 3 399.526 3.580 20 0 GHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(Br)cc1C(F)(F)F ZINC000539066642 871241724 /nfs/dbraw/zinc/24/17/24/871241724.db2.gz PIYUMUFFZDGGSH-FZMZJTMJSA-N 1 3 395.263 3.777 20 0 GHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(Br)cc1C(F)(F)F ZINC000539066642 871241741 /nfs/dbraw/zinc/24/17/41/871241741.db2.gz PIYUMUFFZDGGSH-FZMZJTMJSA-N 1 3 395.263 3.777 20 0 GHADHO Cc1ccc([C@@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C2CCCC2)o1 ZINC000540493356 871412328 /nfs/dbraw/zinc/41/23/28/871412328.db2.gz AHUZHZXDAHSFFJ-QFIPXVFZSA-N 1 3 383.536 3.901 20 0 GHADHO CCO[C@@H]1COCC[C@H]1NC[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169410000 871456713 /nfs/dbraw/zinc/45/67/13/871456713.db2.gz TZZPNJHZRJMNDE-RBZQAINGSA-N 1 3 382.548 3.686 20 0 GHADHO CCO[C@@H]1COCC[C@H]1NC[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169410000 871456726 /nfs/dbraw/zinc/45/67/26/871456726.db2.gz TZZPNJHZRJMNDE-RBZQAINGSA-N 1 3 382.548 3.686 20 0 GHADHO CCOC(=O)N1CCC[C@H](N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)CC1 ZINC001169669829 871738978 /nfs/dbraw/zinc/73/89/78/871738978.db2.gz VNSFIWGKWAJAJX-IBGZPJMESA-N 1 3 393.959 3.687 20 0 GHADHO CC(C)[C@@H]1C[C@@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000447537540 871802841 /nfs/dbraw/zinc/80/28/41/871802841.db2.gz WQJQUENWNNBBBP-XZOQPEGZSA-N 1 3 379.548 3.952 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477919200 872180771 /nfs/dbraw/zinc/18/07/71/872180771.db2.gz XDUBVFTXEIQUDD-KRWDZBQOSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477919200 872180779 /nfs/dbraw/zinc/18/07/79/872180779.db2.gz XDUBVFTXEIQUDD-KRWDZBQOSA-N 1 3 379.976 3.789 20 0 GHADHO COc1ccc(CN2CCC(CC[NH+](C)C)CC2)c(OCc2cccnc2)c1 ZINC000447736372 872225048 /nfs/dbraw/zinc/22/50/48/872225048.db2.gz LTSNKSVAPUMWQI-UHFFFAOYSA-N 1 3 383.536 3.833 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)CCC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000540811411 872233062 /nfs/dbraw/zinc/23/30/62/872233062.db2.gz OCPXCIKDSSXGTG-JOCHJYFZSA-N 1 3 386.584 3.587 20 0 GHADHO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182625177 872618823 /nfs/dbraw/zinc/61/88/23/872618823.db2.gz DUOVCFSOBLMQJM-QZTJIDSGSA-N 1 3 375.557 3.637 20 0 GHADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@@H]1C ZINC000619428824 872640872 /nfs/dbraw/zinc/64/08/72/872640872.db2.gz XMAROVHTUGJUSI-KTGVFUQPSA-N 1 3 384.564 3.855 20 0 GHADHO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000857926388 882643447 /nfs/dbraw/zinc/64/34/47/882643447.db2.gz UHOXIFIJYBKOAJ-ZACQAIPSSA-N 1 3 384.442 3.644 20 0 GHADHO C[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000527487618 873205656 /nfs/dbraw/zinc/20/56/56/873205656.db2.gz VADAABCLLBVAQW-WPYKKVEZSA-N 1 3 383.580 3.810 20 0 GHADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc(C)ccc1C ZINC000527727934 873504053 /nfs/dbraw/zinc/50/40/53/873504053.db2.gz SGNILOWIQIPMDM-JOCHJYFZSA-N 1 3 386.584 3.612 20 0 GHADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1Cl ZINC000448834090 874040597 /nfs/dbraw/zinc/04/05/97/874040597.db2.gz ICZIFUYPVOZQQN-UHFFFAOYSA-N 1 3 384.351 3.590 20 0 GHADHO COc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c2ccccc12 ZINC000541759509 874222094 /nfs/dbraw/zinc/22/20/94/874222094.db2.gz RNMNSCJCESBXEP-UHFFFAOYSA-N 1 3 381.564 3.698 20 0 GHADHO CN1CCC([NH+]2CCC(NCc3cnc(-c4ccccc4F)s3)CC2)CC1 ZINC000449109209 874482485 /nfs/dbraw/zinc/48/24/85/874482485.db2.gz VSUSZBXITABTCB-UHFFFAOYSA-N 1 3 388.556 3.597 20 0 GHADHO Cc1ccc(N2CC[C@H](N(C)CCC3CCN(c4cc[nH+]cc4)CC3)C2=O)cc1 ZINC000771451376 875252384 /nfs/dbraw/zinc/25/23/84/875252384.db2.gz CGZRDLXLMQAUGM-QHCPKHFHSA-N 1 3 392.547 3.734 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)(N2CCCCC2)CC1 ZINC000172750104 875898560 /nfs/dbraw/zinc/89/85/60/875898560.db2.gz BKYGPFKLMSMWNM-MOPGFXCFSA-N 1 3 389.971 3.510 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000785504817 876078705 /nfs/dbraw/zinc/07/87/05/876078705.db2.gz XWFKAZGOJZBBPA-DOTOQJQBSA-N 1 3 391.357 3.573 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2cc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000785504817 876078718 /nfs/dbraw/zinc/07/87/18/876078718.db2.gz XWFKAZGOJZBBPA-DOTOQJQBSA-N 1 3 391.357 3.573 20 0 GHADHO Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192725068 882998496 /nfs/dbraw/zinc/99/84/96/882998496.db2.gz PTERGWHJMCYQJQ-UHFFFAOYSA-N 1 3 397.611 3.645 20 0 GHADHO C[C@H](c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450642305 876699077 /nfs/dbraw/zinc/69/90/77/876699077.db2.gz IMSACKVMKQXRSF-MBOZVWFJSA-N 1 3 383.502 3.810 20 0 GHADHO CCCCn1nc(C)c(CNCC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000850344374 876833793 /nfs/dbraw/zinc/83/37/93/876833793.db2.gz GXMOPKNEILNBIY-UHFFFAOYSA-N 1 3 382.980 3.626 20 0 GHADHO CN(C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174126829 876845943 /nfs/dbraw/zinc/84/59/43/876845943.db2.gz FDVYGMAJWXLZFE-HSZRJFAPSA-N 1 3 394.563 3.554 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000850576257 877044830 /nfs/dbraw/zinc/04/48/30/877044830.db2.gz IODVOYIFGJLNCD-WMZHIEFXSA-N 1 3 392.547 3.607 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000850576257 877044846 /nfs/dbraw/zinc/04/48/46/877044846.db2.gz IODVOYIFGJLNCD-WMZHIEFXSA-N 1 3 392.547 3.607 20 0 GHADHO O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000850584676 877058041 /nfs/dbraw/zinc/05/80/41/877058041.db2.gz SZQFHGYPYIIXMR-UGNRZPKXSA-N 1 3 390.449 3.923 20 0 GHADHO CC[N@H+](CCCC(=O)Nc1cnccc1N(C)C)[C@@H](C)Cc1ccc(O)cc1 ZINC001183047414 912217792 /nfs/dbraw/zinc/21/77/92/912217792.db2.gz FALANHWQOUEDGU-KRWDZBQOSA-N 1 3 384.524 3.525 20 0 GHADHO CC[N@@H+](CCCC(=O)Nc1cnccc1N(C)C)[C@@H](C)Cc1ccc(O)cc1 ZINC001183047414 912217808 /nfs/dbraw/zinc/21/78/08/912217808.db2.gz FALANHWQOUEDGU-KRWDZBQOSA-N 1 3 384.524 3.525 20 0 GHADHO CC[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)[C@@H]2CC)c1 ZINC000451276218 877698226 /nfs/dbraw/zinc/69/82/26/877698226.db2.gz ZWSAFZGXVWTHIF-KNGAYFSHSA-N 1 3 394.987 3.526 20 0 GHADHO CC[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C[N@H+]2CC[C@H](CO)[C@@H]2CC)c1 ZINC000451276218 877698231 /nfs/dbraw/zinc/69/82/31/877698231.db2.gz ZWSAFZGXVWTHIF-KNGAYFSHSA-N 1 3 394.987 3.526 20 0 GHADHO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(CN2CC[C@H](CO)[C@@H]2CC)c1 ZINC000451276218 877698233 /nfs/dbraw/zinc/69/82/33/877698233.db2.gz ZWSAFZGXVWTHIF-KNGAYFSHSA-N 1 3 394.987 3.526 20 0 GHADHO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(CN2CC[C@H](CO)[C@@H]2CC)c1 ZINC000451276218 877698237 /nfs/dbraw/zinc/69/82/37/877698237.db2.gz ZWSAFZGXVWTHIF-KNGAYFSHSA-N 1 3 394.987 3.526 20 0 GHADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N(C)Cc1ccccc1 ZINC000455906953 878174787 /nfs/dbraw/zinc/17/47/87/878174787.db2.gz HSVRRIHYMUCPBE-VGSWGCGISA-N 1 3 380.536 3.878 20 0 GHADHO COC[C@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)[C@H]1CCCO1 ZINC000788620222 878215123 /nfs/dbraw/zinc/21/51/23/878215123.db2.gz VQXGIPWQLVMSMZ-PIPMEXSNSA-N 1 3 376.541 3.526 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000537953422 878578256 /nfs/dbraw/zinc/57/82/56/878578256.db2.gz SPJRUDXYLACACV-QFBILLFUSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000537953422 878578269 /nfs/dbraw/zinc/57/82/69/878578269.db2.gz SPJRUDXYLACACV-QFBILLFUSA-N 1 3 393.453 3.979 20 0 GHADHO CC(C)(C)OC(=O)NCC1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000853092935 878810477 /nfs/dbraw/zinc/81/04/77/878810477.db2.gz VYEGCGYSLURWBK-SKINQDTJSA-N 1 3 379.589 3.782 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC001183283013 912426722 /nfs/dbraw/zinc/42/67/22/912426722.db2.gz YUIPQMMGMGASFB-IXLJZWBNSA-N 1 3 399.579 3.790 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H](CC2CCC2)c2ccccc2)c1 ZINC000538394829 879414377 /nfs/dbraw/zinc/41/43/77/879414377.db2.gz QWZOUQOVVSBELD-HSZRJFAPSA-N 1 3 379.548 3.999 20 0 GHADHO O=C(c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1)N1CCCCC1 ZINC000246489770 879616090 /nfs/dbraw/zinc/61/60/90/879616090.db2.gz HAOALKICNODXCQ-GMAHTHKFSA-N 1 3 381.564 3.761 20 0 GHADHO O=C(c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1)N1CCCCC1 ZINC000246489770 879616091 /nfs/dbraw/zinc/61/60/91/879616091.db2.gz HAOALKICNODXCQ-GMAHTHKFSA-N 1 3 381.564 3.761 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000531532347 880038310 /nfs/dbraw/zinc/03/83/10/880038310.db2.gz XBJRLBIDKPATNB-UHFFFAOYSA-N 1 3 392.591 3.977 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000531693250 880348200 /nfs/dbraw/zinc/34/82/00/880348200.db2.gz ABVWXMQTQKSILC-AWEZNQCLSA-N 1 3 399.457 3.909 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453107268 880474206 /nfs/dbraw/zinc/47/42/06/880474206.db2.gz ICRZAMGIIDPWBL-WXFUMESZSA-N 1 3 399.623 3.909 20 0 GHADHO c1ncn(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@H]4CCC[C@@H]43)cc2)n1 ZINC000453109387 880477571 /nfs/dbraw/zinc/47/75/71/880477571.db2.gz PKTQAVIQWNGRRG-SGNDLWITSA-N 1 3 387.531 3.800 20 0 GHADHO Cc1cccc2c1ncc(C)c2N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000185273759 880526687 /nfs/dbraw/zinc/52/66/87/880526687.db2.gz OTHRKNCSJVTCFB-UHFFFAOYSA-N 1 3 394.563 3.670 20 0 GHADHO CC[C@H](CN[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000531941263 880799352 /nfs/dbraw/zinc/79/93/52/880799352.db2.gz YEJQWWZYVRCDJP-GDBMZVCRSA-N 1 3 387.446 3.766 20 0 GHADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453403560 880870284 /nfs/dbraw/zinc/87/02/84/880870284.db2.gz GWKZCZICURBRFY-OUJCMCIWSA-N 1 3 391.559 3.519 20 0 GHADHO CC(C)Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000532041490 880970802 /nfs/dbraw/zinc/97/08/02/880970802.db2.gz QJDPARMOVZFYOR-DEOSSOPVSA-N 1 3 393.575 3.872 20 0 GHADHO CC(C)Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000532041490 880970818 /nfs/dbraw/zinc/97/08/18/880970818.db2.gz QJDPARMOVZFYOR-DEOSSOPVSA-N 1 3 393.575 3.872 20 0 GHADHO CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001129677091 883118606 /nfs/dbraw/zinc/11/86/06/883118606.db2.gz BXPGDMWIXBEWIF-FCHUYYIVSA-N 1 3 397.538 3.688 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181704661 883173910 /nfs/dbraw/zinc/17/39/10/883173910.db2.gz OTXMWDJGNDOWME-TZIWHRDSSA-N 1 3 377.617 3.858 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181704661 883173920 /nfs/dbraw/zinc/17/39/20/883173920.db2.gz OTXMWDJGNDOWME-TZIWHRDSSA-N 1 3 377.617 3.858 20 0 GHADHO CC1(C)C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C(C)(C)O1 ZINC000551263753 883572244 /nfs/dbraw/zinc/57/22/44/883572244.db2.gz DNWWROCANQGSAR-RTWAWAEBSA-N 1 3 386.580 3.851 20 0 GHADHO Cc1ccc([C@@H](N[C@H]2CC23CC[NH2+]CC3)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000643535965 912730234 /nfs/dbraw/zinc/73/02/34/912730234.db2.gz QFILNNHQDQFTCH-VXKWHMMOSA-N 1 3 398.572 3.528 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)ccc21 ZINC000187264013 883773329 /nfs/dbraw/zinc/77/33/29/883773329.db2.gz XMIQXUBFQDYFAN-XMSQKQJNSA-N 1 3 383.561 3.830 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)ccc21 ZINC000187264013 883773344 /nfs/dbraw/zinc/77/33/44/883773344.db2.gz XMIQXUBFQDYFAN-XMSQKQJNSA-N 1 3 383.561 3.830 20 0 GHADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455870760 884642617 /nfs/dbraw/zinc/64/26/17/884642617.db2.gz XJTZVZMHVIGUCJ-HTAPYJJXSA-N 1 3 380.536 3.878 20 0 GHADHO CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)Cc1ccccc1 ZINC000455875708 885129027 /nfs/dbraw/zinc/12/90/27/885129027.db2.gz MRTLSMQDWXOJOB-IRLDBZIGSA-N 1 3 380.536 3.530 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)N(C)C)cc1 ZINC000072044307 885458760 /nfs/dbraw/zinc/45/87/60/885458760.db2.gz CNILQRPLRGDASO-XZOQPEGZSA-N 1 3 394.563 3.734 20 0 GHADHO CC(C)[C@@H](CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000532459646 885544210 /nfs/dbraw/zinc/54/42/10/885544210.db2.gz TWDPZATYXZZARD-FXAWDEMLSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)(O)c1ccccc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170527793 885563504 /nfs/dbraw/zinc/56/35/04/885563504.db2.gz CJHMFNHJSKYLNV-UHFFFAOYSA-N 1 3 377.532 3.824 20 0 GHADHO C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495444921 885830418 /nfs/dbraw/zinc/83/04/18/885830418.db2.gz OBJVOSSSOOHYQN-QEFHDYNCSA-N 1 3 391.559 3.676 20 0 GHADHO C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444921 885830430 /nfs/dbraw/zinc/83/04/30/885830430.db2.gz OBJVOSSSOOHYQN-QEFHDYNCSA-N 1 3 391.559 3.676 20 0 GHADHO CC1CC[NH+](Cc2ccc(-c3noc([C@H]4CN5CCC[C@H]5CO4)n3)cc2)CC1 ZINC000923824808 885998504 /nfs/dbraw/zinc/99/85/04/885998504.db2.gz IUTGTFHUMFEOIF-VQTJNVASSA-N 1 3 382.508 3.504 20 0 GHADHO C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001184405739 913192838 /nfs/dbraw/zinc/19/28/38/913192838.db2.gz WTHAPUWREPYOOK-MOMVYJMYSA-N 1 3 391.987 3.789 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866702935 889012811 /nfs/dbraw/zinc/01/28/11/889012811.db2.gz DYOJWGWJLPHOGR-HSZRJFAPSA-N 1 3 397.567 3.515 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866702935 889012822 /nfs/dbraw/zinc/01/28/22/889012822.db2.gz DYOJWGWJLPHOGR-HSZRJFAPSA-N 1 3 397.567 3.515 20 0 GHADHO CSc1ccc([C@H](CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)N(C)C)cc1 ZINC000868175533 889334754 /nfs/dbraw/zinc/33/47/54/889334754.db2.gz GUAIDOVQKQHEMW-ZCNNSNEGSA-N 1 3 384.549 3.648 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530891 913344721 /nfs/dbraw/zinc/34/47/21/913344721.db2.gz RRBGGXSTNCRGNZ-XZOQPEGZSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530891 913344766 /nfs/dbraw/zinc/34/47/66/913344766.db2.gz RRBGGXSTNCRGNZ-XZOQPEGZSA-N 1 3 382.548 3.545 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000644535746 913349765 /nfs/dbraw/zinc/34/97/65/913349765.db2.gz SBTSPLYJKNOHDQ-PZJWPPBQSA-N 1 3 379.548 3.951 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000644535746 913349783 /nfs/dbraw/zinc/34/97/83/913349783.db2.gz SBTSPLYJKNOHDQ-PZJWPPBQSA-N 1 3 379.548 3.951 20 0 GHADHO Cc1ccccc1C1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000126181008 890401384 /nfs/dbraw/zinc/40/13/84/890401384.db2.gz STAHZBOVNVIWSR-UHFFFAOYSA-N 1 3 397.607 3.872 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CSCCc4ccccc43)cc2)CC1 ZINC000126730540 890668982 /nfs/dbraw/zinc/66/89/82/890668982.db2.gz LITWWNJISXLSRL-QHCPKHFHSA-N 1 3 381.589 3.554 20 0 GHADHO Cc1sc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1Br ZINC000873103138 891470713 /nfs/dbraw/zinc/47/07/13/891470713.db2.gz XTFATVYHVVSBOC-INIZCTEOSA-N 1 3 395.366 3.675 20 0 GHADHO Cc1sc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Br ZINC000873103138 891470718 /nfs/dbraw/zinc/47/07/18/891470718.db2.gz XTFATVYHVVSBOC-INIZCTEOSA-N 1 3 395.366 3.675 20 0 GHADHO CCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000287878379 913574187 /nfs/dbraw/zinc/57/41/87/913574187.db2.gz ZBMHFSRQMJMKIZ-UHFFFAOYSA-N 1 3 378.948 3.583 20 0 GHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000611981598 893555090 /nfs/dbraw/zinc/55/50/90/893555090.db2.gz JPEJSGXQBUGODU-QFIPXVFZSA-N 1 3 379.548 3.950 20 0 GHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000611981598 893555112 /nfs/dbraw/zinc/55/51/12/893555112.db2.gz JPEJSGXQBUGODU-QFIPXVFZSA-N 1 3 379.548 3.950 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(CN3CCCC3=O)cc2)C[C@@H]1c1ccccc1 ZINC000556058437 893578620 /nfs/dbraw/zinc/57/86/20/893578620.db2.gz IQEVPMJFWIFECA-XZOQPEGZSA-N 1 3 377.532 3.734 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(CN3CCCC3=O)cc2)C[C@@H]1c1ccccc1 ZINC000556058437 893578638 /nfs/dbraw/zinc/57/86/38/893578638.db2.gz IQEVPMJFWIFECA-XZOQPEGZSA-N 1 3 377.532 3.734 20 0 GHADHO OCC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000459467075 893583646 /nfs/dbraw/zinc/58/36/46/893583646.db2.gz PYFQGEBLPBAZCM-LJQANCHMSA-N 1 3 390.325 3.526 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3ccccc3OC)CC2)CC1 ZINC000563372935 893673503 /nfs/dbraw/zinc/67/35/03/893673503.db2.gz CDLTUJPMLBXPPN-QFIPXVFZSA-N 1 3 399.579 3.555 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000459617062 893905860 /nfs/dbraw/zinc/90/58/60/893905860.db2.gz ITNOXWNBBCXBKF-HXUWFJFHSA-N 1 3 386.565 3.893 20 0 GHADHO C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000536864260 893960787 /nfs/dbraw/zinc/96/07/87/893960787.db2.gz RQVZOFYWBFUDSN-LJQANCHMSA-N 1 3 397.538 3.762 20 0 GHADHO Cc1cc(F)ccc1[C@H](C)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000815578372 894016392 /nfs/dbraw/zinc/01/63/92/894016392.db2.gz NCAKFSQXAVWJSS-PXNSSMCTSA-N 1 3 383.511 3.682 20 0 GHADHO Cc1cc(F)ccc1[C@H](C)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000815578372 894016414 /nfs/dbraw/zinc/01/64/14/894016414.db2.gz NCAKFSQXAVWJSS-PXNSSMCTSA-N 1 3 383.511 3.682 20 0 GHADHO C[N@@H+]1CCC[C@H](CCNCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000459729267 894118453 /nfs/dbraw/zinc/11/84/53/894118453.db2.gz IUVGNTIDOIOBJH-CQSZACIVSA-N 1 3 377.330 3.661 20 0 GHADHO C[N@H+]1CCC[C@H](CCNCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000459729267 894118501 /nfs/dbraw/zinc/11/85/01/894118501.db2.gz IUVGNTIDOIOBJH-CQSZACIVSA-N 1 3 377.330 3.661 20 0 GHADHO CC(C)CC[NH+]1CCC(CNCc2cn3ccc(Br)cc3n2)CC1 ZINC000563786654 894192104 /nfs/dbraw/zinc/19/21/04/894192104.db2.gz QNPHHTYFVYBNRK-UHFFFAOYSA-N 1 3 393.373 3.945 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000564619167 895127592 /nfs/dbraw/zinc/12/75/92/895127592.db2.gz PXPDFTXTLPXLDT-DHIUTWEWSA-N 1 3 383.580 3.752 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000565058772 895373820 /nfs/dbraw/zinc/37/38/20/895373820.db2.gz ZYKNHKMSGSIYBA-SFHVURJKSA-N 1 3 388.943 3.869 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000565190791 895450798 /nfs/dbraw/zinc/45/07/98/895450798.db2.gz MZJYOXLZDOOURH-QGZVFWFLSA-N 1 3 383.536 3.806 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(OCc2ccccc2)c1 ZINC000817902617 895954462 /nfs/dbraw/zinc/95/44/62/895954462.db2.gz VLUKAHNRQHUQIM-CJRSTVEYSA-N 1 3 380.532 3.809 20 0 GHADHO COc1ccc(OC)c([C@H](O)CNCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000818959832 896296720 /nfs/dbraw/zinc/29/67/20/896296720.db2.gz UQJUPNCGJUZSHC-WZONZLPQSA-N 1 3 398.547 3.901 20 0 GHADHO COc1ccc(OC)c([C@H](O)CNCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000818959832 896296731 /nfs/dbraw/zinc/29/67/31/896296731.db2.gz UQJUPNCGJUZSHC-WZONZLPQSA-N 1 3 398.547 3.901 20 0 GHADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819016413 896351163 /nfs/dbraw/zinc/35/11/63/896351163.db2.gz YVYZKKIKGTYYGR-RXVVDRJESA-N 1 3 392.465 3.893 20 0 GHADHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000881626917 896400079 /nfs/dbraw/zinc/40/00/79/896400079.db2.gz SEMYZAROGIFJRY-JOCHJYFZSA-N 1 3 398.595 3.551 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000566699573 896504270 /nfs/dbraw/zinc/50/42/70/896504270.db2.gz HFLHOVLAPWETNE-HXUWFJFHSA-N 1 3 394.563 3.602 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819282963 896525939 /nfs/dbraw/zinc/52/59/39/896525939.db2.gz DWFQSKHDYZFWHN-VWNXMTODSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819282963 896525958 /nfs/dbraw/zinc/52/59/58/896525958.db2.gz DWFQSKHDYZFWHN-VWNXMTODSA-N 1 3 382.548 3.545 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4sc(Cl)cc43)CC2)CC1 ZINC000567059575 896839986 /nfs/dbraw/zinc/83/99/86/896839986.db2.gz ANFILLXNGLYPLJ-QGZVFWFLSA-N 1 3 396.000 3.701 20 0 GHADHO COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCc1ccncc1 ZINC000289238547 914104179 /nfs/dbraw/zinc/10/41/79/914104179.db2.gz DNLMGNMFYCIPMY-WCRBZPEASA-N 1 3 381.520 3.726 20 0 GHADHO COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCc1ccncc1 ZINC000289238547 914104192 /nfs/dbraw/zinc/10/41/92/914104192.db2.gz DNLMGNMFYCIPMY-WCRBZPEASA-N 1 3 381.520 3.726 20 0 GHADHO C(C[C@@H]1CCOC1)CN1CCCC2(CCC[N@H+](CCC[C@@H]3CCOC3)C2)C1 ZINC000645917889 914123446 /nfs/dbraw/zinc/12/34/46/914123446.db2.gz DADHQGJWZUDVHW-WELAQSEPSA-N 1 3 378.601 3.798 20 0 GHADHO C(C[C@@H]1CCOC1)CN1CCCC2(CCC[N@@H+](CCC[C@@H]3CCOC3)C2)C1 ZINC000645917889 914123456 /nfs/dbraw/zinc/12/34/56/914123456.db2.gz DADHQGJWZUDVHW-WELAQSEPSA-N 1 3 378.601 3.798 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000568144253 897632309 /nfs/dbraw/zinc/63/23/09/897632309.db2.gz ANNCHUKYTWZOHX-QUCCMNQESA-N 1 3 393.531 3.970 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)Cc3ccc(C)cc3)CC2)CC1 ZINC000568199565 897669037 /nfs/dbraw/zinc/66/90/37/897669037.db2.gz BVYGIKCVCHQOKV-HXUWFJFHSA-N 1 3 385.596 3.581 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1c[nH]c3ncccc13)c1ccccc1O2 ZINC000568946292 898230546 /nfs/dbraw/zinc/23/05/46/898230546.db2.gz CCQLYWDRKPLGGQ-HXUWFJFHSA-N 1 3 376.504 3.683 20 0 GHADHO Brc1cccc(-c2cnc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000569461584 898684214 /nfs/dbraw/zinc/68/42/14/898684214.db2.gz XNLCSJYKLFAFRA-GASCZTMLSA-N 1 3 376.298 3.536 20 0 GHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761644 899568101 /nfs/dbraw/zinc/56/81/01/899568101.db2.gz CCSQZHLFJAFPAD-SJLPKXTDSA-N 1 3 378.442 3.807 20 0 GHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761644 899568109 /nfs/dbraw/zinc/56/81/09/899568109.db2.gz CCSQZHLFJAFPAD-SJLPKXTDSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761644 899568116 /nfs/dbraw/zinc/56/81/16/899568116.db2.gz CCSQZHLFJAFPAD-SJLPKXTDSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761644 899568124 /nfs/dbraw/zinc/56/81/24/899568124.db2.gz CCSQZHLFJAFPAD-SJLPKXTDSA-N 1 3 378.442 3.807 20 0 GHADHO CN1CC[NH+](C2CCN([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)CC2)CC1 ZINC001171082785 900115482 /nfs/dbraw/zinc/11/54/82/900115482.db2.gz NJEIRTHGVCBEII-GOSISDBHSA-N 1 3 382.379 3.563 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(F)c(C)c3)CC2)CC1 ZINC000573218963 900418232 /nfs/dbraw/zinc/41/82/32/900418232.db2.gz VCPVRPBOYJMCTQ-QGZVFWFLSA-N 1 3 375.532 3.508 20 0 GHADHO Cc1nccn1-c1ccc([C@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523756 901434405 /nfs/dbraw/zinc/43/44/05/901434405.db2.gz ZKSOOGGARFKFBE-RTFZILSDSA-N 1 3 382.552 3.599 20 0 GHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523756 901434417 /nfs/dbraw/zinc/43/44/17/901434417.db2.gz ZKSOOGGARFKFBE-RTFZILSDSA-N 1 3 382.552 3.599 20 0 GHADHO CC(C)c1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576512400 902069128 /nfs/dbraw/zinc/06/91/28/902069128.db2.gz TZRFWTUSEXBFOE-YADHBBJMSA-N 1 3 382.548 3.661 20 0 GHADHO CC(C)c1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576512400 902069134 /nfs/dbraw/zinc/06/91/34/902069134.db2.gz TZRFWTUSEXBFOE-YADHBBJMSA-N 1 3 382.548 3.661 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC000887613774 903148087 /nfs/dbraw/zinc/14/80/87/903148087.db2.gz SDPYLCJUSXTUII-UHFFFAOYSA-N 1 3 391.559 3.976 20 0 GHADHO CCc1nc2c(s1)[C@H](NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCC2 ZINC000132700950 903298147 /nfs/dbraw/zinc/29/81/47/903298147.db2.gz RAVLYFMSZZYJHU-LJQANCHMSA-N 1 3 385.577 3.829 20 0 GHADHO C[C@@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000150899509 904039655 /nfs/dbraw/zinc/03/96/55/904039655.db2.gz SWFQMCKFEGZRCL-QGZVFWFLSA-N 1 3 395.551 3.558 20 0 GHADHO COC(=O)c1ccc(OC)c(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001137248920 904112583 /nfs/dbraw/zinc/11/25/83/904112583.db2.gz MFDAYQDGZUHOQK-UHFFFAOYSA-N 1 3 396.531 3.826 20 0 GHADHO Cc1cc(N2CCC[C@H](N3CCOCC3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000579252251 904457668 /nfs/dbraw/zinc/45/76/68/904457668.db2.gz YONGFKAVFLJNKG-INIZCTEOSA-N 1 3 391.462 3.836 20 0 GHADHO CC(C)N(C)c1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655882 904778339 /nfs/dbraw/zinc/77/83/39/904778339.db2.gz NAVSTBDCEVAUEJ-PKTZIBPZSA-N 1 3 378.564 3.880 20 0 GHADHO CC(C)N(C)c1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655882 904778344 /nfs/dbraw/zinc/77/83/44/904778344.db2.gz NAVSTBDCEVAUEJ-PKTZIBPZSA-N 1 3 378.564 3.880 20 0 GHADHO CN1CC2(C1)CC[NH+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1)CC2 ZINC001171613146 904874056 /nfs/dbraw/zinc/87/40/56/904874056.db2.gz MUZQFQIDLLLVQF-QZTJIDSGSA-N 1 3 379.589 3.828 20 0 GHADHO CN1C(C)(C)CC([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)CC1(C)C ZINC001171626348 904889738 /nfs/dbraw/zinc/88/97/38/904889738.db2.gz ZPMFXBHQJKMJOU-UHFFFAOYSA-N 1 3 375.532 3.671 20 0 GHADHO CC1(C)C[C@H](N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001171963974 905171403 /nfs/dbraw/zinc/17/14/03/905171403.db2.gz GGZSWBMRMKLUTC-ROKPMTFOSA-N 1 3 393.531 3.527 20 0 GHADHO CC1(C)C[C@H](N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)CC[N@H+]1Cc1ccccc1 ZINC001171963974 905171410 /nfs/dbraw/zinc/17/14/10/905171410.db2.gz GGZSWBMRMKLUTC-ROKPMTFOSA-N 1 3 393.531 3.527 20 0 GHADHO CCC[NH+](CCC)CCN1CCN(C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171930785 905184655 /nfs/dbraw/zinc/18/46/55/905184655.db2.gz VLQFVZYXMLZHTG-UHFFFAOYSA-N 1 3 395.632 3.627 20 0 GHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CC[C@H](N4CCOCC4)CC2)C3)cc1 ZINC001172071663 905272932 /nfs/dbraw/zinc/27/29/32/905272932.db2.gz YCCPDBWFJMBWIF-OOWXZUILSA-N 1 3 397.607 3.805 20 0 GHADHO O=C1CCC[C@@]2(CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)N1 ZINC001172074213 905280807 /nfs/dbraw/zinc/28/08/07/905280807.db2.gz RIUXVKZSDNYBNN-NXYDZRKXSA-N 1 3 381.564 3.707 20 0 GHADHO O=C1CCC[C@@]2(CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)N1 ZINC001172074213 905280819 /nfs/dbraw/zinc/28/08/19/905280819.db2.gz RIUXVKZSDNYBNN-NXYDZRKXSA-N 1 3 381.564 3.707 20 0 GHADHO COCCC[NH+]1CCC(NC2(c3cccc(Br)c3)CCC2)CC1 ZINC001172245372 905443534 /nfs/dbraw/zinc/44/35/34/905443534.db2.gz STXFOZCZSACKEC-UHFFFAOYSA-N 1 3 381.358 3.919 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@H]2C1 ZINC001172536186 905639835 /nfs/dbraw/zinc/63/98/35/905639835.db2.gz MGKGABZWVXHRDP-QJUOVVKFSA-N 1 3 395.591 3.591 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584938 921165978 /nfs/dbraw/zinc/16/59/78/921165978.db2.gz OBMRYPXGDJXISD-GGAORHGYSA-N 1 3 398.547 3.628 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584938 921165983 /nfs/dbraw/zinc/16/59/83/921165983.db2.gz OBMRYPXGDJXISD-GGAORHGYSA-N 1 3 398.547 3.628 20 0 GHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172960612 906069996 /nfs/dbraw/zinc/06/99/96/906069996.db2.gz ZKGVWKFXXUTESW-SQNIBIBYSA-N 1 3 393.597 3.757 20 0 GHADHO OC1CC[NH+](CCCN[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000178522689 906354800 /nfs/dbraw/zinc/35/48/00/906354800.db2.gz ZGACSPLBCHCIJC-GOSISDBHSA-N 1 3 389.540 3.763 20 0 GHADHO CC(C)[N@H+](CCCN)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173384032 906412882 /nfs/dbraw/zinc/41/28/82/906412882.db2.gz NEXWOXFCLXAZSS-KZNAEPCWSA-N 1 3 398.588 3.514 20 0 GHADHO CC(C)[N@@H+](CCCN)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173384032 906412888 /nfs/dbraw/zinc/41/28/88/906412888.db2.gz NEXWOXFCLXAZSS-KZNAEPCWSA-N 1 3 398.588 3.514 20 0 GHADHO COc1ccc(C(=O)N2CCC([N@@H+]3CCCC[C@H]3CCN3CCCC3)CC2)cc1 ZINC001173407386 906433481 /nfs/dbraw/zinc/43/34/81/906433481.db2.gz ABHVGRVYRLZURP-NRFANRHFSA-N 1 3 399.579 3.640 20 0 GHADHO COc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@H]3CCN3CCCC3)CC2)cc1 ZINC001173407386 906433487 /nfs/dbraw/zinc/43/34/87/906433487.db2.gz ABHVGRVYRLZURP-NRFANRHFSA-N 1 3 399.579 3.640 20 0 GHADHO CCCCN(C)CCC[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173767129 906686855 /nfs/dbraw/zinc/68/68/55/906686855.db2.gz HYEANHHSXVLDCD-UHFFFAOYSA-N 1 3 383.939 3.795 20 0 GHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001173773850 906699633 /nfs/dbraw/zinc/69/96/33/906699633.db2.gz PFMYICONOJMLIF-IAGOWNOFSA-N 1 3 381.923 3.546 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000182236186 907165269 /nfs/dbraw/zinc/16/52/69/907165269.db2.gz XVZRHXXRCYOVFR-DYESRHJHSA-N 1 3 384.520 3.511 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000182236186 907165278 /nfs/dbraw/zinc/16/52/78/907165278.db2.gz XVZRHXXRCYOVFR-DYESRHJHSA-N 1 3 384.520 3.511 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCc2cccc3cccc1c32)c1ccccc1 ZINC001176336755 908040143 /nfs/dbraw/zinc/04/01/43/908040143.db2.gz UWQZICAHMDNNJR-DHIUTWEWSA-N 1 3 387.527 3.836 20 0 GHADHO Cc1c([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cnn1C(C)(C)C ZINC000191269965 908603009 /nfs/dbraw/zinc/60/30/09/908603009.db2.gz BURJHRZWUNDVDB-KRWDZBQOSA-N 1 3 384.568 3.754 20 0 GHADHO CN(C)Cc1ccsc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268044417 909750390 /nfs/dbraw/zinc/75/03/90/909750390.db2.gz RKWFNMBMAMUFRQ-UHFFFAOYSA-N 1 3 391.968 3.858 20 0 GHADHO CC[NH+]1CCC(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC1 ZINC001180177934 909975529 /nfs/dbraw/zinc/97/55/29/909975529.db2.gz ISMTVSHUSOBLKT-UHFFFAOYSA-N 1 3 384.593 3.660 20 0 GHADHO Cn1cnnc1C1CC[NH+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC000637940321 910008348 /nfs/dbraw/zinc/00/83/48/910008348.db2.gz GGGFFUDFCMPJIG-DEOSSOPVSA-N 1 3 395.595 3.933 20 0 GHADHO Cn1cnnc1C1CCN(C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000637940321 910008366 /nfs/dbraw/zinc/00/83/66/910008366.db2.gz GGGFFUDFCMPJIG-DEOSSOPVSA-N 1 3 395.595 3.933 20 0 GHADHO Cn1cnnc1C1CCN(C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000637940321 910008377 /nfs/dbraw/zinc/00/83/77/910008377.db2.gz GGGFFUDFCMPJIG-DEOSSOPVSA-N 1 3 395.595 3.933 20 0 GHADHO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028235 910206337 /nfs/dbraw/zinc/20/63/37/910206337.db2.gz HTWVLVBHNXVGEO-KRWDZBQOSA-N 1 3 377.598 3.522 20 0 GHADHO CC(C)(C)[C@]1(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639296504 910378806 /nfs/dbraw/zinc/37/88/06/910378806.db2.gz VFTRNZRELMONMB-RDPSFJRHSA-N 1 3 383.580 3.525 20 0 GHADHO CC(=O)NCc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639304572 910381178 /nfs/dbraw/zinc/38/11/78/910381178.db2.gz WZIWVPRRTNWAIH-LADGPHEKSA-N 1 3 377.532 3.780 20 0 GHADHO CC(=O)NCc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639304572 910381194 /nfs/dbraw/zinc/38/11/94/910381194.db2.gz WZIWVPRRTNWAIH-LADGPHEKSA-N 1 3 377.532 3.780 20 0 GHADHO c1ccc([C@H](CN2CCC[C@@H]3COCC[C@H]32)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516316 910480175 /nfs/dbraw/zinc/48/01/75/910480175.db2.gz QVVIPRJITMFSSM-JYSSUKAJSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@H](CN2CCC[C@@H]3COCC[C@H]32)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516316 910480183 /nfs/dbraw/zinc/48/01/83/910480183.db2.gz QVVIPRJITMFSSM-JYSSUKAJSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@@H](CN2CCC[C@@H]3COCC[C@@H]32)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000639516316 910480188 /nfs/dbraw/zinc/48/01/88/910480188.db2.gz QVVIPRJITMFSSM-JYSSUKAJSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@@H](CN2CCC[C@@H]3COCC[C@@H]32)C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000639516316 910480193 /nfs/dbraw/zinc/48/01/93/910480193.db2.gz QVVIPRJITMFSSM-JYSSUKAJSA-N 1 3 398.591 3.772 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2cccc(CO)c2)cc1OC ZINC000270413341 910555369 /nfs/dbraw/zinc/55/53/69/910555369.db2.gz CSRFGNUNCXXQFI-SFHVURJKSA-N 1 3 386.536 3.759 20 0 GHADHO CN1Cc2c(NC(=O)C34CC[NH+](CC3)CC4)cccc2[C@H](c2ccccc2)C1 ZINC001181550666 910834695 /nfs/dbraw/zinc/83/46/95/910834695.db2.gz LEXIKPTUKBGLIH-FQEVSTJZSA-N 1 3 375.516 3.688 20 0 GHADHO CCCOc1c(Br)cc(CNCc2ccc(C[NH3+])cc2)cc1OC ZINC000647552975 915321257 /nfs/dbraw/zinc/32/12/57/915321257.db2.gz GRQOWTPPIAMDHR-UHFFFAOYSA-N 1 3 393.325 3.995 20 0 GHADHO C[NH+]1CCC2(CC1)CN(CC(c1ccc(F)cc1)c1ccc(F)cc1)CCO2 ZINC000648072000 915507535 /nfs/dbraw/zinc/50/75/35/915507535.db2.gz GHWFAVRZLFDJLW-UHFFFAOYSA-N 1 3 386.486 3.893 20 0 GHADHO CO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(CN3CCC[C@H](OC)CC3)c2)CC1 ZINC000649421974 916150061 /nfs/dbraw/zinc/15/00/61/916150061.db2.gz YNXVTFVXQGUAGM-RTWAWAEBSA-N 1 3 378.532 3.828 20 0 GHADHO CO[C@@H]1CCC[N@H+](Cc2ccc(F)c(CN3CCC[C@H](OC)CC3)c2)CC1 ZINC000649421974 916150064 /nfs/dbraw/zinc/15/00/64/916150064.db2.gz YNXVTFVXQGUAGM-RTWAWAEBSA-N 1 3 378.532 3.828 20 0 GHADHO C[NH+](C)CCCOc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000649722604 916358834 /nfs/dbraw/zinc/35/88/34/916358834.db2.gz QKHUHRBGAWCCMO-DLBZAZTESA-N 1 3 388.430 3.703 20 0 GHADHO Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(OCC[NH+](C)C)c1 ZINC000649754040 916379634 /nfs/dbraw/zinc/37/96/34/916379634.db2.gz ASPLTGPESHZGBZ-GJZGRUSLSA-N 1 3 388.430 3.622 20 0 GHADHO O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000649758590 916383211 /nfs/dbraw/zinc/38/32/11/916383211.db2.gz QYRJAUKTPPAUNM-ZWKOTPCHSA-N 1 3 384.442 3.863 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000651207090 917512466 /nfs/dbraw/zinc/51/24/66/917512466.db2.gz HFZXPFPEFGJMOX-UHFFFAOYSA-N 1 3 397.607 3.563 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCc3ccccc3)CC(C)C)CC2)CC1 ZINC000654468686 919137865 /nfs/dbraw/zinc/13/78/65/919137865.db2.gz HWLGSZOOPZLDIK-UHFFFAOYSA-N 1 3 399.623 3.910 20 0 GHADHO CN(Cc1csc(-c2ccc(F)cc2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367686598 922266361 /nfs/dbraw/zinc/26/63/61/922266361.db2.gz URASQYMHBBRCHK-HXUWFJFHSA-N 1 3 388.556 3.550 20 0 GHADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000903127989 922796352 /nfs/dbraw/zinc/79/63/52/922796352.db2.gz PNWYCXOECBETQC-ITDBNAKBSA-N 1 3 379.552 3.702 20 0 GHADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000903127989 922796357 /nfs/dbraw/zinc/79/63/57/922796357.db2.gz PNWYCXOECBETQC-ITDBNAKBSA-N 1 3 379.552 3.702 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC ZINC000678282647 924706519 /nfs/dbraw/zinc/70/65/19/924706519.db2.gz CDMARDMGEKZQEM-IBGZPJMESA-N 1 3 390.568 3.949 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cnc3ccc(C)cc3c2)CC1 ZINC000411178808 926178058 /nfs/dbraw/zinc/17/80/58/926178058.db2.gz YRUWSRGPGIGREU-UHFFFAOYSA-N 1 3 396.579 3.603 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000411467873 926432147 /nfs/dbraw/zinc/43/21/47/926432147.db2.gz ZYYYWKWGJUFECG-OAQYLSRUSA-N 1 3 377.960 3.761 20 0 GHADHO CC[NH+](CC)CCOCCN[C@H]1CCCOc2ccc(Br)cc21 ZINC000544614166 929345784 /nfs/dbraw/zinc/34/57/84/929345784.db2.gz DQJGBMQLNMKAPI-KRWDZBQOSA-N 1 3 385.346 3.611 20 0 GHADHO C[C@H](NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000469757721 930139735 /nfs/dbraw/zinc/13/97/35/930139735.db2.gz NPCOIZSNVVNMQR-UAKAABGRSA-N 1 3 397.538 3.749 20 0 GHADHO CN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470735858 930868563 /nfs/dbraw/zinc/86/85/63/930868563.db2.gz DNNVYXITIZGDHV-HSZRJFAPSA-N 1 3 394.563 3.554 20 0 GHADHO O=C1O[C@H](CN[C@H]2CCCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925850194 931922519 /nfs/dbraw/zinc/92/25/19/931922519.db2.gz GTGJUZMUNWEQQT-HOCLYGCPSA-N 1 3 380.941 3.542 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000927156574 932434702 /nfs/dbraw/zinc/43/47/02/932434702.db2.gz LJUWSCCHKXVYMG-UDNBIFARSA-N 1 3 376.544 3.864 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000927156574 932434705 /nfs/dbraw/zinc/43/47/05/932434705.db2.gz LJUWSCCHKXVYMG-UDNBIFARSA-N 1 3 376.544 3.864 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(Cc4ccccc4)CCC3)CC2)CC1 ZINC000561290514 934025397 /nfs/dbraw/zinc/02/53/97/934025397.db2.gz ALENIGBNELGTRP-UHFFFAOYSA-N 1 3 397.607 3.712 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccccc1O2 ZINC001120559904 934473225 /nfs/dbraw/zinc/47/32/25/934473225.db2.gz YXPFYVMFWAKNQT-WOJBJXKFSA-N 1 3 386.923 3.951 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1O2 ZINC001120559904 934473231 /nfs/dbraw/zinc/47/32/31/934473231.db2.gz YXPFYVMFWAKNQT-WOJBJXKFSA-N 1 3 386.923 3.951 20 0 GHADHO COc1ccc(CSC[C@H](N)C(=O)NCC[PH+](C(C)C)C(C)C)cc1 ZINC001221254337 1032350213 /nfs/dbraw/zinc/35/02/13/1032350213.db2.gz KZSUTWSEPRPTCG-SFHVURJKSA-N 1 3 384.526 3.671 20 0 GHADHO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)CC1 ZINC001221394938 1032394831 /nfs/dbraw/zinc/39/48/31/1032394831.db2.gz JDGPYDJZTHSJAQ-FGTMMUONSA-N 1 3 385.474 3.865 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)N(C)C)cc1 ZINC001221537642 1032453566 /nfs/dbraw/zinc/45/35/66/1032453566.db2.gz PAVJRLHUAGZRLV-PMOQBDJRSA-N 1 3 394.563 3.560 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)N(C)C)cc1 ZINC001221537642 1032453567 /nfs/dbraw/zinc/45/35/67/1032453567.db2.gz PAVJRLHUAGZRLV-PMOQBDJRSA-N 1 3 394.563 3.560 20 0 GHADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149656 1032603075 /nfs/dbraw/zinc/60/30/75/1032603075.db2.gz WVMZLTCNBWZJNJ-WWNPGLIZSA-N 1 3 393.531 3.601 20 0 GHADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149656 1032603081 /nfs/dbraw/zinc/60/30/81/1032603081.db2.gz WVMZLTCNBWZJNJ-WWNPGLIZSA-N 1 3 393.531 3.601 20 0 GHADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149654 1032603889 /nfs/dbraw/zinc/60/38/89/1032603889.db2.gz WVMZLTCNBWZJNJ-MDNUFGMLSA-N 1 3 393.531 3.601 20 0 GHADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149654 1032603896 /nfs/dbraw/zinc/60/38/96/1032603896.db2.gz WVMZLTCNBWZJNJ-MDNUFGMLSA-N 1 3 393.531 3.601 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001204269123 1032711535 /nfs/dbraw/zinc/71/15/35/1032711535.db2.gz UZERSUJJWJTCMP-LJQANCHMSA-N 1 3 376.541 3.571 20 0 GHADHO C[NH+](C)C1(C)CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001228043222 1032750036 /nfs/dbraw/zinc/75/00/36/1032750036.db2.gz LYZYVOHLSRFMAH-WQMHRJNTSA-N 1 3 386.584 3.776 20 0 GHADHO CC[N@H+](Cc1ccc(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)cc1)C1CC1 ZINC000579063584 1020385978 /nfs/dbraw/zinc/38/59/78/1020385978.db2.gz MCFISZNTXCIIID-RTBURBONSA-N 1 3 379.508 3.576 20 0 GHADHO CC[N@@H+](Cc1ccc(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)cc1)C1CC1 ZINC000579063584 1020385989 /nfs/dbraw/zinc/38/59/89/1020385989.db2.gz MCFISZNTXCIIID-RTBURBONSA-N 1 3 379.508 3.576 20 0 GHADHO CCOC(=O)N[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(C)C ZINC000779440936 1020791429 /nfs/dbraw/zinc/79/14/29/1020791429.db2.gz RXRQHDUDKDAHKP-MYGLTJDJSA-N 1 3 387.568 3.932 20 0 GHADHO CCOC(=O)N[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000779440936 1020791437 /nfs/dbraw/zinc/79/14/37/1020791437.db2.gz RXRQHDUDKDAHKP-MYGLTJDJSA-N 1 3 387.568 3.932 20 0 GHADHO c1ccc(CN2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000834586137 1021282682 /nfs/dbraw/zinc/28/26/82/1021282682.db2.gz ZBEHTNKRKWRKAN-OJJQZRKESA-N 1 3 397.607 3.663 20 0 GHADHO COC(=O)c1cccc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)c1 ZINC001204652331 1033015474 /nfs/dbraw/zinc/01/54/74/1033015474.db2.gz LGZFDXSJUKYAGM-OAQYLSRUSA-N 1 3 382.504 3.943 20 0 GHADHO COC(=O)c1cccc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)c1 ZINC001204652331 1033015484 /nfs/dbraw/zinc/01/54/84/1033015484.db2.gz LGZFDXSJUKYAGM-OAQYLSRUSA-N 1 3 382.504 3.943 20 0 GHADHO COC(=O)c1cccc(C[NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)c1 ZINC001204652331 1033015499 /nfs/dbraw/zinc/01/54/99/1033015499.db2.gz LGZFDXSJUKYAGM-OAQYLSRUSA-N 1 3 382.504 3.943 20 0 GHADHO c1cn(-c2ccc(C[N@H+]3CCC[C@@]4(CCN(Cc5ccccc5)C4)C3)cc2)nn1 ZINC001137369716 1021983030 /nfs/dbraw/zinc/98/30/30/1021983030.db2.gz UMXLVNMTGNYTRF-XMMPIXPASA-N 1 3 387.531 3.755 20 0 GHADHO c1cn(-c2ccc(C[N@@H+]3CCC[C@@]4(CCN(Cc5ccccc5)C4)C3)cc2)nn1 ZINC001137369716 1021983051 /nfs/dbraw/zinc/98/30/51/1021983051.db2.gz UMXLVNMTGNYTRF-XMMPIXPASA-N 1 3 387.531 3.755 20 0 GHADHO Cc1ccc(F)cc1CN1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001140591589 1022025672 /nfs/dbraw/zinc/02/56/72/1022025672.db2.gz CZKPTNUWGPUFCG-DNVJHFABSA-N 1 3 390.543 3.614 20 0 GHADHO Cc1ccc(I)cc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001204742178 1033058544 /nfs/dbraw/zinc/05/85/44/1033058544.db2.gz JMAFMRAFAQVHNG-UHFFFAOYSA-N 1 3 384.305 3.565 20 0 GHADHO c1ccc(COc2cc(CN3CCCC4(CC[NH2+]CC4)C3)cc3c2OCO3)cc1 ZINC001204748503 1033062766 /nfs/dbraw/zinc/06/27/66/1033062766.db2.gz MSMBBPRQOZYEAZ-UHFFFAOYSA-N 1 3 394.515 3.960 20 0 GHADHO CC[NH+]1CCC(C(=O)N2CCN(C)C3(CCCCC3)C2)(c2ccccc2)CC1 ZINC001141152796 1023978936 /nfs/dbraw/zinc/97/89/36/1023978936.db2.gz DVBOEJNFZOLACV-UHFFFAOYSA-N 1 3 383.580 3.517 20 0 GHADHO CCOC(=O)[C@H]1CCCN(C2CC[NH+](Cc3c[nH]c4c3cccc4CC)CC2)C1 ZINC001138361697 1024727168 /nfs/dbraw/zinc/72/71/68/1024727168.db2.gz XAIQQJXYEPKERY-IBGZPJMESA-N 1 3 397.563 3.970 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138579174 1025059352 /nfs/dbraw/zinc/05/93/52/1025059352.db2.gz LQNXQUYOLWOLEO-UHFFFAOYSA-N 1 3 381.568 3.979 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138579174 1025059366 /nfs/dbraw/zinc/05/93/66/1025059366.db2.gz LQNXQUYOLWOLEO-UHFFFAOYSA-N 1 3 381.568 3.979 20 0 GHADHO C[N@@H+](Cc1ccccc1N1CCC(O)CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001138761840 1025318064 /nfs/dbraw/zinc/31/80/64/1025318064.db2.gz AJBGXUYVQXRZLJ-JOCHJYFZSA-N 1 3 393.575 3.602 20 0 GHADHO C[N@H+](Cc1ccccc1N1CCC(O)CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001138761840 1025318109 /nfs/dbraw/zinc/31/81/09/1025318109.db2.gz AJBGXUYVQXRZLJ-JOCHJYFZSA-N 1 3 393.575 3.602 20 0 GHADHO O=C(OCc1ccccc1)[C@@H](CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000839037821 1025537033 /nfs/dbraw/zinc/53/70/33/1025537033.db2.gz DMFUWJXGVGJPEY-QHCPKHFHSA-N 1 3 378.516 3.730 20 0 GHADHO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN2CCCC3(CCCC3)C2)c1C ZINC001141567485 1025580193 /nfs/dbraw/zinc/58/01/93/1025580193.db2.gz DLZHNVUOUGBESJ-UHFFFAOYSA-N 1 3 388.600 3.859 20 0 GHADHO CCOc1ccc(C)cc1CN1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001139604082 1026468398 /nfs/dbraw/zinc/46/83/98/1026468398.db2.gz NJUQMDMZKDONOE-UHFFFAOYSA-N 1 3 382.552 3.634 20 0 GHADHO CCOc1ccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1CC ZINC001139619401 1026485473 /nfs/dbraw/zinc/48/54/73/1026485473.db2.gz DBSHMZPUIYSRRR-ISKFKSNPSA-N 1 3 386.580 3.828 20 0 GHADHO CCOc1ccc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1CC ZINC001139619401 1026485482 /nfs/dbraw/zinc/48/54/82/1026485482.db2.gz DBSHMZPUIYSRRR-ISKFKSNPSA-N 1 3 386.580 3.828 20 0 GHADHO CN1CC[C@@]2(CC[N@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656069 1026517696 /nfs/dbraw/zinc/51/76/96/1026517696.db2.gz NAEWUEBKYFCVDM-OAQYLSRUSA-N 1 3 391.581 3.569 20 0 GHADHO CN1CC[C@@]2(CC[N@@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656069 1026517700 /nfs/dbraw/zinc/51/77/00/1026517700.db2.gz NAEWUEBKYFCVDM-OAQYLSRUSA-N 1 3 391.581 3.569 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccnc(F)c1)CC2 ZINC001139832080 1026653410 /nfs/dbraw/zinc/65/34/10/1026653410.db2.gz OFYVNYSYEVGFFS-QGZVFWFLSA-N 1 3 375.513 3.538 20 0 GHADHO CC(=O)Oc1ccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950501 1027744087 /nfs/dbraw/zinc/74/40/87/1027744087.db2.gz AKNBYAGYMNBHBL-OYDLWJJNSA-N 1 3 393.531 3.739 20 0 GHADHO CC(=O)Oc1ccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950501 1027744100 /nfs/dbraw/zinc/74/41/00/1027744100.db2.gz AKNBYAGYMNBHBL-OYDLWJJNSA-N 1 3 393.531 3.739 20 0 GHADHO CC(C)(C)CCN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC001142026748 1027913673 /nfs/dbraw/zinc/91/36/73/1027913673.db2.gz JEEDEIPRZHURHD-FQEVSTJZSA-N 1 3 389.559 3.618 20 0 GHADHO CC(C)(C)CCN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC001142026748 1027913685 /nfs/dbraw/zinc/91/36/85/1027913685.db2.gz JEEDEIPRZHURHD-FQEVSTJZSA-N 1 3 389.559 3.618 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843385656 1029953839 /nfs/dbraw/zinc/95/38/39/1029953839.db2.gz BIJSFWHRDXVDFK-QHAWAJNXSA-N 1 3 398.595 3.716 20 0 GHADHO CCOC(=O)[C@H]1CC2(CN1CCCc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC001222215746 1030011285 /nfs/dbraw/zinc/01/12/85/1030011285.db2.gz KSKFZFAHXMSFFS-GOSISDBHSA-N 1 3 398.469 3.645 20 0 GHADHO Nc1c(Cl)cc(Cl)cc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001461616657 1069643099 /nfs/dbraw/zinc/64/30/99/1069643099.db2.gz UGRBLHKVDVXWBA-UHFFFAOYSA-N 1 3 379.335 3.972 20 0 GHADHO c1[nH]nc2cccc(C[N@@H+]3[C@H](COCc4ccccc4)CCC34CCNCC4)c12 ZINC001222582844 1030212068 /nfs/dbraw/zinc/21/20/68/1030212068.db2.gz IFQRWNWBCSYAJT-NRFANRHFSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]nc2cccc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CCNCC4)c12 ZINC001222582844 1030212082 /nfs/dbraw/zinc/21/20/82/1030212082.db2.gz IFQRWNWBCSYAJT-NRFANRHFSA-N 1 3 390.531 3.866 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2Cc2cccc3c2CCN3)cc1 ZINC001222591293 1030218250 /nfs/dbraw/zinc/21/82/50/1030218250.db2.gz UFVHLINCBPSUAK-QFIPXVFZSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2Cc2cccc3c2CCN3)cc1 ZINC001222591293 1030218262 /nfs/dbraw/zinc/21/82/62/1030218262.db2.gz UFVHLINCBPSUAK-QFIPXVFZSA-N 1 3 391.559 3.958 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001223507490 1030610131 /nfs/dbraw/zinc/61/01/31/1030610131.db2.gz DRDJRKYHYNZJFW-PKOBYXMFSA-N 1 3 390.597 3.591 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001223507490 1030610135 /nfs/dbraw/zinc/61/01/35/1030610135.db2.gz DRDJRKYHYNZJFW-PKOBYXMFSA-N 1 3 390.597 3.591 20 0 GHADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1sc(Cl)c2ccccc21 ZINC001276937685 1030848672 /nfs/dbraw/zinc/84/86/72/1030848672.db2.gz FOJNWVVDTQUWCC-IAGOWNOFSA-N 1 3 391.968 3.682 20 0 GHADHO CN(C)CC[C@H](Oc1cccc2c1C(=O)CC1(CC[NH2+]CC1)O2)c1ccccc1 ZINC001218306155 1030881507 /nfs/dbraw/zinc/88/15/07/1030881507.db2.gz SNGPAUNVBOINRH-FQEVSTJZSA-N 1 3 394.515 3.846 20 0 GHADHO C[NH+]1CCC(c2ccc(NC(=O)[C@H](N)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC001218823146 1031098950 /nfs/dbraw/zinc/09/89/50/1031098950.db2.gz RVKDJVCQAVFVOA-IJBPVIJFSA-N 1 3 381.564 3.978 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001218847664 1031112618 /nfs/dbraw/zinc/11/26/18/1031112618.db2.gz NNOYMTVQVLTMTE-QHCPKHFHSA-N 1 3 394.563 3.637 20 0 GHADHO CC(C)(C[NH3+])c1ccc(NC(=O)C[C@H](N)c2cccc(C(F)(F)F)c2)cc1 ZINC001218895369 1031135722 /nfs/dbraw/zinc/13/57/22/1031135722.db2.gz NSZWEVZSPDHNJR-KRWDZBQOSA-N 1 3 379.426 3.970 20 0 GHADHO CN1Cc2c(NC(=O)[C@]3(C)CC(C)(C)C[NH2+]3)cccc2[C@@H](c2ccccc2)C1 ZINC001219047104 1031230175 /nfs/dbraw/zinc/23/01/75/1031230175.db2.gz QBGUVPQEVUWILA-DVECYGJZSA-N 1 3 377.532 3.981 20 0 GHADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2oc(-c3ccc(N)cc3)cc2c1 ZINC001219213066 1031308411 /nfs/dbraw/zinc/30/84/11/1031308411.db2.gz UOVFAEPPHWKNRP-IBGZPJMESA-N 1 3 380.492 3.680 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCCC2)N(C)C)cc1 ZINC001220494579 1031963359 /nfs/dbraw/zinc/96/33/59/1031963359.db2.gz PQPGFMMUPCXVHS-NRFANRHFSA-N 1 3 388.600 3.661 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1ccsc1 ZINC001220611944 1032012880 /nfs/dbraw/zinc/01/28/80/1032012880.db2.gz XQNWPGCFWSANSR-LJQANCHMSA-N 1 3 392.613 3.648 20 0 GHADHO CCOC(=O)N1CC[C@H]([NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001205457054 1033421069 /nfs/dbraw/zinc/42/10/69/1033421069.db2.gz OYFVAJFDAJHTSK-REWPJTCUSA-N 1 3 387.568 3.745 20 0 GHADHO CCOC(=O)N1CC[C@H](NC[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001205457054 1033421073 /nfs/dbraw/zinc/42/10/73/1033421073.db2.gz OYFVAJFDAJHTSK-REWPJTCUSA-N 1 3 387.568 3.745 20 0 GHADHO CCOC(=O)N1CC[C@H](NC[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001205457054 1033421078 /nfs/dbraw/zinc/42/10/78/1033421078.db2.gz OYFVAJFDAJHTSK-REWPJTCUSA-N 1 3 387.568 3.745 20 0 GHADHO CCC(=O)C1(c2cccc(O[C@H]3[C@@H]4CCC[C@H]3C[N@@H+](C)C4)c2)CCN(C)CC1 ZINC001229736843 1033675596 /nfs/dbraw/zinc/67/55/96/1033675596.db2.gz ISUAKANSMQLEPO-MOJGAOKDSA-N 1 3 384.564 3.738 20 0 GHADHO CCC(=O)C1(c2cccc(O[C@H]3[C@@H]4CCC[C@H]3C[N@H+](C)C4)c2)CCN(C)CC1 ZINC001229736843 1033675604 /nfs/dbraw/zinc/67/56/04/1033675604.db2.gz ISUAKANSMQLEPO-MOJGAOKDSA-N 1 3 384.564 3.738 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206013148 1033686194 /nfs/dbraw/zinc/68/61/94/1033686194.db2.gz PQVJBMKNWUEVEX-ZIAGYGMSSA-N 1 3 377.916 3.805 20 0 GHADHO [NH3+]CC1(c2ccccc2)CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001206755562 1033970598 /nfs/dbraw/zinc/97/05/98/1033970598.db2.gz MONCLYYGSMUDML-UHFFFAOYSA-N 1 3 379.426 3.515 20 0 GHADHO CC[C@@H](C)c1nc(Cl)c(C)c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158588894 1034179848 /nfs/dbraw/zinc/17/98/48/1034179848.db2.gz JFLKUNUEYUXBEW-CQSZACIVSA-N 1 3 379.980 3.605 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(CC[C@@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635352 1034501393 /nfs/dbraw/zinc/50/13/93/1034501393.db2.gz JEQLUBGELCKBIE-PMACEKPBSA-N 1 3 396.616 3.693 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(CC[C@@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635352 1034501400 /nfs/dbraw/zinc/50/14/00/1034501400.db2.gz JEQLUBGELCKBIE-PMACEKPBSA-N 1 3 396.616 3.693 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CC1CCSCC1)CC2 ZINC001207707525 1034537487 /nfs/dbraw/zinc/53/74/87/1034537487.db2.gz UVMQZDFZWNUOHV-SFHVURJKSA-N 1 3 380.623 3.947 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CC1CCSCC1)CC2 ZINC001207707524 1034537789 /nfs/dbraw/zinc/53/77/89/1034537789.db2.gz UVMQZDFZWNUOHV-GOSISDBHSA-N 1 3 380.623 3.947 20 0 GHADHO COC(=O)c1cc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)ccc1O ZINC001231422184 1034572534 /nfs/dbraw/zinc/57/25/34/1034572534.db2.gz SZWUFQVIEVGFKN-OAQYLSRUSA-N 1 3 398.503 3.648 20 0 GHADHO COC(=O)c1cc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)ccc1O ZINC001231422184 1034572537 /nfs/dbraw/zinc/57/25/37/1034572537.db2.gz SZWUFQVIEVGFKN-OAQYLSRUSA-N 1 3 398.503 3.648 20 0 GHADHO CCCc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc(C)n1 ZINC001159460177 1034606298 /nfs/dbraw/zinc/60/62/98/1034606298.db2.gz CUFYPFPWZPXKBU-UHFFFAOYSA-N 1 3 377.536 3.647 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)cnc3Cl)c3ccccc23)CC1 ZINC001159461713 1034607875 /nfs/dbraw/zinc/60/78/75/1034607875.db2.gz ZJVCCVVRCHRDIT-UHFFFAOYSA-N 1 3 390.318 3.693 20 0 GHADHO COc1cc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)nc2ccccc21 ZINC001159625344 1034693344 /nfs/dbraw/zinc/69/33/44/1034693344.db2.gz CLGFUYSDGDDDOC-MXVIHJGJSA-N 1 3 394.563 3.994 20 0 GHADHO CCOC(=O)C1CCN(Cc2cccc(Nc3cccc4c3CC[NH2+]C4)c2)CC1 ZINC001159714162 1034719943 /nfs/dbraw/zinc/71/99/43/1034719943.db2.gz OPGHLXRSNFUBKH-UHFFFAOYSA-N 1 3 393.531 3.851 20 0 GHADHO [NH3+]C1CCN(c2ccc(F)cc2NC2=CCN(Cc3ccccc3)CC2)CC1 ZINC001160079898 1034852055 /nfs/dbraw/zinc/85/20/55/1034852055.db2.gz QEAQICKTTOMTDT-UHFFFAOYSA-N 1 3 380.511 3.955 20 0 GHADHO Fc1c(CN2CCCCC2)cccc1Nc1ccccc1CN1CC[NH2+]CC1 ZINC001160299469 1034934145 /nfs/dbraw/zinc/93/41/45/1034934145.db2.gz WYLBRNCRQUFKMQ-UHFFFAOYSA-N 1 3 382.527 3.960 20 0 GHADHO Cc1cnc2n1CCC21CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208583322 1034940032 /nfs/dbraw/zinc/94/00/32/1034940032.db2.gz CIERWYASIUIXBV-JOCHJYFZSA-N 1 3 378.564 3.984 20 0 GHADHO Cc1cnc2n1CCC21CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208583322 1034940037 /nfs/dbraw/zinc/94/00/37/1034940037.db2.gz CIERWYASIUIXBV-JOCHJYFZSA-N 1 3 378.564 3.984 20 0 GHADHO CN(C)C(=O)C1CC[NH+](C2CCN(CCC(C)(C)c3ccccc3)CC2)CC1 ZINC001208666447 1034974977 /nfs/dbraw/zinc/97/49/77/1034974977.db2.gz MQJSXHVGRQOQIT-UHFFFAOYSA-N 1 3 385.596 3.619 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCCc3ccccc3Cl)C2)C1 ZINC001208874360 1035071459 /nfs/dbraw/zinc/07/14/59/1035071459.db2.gz PSEFPMGHXUOABD-IFMALSPDSA-N 1 3 376.972 3.953 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCCc3ccccc3Cl)C2)C1 ZINC001208874360 1035071469 /nfs/dbraw/zinc/07/14/69/1035071469.db2.gz PSEFPMGHXUOABD-IFMALSPDSA-N 1 3 376.972 3.953 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cc3ncccc3[nH]1)CC2 ZINC001232064789 1035074617 /nfs/dbraw/zinc/07/46/17/1035074617.db2.gz VKSTXCLQVMFQQI-NRFANRHFSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cc3ncccc3[nH]1)CC2 ZINC001232064789 1035074626 /nfs/dbraw/zinc/07/46/26/1035074626.db2.gz VKSTXCLQVMFQQI-NRFANRHFSA-N 1 3 390.531 3.818 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208935710 1035102197 /nfs/dbraw/zinc/10/21/97/1035102197.db2.gz LWRQKDQALNWLTI-VSKRKVRLSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208935710 1035102204 /nfs/dbraw/zinc/10/22/04/1035102204.db2.gz LWRQKDQALNWLTI-VSKRKVRLSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]2C1 ZINC001208941934 1035112490 /nfs/dbraw/zinc/11/24/90/1035112490.db2.gz NQQFVISVJYIEPX-BHDDXSALSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]2C1 ZINC001208941934 1035112495 /nfs/dbraw/zinc/11/24/95/1035112495.db2.gz NQQFVISVJYIEPX-BHDDXSALSA-N 1 3 399.579 3.697 20 0 GHADHO C[C@@H]1CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943246 1035113225 /nfs/dbraw/zinc/11/32/25/1035113225.db2.gz SLOYVMRRHBYOAG-CTNGQTDRSA-N 1 3 387.568 3.840 20 0 GHADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943246 1035113230 /nfs/dbraw/zinc/11/32/30/1035113230.db2.gz SLOYVMRRHBYOAG-CTNGQTDRSA-N 1 3 387.568 3.840 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](CN3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208945418 1035115725 /nfs/dbraw/zinc/11/57/25/1035115725.db2.gz NIGHTVUICRVYCZ-OLKYXYMISA-N 1 3 384.564 3.557 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208945418 1035115728 /nfs/dbraw/zinc/11/57/28/1035115728.db2.gz NIGHTVUICRVYCZ-OLKYXYMISA-N 1 3 384.564 3.557 20 0 GHADHO O=C(C1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)N1CCCCCC1 ZINC001208950847 1035122478 /nfs/dbraw/zinc/12/24/78/1035122478.db2.gz WUOAECYXVYADPB-JOCHJYFZSA-N 1 3 383.580 3.623 20 0 GHADHO O=C(C1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCCCC1 ZINC001208950847 1035122479 /nfs/dbraw/zinc/12/24/79/1035122479.db2.gz WUOAECYXVYADPB-JOCHJYFZSA-N 1 3 383.580 3.623 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 ZINC001232146129 1035124586 /nfs/dbraw/zinc/12/45/86/1035124586.db2.gz JAPMCKAHMSOWDE-OALUTQOASA-N 1 3 391.531 3.576 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 ZINC001232146129 1035124589 /nfs/dbraw/zinc/12/45/89/1035124589.db2.gz JAPMCKAHMSOWDE-OALUTQOASA-N 1 3 391.531 3.576 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CCC3(CN(c4cccc(F)c4)C3=O)CC2)c1 ZINC001232146762 1035125504 /nfs/dbraw/zinc/12/55/04/1035125504.db2.gz GRDUEDUJOLEQMV-UHFFFAOYSA-N 1 3 399.485 3.655 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1 ZINC001232148588 1035126298 /nfs/dbraw/zinc/12/62/98/1035126298.db2.gz RGEZYVGZEXADCH-UHFFFAOYSA-N 1 3 397.542 3.560 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1 ZINC001232148588 1035126300 /nfs/dbraw/zinc/12/63/00/1035126300.db2.gz RGEZYVGZEXADCH-UHFFFAOYSA-N 1 3 397.542 3.560 20 0 GHADHO c1ccc(CN2CC[C@H](C[N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001208960168 1035131078 /nfs/dbraw/zinc/13/10/78/1035131078.db2.gz USRRMYFILXTILA-SDHOMARFSA-N 1 3 375.560 3.715 20 0 GHADHO c1ccc(CN2CC[C@H](C[N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001208960168 1035131083 /nfs/dbraw/zinc/13/10/83/1035131083.db2.gz USRRMYFILXTILA-SDHOMARFSA-N 1 3 375.560 3.715 20 0 GHADHO C[C@@H](C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)c1cccc(Oc2ccccc2)c1 ZINC001161447821 1035232812 /nfs/dbraw/zinc/23/28/12/1035232812.db2.gz ZCHFPSBUECMETN-CTNGQTDRSA-N 1 3 395.547 3.725 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCOc1ccccc1)CC2 ZINC001209296929 1035233977 /nfs/dbraw/zinc/23/39/77/1035233977.db2.gz MAYODAVCASJQQF-IBGZPJMESA-N 1 3 386.561 3.882 20 0 GHADHO CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209450820 1035277359 /nfs/dbraw/zinc/27/73/59/1035277359.db2.gz RLCXZUBECJAGDA-QFIPXVFZSA-N 1 3 383.580 3.733 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1ccc(-c2ccsc2)cc1 ZINC001245990063 1037112759 /nfs/dbraw/zinc/11/27/59/1037112759.db2.gz BIHNOUNZSNIQGH-LEWJYISDSA-N 1 3 388.483 3.714 20 0 GHADHO Cc1ccccc1OC[C@@H](O)CN[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001246005296 1037126007 /nfs/dbraw/zinc/12/60/07/1037126007.db2.gz IXWVPTBSEVSDGC-UGKGYDQZSA-N 1 3 386.511 3.594 20 0 GHADHO Cc1ccc(C2([NH2+]C[C@@H](O)[C@@H](N)Cc3ccccc3)CCC(F)(F)CC2)cc1 ZINC001246010524 1037132069 /nfs/dbraw/zinc/13/20/69/1037132069.db2.gz OHJDIMBQOHUDPW-LEWJYISDSA-N 1 3 388.502 3.920 20 0 GHADHO Brc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN[C@@H](Cc3ccccc3)C1)C2 ZINC001246162461 1037217688 /nfs/dbraw/zinc/21/76/88/1037217688.db2.gz DOHIJXLRQUWUFR-PCCBWWKXSA-N 1 3 385.349 3.869 20 0 GHADHO Cc1cccc2c1C1(C[C@H]2N[C@@H](C)CS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC001246244612 1037251976 /nfs/dbraw/zinc/25/19/76/1037251976.db2.gz BLLQFUGLEANREJ-GHTZIAJQSA-N 1 3 398.572 3.513 20 0 GHADHO CC[C@@H]1C[C@@H](NC[C@H]2C[C@]2(C(=O)N(CC)CC)c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246288529 1037278816 /nfs/dbraw/zinc/27/88/16/1037278816.db2.gz PPZKLUYYWFUDJF-AREVGRJGSA-N 1 3 385.596 3.712 20 0 GHADHO COC(=O)C(CN[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)(Cc1ccccc1)Cc1ccccc1 ZINC001246330196 1037297278 /nfs/dbraw/zinc/29/72/78/1037297278.db2.gz SCCNLOZDHVDXNL-JHDGKUDLSA-N 1 3 394.559 3.750 20 0 GHADHO COC(=O)C(CN[C@H]1CC[NH2+]C(C)(C)C1)(Cc1ccccc1)Cc1ccccc1 ZINC001246329127 1037298763 /nfs/dbraw/zinc/29/87/63/1037298763.db2.gz NOUSQBCFWXOVOC-QFIPXVFZSA-N 1 3 394.559 3.751 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@H]3CCN[C@H](Cc4ccccc4)C3)CC2)cc1F ZINC001246353812 1037312378 /nfs/dbraw/zinc/31/23/78/1037312378.db2.gz GGDXVNXPWFDAFW-FCHUYYIVSA-N 1 3 399.529 3.882 20 0 GHADHO COc1ccc(CC2(N[C@H]3C[C@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246374599 1037329937 /nfs/dbraw/zinc/32/99/37/1037329937.db2.gz FQDQDFPHDSYIEX-REWPJTCUSA-N 1 3 393.575 3.613 20 0 GHADHO COc1ccc2cc(CC[C@@H](C)N3CC[NH2+]C[C@@]4(CCCCN4)C3)ccc2c1 ZINC001246621010 1037512273 /nfs/dbraw/zinc/51/22/73/1037512273.db2.gz ALPSRQZOCIFSTR-DVECYGJZSA-N 1 3 381.564 3.587 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@@H]1CCc3c(F)cccc3C1)CC2 ZINC001246630979 1037519107 /nfs/dbraw/zinc/51/91/07/1037519107.db2.gz MYORLAVMTMOCAR-LJQANCHMSA-N 1 3 380.507 3.829 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@@H]1CCc3c(F)cccc3C1)CC2 ZINC001246630979 1037519110 /nfs/dbraw/zinc/51/91/10/1037519110.db2.gz MYORLAVMTMOCAR-LJQANCHMSA-N 1 3 380.507 3.829 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+]3CCCC[C@]34CCCNC4)CC[C@H]2C1 ZINC001246655284 1037529135 /nfs/dbraw/zinc/52/91/35/1037529135.db2.gz YVYWCZOGWSYCLW-KELBGUDLSA-N 1 3 395.591 3.926 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCCC[C@]34CCCNC4)CC[C@H]2C1 ZINC001246655284 1037529149 /nfs/dbraw/zinc/52/91/49/1037529149.db2.gz YVYWCZOGWSYCLW-KELBGUDLSA-N 1 3 395.591 3.926 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H](N3CCCC[C@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246655284 1037529160 /nfs/dbraw/zinc/52/91/60/1037529160.db2.gz YVYWCZOGWSYCLW-KELBGUDLSA-N 1 3 395.591 3.926 20 0 GHADHO CC[C@@H]1C[C@@H](N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C[C@H](CC)[NH2+]1 ZINC001246745113 1037585800 /nfs/dbraw/zinc/58/58/00/1037585800.db2.gz MERDKSDSMOXJSC-KKXBDNRESA-N 1 3 391.531 3.532 20 0 GHADHO CC(=O)N1CC2(CCN([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)c2cc(C)ccc21 ZINC001246773705 1037614664 /nfs/dbraw/zinc/61/46/64/1037614664.db2.gz GOYWBJLERLPOLP-SIKLNZKXSA-N 1 3 383.580 3.862 20 0 GHADHO Cc1ccc(N2C[C@]3(CCN([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246778836 1037618102 /nfs/dbraw/zinc/61/81/02/1037618102.db2.gz ODKBFBYROGRJPE-FYYLOGMGSA-N 1 3 381.564 3.879 20 0 GHADHO Cc1ccc(N2C[C@@]3(CCN([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246778839 1037618462 /nfs/dbraw/zinc/61/84/62/1037618462.db2.gz ODKBFBYROGRJPE-GGAORHGYSA-N 1 3 381.564 3.879 20 0 GHADHO CCOC(=O)CC[C@@H](C)[N@H+](Cc1ccc(Br)cc1)C1CCNCC1 ZINC001246934969 1037736666 /nfs/dbraw/zinc/73/66/66/1037736666.db2.gz DXCDYPGNIFGOOD-OAHLLOKOSA-N 1 3 397.357 3.735 20 0 GHADHO CCOC(=O)CC[C@@H](C)[N@@H+](Cc1ccc(Br)cc1)C1CCNCC1 ZINC001246934969 1037736680 /nfs/dbraw/zinc/73/66/80/1037736680.db2.gz DXCDYPGNIFGOOD-OAHLLOKOSA-N 1 3 397.357 3.735 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)C2CCc3ccccc3CC2)c1 ZINC001246953424 1037758514 /nfs/dbraw/zinc/75/85/14/1037758514.db2.gz BKVHYBFXOGMBDJ-UHFFFAOYSA-N 1 3 392.543 3.975 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)C2CCc3ccccc3CC2)c1 ZINC001246953424 1037758536 /nfs/dbraw/zinc/75/85/36/1037758536.db2.gz BKVHYBFXOGMBDJ-UHFFFAOYSA-N 1 3 392.543 3.975 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954574 1037761290 /nfs/dbraw/zinc/76/12/90/1037761290.db2.gz IGGSJABCCUMYDQ-IRXDYDNUSA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954574 1037761317 /nfs/dbraw/zinc/76/13/17/1037761317.db2.gz IGGSJABCCUMYDQ-IRXDYDNUSA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)[C@H]1CCC[C@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246954574 1037761339 /nfs/dbraw/zinc/76/13/39/1037761339.db2.gz IGGSJABCCUMYDQ-IRXDYDNUSA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)CC1CCC([N@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)CC1 ZINC001246960842 1037780360 /nfs/dbraw/zinc/78/03/60/1037780360.db2.gz OKLMUTJRRKIDGB-UHFFFAOYSA-N 1 3 392.515 3.510 20 0 GHADHO COC(=O)CC1CCC([N@@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)CC1 ZINC001246960842 1037780393 /nfs/dbraw/zinc/78/03/93/1037780393.db2.gz OKLMUTJRRKIDGB-UHFFFAOYSA-N 1 3 392.515 3.510 20 0 GHADHO COC(=O)CC1CCC(N(Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246960842 1037780412 /nfs/dbraw/zinc/78/04/12/1037780412.db2.gz OKLMUTJRRKIDGB-UHFFFAOYSA-N 1 3 392.515 3.510 20 0 GHADHO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)C1 ZINC001246990781 1037815326 /nfs/dbraw/zinc/81/53/26/1037815326.db2.gz JBSIGZVVSGPDCK-TZRRMPRUSA-N 1 3 392.543 3.805 20 0 GHADHO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)C1 ZINC001246990781 1037815333 /nfs/dbraw/zinc/81/53/33/1037815333.db2.gz JBSIGZVVSGPDCK-TZRRMPRUSA-N 1 3 392.543 3.805 20 0 GHADHO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001462219528 1070094403 /nfs/dbraw/zinc/09/44/03/1070094403.db2.gz KKTYTNGTEZQYKK-VTZPFEBOSA-N 1 3 399.623 3.720 20 0 GHADHO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001462219528 1070094419 /nfs/dbraw/zinc/09/44/19/1070094419.db2.gz KKTYTNGTEZQYKK-VTZPFEBOSA-N 1 3 399.623 3.720 20 0 GHADHO CCOc1ccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(C)n1 ZINC001232311764 1038069703 /nfs/dbraw/zinc/06/97/03/1038069703.db2.gz NCGREUBBDMGIPK-UHFFFAOYSA-N 1 3 380.536 3.672 20 0 GHADHO CCOc1ccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(C)n1 ZINC001232311764 1038069726 /nfs/dbraw/zinc/06/97/26/1038069726.db2.gz NCGREUBBDMGIPK-UHFFFAOYSA-N 1 3 380.536 3.672 20 0 GHADHO FC(F)Oc1ccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001232951759 1038729200 /nfs/dbraw/zinc/72/92/00/1038729200.db2.gz AKRNPAZJYKFFAC-UHFFFAOYSA-N 1 3 377.435 3.764 20 0 GHADHO FC(F)Oc1ccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001232951759 1038729207 /nfs/dbraw/zinc/72/92/07/1038729207.db2.gz AKRNPAZJYKFFAC-UHFFFAOYSA-N 1 3 377.435 3.764 20 0 GHADHO Cc1ccc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1O ZINC001233230818 1038992318 /nfs/dbraw/zinc/99/23/18/1038992318.db2.gz DBCZPYVFPNLWLF-QFIPXVFZSA-N 1 3 380.532 3.956 20 0 GHADHO Cc1ccc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1O ZINC001233230818 1038992329 /nfs/dbraw/zinc/99/23/29/1038992329.db2.gz DBCZPYVFPNLWLF-QFIPXVFZSA-N 1 3 380.532 3.956 20 0 GHADHO O[C@@H](CCOCc1ccccc1)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001253273612 1039518894 /nfs/dbraw/zinc/51/88/94/1039518894.db2.gz WVNSLUVDSCYOML-DEOSSOPVSA-N 1 3 394.559 3.552 20 0 GHADHO Cc1c2ccccc2sc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001233690587 1039541435 /nfs/dbraw/zinc/54/14/35/1039541435.db2.gz BWCLEJYEDBTBHY-DOTOQJQBSA-N 1 3 390.597 3.842 20 0 GHADHO Cc1c2ccccc2sc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001233690587 1039541450 /nfs/dbraw/zinc/54/14/50/1039541450.db2.gz BWCLEJYEDBTBHY-DOTOQJQBSA-N 1 3 390.597 3.842 20 0 GHADHO OC1(CN[C@H](c2ccc(Cl)cn2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254055609 1039978568 /nfs/dbraw/zinc/97/85/68/1039978568.db2.gz WBDLCDBMTDZNFX-NRFANRHFSA-N 1 3 385.939 3.803 20 0 GHADHO CSc1ncc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c(NC2CCCC2)n1 ZINC001235152121 1040642264 /nfs/dbraw/zinc/64/22/64/1040642264.db2.gz CCTVZCJRJYOAKC-LJQANCHMSA-N 1 3 389.613 3.907 20 0 GHADHO COc1cc(OC)c(CN2CCCC[C@@H]2C2CC[NH2+]CC2)cc1Br ZINC001235154268 1040647207 /nfs/dbraw/zinc/64/72/07/1040647207.db2.gz KOPIKKLNEWLSIK-QGZVFWFLSA-N 1 3 397.357 3.820 20 0 GHADHO Brc1ccc2[nH]c(CN3CCCC[C@@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235158034 1040652210 /nfs/dbraw/zinc/65/22/10/1040652210.db2.gz TYEKUHBFPGVTKK-QGZVFWFLSA-N 1 3 377.330 3.680 20 0 GHADHO Ic1sccc1CN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235162456 1040653171 /nfs/dbraw/zinc/65/31/71/1040653171.db2.gz VQSLJQMKJTUMFN-CQSZACIVSA-N 1 3 390.334 3.707 20 0 GHADHO FC(F)(F)Oc1ccc2nc(CN3CCC([C@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235238922 1040720275 /nfs/dbraw/zinc/72/02/75/1040720275.db2.gz GOFPPDHMWSLPRJ-OAHLLOKOSA-N 1 3 382.430 3.816 20 0 GHADHO CCc1cccc(CN2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001235260589 1040741256 /nfs/dbraw/zinc/74/12/56/1040741256.db2.gz VSXMHSYXTMZZTB-HSZRJFAPSA-N 1 3 394.563 3.542 20 0 GHADHO CCc1cccc(CN2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001235260589 1040741274 /nfs/dbraw/zinc/74/12/74/1040741274.db2.gz VSXMHSYXTMZZTB-HSZRJFAPSA-N 1 3 394.563 3.542 20 0 GHADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OCc1ccccc1 ZINC001255127992 1040819686 /nfs/dbraw/zinc/81/96/86/1040819686.db2.gz HPPJVOAXGFNKMR-WBDAEOGXSA-N 1 3 378.516 3.905 20 0 GHADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCc1ccccc1 ZINC001255127992 1040819705 /nfs/dbraw/zinc/81/97/05/1040819705.db2.gz HPPJVOAXGFNKMR-WBDAEOGXSA-N 1 3 378.516 3.905 20 0 GHADHO O[C@@]1(C(F)(F)F)CCCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255136423 1040839890 /nfs/dbraw/zinc/83/98/90/1040839890.db2.gz LACBTGFKUUWRFM-YRPNKDGESA-N 1 3 382.470 3.961 20 0 GHADHO O[C@@]1(C(F)(F)F)CCCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255136423 1040839905 /nfs/dbraw/zinc/83/99/05/1040839905.db2.gz LACBTGFKUUWRFM-YRPNKDGESA-N 1 3 382.470 3.961 20 0 GHADHO O=C(C1CCC1)N1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001255144097 1040855117 /nfs/dbraw/zinc/85/51/17/1040855117.db2.gz LXVRWQZDXSAOBE-JKHIJQBDSA-N 1 3 381.564 3.516 20 0 GHADHO O=C(C1CCC1)N1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001255144097 1040855129 /nfs/dbraw/zinc/85/51/29/1040855129.db2.gz LXVRWQZDXSAOBE-JKHIJQBDSA-N 1 3 381.564 3.516 20 0 GHADHO Cc1nccn1-c1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235365261 1040857287 /nfs/dbraw/zinc/85/72/87/1040857287.db2.gz NKYKZIKBXOIHLN-NOZRDPDXSA-N 1 3 386.543 3.934 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235366841 1040863091 /nfs/dbraw/zinc/86/30/91/1040863091.db2.gz RTXUWQNDLQTCJA-REWPJTCUSA-N 1 3 387.568 3.545 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235366841 1040863105 /nfs/dbraw/zinc/86/31/05/1040863105.db2.gz RTXUWQNDLQTCJA-REWPJTCUSA-N 1 3 387.568 3.545 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235366841 1040863119 /nfs/dbraw/zinc/86/31/19/1040863119.db2.gz RTXUWQNDLQTCJA-REWPJTCUSA-N 1 3 387.568 3.545 20 0 GHADHO Cc1ccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c(OCc2ccccc2)c1 ZINC001235378349 1040897389 /nfs/dbraw/zinc/89/73/89/1040897389.db2.gz GOCPNNGHEQCHLM-WMTXJRDZSA-N 1 3 378.516 3.527 20 0 GHADHO COc1ccccc1N(C)c1ccc(CN2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)cc1 ZINC001235398404 1040912349 /nfs/dbraw/zinc/91/23/49/1040912349.db2.gz VNRZSDSQWQQENY-AZUAARDMSA-N 1 3 383.511 3.972 20 0 GHADHO O=C1CC[C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@H](c2ccccc2)N1 ZINC001255389675 1040978240 /nfs/dbraw/zinc/97/82/40/1040978240.db2.gz PQVLKASNCAKFNW-FIXSFTCYSA-N 1 3 377.532 3.651 20 0 GHADHO O=C1CC[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@H](c2ccccc2)N1 ZINC001255389675 1040978241 /nfs/dbraw/zinc/97/82/41/1040978241.db2.gz PQVLKASNCAKFNW-FIXSFTCYSA-N 1 3 377.532 3.651 20 0 GHADHO CC(C)c1nnc2ccc(C[NH2+][C@H]3CCCN(Cc4ccccc4)CC3)cn21 ZINC001255392774 1040981104 /nfs/dbraw/zinc/98/11/04/1040981104.db2.gz LIXNCQUIKCVRQC-NRFANRHFSA-N 1 3 377.536 3.997 20 0 GHADHO Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409695 1040997510 /nfs/dbraw/zinc/99/75/10/1040997510.db2.gz LDCKKNHDMBSDFY-FGZHOGPDSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1nccnc1O[C@@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409695 1040997513 /nfs/dbraw/zinc/99/75/13/1040997513.db2.gz LDCKKNHDMBSDFY-FGZHOGPDSA-N 1 3 380.536 3.683 20 0 GHADHO CC(C)(C)C1CCC([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC1 ZINC001255496095 1041090616 /nfs/dbraw/zinc/09/06/16/1041090616.db2.gz JPPSORNECZZJCQ-LZBANZJXSA-N 1 3 399.623 3.996 20 0 GHADHO Clc1ccc2c(c1)nccc2N1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001235672372 1041129466 /nfs/dbraw/zinc/12/94/66/1041129466.db2.gz BSLSHZMSIRGUBB-UHFFFAOYSA-N 1 3 392.934 3.856 20 0 GHADHO Clc1ccc2c(c1)nccc2N1CCN(Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001235672438 1041132101 /nfs/dbraw/zinc/13/21/01/1041132101.db2.gz DSQYQDBVTRORFH-UHFFFAOYSA-N 1 3 392.934 3.856 20 0 GHADHO Brc1ccc(N2CC[NH2+]CC2)c(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC001235893709 1041417083 /nfs/dbraw/zinc/41/70/83/1041417083.db2.gz QTKSLLBZKQPDHU-MAUKXSAKSA-N 1 3 378.358 3.623 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)NC[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001255940528 1041428536 /nfs/dbraw/zinc/42/85/36/1041428536.db2.gz CXIBBNQIDWLKNN-RTBURBONSA-N 1 3 397.604 3.645 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001255940528 1041428539 /nfs/dbraw/zinc/42/85/39/1041428539.db2.gz CXIBBNQIDWLKNN-RTBURBONSA-N 1 3 397.604 3.645 20 0 GHADHO COC(=O)[C@H](C[NH3+])Cc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001236252096 1041643672 /nfs/dbraw/zinc/64/36/72/1041643672.db2.gz YPYOBESVXKNMIW-NRFANRHFSA-N 1 3 384.495 3.769 20 0 GHADHO CCOC(=O)CC1([NH3+])CCN([C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC001256222699 1041659735 /nfs/dbraw/zinc/65/97/35/1041659735.db2.gz NPJUJRGYSQPSSU-HNNXBMFYSA-N 1 3 397.357 3.517 20 0 GHADHO CCOC(=O)CC1(N)CC[NH+]([C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC001256222699 1041659746 /nfs/dbraw/zinc/65/97/46/1041659746.db2.gz NPJUJRGYSQPSSU-HNNXBMFYSA-N 1 3 397.357 3.517 20 0 GHADHO COc1ccc(-c2c(CN(C[C@H]3CCC[NH2+]C3)C3CCCC3)cnn2C)cc1 ZINC001236375387 1041687393 /nfs/dbraw/zinc/68/73/93/1041687393.db2.gz JUBRCYRLHQUSTR-SFHVURJKSA-N 1 3 382.552 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256294798 1041688554 /nfs/dbraw/zinc/68/85/54/1041688554.db2.gz HITKXAWKWQIAAD-DEOSSOPVSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256294798 1041688558 /nfs/dbraw/zinc/68/85/58/1041688558.db2.gz HITKXAWKWQIAAD-DEOSSOPVSA-N 1 3 399.579 3.984 20 0 GHADHO COc1ccc(CN(Cc2cn3cccc(C)c3n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544266 1041757417 /nfs/dbraw/zinc/75/74/17/1041757417.db2.gz JOEWIWARTXBMJK-XUTJKUGGSA-N 1 3 378.520 3.923 20 0 GHADHO COc1ccccc1CN(Cc1n[nH]c2ccc(F)cc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709145 1041846278 /nfs/dbraw/zinc/84/62/78/1041846278.db2.gz FDWYJZOHLPOKNU-IYARVYRRSA-N 1 3 382.483 3.983 20 0 GHADHO COc1ccccc1CN(Cc1[nH]nc2ccc(F)cc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709145 1041846280 /nfs/dbraw/zinc/84/62/80/1041846280.db2.gz FDWYJZOHLPOKNU-IYARVYRRSA-N 1 3 382.483 3.983 20 0 GHADHO O=C(c1ccc(C[NH+]2CCC3(CC2)NCCc2ccccc23)cc1)N1CCCC1 ZINC001237277828 1042119255 /nfs/dbraw/zinc/11/92/55/1042119255.db2.gz VCAYNKLDSNYEBH-UHFFFAOYSA-N 1 3 389.543 3.560 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CCC4(CC[C@@H]4[NH3+])CC3)c2n1 ZINC001237356117 1042166656 /nfs/dbraw/zinc/16/66/56/1042166656.db2.gz GXNLYJMILMFDFG-INIZCTEOSA-N 1 3 390.325 3.709 20 0 GHADHO CC(C)C1=NCCc2ccc(C[NH+]3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)cc21 ZINC001237878332 1042406058 /nfs/dbraw/zinc/40/60/58/1042406058.db2.gz PUSOASSLUKBINF-PMACEKPBSA-N 1 3 394.588 3.708 20 0 GHADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(COc2ccccc2)cc1 ZINC001237927138 1042424627 /nfs/dbraw/zinc/42/46/27/1042424627.db2.gz ZAXQXSPXKFQXNR-UHFFFAOYSA-N 1 3 384.520 3.582 20 0 GHADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(COc2ccccc2)cc1 ZINC001237927138 1042424631 /nfs/dbraw/zinc/42/46/31/1042424631.db2.gz ZAXQXSPXKFQXNR-UHFFFAOYSA-N 1 3 384.520 3.582 20 0 GHADHO COc1c(C)cnc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1C ZINC001238176803 1042509645 /nfs/dbraw/zinc/50/96/45/1042509645.db2.gz QPNPPHNLLBJGJF-UHFFFAOYSA-N 1 3 380.536 3.590 20 0 GHADHO COc1c(C)cnc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1C ZINC001238176803 1042509651 /nfs/dbraw/zinc/50/96/51/1042509651.db2.gz QPNPPHNLLBJGJF-UHFFFAOYSA-N 1 3 380.536 3.590 20 0 GHADHO CN1CCN(C2(c3ccc(-c4ccc(OC5CC[NH2+]CC5)cc4)cc3)CC2)CC1 ZINC001240590253 1042944478 /nfs/dbraw/zinc/94/44/78/1042944478.db2.gz ZNWRHGUVIFCWIE-UHFFFAOYSA-N 1 3 391.559 3.721 20 0 GHADHO CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001291616945 1043360375 /nfs/dbraw/zinc/36/03/75/1043360375.db2.gz MTCHWEBMBFEXGB-RTBURBONSA-N 1 3 390.620 3.587 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256522832 1043446955 /nfs/dbraw/zinc/44/69/55/1043446955.db2.gz KDVGHYNUHSDHSK-XXBNENTESA-N 1 3 380.532 3.935 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256522832 1043446971 /nfs/dbraw/zinc/44/69/71/1043446971.db2.gz KDVGHYNUHSDHSK-XXBNENTESA-N 1 3 380.532 3.935 20 0 GHADHO C[C@H]1C[C@@H](NCCc2nc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001256523370 1043450383 /nfs/dbraw/zinc/45/03/83/1043450383.db2.gz OMXVKBUHSSQUAO-RXVVDRJESA-N 1 3 376.504 3.922 20 0 GHADHO C[C@H]1C[C@@H](NCCc2nc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001256523370 1043450390 /nfs/dbraw/zinc/45/03/90/1043450390.db2.gz OMXVKBUHSSQUAO-RXVVDRJESA-N 1 3 376.504 3.922 20 0 GHADHO c1ccc(C[C@@H](CN2CCCC2)[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC001256600052 1043563318 /nfs/dbraw/zinc/56/33/18/1043563318.db2.gz JZOPHSYNECTHLU-VWLOTQADSA-N 1 3 377.576 3.948 20 0 GHADHO Brc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686176 1043622664 /nfs/dbraw/zinc/62/26/64/1043622664.db2.gz KLZBGLIKYQLPER-FAFZWHIHSA-N 1 3 379.342 3.669 20 0 GHADHO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC(N)(c3ccccc3C(F)(F)F)CC2)C1 ZINC001257037597 1043813741 /nfs/dbraw/zinc/81/37/41/1043813741.db2.gz CDFPOZYDQSRVBK-LSDHHAIUSA-N 1 3 384.442 3.687 20 0 GHADHO c1ccc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C2CCCCC2)C3)nc1 ZINC001257455955 1044004221 /nfs/dbraw/zinc/00/42/21/1044004221.db2.gz OYNGROLMNJHFNX-XUZZJYLKSA-N 1 3 383.580 3.965 20 0 GHADHO c1ccc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C2CCCCC2)C3)nc1 ZINC001257455955 1044004228 /nfs/dbraw/zinc/00/42/28/1044004228.db2.gz OYNGROLMNJHFNX-XUZZJYLKSA-N 1 3 383.580 3.965 20 0 GHADHO CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257463873 1044005128 /nfs/dbraw/zinc/00/51/28/1044005128.db2.gz QPQYVHOEDVKCGU-JAXLGGSGSA-N 1 3 387.612 3.996 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H]2C1 ZINC001257813768 1044195193 /nfs/dbraw/zinc/19/51/93/1044195193.db2.gz BZUANRFXCQCUBN-URFJDIBFSA-N 1 3 391.600 3.830 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(NC2=NCCC2)cc1 ZINC001293627084 1044271265 /nfs/dbraw/zinc/27/12/65/1044271265.db2.gz VDTWNSKHYLYDIN-NRFANRHFSA-N 1 3 376.504 3.685 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(NC2=NCCC2)cc1 ZINC001293627084 1044271279 /nfs/dbraw/zinc/27/12/79/1044271279.db2.gz VDTWNSKHYLYDIN-NRFANRHFSA-N 1 3 376.504 3.685 20 0 GHADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258054116 1044372522 /nfs/dbraw/zinc/37/25/22/1044372522.db2.gz ZFQYHMZYNWWRML-ONTIZHBOSA-N 1 3 387.612 3.852 20 0 GHADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258831886 1044777873 /nfs/dbraw/zinc/77/78/73/1044777873.db2.gz SBZLGTDZGYHJAK-OAQYLSRUSA-N 1 3 387.612 3.852 20 0 GHADHO CCN1C[C@@H](C)N(c2nnc(C3CCCC3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001295376479 1044992514 /nfs/dbraw/zinc/99/25/14/1044992514.db2.gz NHSDZRPBDHDXLY-GUDVDZBRSA-N 1 3 390.620 3.585 20 0 GHADHO [NH2+]=C(NCCc1c(F)cccc1Cl)NC1CCN(Cc2ccccc2)CC1 ZINC001261566866 1046027072 /nfs/dbraw/zinc/02/70/72/1046027072.db2.gz GNYHRUUFZHHELM-UHFFFAOYSA-N 1 3 388.918 3.800 20 0 GHADHO CN(CCN(Cc1ccccc1)C(=O)CC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC001265539919 1047627615 /nfs/dbraw/zinc/62/76/15/1047627615.db2.gz XODLGIQUPDPGTD-UHFFFAOYSA-N 1 3 381.564 3.925 20 0 GHADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1c(Cl)cccc1C(F)(F)F)CC2 ZINC001279143335 1047730124 /nfs/dbraw/zinc/73/01/24/1047730124.db2.gz POGWLJDOKUMLBN-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4sccc4Cl)C[C@H]3CC2)n(C)n1 ZINC001279373224 1047785294 /nfs/dbraw/zinc/78/52/94/1047785294.db2.gz XCPLQWXZCHPBQD-IYBDPMFKSA-N 1 3 378.973 3.787 20 0 GHADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4sccc4Cl)C[C@H]3CC2)n(C)n1 ZINC001279373224 1047785297 /nfs/dbraw/zinc/78/52/97/1047785297.db2.gz XCPLQWXZCHPBQD-IYBDPMFKSA-N 1 3 378.973 3.787 20 0 GHADHO Brc1cc(CN[C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)c[nH]1 ZINC001279507803 1047829567 /nfs/dbraw/zinc/82/95/67/1047829567.db2.gz YSXKBZWHHXFEJS-ZWKOTPCHSA-N 1 3 377.330 3.830 20 0 GHADHO Brc1cc(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]4)(C2)CCC3)c[nH]1 ZINC001279507803 1047829576 /nfs/dbraw/zinc/82/95/76/1047829576.db2.gz YSXKBZWHHXFEJS-ZWKOTPCHSA-N 1 3 377.330 3.830 20 0 GHADHO Brc1cscc1CN1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279708132 1047926849 /nfs/dbraw/zinc/92/68/49/1047926849.db2.gz NNSDLSJFCFPIHE-GASCZTMLSA-N 1 3 395.370 3.578 20 0 GHADHO Brc1cscc1CN1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279708132 1047926854 /nfs/dbraw/zinc/92/68/54/1047926854.db2.gz NNSDLSJFCFPIHE-GASCZTMLSA-N 1 3 395.370 3.578 20 0 GHADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3csc(C(F)(F)F)c3)(C1)CCC2 ZINC001279712105 1047930907 /nfs/dbraw/zinc/93/09/07/1047930907.db2.gz WZAMHXDQFGRRJA-DLBZAZTESA-N 1 3 375.504 3.853 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CNC2CC[NH+](C(C)(C)C)CC2)C(F)(F)C1 ZINC000824853455 1049158340 /nfs/dbraw/zinc/15/83/40/1049158340.db2.gz FTRFWFWPMJFCGZ-OAHLLOKOSA-N 1 3 389.531 3.731 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C(F)(F)C1 ZINC000824853455 1049158348 /nfs/dbraw/zinc/15/83/48/1049158348.db2.gz FTRFWFWPMJFCGZ-OAHLLOKOSA-N 1 3 389.531 3.731 20 0 GHADHO C[C@@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 ZINC001307508313 1049350608 /nfs/dbraw/zinc/35/06/08/1049350608.db2.gz SSZXKASWPVWSKI-IFMALSPDSA-N 1 3 385.596 3.773 20 0 GHADHO C[C@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 ZINC001307508316 1049351081 /nfs/dbraw/zinc/35/10/81/1049351081.db2.gz SSZXKASWPVWSKI-UNMCSNQZSA-N 1 3 385.596 3.773 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](CC)[C@H]3CCCC[C@H]3C)cc2)CC1 ZINC001307683754 1049503287 /nfs/dbraw/zinc/50/32/87/1049503287.db2.gz KANZFQHUTJDKAS-KNQAVFIVSA-N 1 3 386.584 3.668 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](CC)[C@H]3CCCC[C@H]3C)cc2)CC1 ZINC001307683754 1049503300 /nfs/dbraw/zinc/50/33/00/1049503300.db2.gz KANZFQHUTJDKAS-KNQAVFIVSA-N 1 3 386.584 3.668 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C[C@@H]1C(F)(F)F ZINC001308686154 1050059641 /nfs/dbraw/zinc/05/96/41/1050059641.db2.gz YSZSVAXYIWFXQR-TWMKSMIVSA-N 1 3 378.479 3.751 20 0 GHADHO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)c1ccccc1 ZINC001335468251 1052111523 /nfs/dbraw/zinc/11/15/23/1052111523.db2.gz CXKJSWCKBPGJFH-ONTNHIFESA-N 1 3 394.559 3.678 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC001311715314 1052352044 /nfs/dbraw/zinc/35/20/44/1052352044.db2.gz VLXVMAWVFBUOLN-UNMCSNQZSA-N 1 3 386.584 3.729 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC001311744906 1052369529 /nfs/dbraw/zinc/36/95/29/1052369529.db2.gz JVXVLIFLOAOXTI-WQMHRJNTSA-N 1 3 386.584 3.694 20 0 GHADHO CN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1)[C@@H]1CCCN(C)C1 ZINC001313246136 1052995430 /nfs/dbraw/zinc/99/54/30/1052995430.db2.gz DYTAEPYVRLUHOY-OAQYLSRUSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1)[C@@H]1CCCN(C)C1 ZINC001313246136 1052995431 /nfs/dbraw/zinc/99/54/31/1052995431.db2.gz DYTAEPYVRLUHOY-OAQYLSRUSA-N 1 3 386.584 3.557 20 0 GHADHO O=C1COc2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cc2N1 ZINC001324555792 1057163582 /nfs/dbraw/zinc/16/35/82/1057163582.db2.gz VAGRLATZQJXXQK-SEJPIABJSA-N 1 3 391.515 3.693 20 0 GHADHO FC(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001324703801 1057207609 /nfs/dbraw/zinc/20/76/09/1057207609.db2.gz BPLMSETVHSBXPF-HMXCVIKNSA-N 1 3 377.523 3.606 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001326227290 1057437718 /nfs/dbraw/zinc/43/77/18/1057437718.db2.gz JRRDPZOSRYGKII-IFMALSPDSA-N 1 3 383.580 3.588 20 0 GHADHO Clc1ccc(OC[C@H]2CCCO2)c(CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327006032 1057584978 /nfs/dbraw/zinc/58/49/78/1057584978.db2.gz UMYTZNICVANLGD-LJQANCHMSA-N 1 3 378.944 3.863 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001442715596 1058997449 /nfs/dbraw/zinc/99/74/49/1058997449.db2.gz BCAHQOHOIMYYHN-UHFFFAOYSA-N 1 3 379.976 3.885 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001442715596 1058997452 /nfs/dbraw/zinc/99/74/52/1058997452.db2.gz BCAHQOHOIMYYHN-UHFFFAOYSA-N 1 3 379.976 3.885 20 0 GHADHO C[N@H+](Cc1ccccc1NC(=O)c1cc2n(n1)CCC[C@@H]2N)C1CCCCC1 ZINC001340774815 1060115162 /nfs/dbraw/zinc/11/51/62/1060115162.db2.gz VWFFLRXGILPRHV-SFHVURJKSA-N 1 3 381.524 3.694 20 0 GHADHO C[N@@H+](Cc1ccccc1NC(=O)c1cc2n(n1)CCC[C@@H]2N)C1CCCCC1 ZINC001340774815 1060115171 /nfs/dbraw/zinc/11/51/71/1060115171.db2.gz VWFFLRXGILPRHV-SFHVURJKSA-N 1 3 381.524 3.694 20 0 GHADHO Cc1nc(N2CCCCC2)sc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC001341569167 1060749992 /nfs/dbraw/zinc/74/99/92/1060749992.db2.gz MCYLXXJHKAGKEC-UHFFFAOYSA-N 1 3 392.613 3.519 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc2c(s1)C[NH2+]CC2 ZINC001341676492 1060804425 /nfs/dbraw/zinc/80/44/25/1060804425.db2.gz DVBRCBKZGFHXTP-UHFFFAOYSA-N 1 3 387.574 3.503 20 0 GHADHO C[C@@H](C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001454545328 1061830297 /nfs/dbraw/zinc/83/02/97/1061830297.db2.gz ZRJRFQLIFUGGRJ-JTOWHCCKSA-N 1 3 385.474 3.686 20 0 GHADHO C[C@@H](C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001454545328 1061830310 /nfs/dbraw/zinc/83/03/10/1061830310.db2.gz ZRJRFQLIFUGGRJ-JTOWHCCKSA-N 1 3 385.474 3.686 20 0 GHADHO CCC[NH+](CCC)CCCC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC001457930346 1063446719 /nfs/dbraw/zinc/44/67/19/1063446719.db2.gz DRIGEENAPREOOI-UHFFFAOYSA-N 1 3 379.936 3.552 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001438576415 1064075508 /nfs/dbraw/zinc/07/55/08/1064075508.db2.gz XVKPQQDMJWIPMJ-ZEQRLZLVSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001438576415 1064075515 /nfs/dbraw/zinc/07/55/15/1064075515.db2.gz XVKPQQDMJWIPMJ-ZEQRLZLVSA-N 1 3 391.559 3.679 20 0 GHADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc(N(C)C(C)C)c(F)c2)CC1 ZINC001459614463 1064144181 /nfs/dbraw/zinc/14/41/81/1064144181.db2.gz QDPQNDITBYGJJT-UHFFFAOYSA-N 1 3 392.563 3.805 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC001357403482 1067085139 /nfs/dbraw/zinc/08/51/39/1067085139.db2.gz DIQLOYQMKKAXPE-VQIMIIECSA-N 1 3 383.561 3.519 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CNCC3)CC[N@H+]1Cc1ccccc1 ZINC001357403482 1067085153 /nfs/dbraw/zinc/08/51/53/1067085153.db2.gz DIQLOYQMKKAXPE-VQIMIIECSA-N 1 3 383.561 3.519 20 0 GHADHO CN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001467752263 1067452279 /nfs/dbraw/zinc/45/22/79/1067452279.db2.gz OOVYLELANZPFSD-OAQYLSRUSA-N 1 3 386.584 3.557 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)CC1 ZINC001477728138 1078544047 /nfs/dbraw/zinc/54/40/47/1078544047.db2.gz ZQPJYILHKZVVSD-UHFFFAOYSA-N 1 3 392.632 3.793 20 0 GHADHO CC1([NH+]2CCC2)CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001468871819 1067914774 /nfs/dbraw/zinc/91/47/74/1067914774.db2.gz DUAYFZMWQNRSOL-MHIUNMELSA-N 1 3 398.595 3.920 20 0 GHADHO CC(C)N1CCC[C@@H]1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001359858602 1068224794 /nfs/dbraw/zinc/22/47/94/1068224794.db2.gz OONWRDMQCPPVQN-HXUWFJFHSA-N 1 3 377.960 3.637 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001359858602 1068224805 /nfs/dbraw/zinc/22/48/05/1068224805.db2.gz OONWRDMQCPPVQN-HXUWFJFHSA-N 1 3 377.960 3.637 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001359858602 1068224813 /nfs/dbraw/zinc/22/48/13/1068224813.db2.gz OONWRDMQCPPVQN-HXUWFJFHSA-N 1 3 377.960 3.637 20 0 GHADHO C[N@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@@H](CO)Cc1ccccc1 ZINC001460416917 1068957943 /nfs/dbraw/zinc/95/79/43/1068957943.db2.gz JRGQPYXGBZBVCE-RUZDIDTESA-N 1 3 380.576 3.867 20 0 GHADHO C[N@@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@@H](CO)Cc1ccccc1 ZINC001460416917 1068957948 /nfs/dbraw/zinc/95/79/48/1068957948.db2.gz JRGQPYXGBZBVCE-RUZDIDTESA-N 1 3 380.576 3.867 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001472576538 1073558132 /nfs/dbraw/zinc/55/81/32/1073558132.db2.gz ZCUYIBIKWJUHTH-XXBNENTESA-N 1 3 379.548 3.746 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001472576538 1073558136 /nfs/dbraw/zinc/55/81/36/1073558136.db2.gz ZCUYIBIKWJUHTH-XXBNENTESA-N 1 3 379.548 3.746 20 0 GHADHO C[NH+]1CCC(NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC001473227913 1073875891 /nfs/dbraw/zinc/87/58/91/1073875891.db2.gz SGZCLZDSGUVZDP-UHFFFAOYSA-N 1 3 397.485 3.665 20 0 GHADHO COc1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc(Br)c1[O-] ZINC001473935591 1074210609 /nfs/dbraw/zinc/21/06/09/1074210609.db2.gz LVJFWXMECPIQAA-UHFFFAOYSA-N 1 3 385.346 3.765 20 0 GHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCNc1nccc(C(F)(F)F)n1 ZINC001474013531 1074235165 /nfs/dbraw/zinc/23/51/65/1074235165.db2.gz MIAONDKVYJGNDI-UHFFFAOYSA-N 1 3 395.473 3.655 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCNc1nccc(C(F)(F)F)n1 ZINC001474013531 1074235171 /nfs/dbraw/zinc/23/51/71/1074235171.db2.gz MIAONDKVYJGNDI-UHFFFAOYSA-N 1 3 395.473 3.655 20 0 GHADHO CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(OCC[NH+](C)C)cc3)ccc2NC1=O ZINC001474030968 1074241941 /nfs/dbraw/zinc/24/19/41/1074241941.db2.gz CXXWEYJMLKFMEJ-IIBYNOLFSA-N 1 3 397.519 3.587 20 0 GHADHO CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(OCC[NH+](C)C)cc3)ccc2NC1=O ZINC001474030967 1074242147 /nfs/dbraw/zinc/24/21/47/1074242147.db2.gz CXXWEYJMLKFMEJ-IERDGZPVSA-N 1 3 397.519 3.587 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001474355462 1074360469 /nfs/dbraw/zinc/36/04/69/1074360469.db2.gz JYXWADMYLYDCAT-LADGPHEKSA-N 1 3 395.595 3.929 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001474355462 1074360480 /nfs/dbraw/zinc/36/04/80/1074360480.db2.gz JYXWADMYLYDCAT-LADGPHEKSA-N 1 3 395.595 3.929 20 0 GHADHO CCN(CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)CCC(F)(F)F ZINC001474437974 1074406214 /nfs/dbraw/zinc/40/62/14/1074406214.db2.gz AYZVQRUZFGOVLC-ZCNNSNEGSA-N 1 3 383.502 3.903 20 0 GHADHO CCN(CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)CCC(F)(F)F ZINC001474437974 1074406218 /nfs/dbraw/zinc/40/62/18/1074406218.db2.gz AYZVQRUZFGOVLC-ZCNNSNEGSA-N 1 3 383.502 3.903 20 0 GHADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505148 1074437929 /nfs/dbraw/zinc/43/79/29/1074437929.db2.gz PTCMVTKFXNVHFJ-YLJOHRSJSA-N 1 3 377.573 3.581 20 0 GHADHO CN1CC[C@H]2[C@H](CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505148 1074437934 /nfs/dbraw/zinc/43/79/34/1074437934.db2.gz PTCMVTKFXNVHFJ-YLJOHRSJSA-N 1 3 377.573 3.581 20 0 GHADHO CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@@H+](C)[C@H](C)CC ZINC001495776800 1079429558 /nfs/dbraw/zinc/42/95/58/1079429558.db2.gz DUNHVAKQDMLNOH-RTBURBONSA-N 1 3 390.620 3.587 20 0 GHADHO CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@H+](C)[C@H](C)CC ZINC001495776800 1079429561 /nfs/dbraw/zinc/42/95/61/1079429561.db2.gz DUNHVAKQDMLNOH-RTBURBONSA-N 1 3 390.620 3.587 20 0 GHADHO c1sc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000823748068 606216523 /nfs/dbraw/zinc/21/65/23/606216523.db2.gz OXDCXXAMFORGLS-UHFFFAOYSA-N 1 3 382.537 3.594 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)cc(C)n1)CC2 ZINC001164712968 720095288 /nfs/dbraw/zinc/09/52/88/720095288.db2.gz ZKVWZQPWCLLWTC-NRFANRHFSA-N 1 3 380.536 3.601 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)cc(C)n1)CC2 ZINC001164712968 720095299 /nfs/dbraw/zinc/09/52/99/720095299.db2.gz ZKVWZQPWCLLWTC-NRFANRHFSA-N 1 3 380.536 3.601 20 0 GHADHO Cc1cccc(N(c2ccc(CN(C)C3CC3)cn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164776110 721329770 /nfs/dbraw/zinc/32/97/70/721329770.db2.gz COKWDYTYZWBGQA-LADGPHEKSA-N 1 3 392.547 3.643 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2ccc(S(C)(=O)=O)s2)C[N@@H+]1Cc1ccccc1 ZINC000414364812 837390844 /nfs/dbraw/zinc/39/08/44/837390844.db2.gz JQDPYYIFOWIHGL-AEFFLSMTSA-N 1 3 392.590 3.542 20 0 GHADHO C[C@@H]1C[C@H](CCNCc2ccc(S(C)(=O)=O)s2)C[N@H+]1Cc1ccccc1 ZINC000414364812 837390854 /nfs/dbraw/zinc/39/08/54/837390854.db2.gz JQDPYYIFOWIHGL-AEFFLSMTSA-N 1 3 392.590 3.542 20 0 GHADHO C[C@H]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CCN1Cc1ccccc1 ZINC000471386725 837461397 /nfs/dbraw/zinc/46/13/97/837461397.db2.gz WLICDVHUWQHLDY-NRFANRHFSA-N 1 3 391.559 3.558 20 0 GHADHO C[C@H]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CCN1Cc1ccccc1 ZINC000471386725 837461404 /nfs/dbraw/zinc/46/14/04/837461404.db2.gz WLICDVHUWQHLDY-NRFANRHFSA-N 1 3 391.559 3.558 20 0 GHADHO CCN(CC)[C@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655684859 837669410 /nfs/dbraw/zinc/66/94/10/837669410.db2.gz ZOAMKNGDVDJYCI-WIYYLYMNSA-N 1 3 379.976 3.566 20 0 GHADHO Fc1ccccc1-c1nc(CN2CCC(CCC[NH+]3CCOCC3)CC2)co1 ZINC000625307182 837697666 /nfs/dbraw/zinc/69/76/66/837697666.db2.gz LMJVKTTVTJJRTJ-UHFFFAOYSA-N 1 3 387.499 3.805 20 0 GHADHO CN1CCC(O)(C[NH2+][C@H](CC(C)(C)C)c2ccc(Br)cc2)CC1 ZINC000414126523 837743008 /nfs/dbraw/zinc/74/30/08/837743008.db2.gz RLKPYYUKQJBFLT-QGZVFWFLSA-N 1 3 383.374 3.973 20 0 GHADHO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC000090028530 834596337 /nfs/dbraw/zinc/59/63/37/834596337.db2.gz MIHDNRPOZKWHMS-FQEVSTJZSA-N 1 3 379.548 3.980 20 0 GHADHO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000090879854 834622206 /nfs/dbraw/zinc/62/22/06/834622206.db2.gz UFWIXJJBNYOFOP-IBGZPJMESA-N 1 3 375.520 3.625 20 0 GHADHO c1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n(-c2ccncc2)n1 ZINC000657772970 834724629 /nfs/dbraw/zinc/72/46/29/834724629.db2.gz PDNKYTPAXZCTEP-NRFANRHFSA-N 1 3 387.531 3.659 20 0 GHADHO c1cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n(-c2ccncc2)n1 ZINC000657772970 834724635 /nfs/dbraw/zinc/72/46/35/834724635.db2.gz PDNKYTPAXZCTEP-NRFANRHFSA-N 1 3 387.531 3.659 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccccc4[C@H]3C(C)C)CC2)CC1 ZINC000654914177 834782711 /nfs/dbraw/zinc/78/27/11/834782711.db2.gz AGQHMDVWAPHBKI-XMMPIXPASA-N 1 3 397.607 3.965 20 0 GHADHO CN(CCCN(C)C(=O)NCc1ccccc1C[NH+]1CCCC1)Cc1ccco1 ZINC000583770767 835004245 /nfs/dbraw/zinc/00/42/45/835004245.db2.gz VDGRWUYEZKAEBS-UHFFFAOYSA-N 1 3 398.551 3.539 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000061865202 835328586 /nfs/dbraw/zinc/32/85/86/835328586.db2.gz UYKNXTORXMGFFM-QHCPKHFHSA-N 1 3 394.563 3.602 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000061865202 835328594 /nfs/dbraw/zinc/32/85/94/835328594.db2.gz UYKNXTORXMGFFM-QHCPKHFHSA-N 1 3 394.563 3.602 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000151383340 835403773 /nfs/dbraw/zinc/40/37/73/835403773.db2.gz CGSPCSHRCBYEIR-FQEVSTJZSA-N 1 3 397.611 3.594 20 0 GHADHO Cc1ccc(CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C2CC2)cc1C ZINC000154330238 835545764 /nfs/dbraw/zinc/54/57/64/835545764.db2.gz MIFSMFDTGVZSLZ-UHFFFAOYSA-N 1 3 398.595 3.536 20 0 GHADHO C[C@@H](c1ccc(F)cc1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179448689 835561634 /nfs/dbraw/zinc/56/16/34/835561634.db2.gz HXFNUZOMAUGFBW-SFHVURJKSA-N 1 3 375.532 3.591 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047302576 835742801 /nfs/dbraw/zinc/74/28/01/835742801.db2.gz FFKIRQJJHHEQBV-NRFANRHFSA-N 1 3 397.588 3.913 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000657834427 835748193 /nfs/dbraw/zinc/74/81/93/835748193.db2.gz OXBUNSLGBLBFAK-OAHLLOKOSA-N 1 3 391.909 3.907 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000154658442 835885489 /nfs/dbraw/zinc/88/54/89/835885489.db2.gz MBNHIJCOVBIDJW-GCJKJVERSA-N 1 3 385.552 3.643 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000154658442 835885494 /nfs/dbraw/zinc/88/54/94/835885494.db2.gz MBNHIJCOVBIDJW-GCJKJVERSA-N 1 3 385.552 3.643 20 0 GHADHO CCN([C@@H]1CCOC1)C1CC[NH+](CCCCCCCCCC(=O)OC)CC1 ZINC001209097941 836009074 /nfs/dbraw/zinc/00/90/74/836009074.db2.gz NWFUMHRSZKMRPI-OAQYLSRUSA-N 1 3 382.589 3.855 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000154861092 836082897 /nfs/dbraw/zinc/08/28/97/836082897.db2.gz WZYXJQZKHQDUBG-KRWDZBQOSA-N 1 3 389.565 3.749 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000154861092 836082910 /nfs/dbraw/zinc/08/29/10/836082910.db2.gz WZYXJQZKHQDUBG-KRWDZBQOSA-N 1 3 389.565 3.749 20 0 GHADHO CC[NH+]1CCC(NC[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000581997882 844140214 /nfs/dbraw/zinc/14/02/14/844140214.db2.gz HIJDKZVZQSGHIA-RPWUZVMVSA-N 1 3 382.548 3.536 20 0 GHADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000173645238 836234257 /nfs/dbraw/zinc/23/42/57/836234257.db2.gz ZANSIHVDDBMFSO-HNNXBMFYSA-N 1 3 382.346 3.584 20 0 GHADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000173645238 836234270 /nfs/dbraw/zinc/23/42/70/836234270.db2.gz ZANSIHVDDBMFSO-HNNXBMFYSA-N 1 3 382.346 3.584 20 0 GHADHO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cn2)n1 ZINC000548483932 844148761 /nfs/dbraw/zinc/14/87/61/844148761.db2.gz FGMSTGSAGCIAGC-NZQKXSOJSA-N 1 3 389.547 3.884 20 0 GHADHO FC(F)(F)Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000570041825 836318765 /nfs/dbraw/zinc/31/87/65/836318765.db2.gz BLTFDDFNXDTSRV-AQNXPRMDSA-N 1 3 392.469 3.978 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3cccc(Br)c3C2)C[C@@H](C)O1 ZINC000549719653 844161197 /nfs/dbraw/zinc/16/11/97/844161197.db2.gz AZIVINWXCNUYQV-NUJGCVRESA-N 1 3 395.385 3.785 20 0 GHADHO COC[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000414294995 836947976 /nfs/dbraw/zinc/94/79/76/836947976.db2.gz CUNRXKWVZIZCSF-NRFANRHFSA-N 1 3 388.939 3.644 20 0 GHADHO CC[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1OC ZINC000414321790 837098565 /nfs/dbraw/zinc/09/85/65/837098565.db2.gz FMTMBTCOXDWFAT-JOCHJYFZSA-N 1 3 395.547 3.633 20 0 GHADHO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2c(c1)CNC2 ZINC000659021453 837273553 /nfs/dbraw/zinc/27/35/53/837273553.db2.gz DSMLRVFACGQIBQ-OAQYLSRUSA-N 1 3 390.531 3.714 20 0 GHADHO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2c(c1)CNC2 ZINC000659021453 837273561 /nfs/dbraw/zinc/27/35/61/837273561.db2.gz DSMLRVFACGQIBQ-OAQYLSRUSA-N 1 3 390.531 3.714 20 0 GHADHO CC(C)[C@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[NH+]1CCC(C)CC1 ZINC000510301045 838139103 /nfs/dbraw/zinc/13/91/03/838139103.db2.gz ZXGMHEAIUIVPPE-FQEVSTJZSA-N 1 3 385.552 3.981 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659284663 838208292 /nfs/dbraw/zinc/20/82/92/838208292.db2.gz LZZWPDDLHWKCLI-UKILVPOCSA-N 1 3 389.543 3.736 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659284663 838208304 /nfs/dbraw/zinc/20/83/04/838208304.db2.gz LZZWPDDLHWKCLI-UKILVPOCSA-N 1 3 389.543 3.736 20 0 GHADHO CC1(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000659364085 838324618 /nfs/dbraw/zinc/32/46/18/838324618.db2.gz HAQQRPMGFMDUPO-QFIPXVFZSA-N 1 3 393.531 3.588 20 0 GHADHO CCCC[C@H](C)N(CCCC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000458126015 844348847 /nfs/dbraw/zinc/34/88/47/844348847.db2.gz LOCSHGYAIJNPID-IBGZPJMESA-N 1 3 380.621 3.935 20 0 GHADHO [NH3+]Cc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653136667 838657756 /nfs/dbraw/zinc/65/77/56/838657756.db2.gz ZTLQBLKPJKFHLR-QWHCGFSZSA-N 1 3 384.320 3.850 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccsc1 ZINC000236819741 838803701 /nfs/dbraw/zinc/80/37/01/838803701.db2.gz NVUXYJDCYJOEFE-FQEVSTJZSA-N 1 3 385.577 3.569 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127319 839236039 /nfs/dbraw/zinc/23/60/39/839236039.db2.gz QYJIWUNPTWJZNT-PZJWPPBQSA-N 1 3 376.541 3.592 20 0 GHADHO Cc1cc(NC(=O)c2oc3ccccc3c2CN(C)C)ccc1OCC[NH+](C)C ZINC000458186920 844426717 /nfs/dbraw/zinc/42/67/17/844426717.db2.gz AGYAVBNPDJOEPT-UHFFFAOYSA-N 1 3 395.503 3.996 20 0 GHADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000416827527 840204478 /nfs/dbraw/zinc/20/44/78/840204478.db2.gz CVLPPUJMEQCXRI-IBGZPJMESA-N 1 3 392.613 3.695 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1cccc(OC)c1 ZINC000416928361 840287716 /nfs/dbraw/zinc/28/77/16/840287716.db2.gz UTRLJPSZKOIZHE-VGSWGCGISA-N 1 3 398.551 3.597 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000417352480 840771248 /nfs/dbraw/zinc/77/12/48/840771248.db2.gz GKLFCINMLDMIRN-VJBWXMMDSA-N 1 3 398.595 3.696 20 0 GHADHO C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000500100379 841435003 /nfs/dbraw/zinc/43/50/03/841435003.db2.gz SSESUWBXSJCRFZ-IBGZPJMESA-N 1 3 399.510 3.617 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N(CCC)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418177568 841616539 /nfs/dbraw/zinc/61/65/39/841616539.db2.gz HVIGIZVGTHLSTD-FQEVSTJZSA-N 1 3 394.991 3.897 20 0 GHADHO CN(Cc1cc(Cl)cc(C[N@H+](C)CC2=CCCOC2)c1)CC1=CCCOC1 ZINC000661652771 841990062 /nfs/dbraw/zinc/99/00/62/841990062.db2.gz NZUNUXHOWYLUFH-UHFFFAOYSA-N 1 3 390.955 3.897 20 0 GHADHO CN(Cc1cc(Cl)cc(C[N@@H+](C)CC2=CCCOC2)c1)CC1=CCCOC1 ZINC000661652771 841990065 /nfs/dbraw/zinc/99/00/65/841990065.db2.gz NZUNUXHOWYLUFH-UHFFFAOYSA-N 1 3 390.955 3.897 20 0 GHADHO COc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1OCc1ccccc1 ZINC000563135986 841992440 /nfs/dbraw/zinc/99/24/40/841992440.db2.gz QFKUOECMMZWZIS-QPPBQGQZSA-N 1 3 396.531 3.602 20 0 GHADHO CCOC(=O)c1csc(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000276487010 842003905 /nfs/dbraw/zinc/00/39/05/842003905.db2.gz GZAKICAMYLHWKO-AEFFLSMTSA-N 1 3 387.549 3.505 20 0 GHADHO CCOC(=O)c1csc(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000276487010 842003929 /nfs/dbraw/zinc/00/39/29/842003929.db2.gz GZAKICAMYLHWKO-AEFFLSMTSA-N 1 3 387.549 3.505 20 0 GHADHO Clc1scc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000432238496 842330059 /nfs/dbraw/zinc/33/00/59/842330059.db2.gz ROWDJNOJQICGJZ-UHFFFAOYSA-N 1 3 385.364 3.752 20 0 GHADHO Cc1ccc([C@@H](OC[C@H](O)CNC2CC[NH+](C(C)C)CC2)c2ccccc2)cc1 ZINC000581879524 842366141 /nfs/dbraw/zinc/36/61/41/842366141.db2.gz NDNUGAWSSMLCML-RPBOFIJWSA-N 1 3 396.575 3.924 20 0 GHADHO COc1cccc(C(=O)N2CCC(N[C@H](CC[NH+](C)C)c3ccccc3)CC2)c1 ZINC001167846395 842539292 /nfs/dbraw/zinc/53/92/92/842539292.db2.gz DHIMQMURUSZYRD-HSZRJFAPSA-N 1 3 395.547 3.582 20 0 GHADHO CCCOc1cc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000512188303 842842690 /nfs/dbraw/zinc/84/26/90/842842690.db2.gz YCYSOOIQAKSBEG-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO CCCOc1cc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000512188303 842842692 /nfs/dbraw/zinc/84/26/92/842842692.db2.gz YCYSOOIQAKSBEG-KDURUIRLSA-N 1 3 390.568 3.805 20 0 GHADHO CC(C)c1cccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000663314577 843101177 /nfs/dbraw/zinc/10/11/77/843101177.db2.gz ANUCJFCAYMEVEY-QHCPKHFHSA-N 1 3 379.548 3.797 20 0 GHADHO CC(C)c1cccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000663314577 843101186 /nfs/dbraw/zinc/10/11/86/843101186.db2.gz ANUCJFCAYMEVEY-QHCPKHFHSA-N 1 3 379.548 3.797 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000662388695 843170040 /nfs/dbraw/zinc/17/00/40/843170040.db2.gz SJDJSJVZYFXUFD-WZONZLPQSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000662388695 843170046 /nfs/dbraw/zinc/17/00/46/843170046.db2.gz SJDJSJVZYFXUFD-WZONZLPQSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662388212 843184324 /nfs/dbraw/zinc/18/43/24/843184324.db2.gz KKIYNPKCOCMKLG-MRXNPFEDSA-N 1 3 383.561 3.556 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662388212 843184328 /nfs/dbraw/zinc/18/43/28/843184328.db2.gz KKIYNPKCOCMKLG-MRXNPFEDSA-N 1 3 383.561 3.556 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662424298 843217355 /nfs/dbraw/zinc/21/73/55/843217355.db2.gz UJHBKOMRVUIBJZ-QHCPKHFHSA-N 1 3 377.532 3.913 20 0 GHADHO CN(C(=O)CC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663368474 843331523 /nfs/dbraw/zinc/33/15/23/843331523.db2.gz FYTQIKZJHSFTTG-JOCHJYFZSA-N 1 3 391.559 3.931 20 0 GHADHO COc1ccccc1-c1nc(C2CC[NH+](CC[C@@H]3CCCCN3C)CC2)no1 ZINC000276846904 843544732 /nfs/dbraw/zinc/54/47/32/843544732.db2.gz SXBZZWNQOKVDKS-SFHVURJKSA-N 1 3 384.524 3.799 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@H]2[C@H](OCc3cccc(C)n3)CC[C@@H]21 ZINC001167821097 843696657 /nfs/dbraw/zinc/69/66/57/843696657.db2.gz AQMXPXJPCNISED-KZKAQZJJSA-N 1 3 389.584 3.649 20 0 GHADHO CCN1CCN(c2ccccc2CNc2cccc3c2OCC[C@H]3[NH+](C)C)CC1 ZINC000433202591 843825344 /nfs/dbraw/zinc/82/53/44/843825344.db2.gz RUCKQIVNPVLXQR-HSZRJFAPSA-N 1 3 394.563 3.826 20 0 GHADHO C(CN1CCCC2(CCC[N@H+](CCC3CCOCC3)C2)C1)C1CCOCC1 ZINC000433205497 843830124 /nfs/dbraw/zinc/83/01/24/843830124.db2.gz CWXNQTRILFVILX-UHFFFAOYSA-N 1 3 378.601 3.798 20 0 GHADHO C(CN1CCCC2(CCC[N@@H+](CCC3CCOCC3)C2)C1)C1CCOCC1 ZINC000433205497 843830133 /nfs/dbraw/zinc/83/01/33/843830133.db2.gz CWXNQTRILFVILX-UHFFFAOYSA-N 1 3 378.601 3.798 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)C1 ZINC000510991875 844756951 /nfs/dbraw/zinc/75/69/51/844756951.db2.gz BESUDPZMTFYOTO-HUVFLSCGSA-N 1 3 397.607 3.853 20 0 GHADHO CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCC1 ZINC000512617933 844775892 /nfs/dbraw/zinc/77/58/92/844775892.db2.gz HAMVVXSFDZARRW-BHDDXSALSA-N 1 3 383.580 3.525 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000512646858 844875699 /nfs/dbraw/zinc/87/56/99/844875699.db2.gz DQMNMHZBIPTTAV-MHMIHQHRSA-N 1 3 383.580 3.524 20 0 GHADHO CC(C)CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000509924191 845098146 /nfs/dbraw/zinc/09/81/46/845098146.db2.gz LAGDJATWEOOXIT-HXUWFJFHSA-N 1 3 389.559 3.617 20 0 GHADHO CCCN(CC(F)(F)F)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000625327511 861585213 /nfs/dbraw/zinc/58/52/13/861585213.db2.gz YNTCCJCCDHOMCD-IRXDYDNUSA-N 1 3 399.501 3.534 20 0 GHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433964319 845675061 /nfs/dbraw/zinc/67/50/61/845675061.db2.gz IOMRIVNLYSHJHE-JTHBVZDNSA-N 1 3 398.595 3.557 20 0 GHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433964319 845675067 /nfs/dbraw/zinc/67/50/67/845675067.db2.gz IOMRIVNLYSHJHE-JTHBVZDNSA-N 1 3 398.595 3.557 20 0 GHADHO OC1(CNCc2cnc(-c3ccco3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000414528963 846322656 /nfs/dbraw/zinc/32/26/56/846322656.db2.gz UZJXLCYYEUCEPD-UHFFFAOYSA-N 1 3 383.517 3.520 20 0 GHADHO OC1(C[NH2+]Cc2cnc(-c3ccco3)s2)CCN(Cc2ccccc2)CC1 ZINC000414528963 846322668 /nfs/dbraw/zinc/32/26/68/846322668.db2.gz UZJXLCYYEUCEPD-UHFFFAOYSA-N 1 3 383.517 3.520 20 0 GHADHO c1csc(C[N@H+]2CCC[C@H](CNCc3ccc(O[C@@H]4CCOC4)cc3)C2)c1 ZINC000657338016 846341089 /nfs/dbraw/zinc/34/10/89/846341089.db2.gz GHCWTBGBTIJYCH-TZIWHRDSSA-N 1 3 386.561 3.918 20 0 GHADHO c1csc(C[N@@H+]2CCC[C@H](CNCc3ccc(O[C@@H]4CCOC4)cc3)C2)c1 ZINC000657338016 846341103 /nfs/dbraw/zinc/34/11/03/846341103.db2.gz GHCWTBGBTIJYCH-TZIWHRDSSA-N 1 3 386.561 3.918 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000502896273 846589842 /nfs/dbraw/zinc/58/98/42/846589842.db2.gz UJJCUGDIWGLUEY-RBBKRZOGSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000502896273 846589851 /nfs/dbraw/zinc/58/98/51/846589851.db2.gz UJJCUGDIWGLUEY-RBBKRZOGSA-N 1 3 386.584 3.777 20 0 GHADHO COc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1SC ZINC000414557157 846656535 /nfs/dbraw/zinc/65/65/35/846656535.db2.gz ZOIJBYGGIUWKHR-UHFFFAOYSA-N 1 3 386.561 3.534 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501160965 846691018 /nfs/dbraw/zinc/69/10/18/846691018.db2.gz DBJJERWJRDQKSU-YQVWRLOYSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501160965 846691024 /nfs/dbraw/zinc/69/10/24/846691024.db2.gz DBJJERWJRDQKSU-YQVWRLOYSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccsc1 ZINC000501162381 846693781 /nfs/dbraw/zinc/69/37/81/846693781.db2.gz JOVFADVMPLOTNZ-IBGZPJMESA-N 1 3 380.602 3.552 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccsc1 ZINC000501162406 846694000 /nfs/dbraw/zinc/69/40/00/846694000.db2.gz GTFKCGZKOINPFT-SFHVURJKSA-N 1 3 380.602 3.695 20 0 GHADHO CCN1CC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@H](C)C1 ZINC000503031023 846725464 /nfs/dbraw/zinc/72/54/64/846725464.db2.gz IBAWYBMDQPJPBL-ABAIWWIYSA-N 1 3 392.712 3.765 20 0 GHADHO COc1ccc([C@@H](C[NH3+])CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000420296903 847097136 /nfs/dbraw/zinc/09/71/36/847097136.db2.gz CONSBVWZHQXGIS-IBGZPJMESA-N 1 3 396.510 3.831 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000501755927 847166406 /nfs/dbraw/zinc/16/64/06/847166406.db2.gz MXHXTYSJLNUAHJ-GUDVDZBRSA-N 1 3 392.613 3.552 20 0 GHADHO CCN(C(=O)CN1CCC(CCC[NH+](C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000501773775 847175469 /nfs/dbraw/zinc/17/54/69/847175469.db2.gz LNDVFJWBLNGXOD-GOSISDBHSA-N 1 3 377.548 3.789 20 0 GHADHO CC(C)n1ccnc1CNCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000657427211 847212223 /nfs/dbraw/zinc/21/22/23/847212223.db2.gz QYFWCUCXTVYYJV-PMACEKPBSA-N 1 3 384.568 3.763 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccco1 ZINC000501840631 847272712 /nfs/dbraw/zinc/27/27/12/847272712.db2.gz LIOQGCXWMRWQHU-PNYFIKQUSA-N 1 3 390.572 3.661 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000501840631 847272720 /nfs/dbraw/zinc/27/27/20/847272720.db2.gz LIOQGCXWMRWQHU-PNYFIKQUSA-N 1 3 390.572 3.661 20 0 GHADHO COCC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000237129703 847807313 /nfs/dbraw/zinc/80/73/13/847807313.db2.gz OVPJUIGAOGWVCM-UHFFFAOYSA-N 1 3 396.560 3.801 20 0 GHADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000423062296 847957869 /nfs/dbraw/zinc/95/78/69/847957869.db2.gz SVEVOQHKFXZVFF-OKZBNKHCSA-N 1 3 386.433 3.623 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000423071730 847963703 /nfs/dbraw/zinc/96/37/03/847963703.db2.gz ICELNYXTEWPCKS-GBESFXJTSA-N 1 3 399.560 3.997 20 0 GHADHO FC(F)COc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657613612 848339783 /nfs/dbraw/zinc/33/97/83/848339783.db2.gz OBXLYLFIEFTKNC-UHFFFAOYSA-N 1 3 375.463 3.727 20 0 GHADHO CC(C)CC1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001167633345 848625817 /nfs/dbraw/zinc/62/58/17/848625817.db2.gz DRIIUFCOWCZOFM-HXUWFJFHSA-N 1 3 385.596 3.914 20 0 GHADHO CCN1CCCC[C@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000600441777 861969862 /nfs/dbraw/zinc/96/98/62/861969862.db2.gz NKHRVXXBILEQFL-PMACEKPBSA-N 1 3 387.568 3.544 20 0 GHADHO CCN1CCCC[C@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000600441777 861969877 /nfs/dbraw/zinc/96/98/77/861969877.db2.gz NKHRVXXBILEQFL-PMACEKPBSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414853193 849758486 /nfs/dbraw/zinc/75/84/86/849758486.db2.gz SEDNDHCWNHMEMH-GUYCJALGSA-N 1 3 387.446 3.800 20 0 GHADHO FC(F)Oc1ccc([C@@H](NCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423199777 849802398 /nfs/dbraw/zinc/80/23/98/849802398.db2.gz CRANZAXGKGYUJG-IBGZPJMESA-N 1 3 395.881 3.526 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000423340652 849874628 /nfs/dbraw/zinc/87/46/28/849874628.db2.gz SUSAEWFXFMUOOV-WTNAPCKOSA-N 1 3 398.547 3.687 20 0 GHADHO COCC1(CN[C@H](c2ccco2)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000423403426 849909621 /nfs/dbraw/zinc/90/96/21/849909621.db2.gz HNKOQPQTUDSEAO-SFHVURJKSA-N 1 3 393.325 3.737 20 0 GHADHO COCC1(CN[C@@H](c2ccco2)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000423403425 849909783 /nfs/dbraw/zinc/90/97/83/849909783.db2.gz HNKOQPQTUDSEAO-GOSISDBHSA-N 1 3 393.325 3.737 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423407116 849911920 /nfs/dbraw/zinc/91/19/20/849911920.db2.gz VJFHENQWTUMJII-WDMOLILDSA-N 1 3 377.838 3.664 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423407116 849911927 /nfs/dbraw/zinc/91/19/27/849911927.db2.gz VJFHENQWTUMJII-WDMOLILDSA-N 1 3 377.838 3.664 20 0 GHADHO C[C@H]1C[C@H](CCNC(=O)c2ccccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000486912458 850228680 /nfs/dbraw/zinc/22/86/80/850228680.db2.gz UPJBIGJQIITCFL-FPOVZHCZSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@H]1C[C@H](CCNC(=O)c2ccccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000486912458 850228689 /nfs/dbraw/zinc/22/86/89/850228689.db2.gz UPJBIGJQIITCFL-FPOVZHCZSA-N 1 3 379.548 3.779 20 0 GHADHO CC(C)(C)OC(=O)N1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964900 850255090 /nfs/dbraw/zinc/25/50/90/850255090.db2.gz ZVKJEZBJMQGJFK-NXEWRWPSSA-N 1 3 377.573 3.771 20 0 GHADHO CC(C)(C)OC(=O)N1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964900 850255096 /nfs/dbraw/zinc/25/50/96/850255096.db2.gz ZVKJEZBJMQGJFK-NXEWRWPSSA-N 1 3 377.573 3.771 20 0 GHADHO C[NH+](C)CCCOc1ccc(CNCc2cnc(-c3ccncc3)s2)cc1 ZINC000440341372 851082245 /nfs/dbraw/zinc/08/22/45/851082245.db2.gz MHIVODKDQBSXOC-UHFFFAOYSA-N 1 3 382.533 3.825 20 0 GHADHO O=C(CCN1CCC(CCC[NH+]2CCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000488145171 851202407 /nfs/dbraw/zinc/20/24/07/851202407.db2.gz GQWLIGNHSLCQMP-UHFFFAOYSA-N 1 3 386.536 3.619 20 0 GHADHO COCC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000425953068 852070600 /nfs/dbraw/zinc/07/06/00/852070600.db2.gz RBBYRQNSKILKBS-XPWALMASSA-N 1 3 386.580 3.710 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000517705588 852295143 /nfs/dbraw/zinc/29/51/43/852295143.db2.gz VFXZFITUNFTBKV-FQEVSTJZSA-N 1 3 396.579 3.800 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000506311255 852666889 /nfs/dbraw/zinc/66/68/89/852666889.db2.gz VQXIVTFUJNNMMC-RXVVDRJESA-N 1 3 396.535 3.584 20 0 GHADHO COc1ccccc1-c1ncc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000490557449 853102754 /nfs/dbraw/zinc/10/27/54/853102754.db2.gz QCXHFTCYGMBFQI-RTBURBONSA-N 1 3 382.552 4.000 20 0 GHADHO C[C@@H]1CN(CCCOc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490991169 853391947 /nfs/dbraw/zinc/39/19/47/853391947.db2.gz AFCUNSZEHOVDPP-OFNKIYASSA-N 1 3 387.612 3.711 20 0 GHADHO C[C@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000518543608 853480565 /nfs/dbraw/zinc/48/05/65/853480565.db2.gz OGIOCOCIJDDOPU-ZCVJKFOLSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000518543608 853480571 /nfs/dbraw/zinc/48/05/71/853480571.db2.gz OGIOCOCIJDDOPU-ZCVJKFOLSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998535 853649989 /nfs/dbraw/zinc/64/99/89/853649989.db2.gz ICTZAUNZQPDNJA-KXHCOYLBSA-N 1 3 381.539 3.944 20 0 GHADHO Cc1ccc(Br)cc1[C@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000623896542 862495145 /nfs/dbraw/zinc/49/51/45/862495145.db2.gz UQOULDKHTABRFL-HOTGVXAUSA-N 1 3 381.358 3.909 20 0 GHADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891163 862504912 /nfs/dbraw/zinc/50/49/12/862504912.db2.gz GCFBNZAXNBJKIB-OLZOCXBDSA-N 1 3 391.300 3.615 20 0 GHADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891163 862504925 /nfs/dbraw/zinc/50/49/25/862504925.db2.gz GCFBNZAXNBJKIB-OLZOCXBDSA-N 1 3 391.300 3.615 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)N(C)C)cc1 ZINC000520108721 853851604 /nfs/dbraw/zinc/85/16/04/853851604.db2.gz TXENBHPEDWVNAY-GMAHTHKFSA-N 1 3 397.538 3.765 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)N(C)C)cc1 ZINC000520108721 853851608 /nfs/dbraw/zinc/85/16/08/853851608.db2.gz TXENBHPEDWVNAY-GMAHTHKFSA-N 1 3 397.538 3.765 20 0 GHADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000520166209 853919504 /nfs/dbraw/zinc/91/95/04/853919504.db2.gz IKOAXTNCALZSSB-FQEVSTJZSA-N 1 3 387.543 3.515 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCC(C)(C)c3ccccc32)c1 ZINC000481924362 862530117 /nfs/dbraw/zinc/53/01/17/862530117.db2.gz KUIIBZZGFNHJFN-QFIPXVFZSA-N 1 3 379.548 3.880 20 0 GHADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc4c(c3)CNC4)ccc21 ZINC000520402441 854173576 /nfs/dbraw/zinc/17/35/76/854173576.db2.gz QVWCRGMPLTUSBM-UHFFFAOYSA-N 1 3 376.504 3.839 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000458890273 854467410 /nfs/dbraw/zinc/46/74/10/854467410.db2.gz JXRXIDDTQSFDLY-UYAOXDASSA-N 1 3 392.613 3.527 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000458890273 854467418 /nfs/dbraw/zinc/46/74/18/854467418.db2.gz JXRXIDDTQSFDLY-UYAOXDASSA-N 1 3 392.613 3.527 20 0 GHADHO COC1CCN(C2(C[NH2+][C@@H]3CCN(C)[C@H](c4ccccc4)C3)CCCC2)CC1 ZINC000572467965 854537090 /nfs/dbraw/zinc/53/70/90/854537090.db2.gz PZOCXBAHRWBKSH-GGAORHGYSA-N 1 3 385.596 3.835 20 0 GHADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589998846 855221066 /nfs/dbraw/zinc/22/10/66/855221066.db2.gz ZRPUCAODBJAWQU-QHAWAJNXSA-N 1 3 385.596 3.723 20 0 GHADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589998846 855221072 /nfs/dbraw/zinc/22/10/72/855221072.db2.gz ZRPUCAODBJAWQU-QHAWAJNXSA-N 1 3 385.596 3.723 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001168001883 855530518 /nfs/dbraw/zinc/53/05/18/855530518.db2.gz JXTNJUSRUYHSNV-YCRDUGMLSA-N 1 3 389.584 3.627 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001168001883 855530521 /nfs/dbraw/zinc/53/05/21/855530521.db2.gz JXTNJUSRUYHSNV-YCRDUGMLSA-N 1 3 389.584 3.627 20 0 GHADHO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCCN3CCCC3)cc1)CCC2 ZINC000180975644 862698618 /nfs/dbraw/zinc/69/86/18/862698618.db2.gz UBDQMNYLNFQHJM-XMMPIXPASA-N 1 3 391.559 3.988 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000520620351 855806767 /nfs/dbraw/zinc/80/67/67/855806767.db2.gz ZLVUTSUBGARQFS-GOTSBHOMSA-N 1 3 398.595 3.792 20 0 GHADHO CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629554359 862753634 /nfs/dbraw/zinc/75/36/34/862753634.db2.gz ZMNLNEKFDDIGQG-AEFFLSMTSA-N 1 3 396.366 3.866 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccc2)CC1 ZINC000057854835 856238702 /nfs/dbraw/zinc/23/87/02/856238702.db2.gz YVWHDPPVNUZTQZ-PKTZIBPZSA-N 1 3 398.595 3.729 20 0 GHADHO O=C(CCC(F)(F)F)N1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000573591571 856304493 /nfs/dbraw/zinc/30/44/93/856304493.db2.gz MJDQJBOUMHCZMP-QGZVFWFLSA-N 1 3 389.506 3.707 20 0 GHADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccc(OCc3ccccc3)cc1)CC[NH2+]CC2 ZINC000573793731 856476496 /nfs/dbraw/zinc/47/64/96/856476496.db2.gz SCZRUXYXUMMILF-LJQANCHMSA-N 1 3 393.531 3.668 20 0 GHADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000062229723 856673902 /nfs/dbraw/zinc/67/39/02/856673902.db2.gz DDHQHBCIVMYNQJ-HSZRJFAPSA-N 1 3 391.559 3.924 20 0 GHADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000062229723 856673905 /nfs/dbraw/zinc/67/39/05/856673905.db2.gz DDHQHBCIVMYNQJ-HSZRJFAPSA-N 1 3 391.559 3.924 20 0 GHADHO CC1CCN([C@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)c2cccs2)CC1 ZINC000508033990 856812923 /nfs/dbraw/zinc/81/29/23/856812923.db2.gz CIRFNXKMRQDGDS-GOSISDBHSA-N 1 3 392.613 3.552 20 0 GHADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000665254389 857086176 /nfs/dbraw/zinc/08/61/76/857086176.db2.gz PEMIKXISTHJLME-WTNAPCKOSA-N 1 3 398.547 3.769 20 0 GHADHO Cc1nc(CNCC2CCN(c3cc[nH+]cc3)CC2)sc1Br ZINC000921960042 857305953 /nfs/dbraw/zinc/30/59/53/857305953.db2.gz ADZINECGXWYDHT-UHFFFAOYSA-N 1 3 381.343 3.615 20 0 GHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058880057 857372158 /nfs/dbraw/zinc/37/21/58/857372158.db2.gz CYOBLICHXPMWJP-QFIPXVFZSA-N 1 3 397.538 3.628 20 0 GHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058880057 857372161 /nfs/dbraw/zinc/37/21/61/857372161.db2.gz CYOBLICHXPMWJP-QFIPXVFZSA-N 1 3 397.538 3.628 20 0 GHADHO C[C@](CO)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)Cc1ccccc1 ZINC000478177342 857773614 /nfs/dbraw/zinc/77/36/14/857773614.db2.gz OHFFMUTVRXPXHW-ZGFBMJKBSA-N 1 3 378.560 3.728 20 0 GHADHO C[C@](CO)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)Cc1ccccc1 ZINC000478177335 857773633 /nfs/dbraw/zinc/77/36/33/857773633.db2.gz OHFFMUTVRXPXHW-ZFFYZDHPSA-N 1 3 378.560 3.728 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065867823 857867721 /nfs/dbraw/zinc/86/77/21/857867721.db2.gz PWZGJMADLHCUST-FPOVZHCZSA-N 1 3 389.559 3.809 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065867823 857867730 /nfs/dbraw/zinc/86/77/30/857867730.db2.gz PWZGJMADLHCUST-FPOVZHCZSA-N 1 3 389.559 3.809 20 0 GHADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000065939325 857883132 /nfs/dbraw/zinc/88/31/32/857883132.db2.gz ZQBGHPCFZWQOLA-UHFFFAOYSA-N 1 3 383.511 3.626 20 0 GHADHO Cc1ccc([C@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114749141 858198765 /nfs/dbraw/zinc/19/87/65/858198765.db2.gz UZCXEBOVEXMKNZ-VQTJNVASSA-N 1 3 379.548 3.815 20 0 GHADHO COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000479062351 858824740 /nfs/dbraw/zinc/82/47/40/858824740.db2.gz PEAWARHCAUATAU-SIKLNZKXSA-N 1 3 380.532 3.845 20 0 GHADHO COc1cc2c(cc1OC)[C@@H](NCc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000479064859 858840352 /nfs/dbraw/zinc/84/03/52/858840352.db2.gz SLNATBYZYGZGQP-QFIPXVFZSA-N 1 3 396.531 3.956 20 0 GHADHO c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146495 858935861 /nfs/dbraw/zinc/93/58/61/858935861.db2.gz IIWBCAQNNJWBPE-JWQCQUIFSA-N 1 3 392.543 3.952 20 0 GHADHO c1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146495 858935866 /nfs/dbraw/zinc/93/58/66/858935866.db2.gz IIWBCAQNNJWBPE-JWQCQUIFSA-N 1 3 392.543 3.952 20 0 GHADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(-c2ccccc2)c1 ZINC000482885438 858941449 /nfs/dbraw/zinc/94/14/49/858941449.db2.gz HDFOIONDTGJENK-LJQANCHMSA-N 1 3 379.548 3.947 20 0 GHADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000185039003 859035111 /nfs/dbraw/zinc/03/51/11/859035111.db2.gz YYQODHZLLBCCIF-UFYCRDLUSA-N 1 3 380.598 3.505 20 0 GHADHO FC(F)Oc1cccc(Cl)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657535955 859318785 /nfs/dbraw/zinc/31/87/85/859318785.db2.gz USJFQQKNYUYWRS-UHFFFAOYSA-N 1 3 388.886 3.922 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(c3ccccc3)CCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168029534 859560322 /nfs/dbraw/zinc/56/03/22/859560322.db2.gz SWGHOTUNEROIFW-SWXWDQRWSA-N 1 3 393.575 3.923 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(c3ccccc3)CCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029534 859560327 /nfs/dbraw/zinc/56/03/27/859560327.db2.gz SWGHOTUNEROIFW-SWXWDQRWSA-N 1 3 393.575 3.923 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000895479377 859565612 /nfs/dbraw/zinc/56/56/12/859565612.db2.gz PFXYLJWKYIIALB-XDNAFOTISA-N 1 3 390.490 3.608 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(N(C)C)nc3ccccc23)[C@@H](C)C1 ZINC000483851005 859650208 /nfs/dbraw/zinc/65/02/08/859650208.db2.gz QCKQWVCBQBGDGV-GHTZIAJQSA-N 1 3 384.568 3.527 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc(N(C)C)nc3ccccc23)[C@@H](C)C1 ZINC000483851005 859650210 /nfs/dbraw/zinc/65/02/10/859650210.db2.gz QCKQWVCBQBGDGV-GHTZIAJQSA-N 1 3 384.568 3.527 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000765266879 859883515 /nfs/dbraw/zinc/88/35/15/859883515.db2.gz JKRWIURBBQFFKF-PGRDOPGGSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000765266879 859883529 /nfs/dbraw/zinc/88/35/29/859883529.db2.gz JKRWIURBBQFFKF-PGRDOPGGSA-N 1 3 379.504 3.643 20 0 GHADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(-c4cccs4)s3)C2)[C@H]1C(C)C ZINC000922395651 859906366 /nfs/dbraw/zinc/90/63/66/859906366.db2.gz XZVGCDULBPEMIA-QQTQMKHKSA-N 1 3 391.606 3.831 20 0 GHADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(-c4cccs4)s3)C2)[C@H]1C(C)C ZINC000922395651 859906369 /nfs/dbraw/zinc/90/63/69/859906369.db2.gz XZVGCDULBPEMIA-QQTQMKHKSA-N 1 3 391.606 3.831 20 0 GHADHO c1ccc(CN2CCCO[C@@H](CNC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000191832364 860359594 /nfs/dbraw/zinc/35/95/94/860359594.db2.gz VOMXCVMHNWAYGH-DEOSSOPVSA-N 1 3 385.596 3.664 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C[C@H](C)O1 ZINC000598965552 860693070 /nfs/dbraw/zinc/69/30/70/860693070.db2.gz YOUIGVMGNSPSNF-IYBDPMFKSA-N 1 3 382.570 3.682 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccccc2CN(C)C)CC1 ZINC000498572279 860744805 /nfs/dbraw/zinc/74/48/05/860744805.db2.gz YKZPXWUBZYMRHP-UHFFFAOYSA-N 1 3 379.548 3.910 20 0 GHADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603900 881577938 /nfs/dbraw/zinc/57/79/38/881577938.db2.gz GYCZEKDIPDVGDB-BJKOFHAPSA-N 1 3 397.563 3.633 20 0 GHADHO CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603900 881577944 /nfs/dbraw/zinc/57/79/44/881577944.db2.gz GYCZEKDIPDVGDB-BJKOFHAPSA-N 1 3 397.563 3.633 20 0 GHADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000481297482 860959077 /nfs/dbraw/zinc/95/90/77/860959077.db2.gz XATMDOSUIKQXSL-QGZVFWFLSA-N 1 3 389.565 3.751 20 0 GHADHO CCOC(=O)c1cccc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000600142500 861116118 /nfs/dbraw/zinc/11/61/18/861116118.db2.gz OXPWFLYGYGJVPW-UYAOXDASSA-N 1 3 381.520 3.649 20 0 GHADHO CCOC(=O)c1cccc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000600142500 861116128 /nfs/dbraw/zinc/11/61/28/861116128.db2.gz OXPWFLYGYGJVPW-UYAOXDASSA-N 1 3 381.520 3.649 20 0 GHADHO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062253031 863153003 /nfs/dbraw/zinc/15/30/03/863153003.db2.gz ZGGUOTDSPIIZOX-IRXDYDNUSA-N 1 3 390.959 3.813 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1N(C)C ZINC000182228060 863155939 /nfs/dbraw/zinc/15/59/39/863155939.db2.gz DPSXHSLUIMJRME-LAUBAEHRSA-N 1 3 385.527 3.699 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1N(C)C ZINC000182228060 863155946 /nfs/dbraw/zinc/15/59/46/863155946.db2.gz DPSXHSLUIMJRME-LAUBAEHRSA-N 1 3 385.527 3.699 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000734217371 864090487 /nfs/dbraw/zinc/09/04/87/864090487.db2.gz HQQURGXSQVHIMF-HSZRJFAPSA-N 1 3 394.563 3.554 20 0 GHADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000607173948 864135992 /nfs/dbraw/zinc/13/59/92/864135992.db2.gz HUOLBGMXJAIVEY-PCCBWWKXSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000607173948 864135995 /nfs/dbraw/zinc/13/59/95/864135995.db2.gz HUOLBGMXJAIVEY-PCCBWWKXSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)c1cc2ccccc2s1 ZINC000475155330 864318679 /nfs/dbraw/zinc/31/86/79/864318679.db2.gz IQRLDPZAHOGXMR-QFBILLFUSA-N 1 3 381.545 3.971 20 0 GHADHO CN1CCC([NH+]2CCC(NCc3ccc(-c4cccc(F)c4F)o3)CC2)CC1 ZINC000480360778 864547443 /nfs/dbraw/zinc/54/74/43/864547443.db2.gz GFKSDUHFGISMLM-UHFFFAOYSA-N 1 3 389.490 3.873 20 0 GHADHO CCCC[NH+]1CCC(N[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000164439669 864613772 /nfs/dbraw/zinc/61/37/72/864613772.db2.gz PSAKTPGFPLKJQI-KRWDZBQOSA-N 1 3 379.976 3.931 20 0 GHADHO COc1cc(CC[NH2+][C@H]2CCC[C@@H]2CN)cc(OC)c1OCc1ccccc1 ZINC000622044738 864721301 /nfs/dbraw/zinc/72/13/01/864721301.db2.gz QRPWNLYDXAOQKN-UXHICEINSA-N 1 3 384.520 3.542 20 0 GHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc3cccnc3c2)CC1 ZINC000608070290 864962548 /nfs/dbraw/zinc/96/25/48/864962548.db2.gz CJFCWSWGURIUCN-UHFFFAOYSA-N 1 3 380.923 3.930 20 0 GHADHO C[C@@H](NCc1ccc(N2CCCCC2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000480738661 865172344 /nfs/dbraw/zinc/17/23/44/865172344.db2.gz LFICIEIGYGIFKR-LJQANCHMSA-N 1 3 382.552 3.863 20 0 GHADHO CN(C)C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000555228645 865748513 /nfs/dbraw/zinc/74/85/13/865748513.db2.gz DAMIPYQGGVKOIK-JOCHJYFZSA-N 1 3 399.966 3.971 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000667827807 865919289 /nfs/dbraw/zinc/91/92/89/865919289.db2.gz XTTHZJNIFOELTB-UHFFFAOYSA-N 1 3 396.510 3.520 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCN(C)[C@@H]3c3ccccc3)C2)CC1 ZINC000533987346 865924672 /nfs/dbraw/zinc/92/46/72/865924672.db2.gz YJTAJOXKKBWPJH-MDNUFGMLSA-N 1 3 398.595 3.585 20 0 GHADHO O=[N+]([O-])c1ccc(CN2CCC(CCC[NH+]3CCOCC3)CC2)cc1Cl ZINC000185321347 865979197 /nfs/dbraw/zinc/97/91/97/865979197.db2.gz BFJATMYOTHBOOX-UHFFFAOYSA-N 1 3 381.904 3.573 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000192479394 865997262 /nfs/dbraw/zinc/99/72/62/865997262.db2.gz JPRGXIRIBIKUPD-UHFFFAOYSA-N 1 3 399.560 3.610 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)cc1CN1CCCCC1 ZINC000183096368 866222858 /nfs/dbraw/zinc/22/28/58/866222858.db2.gz VTGRCCFFIOYYNO-WFXMLNOXSA-N 1 3 376.541 3.526 20 0 GHADHO CC(C)N1CCC([NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 ZINC000133127833 881975386 /nfs/dbraw/zinc/97/53/86/881975386.db2.gz PMDVGCLCTREFPF-HXUWFJFHSA-N 1 3 399.501 3.541 20 0 GHADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000620192976 866527289 /nfs/dbraw/zinc/52/72/89/866527289.db2.gz XJLOHKTUWFTTIN-HSZRJFAPSA-N 1 3 391.559 3.780 20 0 GHADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000620192976 866527296 /nfs/dbraw/zinc/52/72/96/866527296.db2.gz XJLOHKTUWFTTIN-HSZRJFAPSA-N 1 3 391.559 3.780 20 0 GHADHO CCOc1ccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OCC ZINC000534349949 866597863 /nfs/dbraw/zinc/59/78/63/866597863.db2.gz JPECYVZKFHZKPG-RTBURBONSA-N 1 3 390.568 3.805 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000553143895 866874529 /nfs/dbraw/zinc/87/45/29/866874529.db2.gz SQROJXSTYRIIAC-LADGPHEKSA-N 1 3 397.607 3.710 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C[C@H](C)O1 ZINC000479054463 867066262 /nfs/dbraw/zinc/06/62/62/867066262.db2.gz GHMWCKWVBLKNMQ-XQBPLPMBSA-N 1 3 382.552 3.729 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463081 867807856 /nfs/dbraw/zinc/80/78/56/867807856.db2.gz IAZFYBIORHYGEV-XUZZJYLKSA-N 1 3 377.532 3.592 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463081 867807868 /nfs/dbraw/zinc/80/78/68/867807868.db2.gz IAZFYBIORHYGEV-XUZZJYLKSA-N 1 3 377.532 3.592 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484614 867853068 /nfs/dbraw/zinc/85/30/68/867853068.db2.gz IASLIJISBAYHIP-SIKLNZKXSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484614 867853075 /nfs/dbraw/zinc/85/30/75/867853075.db2.gz IASLIJISBAYHIP-SIKLNZKXSA-N 1 3 397.950 3.814 20 0 GHADHO c1ccc(C2(NCCC[NH2+]C3(c4ccccc4)CCOCC3)CCOCC2)cc1 ZINC000535008874 867925551 /nfs/dbraw/zinc/92/55/51/867925551.db2.gz JVSIJJPINDXZJQ-UHFFFAOYSA-N 1 3 394.559 3.968 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000155627891 867989937 /nfs/dbraw/zinc/98/99/37/867989937.db2.gz LQEVWXDBNZOTHH-PBHICJAKSA-N 1 3 386.367 3.823 20 0 GHADHO COc1ccc([C@H](CN(C)C)NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)cc1 ZINC000857247833 882142699 /nfs/dbraw/zinc/14/26/99/882142699.db2.gz GBDKTPIRPVSUPD-GMAHTHKFSA-N 1 3 395.547 3.537 20 0 GHADHO COc1ccc([C@H](CN(C)C)NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857247833 882142708 /nfs/dbraw/zinc/14/27/08/882142708.db2.gz GBDKTPIRPVSUPD-GMAHTHKFSA-N 1 3 395.547 3.537 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)c2cccs2)CC1 ZINC000457484055 868345372 /nfs/dbraw/zinc/34/53/72/868345372.db2.gz NSCXGAHSKIBJEN-SFHVURJKSA-N 1 3 394.629 3.941 20 0 GHADHO Cc1cc(C)cc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156887538 868492658 /nfs/dbraw/zinc/49/26/58/868492658.db2.gz GTLKCZPCZPVMMS-UGKGYDQZSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1cc(C)cc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156887538 868492665 /nfs/dbraw/zinc/49/26/65/868492665.db2.gz GTLKCZPCZPVMMS-UGKGYDQZSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000156913150 868499986 /nfs/dbraw/zinc/49/99/86/868499986.db2.gz KXURVIULCHTDFN-CVDCTZTESA-N 1 3 379.548 3.852 20 0 GHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000156913150 868499992 /nfs/dbraw/zinc/49/99/92/868499992.db2.gz KXURVIULCHTDFN-CVDCTZTESA-N 1 3 379.548 3.852 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C[C@@H]1C ZINC000524880082 869726301 /nfs/dbraw/zinc/72/63/01/869726301.db2.gz LDWOVKBDIWCIAQ-MZKRTTBSSA-N 1 3 385.596 3.661 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C[C@@H]1C ZINC000524880082 869726307 /nfs/dbraw/zinc/72/63/07/869726307.db2.gz LDWOVKBDIWCIAQ-MZKRTTBSSA-N 1 3 385.596 3.661 20 0 GHADHO CCc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)o2)cc1 ZINC000539823127 869854353 /nfs/dbraw/zinc/85/43/53/869854353.db2.gz RMBYZQRUNLHLDD-AUSIDOKSSA-N 1 3 381.564 3.967 20 0 GHADHO CCc1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)o2)cc1 ZINC000539823127 869854368 /nfs/dbraw/zinc/85/43/68/869854368.db2.gz RMBYZQRUNLHLDD-AUSIDOKSSA-N 1 3 381.564 3.967 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000462674604 869881329 /nfs/dbraw/zinc/88/13/29/869881329.db2.gz KLXDETGDJHEGBN-HUUCEWRRSA-N 1 3 384.467 3.864 20 0 GHADHO Cc1nc2ccc(Br)cc2c(N2CC[NH+](CC(C)(C)O)CC2)c1C ZINC000462805414 870130530 /nfs/dbraw/zinc/13/05/30/870130530.db2.gz URUFDADDRYHLNV-UHFFFAOYSA-N 1 3 392.341 3.507 20 0 GHADHO CC(=O)N1CC[C@H](N[C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462815613 870145081 /nfs/dbraw/zinc/14/50/81/870145081.db2.gz YEPYKDGWNLZMJA-FCHUYYIVSA-N 1 3 375.532 3.589 20 0 GHADHO C[C@H]1CCCC[C@H]1N(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043697 870292337 /nfs/dbraw/zinc/29/23/37/870292337.db2.gz DQJMHJZNKMSSEX-SIKLNZKXSA-N 1 3 386.584 3.657 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000462905850 870354556 /nfs/dbraw/zinc/35/45/56/870354556.db2.gz FFGUZGATTDIXME-HXUWFJFHSA-N 1 3 396.554 3.584 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000248433974 870414640 /nfs/dbraw/zinc/41/46/40/870414640.db2.gz DNVSRVRCJVCKOO-HNAYVOBHSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000248433974 870414651 /nfs/dbraw/zinc/41/46/51/870414651.db2.gz DNVSRVRCJVCKOO-HNAYVOBHSA-N 1 3 376.447 3.705 20 0 GHADHO Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CCCO2 ZINC000248437906 870419709 /nfs/dbraw/zinc/41/97/09/870419709.db2.gz HKOXPFXLQNOXOX-JTHBVZDNSA-N 1 3 380.532 3.955 20 0 GHADHO Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CCCO2 ZINC000248437906 870419716 /nfs/dbraw/zinc/41/97/16/870419716.db2.gz HKOXPFXLQNOXOX-JTHBVZDNSA-N 1 3 380.532 3.955 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248445921 870426213 /nfs/dbraw/zinc/42/62/13/870426213.db2.gz MRPJVZHCUBNISW-WIYYLYMNSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248445921 870426234 /nfs/dbraw/zinc/42/62/34/870426234.db2.gz MRPJVZHCUBNISW-WIYYLYMNSA-N 1 3 386.923 3.910 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)s1 ZINC000248452042 870430841 /nfs/dbraw/zinc/43/08/41/870430841.db2.gz PRRIQXSSIXYGKB-XJKSGUPXSA-N 1 3 395.366 3.928 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)s1 ZINC000248452042 870430848 /nfs/dbraw/zinc/43/08/48/870430848.db2.gz PRRIQXSSIXYGKB-XJKSGUPXSA-N 1 3 395.366 3.928 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000248465020 870444270 /nfs/dbraw/zinc/44/42/70/870444270.db2.gz ZWHCXPZZTSYHKU-VWNXMTODSA-N 1 3 392.543 3.745 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000248465020 870444275 /nfs/dbraw/zinc/44/42/75/870444275.db2.gz ZWHCXPZZTSYHKU-VWNXMTODSA-N 1 3 392.543 3.745 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000540158819 870619321 /nfs/dbraw/zinc/61/93/21/870619321.db2.gz ZNAHZHXVUVYMSQ-RZAIGCCYSA-N 1 3 385.321 3.617 20 0 GHADHO CC(C)[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000540300837 870943684 /nfs/dbraw/zinc/94/36/84/870943684.db2.gz TYZORQRRHCWDPI-OAQYLSRUSA-N 1 3 383.492 3.961 20 0 GHADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000540315584 870965681 /nfs/dbraw/zinc/96/56/81/870965681.db2.gz GZJKSZJRKMDZRN-AQNXPRMDSA-N 1 3 393.369 3.868 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000447094880 871015703 /nfs/dbraw/zinc/01/57/03/871015703.db2.gz AUJQACQMOQHNFH-IHLLOCCUSA-N 1 3 398.522 3.899 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000447094880 871015719 /nfs/dbraw/zinc/01/57/19/871015719.db2.gz AUJQACQMOQHNFH-IHLLOCCUSA-N 1 3 398.522 3.899 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000538983460 871047445 /nfs/dbraw/zinc/04/74/45/871047445.db2.gz AJMBWYKVIFGLDI-UWJYYQICSA-N 1 3 389.515 3.750 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000538983460 871047469 /nfs/dbraw/zinc/04/74/69/871047469.db2.gz AJMBWYKVIFGLDI-UWJYYQICSA-N 1 3 389.515 3.750 20 0 GHADHO Cc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc(C)c1I ZINC001205653375 871502549 /nfs/dbraw/zinc/50/25/49/871502549.db2.gz UARACJNHMAWKOK-MLGOLLRUSA-N 1 3 386.321 3.715 20 0 GHADHO CCN(CC)C(=O)C[C@@H](C)N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001169450705 871512504 /nfs/dbraw/zinc/51/25/04/871512504.db2.gz BNVYZGJNQFTILP-MRXNPFEDSA-N 1 3 399.501 3.688 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000539307134 871699142 /nfs/dbraw/zinc/69/91/42/871699142.db2.gz QJYMKZKWYFRGKY-UIFIKXQLSA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000539307134 871699150 /nfs/dbraw/zinc/69/91/50/871699150.db2.gz QJYMKZKWYFRGKY-UIFIKXQLSA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000539307132 871699390 /nfs/dbraw/zinc/69/93/90/871699390.db2.gz QJYMKZKWYFRGKY-QMMLZNLJSA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000539307132 871699392 /nfs/dbraw/zinc/69/93/92/871699392.db2.gz QJYMKZKWYFRGKY-QMMLZNLJSA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)C1 ZINC000539307275 871702216 /nfs/dbraw/zinc/70/22/16/871702216.db2.gz RQUGAJVZDVKGBA-GMQQQROESA-N 1 3 392.609 3.610 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)C1 ZINC000539307275 871702223 /nfs/dbraw/zinc/70/22/23/871702223.db2.gz RQUGAJVZDVKGBA-GMQQQROESA-N 1 3 392.609 3.610 20 0 GHADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001169689678 871759262 /nfs/dbraw/zinc/75/92/62/871759262.db2.gz HVUJGLIQDDWBCJ-IRLDBZIGSA-N 1 3 376.504 3.840 20 0 GHADHO Cc1c([C@H](C)NCCOCC[NH+](C)C)cnn1-c1ccc(Cl)cc1Cl ZINC000447601031 871956429 /nfs/dbraw/zinc/95/64/29/871956429.db2.gz OPFDPOVZFNYUBI-ZDUSSCGKSA-N 1 3 385.339 3.716 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000477922427 872151753 /nfs/dbraw/zinc/15/17/53/872151753.db2.gz QOBCYDHRGOJTGU-HNNXBMFYSA-N 1 3 381.948 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477922427 872151761 /nfs/dbraw/zinc/15/17/61/872151761.db2.gz QOBCYDHRGOJTGU-HNNXBMFYSA-N 1 3 381.948 3.777 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H](CO)Cc3ccc(F)c(F)c3)CC2)C1 ZINC000477924605 872155179 /nfs/dbraw/zinc/15/51/79/872155179.db2.gz GAUDSYCKPPTCLD-POAQFYNOSA-N 1 3 380.523 3.749 20 0 GHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000540983967 872672947 /nfs/dbraw/zinc/67/29/47/872672947.db2.gz NKLUYBKMJQBGLD-AVRDEDQJSA-N 1 3 397.563 3.696 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000552478989 872696161 /nfs/dbraw/zinc/69/61/61/872696161.db2.gz DCWJLWJLPPDUNG-DEOSSOPVSA-N 1 3 393.575 3.941 20 0 GHADHO CC[NH+](CC)Cc1ccc(CN[C@@H](CN2CCOCC2)c2ccccc2C)cc1 ZINC000541548010 873811464 /nfs/dbraw/zinc/81/14/64/873811464.db2.gz AXXHXAVXXNUBGC-VWLOTQADSA-N 1 3 395.591 4.000 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541763497 874231134 /nfs/dbraw/zinc/23/11/34/874231134.db2.gz OHAXNCCLWSDOKG-JRGCBEDISA-N 1 3 399.966 3.627 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541763497 874231148 /nfs/dbraw/zinc/23/11/48/874231148.db2.gz OHAXNCCLWSDOKG-JRGCBEDISA-N 1 3 399.966 3.627 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541763496 874231665 /nfs/dbraw/zinc/23/16/65/874231665.db2.gz OHAXNCCLWSDOKG-DUXKGJEZSA-N 1 3 399.966 3.627 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541763496 874231672 /nfs/dbraw/zinc/23/16/72/874231672.db2.gz OHAXNCCLWSDOKG-DUXKGJEZSA-N 1 3 399.966 3.627 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C/C=C/c2ccc(F)cc2F)cc1 ZINC000541774825 874242142 /nfs/dbraw/zinc/24/21/42/874242142.db2.gz MCLUUQFOOZIYJY-ONEGZZNKSA-N 1 3 399.485 3.593 20 0 GHADHO CCOC(=O)c1cc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH]c1C ZINC000449107743 874482301 /nfs/dbraw/zinc/48/23/01/874482301.db2.gz REMNFSRPYPKEKL-INIZCTEOSA-N 1 3 375.538 3.563 20 0 GHADHO CCOC(=O)c1cc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[nH]c1C ZINC000449107743 874482306 /nfs/dbraw/zinc/48/23/06/874482306.db2.gz REMNFSRPYPKEKL-INIZCTEOSA-N 1 3 375.538 3.563 20 0 GHADHO CC1(C)CN(Cc2cccc(C(N)=O)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449415433 874809092 /nfs/dbraw/zinc/80/90/92/874809092.db2.gz OZLHVMZEQGLMDP-QHCPKHFHSA-N 1 3 391.559 3.908 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000237667781 882934113 /nfs/dbraw/zinc/93/41/13/882934113.db2.gz OCZOQGJFXPBLRC-OKILXGFUSA-N 1 3 376.875 3.920 20 0 GHADHO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000460490543 882934943 /nfs/dbraw/zinc/93/49/43/882934943.db2.gz MSTHOTADJSJGMU-IYWMVGAKSA-N 1 3 399.579 3.573 20 0 GHADHO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000491590553 875847829 /nfs/dbraw/zinc/84/78/29/875847829.db2.gz AXTDTVJRJGLCLG-IBGZPJMESA-N 1 3 392.547 3.894 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)CC1 ZINC000192789972 883018398 /nfs/dbraw/zinc/01/83/98/883018398.db2.gz MNVCPNMIJAYWOV-GOSISDBHSA-N 1 3 377.548 3.681 20 0 GHADHO Clc1cc(CN2CC[C@]3(CCOC3)C2)cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000450488573 876513967 /nfs/dbraw/zinc/51/39/67/876513967.db2.gz XYMCBTHJBPGKSU-VXKWHMMOSA-N 1 3 390.955 3.565 20 0 GHADHO Clc1cc(CN2CC[C@]3(CCOC3)C2)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000450488573 876513975 /nfs/dbraw/zinc/51/39/75/876513975.db2.gz XYMCBTHJBPGKSU-VXKWHMMOSA-N 1 3 390.955 3.565 20 0 GHADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)CN1CCCCC1 ZINC000850425924 876908517 /nfs/dbraw/zinc/90/85/17/876908517.db2.gz QYOUWSXXTKVUSI-APWZRJJASA-N 1 3 397.485 3.734 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836912 876956809 /nfs/dbraw/zinc/95/68/09/876956809.db2.gz QENPMKJOXDCVDA-IPJJNNNSSA-N 1 3 392.547 3.920 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836912 876956820 /nfs/dbraw/zinc/95/68/20/876956820.db2.gz QENPMKJOXDCVDA-IPJJNNNSSA-N 1 3 392.547 3.920 20 0 GHADHO C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850580464 877052447 /nfs/dbraw/zinc/05/24/47/877052447.db2.gz NENAKVHIGJAPMW-UVFQYZLESA-N 1 3 378.438 3.638 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000850580795 877054652 /nfs/dbraw/zinc/05/46/52/877054652.db2.gz REDPMTXEZQBCKF-QVKFZJNVSA-N 1 3 392.465 3.823 20 0 GHADHO CC(C)(C)CCN1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000195548886 883107297 /nfs/dbraw/zinc/10/72/97/883107297.db2.gz NUKPRKWNBFYRPJ-UHFFFAOYSA-N 1 3 386.584 3.546 20 0 GHADHO CC(C)[NH+]1CCC(N[C@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000788245606 877947301 /nfs/dbraw/zinc/94/73/01/877947301.db2.gz QPCHPJYXNNSQAX-WIYYLYMNSA-N 1 3 389.584 3.973 20 0 GHADHO CCOC(=O)c1cccc(CNCCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001183146456 912303284 /nfs/dbraw/zinc/30/32/84/912303284.db2.gz WKGRQORLJNNDPE-UHFFFAOYSA-N 1 3 381.520 3.650 20 0 GHADHO CC(C)[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000538098756 878834491 /nfs/dbraw/zinc/83/44/91/878834491.db2.gz KCIWJGHTKDVDNG-FUHWJXTLSA-N 1 3 385.474 3.580 20 0 GHADHO CC(C)[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000538098756 878834498 /nfs/dbraw/zinc/83/44/98/878834498.db2.gz KCIWJGHTKDVDNG-FUHWJXTLSA-N 1 3 385.474 3.580 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H](c3ccccc3)C3CC3)c2)C1 ZINC000246112321 879003272 /nfs/dbraw/zinc/00/32/72/879003272.db2.gz PUKYNQRLLQQTOC-DHIUTWEWSA-N 1 3 377.532 3.625 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H](c3ccccc3)C3CC3)c2)C1 ZINC000246112321 879003290 /nfs/dbraw/zinc/00/32/90/879003290.db2.gz PUKYNQRLLQQTOC-DHIUTWEWSA-N 1 3 377.532 3.625 20 0 GHADHO CC[NH+]1CCC(N(C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000531143141 879229463 /nfs/dbraw/zinc/22/94/63/879229463.db2.gz GUCFJUKDLXWBLU-JWQCQUIFSA-N 1 3 396.575 3.878 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000531316889 879596275 /nfs/dbraw/zinc/59/62/75/879596275.db2.gz GIPUOIXZNYZIMQ-VQTJNVASSA-N 1 3 388.943 3.545 20 0 GHADHO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168359438 879743942 /nfs/dbraw/zinc/74/39/42/879743942.db2.gz AIMYGYSQELWGQT-JOCHJYFZSA-N 1 3 399.579 3.812 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246860858 879831578 /nfs/dbraw/zinc/83/15/78/879831578.db2.gz BYYSQZMOLQYDNW-CVEARBPZSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246860858 879831590 /nfs/dbraw/zinc/83/15/90/879831590.db2.gz BYYSQZMOLQYDNW-CVEARBPZSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246860858 879831605 /nfs/dbraw/zinc/83/16/05/879831605.db2.gz BYYSQZMOLQYDNW-CVEARBPZSA-N 1 3 396.373 3.876 20 0 GHADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@@H](C)C1 ZINC000247127421 879925331 /nfs/dbraw/zinc/92/53/31/879925331.db2.gz RNCRJLKOECYHGG-CVDCTZTESA-N 1 3 379.548 3.745 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000247195940 879941089 /nfs/dbraw/zinc/94/10/89/879941089.db2.gz WAAXSZADPYYURI-RTBURBONSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000247195940 879941098 /nfs/dbraw/zinc/94/10/98/879941098.db2.gz WAAXSZADPYYURI-RTBURBONSA-N 1 3 390.535 3.745 20 0 GHADHO Cc1ccc2ncc(C[N@@H+](C)Cc3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3)n2c1 ZINC001183491110 912545236 /nfs/dbraw/zinc/54/52/36/912545236.db2.gz OHLHOASXYQUJDM-BGYRXZFFSA-N 1 3 392.547 3.884 20 0 GHADHO Cc1ccc2ncc(C[N@H+](C)Cc3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3)n2c1 ZINC001183491110 912545257 /nfs/dbraw/zinc/54/52/57/912545257.db2.gz OHLHOASXYQUJDM-BGYRXZFFSA-N 1 3 392.547 3.884 20 0 GHADHO COCCC[NH+]1CCC(N[C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453083388 880439585 /nfs/dbraw/zinc/43/95/85/880439585.db2.gz CVNKSYBTJSRBAJ-LEWJYISDSA-N 1 3 380.960 3.521 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCn2c(C)nc3ccccc32)CC1 ZINC000531783986 880475533 /nfs/dbraw/zinc/47/55/33/880475533.db2.gz BKVBGSCGNWLLCH-UHFFFAOYSA-N 1 3 391.563 3.667 20 0 GHADHO CN1CC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000185841121 880708416 /nfs/dbraw/zinc/70/84/16/880708416.db2.gz UBRVIJICKFDPRR-XZOQPEGZSA-N 1 3 391.559 3.850 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453295287 880743365 /nfs/dbraw/zinc/74/33/65/880743365.db2.gz YEGMFYWLATZUER-TZIWHRDSSA-N 1 3 385.596 3.696 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000531932979 880786214 /nfs/dbraw/zinc/78/62/14/880786214.db2.gz GACJPCSORQBHPU-MSOLQXFVSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[N@H+]1CCCC[C@@H]1C ZINC000531932979 880786228 /nfs/dbraw/zinc/78/62/28/880786228.db2.gz GACJPCSORQBHPU-MSOLQXFVSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN1CCCC[C@@H]1C ZINC000531932979 880786243 /nfs/dbraw/zinc/78/62/43/880786243.db2.gz GACJPCSORQBHPU-MSOLQXFVSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453403559 880869681 /nfs/dbraw/zinc/86/96/81/880869681.db2.gz GWKZCZICURBRFY-CDIGIKMISA-N 1 3 391.559 3.519 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCCN(C)C2CC2)cc1 ZINC000453390091 880886898 /nfs/dbraw/zinc/88/68/98/880886898.db2.gz CXARRVGNOBANIW-LEWJYISDSA-N 1 3 378.582 3.544 20 0 GHADHO COc1ccc(-c2ccncc2)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000187168731 881090062 /nfs/dbraw/zinc/09/00/62/881090062.db2.gz KTHSTKHGNUWDRA-KDURUIRLSA-N 1 3 383.536 3.736 20 0 GHADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181704681 883173988 /nfs/dbraw/zinc/17/39/88/883173988.db2.gz OTXMWDJGNDOWME-PZJWPPBQSA-N 1 3 377.617 3.858 20 0 GHADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181704681 883173995 /nfs/dbraw/zinc/17/39/95/883173995.db2.gz OTXMWDJGNDOWME-PZJWPPBQSA-N 1 3 377.617 3.858 20 0 GHADHO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000476949424 883428744 /nfs/dbraw/zinc/42/87/44/883428744.db2.gz FJVNYWGSZRTZMQ-CVDCTZTESA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCN1C ZINC000666172369 883782008 /nfs/dbraw/zinc/78/20/08/883782008.db2.gz NWUFPSFSMCOIBR-LZQXYRQZSA-N 1 3 381.539 3.866 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1NC(C)=O ZINC000192930157 884314880 /nfs/dbraw/zinc/31/48/80/884314880.db2.gz ZIRLWKHFSJIMKW-YLJYHZDGSA-N 1 3 381.520 3.826 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCCCCCNC(=O)OC(C)(C)C ZINC001168284965 884565353 /nfs/dbraw/zinc/56/53/53/884565353.db2.gz PTCHBAORTSULCG-HSALFYBXSA-N 1 3 397.604 3.645 20 0 GHADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(CN2CCCC2)c1 ZINC000498611246 885011340 /nfs/dbraw/zinc/01/13/40/885011340.db2.gz AXMNFRUWNQQWRC-HSZRJFAPSA-N 1 3 377.532 3.849 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000303130356 885462139 /nfs/dbraw/zinc/46/21/39/885462139.db2.gz KFPKJKJLCQBDQG-URVUXULASA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000303130356 885462145 /nfs/dbraw/zinc/46/21/45/885462145.db2.gz KFPKJKJLCQBDQG-URVUXULASA-N 1 3 386.584 3.552 20 0 GHADHO c1cc2cccc(-c3noc([C@@H]4C[N@@H+](Cc5ccccc5)CC45CNC5)n3)c2o1 ZINC001211917298 885575415 /nfs/dbraw/zinc/57/54/15/885575415.db2.gz XVQMRWVOSNKZAW-IBGZPJMESA-N 1 3 386.455 3.672 20 0 GHADHO c1cc2cccc(-c3noc([C@@H]4C[N@H+](Cc5ccccc5)CC45CNC5)n3)c2o1 ZINC001211917298 885575439 /nfs/dbraw/zinc/57/54/39/885575439.db2.gz XVQMRWVOSNKZAW-IBGZPJMESA-N 1 3 386.455 3.672 20 0 GHADHO FC(F)(F)Oc1cccc(N2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000532500479 885830590 /nfs/dbraw/zinc/83/05/90/885830590.db2.gz BIDALAWSHWUKQD-QGZVFWFLSA-N 1 3 383.458 3.628 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506342 885840540 /nfs/dbraw/zinc/84/05/40/885840540.db2.gz MBOQOMKICUXYNJ-RTBURBONSA-N 1 3 378.520 3.906 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506342 885840563 /nfs/dbraw/zinc/84/05/63/885840563.db2.gz MBOQOMKICUXYNJ-RTBURBONSA-N 1 3 378.520 3.906 20 0 GHADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000556868717 886417136 /nfs/dbraw/zinc/41/71/36/886417136.db2.gz BJDNKTXMHPKLON-REHUZNOOSA-N 1 3 397.563 3.853 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000237123183 886913573 /nfs/dbraw/zinc/91/35/73/886913573.db2.gz QJGIBBVYFFNESW-CVEARBPZSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000237123183 886913581 /nfs/dbraw/zinc/91/35/81/886913581.db2.gz QJGIBBVYFFNESW-CVEARBPZSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000237123183 886913590 /nfs/dbraw/zinc/91/35/90/886913590.db2.gz QJGIBBVYFFNESW-CVEARBPZSA-N 1 3 381.948 3.920 20 0 GHADHO C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915493044 887097522 /nfs/dbraw/zinc/09/75/22/887097522.db2.gz NFOBLRSLVAVUBU-AUSIDOKSSA-N 1 3 398.595 3.523 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000131056747 887502035 /nfs/dbraw/zinc/50/20/35/887502035.db2.gz XGXZSYMNHXMVCT-UHFFFAOYSA-N 1 3 398.551 3.537 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000131056747 887502053 /nfs/dbraw/zinc/50/20/53/887502053.db2.gz XGXZSYMNHXMVCT-UHFFFAOYSA-N 1 3 398.551 3.537 20 0 GHADHO c1nnc([C@H](NCCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)[nH]1 ZINC000866469089 888896142 /nfs/dbraw/zinc/89/61/42/888896142.db2.gz FWWWTISFCRQZNT-JOCHJYFZSA-N 1 3 375.520 3.786 20 0 GHADHO Cc1ccccc1[C@@H](OC[C@H](O)CNC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000644513461 913325467 /nfs/dbraw/zinc/32/54/67/913325467.db2.gz JSXBGOODSDPOMM-NOZRDPDXSA-N 1 3 396.575 3.924 20 0 GHADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000533124425 889860383 /nfs/dbraw/zinc/86/03/83/889860383.db2.gz HZAMFPULFCMMMJ-IBGZPJMESA-N 1 3 383.561 3.515 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635840 913416844 /nfs/dbraw/zinc/41/68/44/913416844.db2.gz DBOFQYFYBWMBJM-QPPBQGQZSA-N 1 3 390.527 3.691 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635840 913416849 /nfs/dbraw/zinc/41/68/49/913416849.db2.gz DBOFQYFYBWMBJM-QPPBQGQZSA-N 1 3 390.527 3.691 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000520798516 890585327 /nfs/dbraw/zinc/58/53/27/890585327.db2.gz WDLLOAATKNZPBV-AWEZNQCLSA-N 1 3 375.340 3.586 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000126705851 890656954 /nfs/dbraw/zinc/65/69/54/890656954.db2.gz BIXCNIHCHOYUBB-GJZGRUSLSA-N 1 3 386.353 3.512 20 0 GHADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126735497 890670419 /nfs/dbraw/zinc/67/04/19/890670419.db2.gz LJOCZIUIYMKGST-XMMPIXPASA-N 1 3 379.548 3.610 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000533547966 890821345 /nfs/dbraw/zinc/82/13/45/890821345.db2.gz JPOQUTKVPTVHKR-AABGKKOBSA-N 1 3 397.563 3.694 20 0 GHADHO C[C@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000287717463 913503997 /nfs/dbraw/zinc/50/39/97/913503997.db2.gz YKHCNYAFNXEVGS-WMZHIEFXSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000287717466 913504202 /nfs/dbraw/zinc/50/42/02/913504202.db2.gz YKHCNYAFNXEVGS-XXBNENTESA-N 1 3 398.595 3.728 20 0 GHADHO C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000812841543 891028348 /nfs/dbraw/zinc/02/83/48/891028348.db2.gz ALAXXYHRBQWLEX-UXHICEINSA-N 1 3 384.612 3.964 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000497399003 891495368 /nfs/dbraw/zinc/49/53/68/891495368.db2.gz KZAYHBCXXAMZHA-XZOQPEGZSA-N 1 3 379.548 3.745 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000497399003 891495374 /nfs/dbraw/zinc/49/53/74/891495374.db2.gz KZAYHBCXXAMZHA-XZOQPEGZSA-N 1 3 379.548 3.745 20 0 GHADHO FC(F)(F)CN1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000813790580 891978818 /nfs/dbraw/zinc/97/88/18/891978818.db2.gz RNIXEWSSRVVWOK-XUBOLADHSA-N 1 3 381.486 3.798 20 0 GHADHO FC(F)(F)CN1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000813790580 891978825 /nfs/dbraw/zinc/97/88/25/891978825.db2.gz RNIXEWSSRVVWOK-XUBOLADHSA-N 1 3 381.486 3.798 20 0 GHADHO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508695118 892654006 /nfs/dbraw/zinc/65/40/06/892654006.db2.gz HMXLEAKZKBIXGI-FUHWJXTLSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508695118 892654016 /nfs/dbraw/zinc/65/40/16/892654016.db2.gz HMXLEAKZKBIXGI-FUHWJXTLSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508695118 892654029 /nfs/dbraw/zinc/65/40/29/892654029.db2.gz HMXLEAKZKBIXGI-FUHWJXTLSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508700460 892669237 /nfs/dbraw/zinc/66/92/37/892669237.db2.gz UJGQIARTOWWKDN-WWPVKYPJSA-N 1 3 379.548 3.706 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645154448 913712948 /nfs/dbraw/zinc/71/29/48/913712948.db2.gz VWQKGWLHYJLVGX-DENIHFKCSA-N 1 3 386.584 3.544 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645154448 913712963 /nfs/dbraw/zinc/71/29/63/913712963.db2.gz VWQKGWLHYJLVGX-DENIHFKCSA-N 1 3 386.584 3.544 20 0 GHADHO C[NH+](C)CC1CCN(C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815018571 893342687 /nfs/dbraw/zinc/34/26/87/893342687.db2.gz UFGQFQWMANLNED-KRWDZBQOSA-N 1 3 389.765 3.584 20 0 GHADHO COc1c(Br)cc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000666852223 893362452 /nfs/dbraw/zinc/36/24/52/893362452.db2.gz RJNORRAJPNRABX-MNOVXSKESA-N 1 3 392.135 3.580 20 0 GHADHO CCOP(=O)(CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)OCC ZINC000877489007 893642012 /nfs/dbraw/zinc/64/20/12/893642012.db2.gz KOJUJFQCZVUFGZ-BGYRXZFFSA-N 1 3 380.469 3.706 20 0 GHADHO CCOP(=O)(CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)OCC ZINC000877489007 893642017 /nfs/dbraw/zinc/64/20/17/893642017.db2.gz KOJUJFQCZVUFGZ-BGYRXZFFSA-N 1 3 380.469 3.706 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccccc3)CC(C)C)CC2)CC1 ZINC000563373596 893677086 /nfs/dbraw/zinc/67/70/86/893677086.db2.gz JCOUWHNKMMVBDW-UHFFFAOYSA-N 1 3 385.596 3.868 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)Cc3cc(C)cc(C)c3)CC2)CC1 ZINC000563388354 893687392 /nfs/dbraw/zinc/68/73/92/893687392.db2.gz ZCKIXSQVZAYCHD-FQEVSTJZSA-N 1 3 385.596 3.547 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(C[C@@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000459546665 893775629 /nfs/dbraw/zinc/77/56/29/893775629.db2.gz NPCZMVZQVSWDCR-GVAUOCQISA-N 1 3 375.560 3.682 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C[C@@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000459546665 893775648 /nfs/dbraw/zinc/77/56/48/893775648.db2.gz NPCZMVZQVSWDCR-GVAUOCQISA-N 1 3 375.560 3.682 20 0 GHADHO CCC1(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000537093610 894331592 /nfs/dbraw/zinc/33/15/92/894331592.db2.gz VCGUIIRSJBEXRY-NHCUHLMSSA-N 1 3 392.609 3.624 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3ccccc3=O)cc2)C[C@H]1c1ccccc1 ZINC000645395108 913873259 /nfs/dbraw/zinc/87/32/59/913873259.db2.gz CRHCMKRJEIMBBO-ZEQRLZLVSA-N 1 3 387.527 3.822 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3ccccc3=O)cc2)C[C@H]1c1ccccc1 ZINC000645395108 913873276 /nfs/dbraw/zinc/87/32/76/913873276.db2.gz CRHCMKRJEIMBBO-ZEQRLZLVSA-N 1 3 387.527 3.822 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)ccc3OC(C)C)CC2)CC1 ZINC000565178800 895442481 /nfs/dbraw/zinc/44/24/81/895442481.db2.gz CKBBEYIVAAILRY-UHFFFAOYSA-N 1 3 391.531 3.748 20 0 GHADHO [NH3+]CCc1ccc(CN[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)cc1 ZINC000817949264 895975493 /nfs/dbraw/zinc/97/54/93/895975493.db2.gz PKLFASRTMOUAGQ-PMACEKPBSA-N 1 3 389.337 3.960 20 0 GHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000565940133 895995867 /nfs/dbraw/zinc/99/58/67/895995867.db2.gz MIRVHMSZEBACAJ-YADHBBJMSA-N 1 3 396.579 3.888 20 0 GHADHO COc1ccc(-c2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1OC ZINC000566010411 896045430 /nfs/dbraw/zinc/04/54/30/896045430.db2.gz SLUUBRYWUFAXPB-IRXDYDNUSA-N 1 3 387.549 3.649 20 0 GHADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000819015197 896349649 /nfs/dbraw/zinc/34/96/49/896349649.db2.gz FGLHWHFTKDESOO-NQIIRXRSSA-N 1 3 392.465 3.893 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H]3CCCCN3C(C)C)C2)s1 ZINC000568045585 897555187 /nfs/dbraw/zinc/55/51/87/897555187.db2.gz FTJUPTLWQPLVSW-UYAOXDASSA-N 1 3 377.598 3.600 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H]3CCCCN3C(C)C)C2)s1 ZINC000568045585 897555198 /nfs/dbraw/zinc/55/51/98/897555198.db2.gz FTJUPTLWQPLVSW-UYAOXDASSA-N 1 3 377.598 3.600 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3c4ccccc4CC[C@H]3C)CC2)CC1 ZINC000568202222 897671239 /nfs/dbraw/zinc/67/12/39/897671239.db2.gz HAWRBOOQTRJBKI-JPYJTQIMSA-N 1 3 383.580 3.623 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001136410432 897711488 /nfs/dbraw/zinc/71/14/88/897711488.db2.gz YNHMFUDCZIQMLY-DEOSSOPVSA-N 1 3 399.623 3.912 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001136410432 897711493 /nfs/dbraw/zinc/71/14/93/897711493.db2.gz YNHMFUDCZIQMLY-DEOSSOPVSA-N 1 3 399.623 3.912 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)N1CCCCCC1 ZINC000132577653 897834154 /nfs/dbraw/zinc/83/41/54/897834154.db2.gz BCFQJLHEYXMANY-LJQANCHMSA-N 1 3 386.584 3.668 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CC(F)F)c3ccccc3)CC2)CC1 ZINC000568778184 898095434 /nfs/dbraw/zinc/09/54/34/898095434.db2.gz CPXLYWJLQNVDRG-FQEVSTJZSA-N 1 3 393.522 3.695 20 0 GHADHO COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCc1cccnc1 ZINC000289537958 914230047 /nfs/dbraw/zinc/23/00/47/914230047.db2.gz HYBAIRQXMGUXRY-WCRBZPEASA-N 1 3 381.520 3.726 20 0 GHADHO COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCc1cccnc1 ZINC000289537958 914230055 /nfs/dbraw/zinc/23/00/55/914230055.db2.gz HYBAIRQXMGUXRY-WCRBZPEASA-N 1 3 381.520 3.726 20 0 GHADHO CCCn1ccc2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc21 ZINC000120162089 899761129 /nfs/dbraw/zinc/76/11/29/899761129.db2.gz QVNQEYKXOXCRNI-UHFFFAOYSA-N 1 3 397.567 3.731 20 0 GHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c2ccccc21 ZINC000572832614 900284545 /nfs/dbraw/zinc/28/45/45/900284545.db2.gz NZRSNJUTTOCKEH-ZNOIYHFQSA-N 1 3 377.410 3.898 20 0 GHADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)cc2)CC1 ZINC000844336533 900710444 /nfs/dbraw/zinc/71/04/44/900710444.db2.gz XTMHSIBCMXDXPM-ZWKOTPCHSA-N 1 3 399.457 3.515 20 0 GHADHO C[N@H+]1CCCN(c2ccc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)cc2)CC1 ZINC000844336533 900710454 /nfs/dbraw/zinc/71/04/54/900710454.db2.gz XTMHSIBCMXDXPM-ZWKOTPCHSA-N 1 3 399.457 3.515 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844624127 901086682 /nfs/dbraw/zinc/08/66/82/901086682.db2.gz CPSARZIFHXEOLP-ITQYTPKQSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844624127 901086688 /nfs/dbraw/zinc/08/66/88/901086688.db2.gz CPSARZIFHXEOLP-ITQYTPKQSA-N 1 3 396.453 3.877 20 0 GHADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)ccc1SC ZINC000090525798 901433128 /nfs/dbraw/zinc/43/31/28/901433128.db2.gz USDPIIVTGVKICV-SNRMKQJTSA-N 1 3 378.582 3.836 20 0 GHADHO Oc1cc(CN2CCC(CCC[NH+]3CCOCC3)CC2)cc(C(F)(F)F)c1 ZINC000576437780 902021998 /nfs/dbraw/zinc/02/19/98/902021998.db2.gz FDJHAEAJCUZADI-UHFFFAOYSA-N 1 3 386.458 3.735 20 0 GHADHO FC(F)(F)Oc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000576822729 902283444 /nfs/dbraw/zinc/28/34/44/902283444.db2.gz JLNJJVXGYLLQQM-BETUJISGSA-N 1 3 393.247 3.779 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccccc4)C[C@H]3C)CC2)CC1 ZINC000577229980 902602104 /nfs/dbraw/zinc/60/21/04/902602104.db2.gz VADYRZYOFVCVAV-NFBKMPQASA-N 1 3 397.607 3.977 20 0 GHADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000577839484 903257903 /nfs/dbraw/zinc/25/79/03/903257903.db2.gz NBIYCYQHJMRIFL-KSSFIOAISA-N 1 3 394.947 3.547 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000779033442 903268533 /nfs/dbraw/zinc/26/85/33/903268533.db2.gz MFVZGWATJGFSCD-IYWMVGAKSA-N 1 3 397.604 3.549 20 0 GHADHO CCCN1C[C@H]2C[NH+](C3CCN(c4ccc(Br)cc4)CC3)C[C@@H]2C1 ZINC001171999753 905211627 /nfs/dbraw/zinc/21/16/27/905211627.db2.gz YGJVNDNIQJKLEM-IRXDYDNUSA-N 1 3 392.385 3.692 20 0 GHADHO CC1(C)C[C@H](N[C@H]2CCN(Cc3ccncc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171980389 905231202 /nfs/dbraw/zinc/23/12/02/905231202.db2.gz QFZQJHUTHXMFSH-PKTZIBPZSA-N 1 3 378.564 3.689 20 0 GHADHO CC1(C)C[C@H](N[C@H]2CCN(Cc3ccncc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171980389 905231216 /nfs/dbraw/zinc/23/12/16/905231216.db2.gz QFZQJHUTHXMFSH-PKTZIBPZSA-N 1 3 378.564 3.689 20 0 GHADHO O=C1OCCCN1C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172089040 905308074 /nfs/dbraw/zinc/30/80/74/905308074.db2.gz PJFYENYWPCZFOV-NUNAXRQHSA-N 1 3 397.563 3.879 20 0 GHADHO O=C1OCCCN1C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172089040 905308091 /nfs/dbraw/zinc/30/80/91/905308091.db2.gz PJFYENYWPCZFOV-NUNAXRQHSA-N 1 3 397.563 3.879 20 0 GHADHO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172061368 905322717 /nfs/dbraw/zinc/32/27/17/905322717.db2.gz GQZLMRVRPKIVIB-ZKTXZKFHSA-N 1 3 385.552 3.781 20 0 GHADHO COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Br)cc1 ZINC001172111835 905359189 /nfs/dbraw/zinc/35/91/89/905359189.db2.gz WTYPGBUEOCFZCV-FJIDUMEYSA-N 1 3 395.341 3.658 20 0 GHADHO Cc1cccc(N2CCC[C@@]3(C2)C[N@H+]([C@@H]2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001172116432 905368499 /nfs/dbraw/zinc/36/84/99/905368499.db2.gz FEPIWIYCHUTSSA-CBJLPSGESA-N 1 3 383.580 3.682 20 0 GHADHO Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+]([C@@H]2C[C@H]4CCC[C@@H](C2)N4C)CCO3)c1 ZINC001172116432 905368511 /nfs/dbraw/zinc/36/85/11/905368511.db2.gz FEPIWIYCHUTSSA-CBJLPSGESA-N 1 3 383.580 3.682 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN)CCN1C(=O)OC(C)(C)C ZINC001172603046 905661895 /nfs/dbraw/zinc/66/18/95/905661895.db2.gz IRAKWLZIQJPAAD-YJLNNSPDSA-N 1 3 379.520 3.759 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)CCN1C(=O)OC(C)(C)C ZINC001172647311 905711269 /nfs/dbraw/zinc/71/12/69/905711269.db2.gz YUCXBYLZVMVDOV-RBUKOAKNSA-N 1 3 379.589 3.972 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)CCN1C(=O)OC(C)(C)C ZINC001172647312 905711413 /nfs/dbraw/zinc/71/14/13/905711413.db2.gz YUCXBYLZVMVDOV-RTBURBONSA-N 1 3 379.589 3.972 20 0 GHADHO COC(=O)c1cccc(C[NH2+]C2CCN([C@H]3CCc4ccc(C)cc4C3)CC2)c1 ZINC001172838478 905888085 /nfs/dbraw/zinc/88/80/85/905888085.db2.gz LKLXXLYIXTZZGP-DEOSSOPVSA-N 1 3 392.543 3.893 20 0 GHADHO C[C@@H](CSc1ccc(Cl)cc1)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172878745 905963002 /nfs/dbraw/zinc/96/30/02/905963002.db2.gz KBWZTYXZXXHSFE-XJKSGUPXSA-N 1 3 387.977 4.000 20 0 GHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172972711 906037746 /nfs/dbraw/zinc/03/77/46/906037746.db2.gz YLKBVQMKYZHDKL-SESVDKBCSA-N 1 3 387.568 3.696 20 0 GHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172972711 906037761 /nfs/dbraw/zinc/03/77/61/906037761.db2.gz YLKBVQMKYZHDKL-SESVDKBCSA-N 1 3 387.568 3.696 20 0 GHADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001173091701 906150275 /nfs/dbraw/zinc/15/02/75/906150275.db2.gz UQIGKJDQDNLRCG-INIZCTEOSA-N 1 3 393.453 3.947 20 0 GHADHO CCCC[C@H](CC(C)C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001173245464 906334310 /nfs/dbraw/zinc/33/43/10/906334310.db2.gz GIZNDJMMEDWLGR-YADHBBJMSA-N 1 3 387.612 3.996 20 0 GHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC000180999329 906893236 /nfs/dbraw/zinc/89/32/36/906893236.db2.gz IDZHCKXMWYKSLG-HNNXBMFYSA-N 1 3 393.453 3.848 20 0 GHADHO COc1cccc2c1OCCC[C@@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000631582967 907766465 /nfs/dbraw/zinc/76/64/65/907766465.db2.gz UOJKZAGPRDMSAN-QFIPXVFZSA-N 1 3 396.531 3.655 20 0 GHADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC001177692824 908713672 /nfs/dbraw/zinc/71/36/72/908713672.db2.gz FNIUQPZWNOVUKD-UHFFFAOYSA-N 1 3 395.938 3.923 20 0 GHADHO Cc1ccc(C(C)(C)NCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cn1 ZINC001178458301 909060910 /nfs/dbraw/zinc/06/09/10/909060910.db2.gz ZKZKJJSQRHHASJ-UHFFFAOYSA-N 1 3 377.435 3.798 20 0 GHADHO Fc1ccc([C@@H]2OCC[C@H]2N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000635004188 909097471 /nfs/dbraw/zinc/09/74/71/909097471.db2.gz NJXNOAULYNZYFA-KRXUUXHPSA-N 1 3 386.442 3.640 20 0 GHADHO CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000268766295 910005632 /nfs/dbraw/zinc/00/56/32/910005632.db2.gz QJBALUCSEWDXIW-IBGZPJMESA-N 1 3 397.563 3.960 20 0 GHADHO Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639079725 910308367 /nfs/dbraw/zinc/30/83/67/910308367.db2.gz MIBPKJPUJYWARZ-UVUJQTEASA-N 1 3 380.536 3.598 20 0 GHADHO Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639079725 910308379 /nfs/dbraw/zinc/30/83/79/910308379.db2.gz MIBPKJPUJYWARZ-UVUJQTEASA-N 1 3 380.536 3.598 20 0 GHADHO c1ccc(C(CN2CC[C@]3(C2)CCCOC3)C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000639633398 910576469 /nfs/dbraw/zinc/57/64/69/910576469.db2.gz YRSGVVOWGJAAOC-DQEYMECFSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc(C(CN2CC[C@]3(C2)CCCOC3)C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000639633398 910576483 /nfs/dbraw/zinc/57/64/83/910576483.db2.gz YRSGVVOWGJAAOC-DQEYMECFSA-N 1 3 398.591 3.775 20 0 GHADHO O=C(CCN1CCCN(c2cc[nH+]cc2)CC1)Nc1c(Cl)cccc1Cl ZINC000639701778 910619366 /nfs/dbraw/zinc/61/93/66/910619366.db2.gz ABQCLIPUENWHBN-UHFFFAOYSA-N 1 3 393.318 3.929 20 0 GHADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)Nc1c(Cl)cccc1Cl ZINC000639701778 910619369 /nfs/dbraw/zinc/61/93/69/910619369.db2.gz ABQCLIPUENWHBN-UHFFFAOYSA-N 1 3 393.318 3.929 20 0 GHADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)Nc1c(Cl)cccc1Cl ZINC000639701778 910619374 /nfs/dbraw/zinc/61/93/74/910619374.db2.gz ABQCLIPUENWHBN-UHFFFAOYSA-N 1 3 393.318 3.929 20 0 GHADHO Cc1oc(C(C)(C)C)cc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001181564363 910859039 /nfs/dbraw/zinc/85/90/39/910859039.db2.gz LULLSOUZKJOFMM-UHFFFAOYSA-N 1 3 389.584 3.700 20 0 GHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ncc1F ZINC000273850608 911056979 /nfs/dbraw/zinc/05/69/79/911056979.db2.gz JUHWIYTTYKVJAW-HZSPNIEDSA-N 1 3 388.325 3.523 20 0 GHADHO C[C@@H]1[C@@H](CC(=O)N[C@H]2CCCN(C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949389 914913321 /nfs/dbraw/zinc/91/33/21/914913321.db2.gz SSLHJWYRFZVDDT-OIBXWCBGSA-N 1 3 391.559 3.697 20 0 GHADHO C[C@@H]1[C@@H](CC(=O)N[C@H]2CCCN(C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949389 914913330 /nfs/dbraw/zinc/91/33/30/914913330.db2.gz SSLHJWYRFZVDDT-OIBXWCBGSA-N 1 3 391.559 3.697 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000647343733 915164333 /nfs/dbraw/zinc/16/43/33/915164333.db2.gz AYBUEZAUDVEHIM-AHRSYUTCSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000647343733 915164348 /nfs/dbraw/zinc/16/43/48/915164348.db2.gz AYBUEZAUDVEHIM-AHRSYUTCSA-N 1 3 377.532 3.912 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1NC(C)=O ZINC000647344668 915164825 /nfs/dbraw/zinc/16/48/25/915164825.db2.gz WONJPHRZNSCYRS-DQLDELGASA-N 1 3 381.520 3.650 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)N(C)C)cc1 ZINC000647578138 915330816 /nfs/dbraw/zinc/33/08/16/915330816.db2.gz XVUKDKMBWSGMIT-HXUWFJFHSA-N 1 3 377.598 3.782 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)N(C)C)cc1 ZINC000647578138 915330834 /nfs/dbraw/zinc/33/08/34/915330834.db2.gz XVUKDKMBWSGMIT-HXUWFJFHSA-N 1 3 377.598 3.782 20 0 GHADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977807 915460060 /nfs/dbraw/zinc/46/00/60/915460060.db2.gz HWJOXEKZFQDJKL-MISYRCLQSA-N 1 3 383.536 3.664 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000292744395 915823146 /nfs/dbraw/zinc/82/31/46/915823146.db2.gz QUZSAFRHKXQULK-GOSISDBHSA-N 1 3 397.519 3.825 20 0 GHADHO Cn1cc(-c2cc(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)on2)cn1 ZINC000293220315 916066474 /nfs/dbraw/zinc/06/64/74/916066474.db2.gz GSRNWTRJANHHMF-UHFFFAOYSA-N 1 3 391.519 3.563 20 0 GHADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000649277972 916091524 /nfs/dbraw/zinc/09/15/24/916091524.db2.gz AGKBFMGZEXDCAI-FQEVSTJZSA-N 1 3 385.577 3.713 20 0 GHADHO CCOC[C@H]1CCN(Cc2cc(C[N@@H+]3CC[C@H](COCC)C3)ccc2F)C1 ZINC000294865693 917020427 /nfs/dbraw/zinc/02/04/27/917020427.db2.gz DIUIIJRXKMRQIH-PMACEKPBSA-N 1 3 378.532 3.543 20 0 GHADHO CCOC[C@H]1CCN(Cc2cc(C[N@H+]3CC[C@H](COCC)C3)ccc2F)C1 ZINC000294865693 917020438 /nfs/dbraw/zinc/02/04/38/917020438.db2.gz DIUIIJRXKMRQIH-PMACEKPBSA-N 1 3 378.532 3.543 20 0 GHADHO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)C1 ZINC000775379786 917308425 /nfs/dbraw/zinc/30/84/25/917308425.db2.gz BNLCRRGDKFAZRZ-XLIONFOSSA-N 1 3 389.540 3.563 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCCNc2ncccn2)cc1CN1CCCCC1 ZINC000775396924 917394767 /nfs/dbraw/zinc/39/47/67/917394767.db2.gz QSADJIFKIUESLZ-GOSISDBHSA-N 1 3 383.540 3.624 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)ccc1OC ZINC000775415697 917595321 /nfs/dbraw/zinc/59/53/21/917595321.db2.gz UKRBKNJRQZKBHV-NQIIRXRSSA-N 1 3 390.568 3.916 20 0 GHADHO COCc1cc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000902504626 922244673 /nfs/dbraw/zinc/24/46/73/922244673.db2.gz PDOSVAKWLXPOOT-ITSWEJNFSA-N 1 3 382.504 3.748 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000368640220 922787756 /nfs/dbraw/zinc/78/77/56/922787756.db2.gz BFRLJWBUBWZMQC-UHFFFAOYSA-N 1 3 391.559 3.877 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000368640220 922787767 /nfs/dbraw/zinc/78/77/67/922787767.db2.gz BFRLJWBUBWZMQC-UHFFFAOYSA-N 1 3 391.559 3.877 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903125526 922793136 /nfs/dbraw/zinc/79/31/36/922793136.db2.gz MZYICGVZPCLVFX-DNVJHFABSA-N 1 3 390.543 3.651 20 0 GHADHO CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)N3C[C@H]2CCCC[NH2+]C2)n1 ZINC000903788166 923294097 /nfs/dbraw/zinc/29/40/97/923294097.db2.gz DFEUNVCGDGKDAJ-PVNZRKONSA-N 1 3 391.625 3.731 20 0 GHADHO NC(=O)c1ccc(CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)cc1 ZINC000411149476 926129367 /nfs/dbraw/zinc/12/93/67/926129367.db2.gz VWYRNIVWNHFMRU-UHFFFAOYSA-N 1 3 377.532 3.936 20 0 GHADHO CC(C)[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000411453053 926410454 /nfs/dbraw/zinc/41/04/54/926410454.db2.gz JNSHMLPGJPYSLZ-FQEVSTJZSA-N 1 3 399.501 3.981 20 0 GHADHO CN(C)c1ccc(NC(=O)CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000749571572 927194072 /nfs/dbraw/zinc/19/40/72/927194072.db2.gz KNZYCAROXRPVKQ-OAQYLSRUSA-N 1 3 394.563 3.535 20 0 GHADHO CN(C)c1ccc(NC(=O)CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000749571572 927194081 /nfs/dbraw/zinc/19/40/81/927194081.db2.gz KNZYCAROXRPVKQ-OAQYLSRUSA-N 1 3 394.563 3.535 20 0 GHADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000412196829 927197346 /nfs/dbraw/zinc/19/73/46/927197346.db2.gz CHDJJXWLIJZKJM-FYYLOGMGSA-N 1 3 381.564 3.761 20 0 GHADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000412196829 927197357 /nfs/dbraw/zinc/19/73/57/927197357.db2.gz CHDJJXWLIJZKJM-FYYLOGMGSA-N 1 3 381.564 3.761 20 0 GHADHO CN1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000412226528 927228572 /nfs/dbraw/zinc/22/85/72/927228572.db2.gz YBXONSVCCHRHMA-DHIUTWEWSA-N 1 3 377.532 3.500 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1C ZINC000753662226 929468465 /nfs/dbraw/zinc/46/84/65/929468465.db2.gz QWHMOXQDDRHRQT-WPYKKVEZSA-N 1 3 382.548 3.846 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C ZINC000753662226 929468472 /nfs/dbraw/zinc/46/84/72/929468472.db2.gz QWHMOXQDDRHRQT-WPYKKVEZSA-N 1 3 382.548 3.846 20 0 GHADHO CCN(Cc1ccccc1)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469758458 930141294 /nfs/dbraw/zinc/14/12/94/930141294.db2.gz RFQXQAJTLPAJCA-SFTDATJTSA-N 1 3 393.575 3.781 20 0 GHADHO C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000469761508 930143459 /nfs/dbraw/zinc/14/34/59/930143459.db2.gz BELQTWOGGOUUOU-NJYVYQBISA-N 1 3 393.575 3.952 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000780880010 930625256 /nfs/dbraw/zinc/62/52/56/930625256.db2.gz WWLCNURRSWKZFB-UGKGYDQZSA-N 1 3 377.532 3.814 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)N2CCCC2)cc1 ZINC000470733012 930867066 /nfs/dbraw/zinc/86/70/66/930867066.db2.gz MNQJBJDNVPYLAC-GGAORHGYSA-N 1 3 398.595 3.505 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)N2CCCC2)cc1 ZINC000470733012 930867072 /nfs/dbraw/zinc/86/70/72/930867072.db2.gz MNQJBJDNVPYLAC-GGAORHGYSA-N 1 3 398.595 3.505 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000470769895 930896747 /nfs/dbraw/zinc/89/67/47/930896747.db2.gz VDSRBAGEMRUDMG-DFIYOIEZSA-N 1 3 396.575 3.564 20 0 GHADHO CN(C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470896291 931008213 /nfs/dbraw/zinc/00/82/13/931008213.db2.gz FCPNWSDJHRGKBQ-DHIUTWEWSA-N 1 3 398.595 3.557 20 0 GHADHO CN(C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470896291 931008216 /nfs/dbraw/zinc/00/82/16/931008216.db2.gz FCPNWSDJHRGKBQ-DHIUTWEWSA-N 1 3 398.595 3.557 20 0 GHADHO c1csc(-c2noc(CCC[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)n2)c1 ZINC000470995377 931083900 /nfs/dbraw/zinc/08/39/00/931083900.db2.gz IAABZWXOWMTBMW-KDURUIRLSA-N 1 3 394.544 3.795 20 0 GHADHO c1csc(-c2noc(CCC[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)n2)c1 ZINC000470995377 931083916 /nfs/dbraw/zinc/08/39/16/931083916.db2.gz IAABZWXOWMTBMW-KDURUIRLSA-N 1 3 394.544 3.795 20 0 GHADHO COc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1OC ZINC000557499961 931473708 /nfs/dbraw/zinc/47/37/08/931473708.db2.gz OCKQAGMSGPNIRC-UHFFFAOYSA-N 1 3 384.520 3.775 20 0 GHADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OCc1ccccc1 ZINC000925850930 931922648 /nfs/dbraw/zinc/92/26/48/931922648.db2.gz ADOKHYFJCGFIEU-AZUAARDMSA-N 1 3 394.515 3.602 20 0 GHADHO CC[NH+](CC)CC1CCN([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559049565 932396178 /nfs/dbraw/zinc/39/61/78/932396178.db2.gz RDWNUDAUCGQESP-LAUBAEHRSA-N 1 3 375.532 3.541 20 0 GHADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177300 932899284 /nfs/dbraw/zinc/89/92/84/932899284.db2.gz PYACEMGWDNKDJO-UHFFFAOYSA-N 1 3 398.378 3.760 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3cccc(OC)c3)CC2)CC1 ZINC000561103771 933868028 /nfs/dbraw/zinc/86/80/28/933868028.db2.gz OROXMVMUKXPKRB-QHCPKHFHSA-N 1 3 399.579 3.555 20 0 GHADHO Cc1ccc([C@@H](OC[C@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c2ccccc2)cc1 ZINC001120520223 934469234 /nfs/dbraw/zinc/46/92/34/934469234.db2.gz SYJJMZDXTJRPSS-RCTAOEEJSA-N 1 3 394.559 3.678 20 0 GHADHO Cc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc(C)c1F ZINC001211910531 1014572221 /nfs/dbraw/zinc/57/22/21/1014572221.db2.gz FRSOWEPYIFANLQ-LJQANCHMSA-N 1 3 392.478 3.682 20 0 GHADHO Cc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc(C)c1F ZINC001211910531 1014572230 /nfs/dbraw/zinc/57/22/30/1014572230.db2.gz FRSOWEPYIFANLQ-LJQANCHMSA-N 1 3 392.478 3.682 20 0 GHADHO Cc1cc(Br)cn2cc(CC[NH2+]C3CCN(C(C)(C)C)CC3)nc12 ZINC000544898801 1015173251 /nfs/dbraw/zinc/17/32/51/1015173251.db2.gz WMCAYIJLDDITOI-UHFFFAOYSA-N 1 3 393.373 3.800 20 0 GHADHO Cc1cc(Br)cn2cc(CCNC3CC[NH+](C(C)(C)C)CC3)nc12 ZINC000544898801 1015173265 /nfs/dbraw/zinc/17/32/65/1015173265.db2.gz WMCAYIJLDDITOI-UHFFFAOYSA-N 1 3 393.373 3.800 20 0 GHADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@]12CCCO2 ZINC000546163847 1016570441 /nfs/dbraw/zinc/57/04/41/1016570441.db2.gz SGHGBGIUQRHOQV-GUFRKYNFSA-N 1 3 384.564 3.603 20 0 GHADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@]12CCCO2 ZINC000546163847 1016570453 /nfs/dbraw/zinc/57/04/53/1016570453.db2.gz SGHGBGIUQRHOQV-GUFRKYNFSA-N 1 3 384.564 3.603 20 0 GHADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@]12CCCO2 ZINC000546163847 1016570465 /nfs/dbraw/zinc/57/04/65/1016570465.db2.gz SGHGBGIUQRHOQV-GUFRKYNFSA-N 1 3 384.564 3.603 20 0 GHADHO Cc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1I ZINC000546689580 1016715811 /nfs/dbraw/zinc/71/58/11/1016715811.db2.gz OQVNFCRLUSIGHU-UHFFFAOYSA-N 1 3 384.305 3.564 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000470143128 1016735381 /nfs/dbraw/zinc/73/53/81/1016735381.db2.gz JGGQSRVWYICISZ-ZFJSRUIDSA-N 1 3 380.532 3.760 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000470143128 1016735396 /nfs/dbraw/zinc/73/53/96/1016735396.db2.gz JGGQSRVWYICISZ-ZFJSRUIDSA-N 1 3 380.532 3.760 20 0 GHADHO COC(=O)[C@](C)(CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000470143127 1016736244 /nfs/dbraw/zinc/73/62/44/1016736244.db2.gz JGGQSRVWYICISZ-WNOPAQSVSA-N 1 3 380.532 3.760 20 0 GHADHO COC(=O)[C@](C)(CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000470143127 1016736260 /nfs/dbraw/zinc/73/62/60/1016736260.db2.gz JGGQSRVWYICISZ-WNOPAQSVSA-N 1 3 380.532 3.760 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CCN1CCOCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470950393 1016928578 /nfs/dbraw/zinc/92/85/78/1016928578.db2.gz XUTJLCGFYJVAHQ-AAVRWANBSA-N 1 3 376.385 3.548 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CCN1CCOCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470950393 1016928579 /nfs/dbraw/zinc/92/85/79/1016928579.db2.gz XUTJLCGFYJVAHQ-AAVRWANBSA-N 1 3 376.385 3.548 20 0 GHADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001221064756 1032263144 /nfs/dbraw/zinc/26/31/44/1032263144.db2.gz QJCAWEWHVJMRFG-VJBMBRPKSA-N 1 3 394.563 3.642 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001221088847 1032279482 /nfs/dbraw/zinc/27/94/82/1032279482.db2.gz YCTBIALKFGNUNM-MOPGFXCFSA-N 1 3 390.597 3.591 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001221088847 1032279495 /nfs/dbraw/zinc/27/94/95/1032279495.db2.gz YCTBIALKFGNUNM-MOPGFXCFSA-N 1 3 390.597 3.591 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)N(C)C)cc1 ZINC001221537083 1032452586 /nfs/dbraw/zinc/45/25/86/1032452586.db2.gz IIXQCBATWYTEGP-QFIPXVFZSA-N 1 3 388.600 3.655 20 0 GHADHO COc1ccc(C[C@H]([NH2+]C[C@@H]2CNCCC2(F)F)c2ccc(OC)cc2)cc1 ZINC000925786144 1017148573 /nfs/dbraw/zinc/14/85/73/1017148573.db2.gz VZTPCHRKTOEJPC-RXVVDRJESA-N 1 3 390.474 3.822 20 0 GHADHO COc1cccc(OC)c1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001204251673 1032695639 /nfs/dbraw/zinc/69/56/39/1032695639.db2.gz XVIBIBZBXSLLBW-UHFFFAOYSA-N 1 3 381.520 3.587 20 0 GHADHO COc1cccc(OC)c1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001204251673 1032695646 /nfs/dbraw/zinc/69/56/46/1032695646.db2.gz XVIBIBZBXSLLBW-UHFFFAOYSA-N 1 3 381.520 3.587 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)o1 ZINC001204390667 1032816855 /nfs/dbraw/zinc/81/68/55/1032816855.db2.gz IUZOHQUBFYKNOQ-HXUWFJFHSA-N 1 3 390.568 3.572 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)o1 ZINC001204390667 1032816869 /nfs/dbraw/zinc/81/68/69/1032816869.db2.gz IUZOHQUBFYKNOQ-HXUWFJFHSA-N 1 3 390.568 3.572 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245786193 1021025438 /nfs/dbraw/zinc/02/54/38/1021025438.db2.gz ZNYYSSCNRWNHAH-XSDIEEQYSA-N 1 3 385.552 3.781 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245786193 1021025443 /nfs/dbraw/zinc/02/54/43/1021025443.db2.gz ZNYYSSCNRWNHAH-XSDIEEQYSA-N 1 3 385.552 3.781 20 0 GHADHO CN1CCN(Cc2cccc(Nc3ccc(OC4CC[NH+](C)CC4)cc3)c2)CC1 ZINC001204565290 1032975794 /nfs/dbraw/zinc/97/57/94/1032975794.db2.gz XHSZVLUFEFBFCQ-UHFFFAOYSA-N 1 3 394.563 3.651 20 0 GHADHO CCCN1CCN(c2ccccc2CNc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000756121378 1023528252 /nfs/dbraw/zinc/52/82/52/1023528252.db2.gz ZWTMWMRKCNNPQZ-UHFFFAOYSA-N 1 3 396.579 3.771 20 0 GHADHO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(NC3=NCCC3)cc2)c1 ZINC001138227230 1024411138 /nfs/dbraw/zinc/41/11/38/1024411138.db2.gz ICSSCKPTJKCAEC-UHFFFAOYSA-N 1 3 394.519 3.503 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cccc(-c4ccsc4)c3)CC[C@@H]2C1 ZINC001141381550 1024798816 /nfs/dbraw/zinc/79/88/16/1024798816.db2.gz JAVJPCGGYSXDIE-IFMALSPDSA-N 1 3 386.561 3.584 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cccc(-c4ccsc4)c3)CC[C@@H]2C1 ZINC001141381550 1024798827 /nfs/dbraw/zinc/79/88/27/1024798827.db2.gz JAVJPCGGYSXDIE-IFMALSPDSA-N 1 3 386.561 3.584 20 0 GHADHO CO[C@H](C[NH+]1CCN(Cc2ccc(-n3ccnc3C)cc2)CC1)c1ccccc1 ZINC001138549773 1024997157 /nfs/dbraw/zinc/99/71/57/1024997157.db2.gz DRBZKACYABLHDK-XMMPIXPASA-N 1 3 390.531 3.686 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)cc2)CC1 ZINC001141454968 1025101770 /nfs/dbraw/zinc/10/17/70/1025101770.db2.gz XFQWNSXJLQGJJS-QHCPKHFHSA-N 1 3 389.559 3.747 20 0 GHADHO c1cncc(CN2CCC3(C2)CC[NH+](Cc2ccc4c(c2)CCCO4)CC3)c1 ZINC001138715425 1025238798 /nfs/dbraw/zinc/23/87/98/1025238798.db2.gz OQPOOHUTKRESNF-UHFFFAOYSA-N 1 3 377.532 3.895 20 0 GHADHO C[C@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@H]1CCCN(C2CCC2)C1 ZINC000839011023 1025516516 /nfs/dbraw/zinc/51/65/16/1025516516.db2.gz LKYZYOJPQKYVLJ-IRXDYDNUSA-N 1 3 377.573 3.629 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cccc(-c4ccc(F)cc4)c3)CC[C@@H]2C1 ZINC001139066301 1025862320 /nfs/dbraw/zinc/86/23/20/1025862320.db2.gz BLPQDABNPXBGGP-ISKFKSNPSA-N 1 3 398.522 3.662 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cccc(-c4ccc(F)cc4)c3)CC[C@@H]2C1 ZINC001139066301 1025862343 /nfs/dbraw/zinc/86/23/43/1025862343.db2.gz BLPQDABNPXBGGP-ISKFKSNPSA-N 1 3 398.522 3.662 20 0 GHADHO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001163902356 1026355228 /nfs/dbraw/zinc/35/52/28/1026355228.db2.gz NRZIODVZDJIINM-FQEVSTJZSA-N 1 3 380.879 3.656 20 0 GHADHO C[C@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001141775454 1027215362 /nfs/dbraw/zinc/21/53/62/1027215362.db2.gz PGLNPZPMUKTXDY-MBSDFSHPSA-N 1 3 386.499 3.640 20 0 GHADHO C[C@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001141775454 1027215368 /nfs/dbraw/zinc/21/53/68/1027215368.db2.gz PGLNPZPMUKTXDY-MBSDFSHPSA-N 1 3 386.499 3.640 20 0 GHADHO C[N@@H+]1CCC[C@H](CNCc2ccc(-n3cncn3)c(F)c2)[C@H]1c1cccs1 ZINC001461234786 1069455436 /nfs/dbraw/zinc/45/54/36/1069455436.db2.gz WXCOVJPCXGWQCH-UZLBHIALSA-N 1 3 385.512 3.641 20 0 GHADHO C[N@H+]1CCC[C@H](CNCc2ccc(-n3cncn3)c(F)c2)[C@H]1c1cccs1 ZINC001461234786 1069455438 /nfs/dbraw/zinc/45/54/38/1069455438.db2.gz WXCOVJPCXGWQCH-UZLBHIALSA-N 1 3 385.512 3.641 20 0 GHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC001210826112 1027665664 /nfs/dbraw/zinc/66/56/64/1027665664.db2.gz FYLFJJFWMALETC-NRFANRHFSA-N 1 3 388.600 3.707 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc(C(F)(F)F)c1 ZINC001461377808 1069525059 /nfs/dbraw/zinc/52/50/59/1069525059.db2.gz FWQPRYDSRIBMAR-HXUWFJFHSA-N 1 3 378.438 3.952 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc(C(F)(F)F)c1 ZINC001461377808 1069525068 /nfs/dbraw/zinc/52/50/68/1069525068.db2.gz FWQPRYDSRIBMAR-HXUWFJFHSA-N 1 3 378.438 3.952 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)ccc1OC ZINC000841763536 1028920074 /nfs/dbraw/zinc/92/00/74/1028920074.db2.gz ZMFJPZNATHEYMW-GOSISDBHSA-N 1 3 392.584 3.755 20 0 GHADHO Cc1cc([C@H](N)CC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)cc(Cl)n1 ZINC000841850398 1028976870 /nfs/dbraw/zinc/97/68/70/1028976870.db2.gz RBRFTNFBXUEIMD-CQSZACIVSA-N 1 3 386.805 3.550 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)sc2c1 ZINC000843125339 1029816390 /nfs/dbraw/zinc/81/63/90/1029816390.db2.gz SOLWUVRVBBNGJT-CHWSQXEVSA-N 1 3 380.355 3.880 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc2ncccc2c1 ZINC001461584626 1069623044 /nfs/dbraw/zinc/62/30/44/1069623044.db2.gz JNLYRDUDXLZDFU-ISKFKSNPSA-N 1 3 375.516 3.862 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc2ncccc2c1 ZINC001461584626 1069623073 /nfs/dbraw/zinc/62/30/73/1069623073.db2.gz JNLYRDUDXLZDFU-ISKFKSNPSA-N 1 3 375.516 3.862 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc3cccnc3[nH]1)CC2 ZINC001143214018 1029918155 /nfs/dbraw/zinc/91/81/55/1029918155.db2.gz ICOCYWQKHPBVQI-UHFFFAOYSA-N 1 3 375.520 3.835 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc3cccnc3[nH]1)CC2 ZINC001143214018 1029918158 /nfs/dbraw/zinc/91/81/58/1029918158.db2.gz ICOCYWQKHPBVQI-UHFFFAOYSA-N 1 3 375.520 3.835 20 0 GHADHO C[C@@H](CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC001222009825 1029929833 /nfs/dbraw/zinc/92/98/33/1029929833.db2.gz NQFPEPSKEMEBKG-UNMCSNQZSA-N 1 3 386.584 3.777 20 0 GHADHO Cn1c2ccccc2c(CN2CCC3(CC2)C[NH2+]CCO3)c1-c1ccccc1 ZINC001222208516 1030005573 /nfs/dbraw/zinc/00/55/73/1030005573.db2.gz OUFIZYSKINOGLJ-UHFFFAOYSA-N 1 3 375.516 3.800 20 0 GHADHO C[C@@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC001222211100 1030008842 /nfs/dbraw/zinc/00/88/42/1030008842.db2.gz KQVIDJJPZXKALD-XAPVIXHLSA-N 1 3 388.600 3.735 20 0 GHADHO C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC001222211100 1030008857 /nfs/dbraw/zinc/00/88/57/1030008857.db2.gz KQVIDJJPZXKALD-XAPVIXHLSA-N 1 3 388.600 3.735 20 0 GHADHO [NH3+]CC1(F)CCN(Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC001222548262 1030192396 /nfs/dbraw/zinc/19/23/96/1030192396.db2.gz DBPIOQYFEMAHJV-UHFFFAOYSA-N 1 3 383.389 3.910 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)N2Cc2ccc3c(c2)CCN3)cc1 ZINC001222591147 1030219104 /nfs/dbraw/zinc/21/91/04/1030219104.db2.gz RNBDOUGYCFPKPE-QHCPKHFHSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2Cc2ccc3c(c2)CCN3)cc1 ZINC001222591147 1030219121 /nfs/dbraw/zinc/21/91/21/1030219121.db2.gz RNBDOUGYCFPKPE-QHCPKHFHSA-N 1 3 391.559 3.958 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2Cc2ccc3c(c2)CCN3)cc1 ZINC001222591147 1030219137 /nfs/dbraw/zinc/21/91/37/1030219137.db2.gz RNBDOUGYCFPKPE-QHCPKHFHSA-N 1 3 391.559 3.958 20 0 GHADHO CCOC(=O)c1ccc2c(C[N@@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)c[nH]c2c1 ZINC001222614170 1030237855 /nfs/dbraw/zinc/23/78/55/1030237855.db2.gz BFXOABMDUYNDKY-NRFANRHFSA-N 1 3 389.499 3.534 20 0 GHADHO CCOC(=O)c1ccc2c(C[N@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)c[nH]c2c1 ZINC001222614170 1030237866 /nfs/dbraw/zinc/23/78/66/1030237866.db2.gz BFXOABMDUYNDKY-NRFANRHFSA-N 1 3 389.499 3.534 20 0 GHADHO C[NH+](C)Cc1ccc(-c2cnc(O[C@@H]3CCNC[C@H]3F)c3cccc(O)c32)cc1 ZINC001218070385 1030756148 /nfs/dbraw/zinc/75/61/48/1030756148.db2.gz MFUPVAHWCAULIR-TZIWHRDSSA-N 1 3 395.478 3.748 20 0 GHADHO C=Cc1ccc(NC(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)cc1 ZINC001218841924 1031108512 /nfs/dbraw/zinc/10/85/12/1031108512.db2.gz PDUSNHHVDNGZMK-ZJSXRUAMSA-N 1 3 375.516 3.770 20 0 GHADHO Cc1cc(N)ccc1CCc1ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1C ZINC001218962931 1031180749 /nfs/dbraw/zinc/18/07/49/1031180749.db2.gz NFJKWKYQRMCHHA-QHCPKHFHSA-N 1 3 396.579 3.669 20 0 GHADHO Cc1cc(Br)cc(C(C)C)c1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001219134118 1031266417 /nfs/dbraw/zinc/26/64/17/1031266417.db2.gz LWONTEIXBRIGGN-INIZCTEOSA-N 1 3 384.362 3.879 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCc1cccc(Oc2ccccc2)c1 ZINC001219906147 1031684382 /nfs/dbraw/zinc/68/43/82/1031684382.db2.gz KHYOYXAKEAOKLP-QFIPXVFZSA-N 1 3 383.536 3.633 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001219999608 1031738934 /nfs/dbraw/zinc/73/89/34/1031738934.db2.gz YJCZBNHSHCHXHT-DNVJHFABSA-N 1 3 377.532 3.681 20 0 GHADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001220162121 1031809608 /nfs/dbraw/zinc/80/96/08/1031809608.db2.gz HRNGPYPHBYTGKK-DWLFOUALSA-N 1 3 389.971 3.591 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC001220610460 1032010461 /nfs/dbraw/zinc/01/04/61/1032010461.db2.gz IUQVZTGKQGCKGF-VXKWHMMOSA-N 1 3 388.600 3.653 20 0 GHADHO [NH3+]C[C@]1(F)CCCN(Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC1 ZINC001205592716 1033483965 /nfs/dbraw/zinc/48/39/65/1033483965.db2.gz XITMMHXZEDNFBP-QFIPXVFZSA-N 1 3 386.467 3.647 20 0 GHADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(C)c1I ZINC001206036602 1033696882 /nfs/dbraw/zinc/69/68/82/1033696882.db2.gz LWBFGUKJMJFUEC-GOEBONIOSA-N 1 3 386.321 3.715 20 0 GHADHO Cc1cccc(C2(Cc3nc(-c4ccc(CN(C)C)cc4)no3)CC[NH2+]CC2)c1 ZINC001206391598 1033824560 /nfs/dbraw/zinc/82/45/60/1033824560.db2.gz VMYWCKKSBCAQAQ-UHFFFAOYSA-N 1 3 390.531 3.971 20 0 GHADHO CC(C)N(Cc1ccc(I)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206598827 1033919613 /nfs/dbraw/zinc/91/96/13/1033919613.db2.gz MWHPUVDWWVREJU-AWEZNQCLSA-N 1 3 390.284 3.783 20 0 GHADHO COc1cc(C)ccc1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001206756509 1033971233 /nfs/dbraw/zinc/97/12/33/1033971233.db2.gz QXZBIHSLPCIMSY-UHFFFAOYSA-N 1 3 395.547 3.513 20 0 GHADHO CN1CCC(N(c2nc(Cl)nc3cccc(Cl)c32)C2CC[NH2+]CC2)CC1 ZINC001158581809 1034166278 /nfs/dbraw/zinc/16/62/78/1034166278.db2.gz WMSFTJXYEVJWKG-UHFFFAOYSA-N 1 3 394.350 3.589 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207245119 1034207766 /nfs/dbraw/zinc/20/77/66/1034207766.db2.gz RNCGQTYOUPZMQT-FSSWDIPSSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(CCc3ccc(Br)cc3)C2)C1 ZINC001207379541 1034324737 /nfs/dbraw/zinc/32/47/37/1034324737.db2.gz ATKZULYFCOPDBJ-HXUWFJFHSA-N 1 3 395.385 3.814 20 0 GHADHO CC(C)[N@H+]1CCOC[C@@]2(CCCN(CCc3ccc(Br)cc3)C2)C1 ZINC001207379541 1034324752 /nfs/dbraw/zinc/32/47/52/1034324752.db2.gz ATKZULYFCOPDBJ-HXUWFJFHSA-N 1 3 395.385 3.814 20 0 GHADHO Nc1cccnc1N(c1ccc(CN2CCCCC2)c(F)c1)C1CC[NH2+]CC1 ZINC001159288663 1034525217 /nfs/dbraw/zinc/52/52/17/1034525217.db2.gz GKGNDNXABYSRQX-UHFFFAOYSA-N 1 3 383.515 3.679 20 0 GHADHO COC(=O)c1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1O ZINC001231419783 1034570537 /nfs/dbraw/zinc/57/05/37/1034570537.db2.gz RVGZHRSFOQDODB-UHFFFAOYSA-N 1 3 394.515 3.667 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+](CC3CC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001207808762 1034586595 /nfs/dbraw/zinc/58/65/95/1034586595.db2.gz KJMFPGFLYDKEDU-BGYRXZFFSA-N 1 3 391.600 3.687 20 0 GHADHO CCCN1C[C@@H]2C[N@H+](CC3CC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001207808762 1034586598 /nfs/dbraw/zinc/58/65/98/1034586598.db2.gz KJMFPGFLYDKEDU-BGYRXZFFSA-N 1 3 391.600 3.687 20 0 GHADHO CCC[N@H+]1C[C@H]2CN(CC3CC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]2C1 ZINC001207808762 1034586601 /nfs/dbraw/zinc/58/66/01/1034586601.db2.gz KJMFPGFLYDKEDU-BGYRXZFFSA-N 1 3 391.600 3.687 20 0 GHADHO CCC[N@@H+]1C[C@H]2CN(CC3CC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]2C1 ZINC001207808762 1034586603 /nfs/dbraw/zinc/58/66/03/1034586603.db2.gz KJMFPGFLYDKEDU-BGYRXZFFSA-N 1 3 391.600 3.687 20 0 GHADHO Cc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc(C2CC2)n1 ZINC001159468424 1034609738 /nfs/dbraw/zinc/60/97/38/1034609738.db2.gz VMFIPVMLKFJFKJ-UHFFFAOYSA-N 1 3 375.520 3.572 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cc(C4CCC4)ncn3)c3ccccc23)CC1 ZINC001159467069 1034609957 /nfs/dbraw/zinc/60/99/57/1034609957.db2.gz LZYYEEQSOSZFFX-UHFFFAOYSA-N 1 3 375.520 3.654 20 0 GHADHO Fc1cccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1N1CC[NH2+]CC1 ZINC001160114115 1034866948 /nfs/dbraw/zinc/86/69/48/1034866948.db2.gz KOQRNLBWKKSWQE-RTWAWAEBSA-N 1 3 392.522 3.968 20 0 GHADHO CC/C=C\CCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001208727867 1034991187 /nfs/dbraw/zinc/99/11/87/1034991187.db2.gz SXWHDZXVAXECAA-TXRVJCEASA-N 1 3 383.580 3.988 20 0 GHADHO CC/C=C\CCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001208727867 1034991191 /nfs/dbraw/zinc/99/11/91/1034991191.db2.gz SXWHDZXVAXECAA-TXRVJCEASA-N 1 3 383.580 3.988 20 0 GHADHO COc1ccc(CC[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)cc1OC ZINC001208755662 1035001506 /nfs/dbraw/zinc/00/15/06/1035001506.db2.gz HCOCVLQSUSAXBG-UHFFFAOYSA-N 1 3 395.547 3.629 20 0 GHADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CCCCN1C1CCCC1 ZINC001160737976 1035049933 /nfs/dbraw/zinc/04/99/33/1035049933.db2.gz APWADAPUJDGFHD-VXKWHMMOSA-N 1 3 375.601 3.944 20 0 GHADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCCCN1C1CCCC1 ZINC001160737976 1035049939 /nfs/dbraw/zinc/04/99/39/1035049939.db2.gz APWADAPUJDGFHD-VXKWHMMOSA-N 1 3 375.601 3.944 20 0 GHADHO CCC(C)(C)c1ccc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001232079768 1035081460 /nfs/dbraw/zinc/08/14/60/1035081460.db2.gz YXOGBBGVXHWJPO-UHFFFAOYSA-N 1 3 395.591 3.698 20 0 GHADHO CCC(C)(C)c1ccc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001232079768 1035081466 /nfs/dbraw/zinc/08/14/66/1035081466.db2.gz YXOGBBGVXHWJPO-UHFFFAOYSA-N 1 3 395.591 3.698 20 0 GHADHO Cc1ccc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)n1 ZINC001232081733 1035083138 /nfs/dbraw/zinc/08/31/38/1035083138.db2.gz FTEXNKIRGYAHQS-QHCPKHFHSA-N 1 3 379.548 3.954 20 0 GHADHO Cc1ccc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)n1 ZINC001232081733 1035083147 /nfs/dbraw/zinc/08/31/47/1035083147.db2.gz FTEXNKIRGYAHQS-QHCPKHFHSA-N 1 3 379.548 3.954 20 0 GHADHO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208931550 1035095774 /nfs/dbraw/zinc/09/57/74/1035095774.db2.gz AGEIBQNRSKJHIW-HXUWFJFHSA-N 1 3 399.579 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940542 1035110016 /nfs/dbraw/zinc/11/00/16/1035110016.db2.gz DKAUHBGUNYZJIF-URXFXBBRSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940542 1035110019 /nfs/dbraw/zinc/11/00/19/1035110019.db2.gz DKAUHBGUNYZJIF-URXFXBBRSA-N 1 3 399.579 3.984 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCCOCc1ccccc1)C2 ZINC001209254945 1035223461 /nfs/dbraw/zinc/22/34/61/1035223461.db2.gz VFOKUKDYHCHIDN-RPWUZVMVSA-N 1 3 386.580 3.664 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCCOCc1ccccc1)C2 ZINC001209254945 1035223465 /nfs/dbraw/zinc/22/34/65/1035223465.db2.gz VFOKUKDYHCHIDN-RPWUZVMVSA-N 1 3 386.580 3.664 20 0 GHADHO CN(C)CCN(C(=O)C1CCC(c2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001161445055 1035232774 /nfs/dbraw/zinc/23/27/74/1035232774.db2.gz MRJYFOVDEBAZAD-CNBHCMJISA-N 1 3 391.987 3.756 20 0 GHADHO O=C(c1cccs1)N1CCC2(CC1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001209451926 1035277828 /nfs/dbraw/zinc/27/78/28/1035277828.db2.gz WWCQYGLMGHTWAV-UHFFFAOYSA-N 1 3 389.609 3.942 20 0 GHADHO CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246052323 1037164857 /nfs/dbraw/zinc/16/48/57/1037164857.db2.gz LXFVLYQXAMXAMD-CCDWMCETSA-N 1 3 392.543 3.515 20 0 GHADHO CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246052323 1037164866 /nfs/dbraw/zinc/16/48/66/1037164866.db2.gz LXFVLYQXAMXAMD-CCDWMCETSA-N 1 3 392.543 3.515 20 0 GHADHO CC(C)[N@H+](C[C@@H](O)[C@@H](N)Cc1ccccc1)C[C@@H](O)c1ccc2ccccc2c1 ZINC001246052325 1037165592 /nfs/dbraw/zinc/16/55/92/1037165592.db2.gz LXFVLYQXAMXAMD-ISJGIBHGSA-N 1 3 392.543 3.515 20 0 GHADHO CC(C)[N@@H+](C[C@@H](O)[C@@H](N)Cc1ccccc1)C[C@@H](O)c1ccc2ccccc2c1 ZINC001246052325 1037165595 /nfs/dbraw/zinc/16/55/95/1037165595.db2.gz LXFVLYQXAMXAMD-ISJGIBHGSA-N 1 3 392.543 3.515 20 0 GHADHO Brc1cccc(OCC[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246099289 1037192932 /nfs/dbraw/zinc/19/29/32/1037192932.db2.gz GOPGPFGVNCKCOU-OALUTQOASA-N 1 3 389.337 3.781 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)[C@@H]1CCNC2(CCC2)C1 ZINC001246283641 1037275111 /nfs/dbraw/zinc/27/51/11/1037275111.db2.gz WRVWHFUDFNUURK-XFKSJGNHSA-N 1 3 382.589 3.754 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@@H]1CCNC2(CCC2)C1 ZINC001246283641 1037275133 /nfs/dbraw/zinc/27/51/33/1037275133.db2.gz WRVWHFUDFNUURK-XFKSJGNHSA-N 1 3 382.589 3.754 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246283641 1037275150 /nfs/dbraw/zinc/27/51/50/1037275150.db2.gz WRVWHFUDFNUURK-XFKSJGNHSA-N 1 3 382.589 3.754 20 0 GHADHO C[NH2+]C1CCC(NCc2c(Br)cccc2Br)CC1 ZINC001246346344 1037305954 /nfs/dbraw/zinc/30/59/54/1037305954.db2.gz DIDVDQDGOXUNKN-UHFFFAOYSA-N 1 3 376.136 3.832 20 0 GHADHO Fc1cc(F)cc(CN2CCC([NH2+][C@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246357575 1037315040 /nfs/dbraw/zinc/31/50/40/1037315040.db2.gz BEMYENKENNHLNN-ZEQRLZLVSA-N 1 3 399.529 3.882 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccccc3F)C2)CC[NH2+]1 ZINC001246362448 1037322847 /nfs/dbraw/zinc/32/28/47/1037322847.db2.gz SSAYPZQHAASCJW-MZKRTTBSSA-N 1 3 385.502 3.930 20 0 GHADHO CCOC(=O)N1CCC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)CC1 ZINC001246381954 1037340571 /nfs/dbraw/zinc/34/05/71/1037340571.db2.gz VJRSUGGEMGRFOR-SFHVURJKSA-N 1 3 393.959 3.605 20 0 GHADHO CC(C)(C)OC(=O)C1CCC([NH2+]C2(Cc3ccccc3F)CCNCC2)CC1 ZINC001246382727 1037342907 /nfs/dbraw/zinc/34/29/07/1037342907.db2.gz ZTVNFTMCNBLRHF-UHFFFAOYSA-N 1 3 390.543 3.981 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H](NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246430925 1037392161 /nfs/dbraw/zinc/39/21/61/1037392161.db2.gz VYLSPYVOZIXWKH-FUHWJXTLSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246430925 1037392179 /nfs/dbraw/zinc/39/21/79/1037392179.db2.gz VYLSPYVOZIXWKH-FUHWJXTLSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2C[C@H](CN)CC[C@H]2C)CC1 ZINC001246595516 1037496908 /nfs/dbraw/zinc/49/69/08/1037496908.db2.gz ZYMIPFOBPBPWKZ-QOXJJDPVSA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H](CN)CC[C@H]2C)CC1 ZINC001246595516 1037496927 /nfs/dbraw/zinc/49/69/27/1037496927.db2.gz ZYMIPFOBPBPWKZ-QOXJJDPVSA-N 1 3 378.944 3.753 20 0 GHADHO COc1ccc2c(c1)C1(CC[NH2+]CC1)N([C@@H]1CCc3cc(F)ccc3C1)CC2 ZINC001246642364 1037523539 /nfs/dbraw/zinc/52/35/39/1037523539.db2.gz VWIZRTREVYLKLE-OAQYLSRUSA-N 1 3 380.507 3.829 20 0 GHADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CCN1 ZINC001246664443 1037535752 /nfs/dbraw/zinc/53/57/52/1037535752.db2.gz XJRTXOFINAXXMK-ZXHYAQOVSA-N 1 3 379.548 3.672 20 0 GHADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CCN1 ZINC001246664443 1037535757 /nfs/dbraw/zinc/53/57/57/1037535757.db2.gz XJRTXOFINAXXMK-ZXHYAQOVSA-N 1 3 379.548 3.672 20 0 GHADHO C[C@H]1C[C@@H](N2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246664443 1037535762 /nfs/dbraw/zinc/53/57/62/1037535762.db2.gz XJRTXOFINAXXMK-ZXHYAQOVSA-N 1 3 379.548 3.672 20 0 GHADHO Cn1cnc2c1cc(C1CCN([C@@H]3CCC[NH2+]CC3)CC1)nc2-c1ccccc1 ZINC001246696117 1037552918 /nfs/dbraw/zinc/55/29/18/1037552918.db2.gz PQXOCQRNBWXDFL-HXUWFJFHSA-N 1 3 389.547 3.957 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246761378 1037603316 /nfs/dbraw/zinc/60/33/16/1037603316.db2.gz BBPZNLMQQFXPIQ-OHEPNIRZSA-N 1 3 391.506 3.560 20 0 GHADHO CC(C)CN1c2ccccc2[C@@]2(CCN([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)C1=O ZINC001246780904 1037621713 /nfs/dbraw/zinc/62/17/13/1037621713.db2.gz VVPVWIZMZMFANZ-XZOYJPPVSA-N 1 3 383.580 3.799 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246795703 1037632483 /nfs/dbraw/zinc/63/24/83/1037632483.db2.gz KBZXSPJSBKWCOQ-NMMYMHLASA-N 1 3 381.564 3.698 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001246807569 1037642660 /nfs/dbraw/zinc/64/26/60/1037642660.db2.gz SBRXPCWXWVLYKV-VQIMIIECSA-N 1 3 382.390 3.906 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)CC1 ZINC001246962090 1037783507 /nfs/dbraw/zinc/78/35/07/1037783507.db2.gz SWBGSTNXQURJOV-HXUWFJFHSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)CC1 ZINC001246962090 1037783525 /nfs/dbraw/zinc/78/35/25/1037783525.db2.gz SWBGSTNXQURJOV-HXUWFJFHSA-N 1 3 391.531 3.699 20 0 GHADHO CCOC(=O)N1CCC[C@@H](N(Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001246962090 1037783534 /nfs/dbraw/zinc/78/35/34/1037783534.db2.gz SWBGSTNXQURJOV-HXUWFJFHSA-N 1 3 391.531 3.699 20 0 GHADHO c1ccc(CN2CCN(c3ccc4[nH]c(C[C@H]5CCCC[NH2+]5)nc4c3)CC2)cc1 ZINC001247010367 1037835402 /nfs/dbraw/zinc/83/54/02/1037835402.db2.gz IMOKJJNMBAZEFV-HXUWFJFHSA-N 1 3 389.547 3.570 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000721862015 1038412706 /nfs/dbraw/zinc/41/27/06/1038412706.db2.gz NZNJFTUSYSUIRY-KMKNWIINSA-N 1 3 399.579 3.885 20 0 GHADHO CC(C)(O)c1ccc(CN2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)cn1 ZINC001232824834 1038578691 /nfs/dbraw/zinc/57/86/91/1038578691.db2.gz JTPLEWSUGPXDQK-UHFFFAOYSA-N 1 3 385.577 3.859 20 0 GHADHO CC(C)(O)c1ccc(CN2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cn1 ZINC001232824834 1038578705 /nfs/dbraw/zinc/57/87/05/1038578705.db2.gz JTPLEWSUGPXDQK-UHFFFAOYSA-N 1 3 385.577 3.859 20 0 GHADHO Cc1[nH]c2ccc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)cc2c1C ZINC001254048842 1039974682 /nfs/dbraw/zinc/97/46/82/1039974682.db2.gz ZSQFLZYSIDKWNS-UHFFFAOYSA-N 1 3 377.532 3.901 20 0 GHADHO OC1(CN[C@H](c2ccncc2Cl)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254052768 1039977788 /nfs/dbraw/zinc/97/77/88/1039977788.db2.gz UFLOAKVAFUHCAU-NRFANRHFSA-N 1 3 385.939 3.803 20 0 GHADHO COC(=O)C[C@H]([NH2+][C@H]1CCCN(C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506574 1040286839 /nfs/dbraw/zinc/28/68/39/1040286839.db2.gz UKPJONDDYVXULL-GMAHTHKFSA-N 1 3 396.531 3.944 20 0 GHADHO Cc1cc(CN2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(OCc2ccccc2)cc1C ZINC001235036974 1040532490 /nfs/dbraw/zinc/53/24/90/1040532490.db2.gz ANSXNNLUOZWWHE-ZJSXRUAMSA-N 1 3 380.532 3.693 20 0 GHADHO Cc1ccc(I)cc1CN1CCC2(CC[NH2+]CC2)CC1 ZINC001235132222 1040625530 /nfs/dbraw/zinc/62/55/30/1040625530.db2.gz HLIHGGPNDMNUMU-UHFFFAOYSA-N 1 3 384.305 3.565 20 0 GHADHO Brc1ccc2c(c1)n[nH]c2CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235242065 1040723340 /nfs/dbraw/zinc/72/33/40/1040723340.db2.gz QEAGMMLXFDBTRZ-MRXNPFEDSA-N 1 3 377.330 3.680 20 0 GHADHO COc1cc(CN2CCC(C3C[NH2+]C3)CC2)cc(OC)c1OCc1ccccc1 ZINC001235340590 1040811081 /nfs/dbraw/zinc/81/10/81/1040811081.db2.gz RHTFFFBMFCDWRM-UHFFFAOYSA-N 1 3 396.531 3.714 20 0 GHADHO Cc1ccnc(OC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)n1 ZINC001255149451 1040867533 /nfs/dbraw/zinc/86/75/33/1040867533.db2.gz HRTSZTCEZJLMRR-KOUNCHBCSA-N 1 3 392.547 3.824 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151267 1040875095 /nfs/dbraw/zinc/87/50/95/1040875095.db2.gz VGWIWNHFBJRCSU-CLAROIROSA-N 1 3 378.520 3.515 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151267 1040875106 /nfs/dbraw/zinc/87/51/06/1040875106.db2.gz VGWIWNHFBJRCSU-CLAROIROSA-N 1 3 378.520 3.515 20 0 GHADHO c1ccc([C@]23CC[NH2+]C[C@H]2CN(Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372334 1040879786 /nfs/dbraw/zinc/87/97/86/1040879786.db2.gz TYQCOUIVVISRLS-UKILVPOCSA-N 1 3 384.527 3.897 20 0 GHADHO c1ccc([C@]23CCNC[C@H]2C[N@H+](Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372334 1040879799 /nfs/dbraw/zinc/87/97/99/1040879799.db2.gz TYQCOUIVVISRLS-UKILVPOCSA-N 1 3 384.527 3.897 20 0 GHADHO c1ccc([C@]23CCNC[C@H]2C[N@@H+](Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372334 1040879817 /nfs/dbraw/zinc/87/98/17/1040879817.db2.gz TYQCOUIVVISRLS-UKILVPOCSA-N 1 3 384.527 3.897 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001255230752 1040918549 /nfs/dbraw/zinc/91/85/49/1040918549.db2.gz SDPRLFHHGYDCIJ-FNLKRUPLSA-N 1 3 377.573 3.914 20 0 GHADHO COc1cncc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001235463185 1040948910 /nfs/dbraw/zinc/94/89/10/1040948910.db2.gz KLPZOTQQQHBJOW-UHFFFAOYSA-N 1 3 380.536 3.670 20 0 GHADHO COc1cncc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001235463185 1040948911 /nfs/dbraw/zinc/94/89/11/1040948911.db2.gz KLPZOTQQQHBJOW-UHFFFAOYSA-N 1 3 380.536 3.670 20 0 GHADHO Cc1cc(O[C@H]2CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)ncn1 ZINC001255409625 1040998186 /nfs/dbraw/zinc/99/81/86/1040998186.db2.gz JEYGBIOMLIJOCP-YADHBBJMSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cc(O[C@H]2CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)ncn1 ZINC001255409625 1040998193 /nfs/dbraw/zinc/99/81/93/1040998193.db2.gz JEYGBIOMLIJOCP-YADHBBJMSA-N 1 3 380.536 3.683 20 0 GHADHO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410323 1040998912 /nfs/dbraw/zinc/99/89/12/1040998912.db2.gz UKOCUZICNBWWKX-JTHBVZDNSA-N 1 3 378.516 3.814 20 0 GHADHO COC(=O)[C@@H]1C[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410323 1040998922 /nfs/dbraw/zinc/99/89/22/1040998922.db2.gz UKOCUZICNBWWKX-JTHBVZDNSA-N 1 3 378.516 3.814 20 0 GHADHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OCC1CCOCC1 ZINC001255670846 1041203482 /nfs/dbraw/zinc/20/34/82/1041203482.db2.gz BXUTXUUUAQJKNG-SEJPIABJSA-N 1 3 388.552 3.606 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255941472 1041429160 /nfs/dbraw/zinc/42/91/60/1041429160.db2.gz RNNQZEPXWBPVFL-MOPGFXCFSA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964531 1041443620 /nfs/dbraw/zinc/44/36/20/1041443620.db2.gz ZGAHXLVZMCVJMD-QPPBQGQZSA-N 1 3 385.596 3.664 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964531 1041443632 /nfs/dbraw/zinc/44/36/32/1041443632.db2.gz ZGAHXLVZMCVJMD-QPPBQGQZSA-N 1 3 385.596 3.664 20 0 GHADHO CCCN(C(=O)NCC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001256034210 1041485634 /nfs/dbraw/zinc/48/56/34/1041485634.db2.gz WSGFWYNBTMSPKT-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO CCCN(C(=O)NCC[N@H+]1CCC[C@@H]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001256034210 1041485648 /nfs/dbraw/zinc/48/56/48/1041485648.db2.gz WSGFWYNBTMSPKT-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO CCN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001256070392 1041505424 /nfs/dbraw/zinc/50/54/24/1041505424.db2.gz YDPMMZVOALRMER-MHIUNMELSA-N 1 3 398.595 3.699 20 0 GHADHO Clc1cc(OCc2ccccc2)ccc1CN1CCC([NH+]2CCNCC2)CC1 ZINC001236128208 1041556215 /nfs/dbraw/zinc/55/62/15/1041556215.db2.gz NPDMWFTYRHSAPB-UHFFFAOYSA-N 1 3 399.966 3.789 20 0 GHADHO COC(=O)[C@H]1CC[C@H](C[N@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001236509124 1041745715 /nfs/dbraw/zinc/74/57/15/1041745715.db2.gz GVZZIPWDMBBANY-IYARVYRRSA-N 1 3 376.516 3.668 20 0 GHADHO COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001236509124 1041745724 /nfs/dbraw/zinc/74/57/24/1041745724.db2.gz GVZZIPWDMBBANY-IYARVYRRSA-N 1 3 376.516 3.668 20 0 GHADHO O=C1CC2(CCN(Cc3cn4c5c3cccc5C[NH2+]CC4)CC2)c2ccccc21 ZINC001236532941 1041754947 /nfs/dbraw/zinc/75/49/47/1041754947.db2.gz IONDYMBNBOQSHL-UHFFFAOYSA-N 1 3 385.511 3.865 20 0 GHADHO [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)Cc2ccc([O-])c3[nH]c(=O)ccc23)CC1 ZINC001236694799 1041836614 /nfs/dbraw/zinc/83/66/14/1041836614.db2.gz QYFDRLZVLDOEAZ-WGSAOQKQSA-N 1 3 377.488 3.918 20 0 GHADHO [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)Cc2ccc([O-])c3[nH]c(=O)ccc23)CC1 ZINC001236694799 1041836621 /nfs/dbraw/zinc/83/66/21/1041836621.db2.gz QYFDRLZVLDOEAZ-WGSAOQKQSA-N 1 3 377.488 3.918 20 0 GHADHO COc1ccc(Br)c(CN(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236780592 1041888248 /nfs/dbraw/zinc/88/82/48/1041888248.db2.gz VCLHLGDXWJOJER-HDJSIYSDSA-N 1 3 384.362 3.971 20 0 GHADHO CCCN(Cc1ccc(-c2cc(C(F)(F)F)nn2C)s1)C[C@@H]1CC[NH2+]C1 ZINC001236835602 1041922877 /nfs/dbraw/zinc/92/28/77/1041922877.db2.gz NVEGPRKUKZTWIW-CYBMUJFWSA-N 1 3 386.487 3.989 20 0 GHADHO CN1CCN(c2cccc(C[N@H+](C)C3CCN(Cc4ccccc4)CC3)c2)CC1 ZINC001236887485 1041940788 /nfs/dbraw/zinc/94/07/88/1041940788.db2.gz LKGBGGULAGTOCR-UHFFFAOYSA-N 1 3 392.591 3.535 20 0 GHADHO CN1CCN(c2cccc(C[N@@H+](C)C3CCN(Cc4ccccc4)CC3)c2)CC1 ZINC001236887485 1041940791 /nfs/dbraw/zinc/94/07/91/1041940791.db2.gz LKGBGGULAGTOCR-UHFFFAOYSA-N 1 3 392.591 3.535 20 0 GHADHO [NH3+][C@H]1CCC12CCN(Cc1cc(Br)ccc1OC(F)F)CC2 ZINC001237360431 1042169056 /nfs/dbraw/zinc/16/90/56/1042169056.db2.gz ZEHAYISUSYUCKG-AWEZNQCLSA-N 1 3 375.257 3.754 20 0 GHADHO COC(=O)c1ccc([C@H]2CCCCN2Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001237410248 1042196315 /nfs/dbraw/zinc/19/63/15/1042196315.db2.gz KPJNOLPGRCNOIO-JOCHJYFZSA-N 1 3 393.531 3.610 20 0 GHADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1cccc(Br)c1 ZINC001278115998 1042266538 /nfs/dbraw/zinc/26/65/38/1042266538.db2.gz CCOKWITWZUWGBL-IHWFROFDSA-N 1 3 394.401 3.528 20 0 GHADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(Br)c1 ZINC001278115998 1042266541 /nfs/dbraw/zinc/26/65/41/1042266541.db2.gz CCOKWITWZUWGBL-IHWFROFDSA-N 1 3 394.401 3.528 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cccc4c3OCC4)C[C@H]21 ZINC001237749003 1042352344 /nfs/dbraw/zinc/35/23/44/1042352344.db2.gz HSLWZTJDCHFQRD-WWPVKYPJSA-N 1 3 377.532 3.749 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cccc4c3OCC4)C[C@H]21 ZINC001237749003 1042352349 /nfs/dbraw/zinc/35/23/49/1042352349.db2.gz HSLWZTJDCHFQRD-WWPVKYPJSA-N 1 3 377.532 3.749 20 0 GHADHO COC(=O)C[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001462638234 1070433756 /nfs/dbraw/zinc/43/37/56/1070433756.db2.gz NCQXPMATYONMGM-KIHHCIJBSA-N 1 3 392.543 3.804 20 0 GHADHO COC(=O)C[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462638234 1070433775 /nfs/dbraw/zinc/43/37/75/1070433775.db2.gz NCQXPMATYONMGM-KIHHCIJBSA-N 1 3 392.543 3.804 20 0 GHADHO COC(=O)C[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001462638234 1070433785 /nfs/dbraw/zinc/43/37/85/1070433785.db2.gz NCQXPMATYONMGM-KIHHCIJBSA-N 1 3 392.543 3.804 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)CCN1Cc1ccccc1 ZINC001256530135 1043460763 /nfs/dbraw/zinc/46/07/63/1043460763.db2.gz KBBQDLRXKMDXRQ-WKNJGTSGSA-N 1 3 375.560 3.760 20 0 GHADHO COc1ccccc1CC1([NH3+])CCN([C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256642781 1043589448 /nfs/dbraw/zinc/58/94/48/1043589448.db2.gz RZQQVBGMJMLWKL-HXUWFJFHSA-N 1 3 380.532 3.597 20 0 GHADHO Brc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CCO2 ZINC001256677002 1043616792 /nfs/dbraw/zinc/61/67/92/1043616792.db2.gz JUXWEHYTDXJEKJ-LEOMRAHMSA-N 1 3 395.341 3.506 20 0 GHADHO CC(C)[NH+]1CCC(N2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001257217953 1043940122 /nfs/dbraw/zinc/94/01/22/1043940122.db2.gz SDSGDXAJWBPQPA-OAQYLSRUSA-N 1 3 375.582 3.549 20 0 GHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001257559613 1044043620 /nfs/dbraw/zinc/04/36/20/1044043620.db2.gz OOJORYUIAUCHMN-ATZDWAIDSA-N 1 3 381.358 3.613 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C1CCC(c3ccccc3)CC1)CC2 ZINC001257997086 1044324170 /nfs/dbraw/zinc/32/41/70/1044324170.db2.gz QQWYXRNGBHXSDC-UHFFFAOYSA-N 1 3 393.575 3.537 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C1CCC(c3ccccc3)CC1)CC2 ZINC001257997086 1044324182 /nfs/dbraw/zinc/32/41/82/1044324182.db2.gz QQWYXRNGBHXSDC-UHFFFAOYSA-N 1 3 393.575 3.537 20 0 GHADHO CC(C)CN1CCC([NH2+][C@H]2CCN(Cc3cccc(Br)c3)C2)CC1 ZINC001258008176 1044334344 /nfs/dbraw/zinc/33/43/44/1044334344.db2.gz JHNUHSXFQYMZSR-FQEVSTJZSA-N 1 3 394.401 3.733 20 0 GHADHO COC(=O)[C@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001258149287 1044439071 /nfs/dbraw/zinc/43/90/71/1044439071.db2.gz HYPRODJVDQXKEP-RPWUZVMVSA-N 1 3 392.543 3.582 20 0 GHADHO COC(=O)CC[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001258358056 1044522067 /nfs/dbraw/zinc/52/20/67/1044522067.db2.gz MPVNEIRTGHEEQA-VJBMBRPKSA-N 1 3 380.532 3.976 20 0 GHADHO COC(=O)CC[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001258358056 1044522082 /nfs/dbraw/zinc/52/20/82/1044522082.db2.gz MPVNEIRTGHEEQA-VJBMBRPKSA-N 1 3 380.532 3.976 20 0 GHADHO O=C1CC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCN1Cc1ccccc1 ZINC001258579096 1044653690 /nfs/dbraw/zinc/65/36/90/1044653690.db2.gz WSDLJRXBJNBECU-JOCHJYFZSA-N 1 3 383.580 3.812 20 0 GHADHO O=C1CC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCN1Cc1ccccc1 ZINC001258579097 1044654367 /nfs/dbraw/zinc/65/43/67/1044654367.db2.gz WSDLJRXBJNBECU-QFIPXVFZSA-N 1 3 383.580 3.812 20 0 GHADHO O=C(c1ccccc1)N1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001258641342 1044683499 /nfs/dbraw/zinc/68/34/99/1044683499.db2.gz KMKREBOZFRGWLV-FQEVSTJZSA-N 1 3 381.564 3.702 20 0 GHADHO CCCN1CCC([NH2+]Cc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001258767905 1044755585 /nfs/dbraw/zinc/75/55/85/1044755585.db2.gz ONZMYYUHWFFYFH-UHFFFAOYSA-N 1 3 387.568 3.944 20 0 GHADHO CCC[NH+]1CCC(N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)CC1 ZINC001258774423 1044759543 /nfs/dbraw/zinc/75/95/43/1044759543.db2.gz NVTDRKJQOLKCJW-QHCPKHFHSA-N 1 3 395.591 3.937 20 0 GHADHO COc1cc(C[C@H](C)N[C@H]2CC[N@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC001258863245 1044803794 /nfs/dbraw/zinc/80/37/94/1044803794.db2.gz ZFRVYSJKJMUHPJ-PXNSSMCTSA-N 1 3 390.568 3.888 20 0 GHADHO COc1cc(C[C@H](C)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC001258863245 1044803809 /nfs/dbraw/zinc/80/38/09/1044803809.db2.gz ZFRVYSJKJMUHPJ-PXNSSMCTSA-N 1 3 390.568 3.888 20 0 GHADHO O[C@@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716833 1047116744 /nfs/dbraw/zinc/11/67/44/1047116744.db2.gz CXXZTDIWINTJEK-CTNGQTDRSA-N 1 3 388.939 3.582 20 0 GHADHO O[C@@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716833 1047116758 /nfs/dbraw/zinc/11/67/58/1047116758.db2.gz CXXZTDIWINTJEK-CTNGQTDRSA-N 1 3 388.939 3.582 20 0 GHADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccc(OC(F)F)c(OC(F)F)c1)CC2 ZINC001279116655 1047724086 /nfs/dbraw/zinc/72/40/86/1047724086.db2.gz NMOGVPKVSRLCLH-UHFFFAOYSA-N 1 3 376.394 3.807 20 0 GHADHO C[N@H+]1CCC2(C1)CCN(Cc1ccc(OC(F)F)c(OC(F)F)c1)CC2 ZINC001279116655 1047724088 /nfs/dbraw/zinc/72/40/88/1047724088.db2.gz NMOGVPKVSRLCLH-UHFFFAOYSA-N 1 3 376.394 3.807 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001287926202 1048949157 /nfs/dbraw/zinc/94/91/57/1048949157.db2.gz XVKPQQDMJWIPMJ-BJKOFHAPSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001287926202 1048949164 /nfs/dbraw/zinc/94/91/64/1048949164.db2.gz XVKPQQDMJWIPMJ-BJKOFHAPSA-N 1 3 391.559 3.679 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(CC(F)(F)F)cc3)cc2)CC1 ZINC001308199937 1049910396 /nfs/dbraw/zinc/91/03/96/1049910396.db2.gz GKRGTJRFZYTTAO-UHFFFAOYSA-N 1 3 391.481 3.829 20 0 GHADHO Cc1cc(C)c(/C=C/CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1C ZINC001308747909 1050080553 /nfs/dbraw/zinc/08/05/53/1050080553.db2.gz JOOVAIOYPXWDFO-SOFGYWHQSA-N 1 3 397.607 3.939 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001313248489 1052996094 /nfs/dbraw/zinc/99/60/94/1052996094.db2.gz XMZQMRYRBCHXME-UHFFFAOYSA-N 1 3 388.600 3.803 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001313248489 1052996096 /nfs/dbraw/zinc/99/60/96/1052996096.db2.gz XMZQMRYRBCHXME-UHFFFAOYSA-N 1 3 388.600 3.803 20 0 GHADHO C[C@H](NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC001319193151 1055090689 /nfs/dbraw/zinc/09/06/89/1055090689.db2.gz WFCMVODRTRUARY-KRWDZBQOSA-N 1 3 381.520 3.826 20 0 GHADHO C[C@H](NCc1ccc(NC(=O)C2CC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC001319750372 1055443107 /nfs/dbraw/zinc/44/31/07/1055443107.db2.gz CNVAQPVENAJSHO-KRWDZBQOSA-N 1 3 381.520 3.826 20 0 GHADHO COc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)c(C)c1OC ZINC001321857478 1056421803 /nfs/dbraw/zinc/42/18/03/1056421803.db2.gz OCTVIFGVNLSZBU-IBGZPJMESA-N 1 3 397.563 3.610 20 0 GHADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001322075656 1056505956 /nfs/dbraw/zinc/50/59/56/1056505956.db2.gz WGRGRTQBKXBHAV-PKTZIBPZSA-N 1 3 383.580 3.684 20 0 GHADHO CC[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)Oc1ccccc1F ZINC000849096639 1057592585 /nfs/dbraw/zinc/59/25/85/1057592585.db2.gz CNUCQSRLPCGGPB-HXUWFJFHSA-N 1 3 398.526 3.762 20 0 GHADHO Cc1ccc(CN2CCCN(C(=O)c3ccc(C[NH+]4CCCC4)o3)CC2)cc1 ZINC001440862875 1058637321 /nfs/dbraw/zinc/63/73/21/1058637321.db2.gz GWLAIBWZOOZVBG-UHFFFAOYSA-N 1 3 381.520 3.532 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(-c4coc(C)n4)cc3)CC2)CC1 ZINC000847314943 1065040804 /nfs/dbraw/zinc/04/08/04/1065040804.db2.gz BGTYXMKBHRADIG-UHFFFAOYSA-N 1 3 396.535 3.785 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC001465574078 1065723875 /nfs/dbraw/zinc/72/38/75/1065723875.db2.gz ZMYXEMJKOFCWFX-INIZCTEOSA-N 1 3 391.947 3.524 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC001465574078 1065723887 /nfs/dbraw/zinc/72/38/87/1065723887.db2.gz ZMYXEMJKOFCWFX-INIZCTEOSA-N 1 3 391.947 3.524 20 0 GHADHO CN1CCC(N(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2)CC1 ZINC001357398963 1067082438 /nfs/dbraw/zinc/08/24/38/1067082438.db2.gz LQMHFXQEBXBMMJ-OAQYLSRUSA-N 1 3 377.532 3.636 20 0 GHADHO CN1CCC(N(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)CC1 ZINC001357398963 1067082456 /nfs/dbraw/zinc/08/24/56/1067082456.db2.gz LQMHFXQEBXBMMJ-OAQYLSRUSA-N 1 3 377.532 3.636 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC001477608500 1078489955 /nfs/dbraw/zinc/48/99/55/1078489955.db2.gz DNHVRFTVCRHZFQ-JWEZTNTCSA-N 1 3 392.632 3.649 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC001477608500 1078489958 /nfs/dbraw/zinc/48/99/58/1078489958.db2.gz DNHVRFTVCRHZFQ-JWEZTNTCSA-N 1 3 392.632 3.649 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[NH+](C(C)(C)CC)CC1)c1ccsc1 ZINC001467666476 1067407004 /nfs/dbraw/zinc/40/70/04/1067407004.db2.gz JAPJQWZGNDJNDD-SFHVURJKSA-N 1 3 380.602 3.647 20 0 GHADHO CC1([NH+]2CCC2)CCC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC001468023948 1067570410 /nfs/dbraw/zinc/57/04/10/1067570410.db2.gz OVJKRKKVNKNVAY-WBTXTPOCSA-N 1 3 390.597 3.591 20 0 GHADHO CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001468028629 1067572451 /nfs/dbraw/zinc/57/24/51/1067572451.db2.gz ZYZLNCZLLDHUCT-UHFFFAOYSA-N 1 3 398.595 3.701 20 0 GHADHO [NH2+]=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)Nc1cccc2c1CCCC2 ZINC000849103942 1067729215 /nfs/dbraw/zinc/72/92/15/1067729215.db2.gz HAWGOLDCVDUSTQ-OAQYLSRUSA-N 1 3 392.547 3.793 20 0 GHADHO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC001468871462 1067913996 /nfs/dbraw/zinc/91/39/96/1067913996.db2.gz DFAJOJDXSBAPTR-HSZRJFAPSA-N 1 3 398.595 3.874 20 0 GHADHO COc1ccccc1N1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000588880 1068204809 /nfs/dbraw/zinc/20/48/09/1068204809.db2.gz YVTDLWCXPIPYQM-UHFFFAOYSA-N 1 3 379.548 3.729 20 0 GHADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460627045 1069039994 /nfs/dbraw/zinc/03/99/94/1069039994.db2.gz NMCVKXSKHVPKGY-FQEVSTJZSA-N 1 3 379.589 3.830 20 0 GHADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460627045 1069040013 /nfs/dbraw/zinc/04/00/13/1069040013.db2.gz NMCVKXSKHVPKGY-FQEVSTJZSA-N 1 3 379.589 3.830 20 0 GHADHO CN(C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001478538955 1078910334 /nfs/dbraw/zinc/91/03/34/1078910334.db2.gz WDBRNMLFNOKOJT-QFIPXVFZSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001478538955 1078910336 /nfs/dbraw/zinc/91/03/36/1078910336.db2.gz WDBRNMLFNOKOJT-QFIPXVFZSA-N 1 3 386.584 3.557 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001478590798 1078928190 /nfs/dbraw/zinc/92/81/90/1078928190.db2.gz JRWLRUMDDBDQAD-OIBXWCBGSA-N 1 3 398.595 3.870 20 0 GHADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001478590798 1078928195 /nfs/dbraw/zinc/92/81/95/1078928195.db2.gz JRWLRUMDDBDQAD-OIBXWCBGSA-N 1 3 398.595 3.870 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC001470653959 1072672744 /nfs/dbraw/zinc/67/27/44/1072672744.db2.gz PLPCABNANFOMJO-XABBQPORSA-N 1 3 390.616 3.545 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC001470653959 1072672748 /nfs/dbraw/zinc/67/27/48/1072672748.db2.gz PLPCABNANFOMJO-XABBQPORSA-N 1 3 390.616 3.545 20 0 GHADHO Brc1ccc2nc(CNC3CCN(c4cc[nH+]cc4)CC3)oc2c1 ZINC001474548246 1074459169 /nfs/dbraw/zinc/45/91/69/1074459169.db2.gz YTWQWUDFZQKIAL-UHFFFAOYSA-N 1 3 387.281 3.744 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001474646314 1074497674 /nfs/dbraw/zinc/49/76/74/1074497674.db2.gz YGFSBPAHTFDQTQ-GBESFXJTSA-N 1 3 377.573 3.534 20 0 GHADHO C[C@@H](NC(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001546208494 1075069161 /nfs/dbraw/zinc/06/91/61/1075069161.db2.gz PQGZXONOGLYSBJ-WIYYLYMNSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@@H](NC(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001546208494 1075069165 /nfs/dbraw/zinc/06/91/65/1075069165.db2.gz PQGZXONOGLYSBJ-WIYYLYMNSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000647551241 837518445 /nfs/dbraw/zinc/51/84/45/837518445.db2.gz BYWJRBYIDGWXFK-ADSMDIBLSA-N 1 3 391.313 3.538 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275592471 837680143 /nfs/dbraw/zinc/68/01/43/837680143.db2.gz FSKMHKVFMMJXKW-FQEVSTJZSA-N 1 3 394.563 3.919 20 0 GHADHO C[NH+]1CCC2(CCCN2CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000472610825 837709139 /nfs/dbraw/zinc/70/91/39/837709139.db2.gz MMBUMVTZALSQCH-UHFFFAOYSA-N 1 3 377.326 3.785 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423381878 837724839 /nfs/dbraw/zinc/72/48/39/837724839.db2.gz ZZJQDKFBOYJISW-KGYLQXTDSA-N 1 3 377.838 3.935 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3OC(C)(C)C)CC2)CC1 ZINC000654799650 834576240 /nfs/dbraw/zinc/57/62/40/834576240.db2.gz TZDVHIIVHBSDRO-UHFFFAOYSA-N 1 3 387.568 3.999 20 0 GHADHO C[C@H](C(=O)N(C)c1ccccc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820957 834689063 /nfs/dbraw/zinc/68/90/63/834689063.db2.gz IAGSCGDRHYPOSA-LJQANCHMSA-N 1 3 380.536 3.671 20 0 GHADHO C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511255464 834717031 /nfs/dbraw/zinc/71/70/31/834717031.db2.gz YJLHQGDHZBAKMU-TZIWHRDSSA-N 1 3 390.616 3.547 20 0 GHADHO C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511255464 834717041 /nfs/dbraw/zinc/71/70/41/834717041.db2.gz YJLHQGDHZBAKMU-TZIWHRDSSA-N 1 3 390.616 3.547 20 0 GHADHO c1ncn(-c2ccccc2CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000657772960 834720164 /nfs/dbraw/zinc/72/01/64/834720164.db2.gz OZQNXFYYHJWXML-JOCHJYFZSA-N 1 3 387.531 3.659 20 0 GHADHO c1ncn(-c2ccccc2CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000657772960 834720168 /nfs/dbraw/zinc/72/01/68/834720168.db2.gz OZQNXFYYHJWXML-JOCHJYFZSA-N 1 3 387.531 3.659 20 0 GHADHO c1ncn(-c2ccccc2C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)n1 ZINC000657772960 834720170 /nfs/dbraw/zinc/72/01/70/834720170.db2.gz OZQNXFYYHJWXML-JOCHJYFZSA-N 1 3 387.531 3.659 20 0 GHADHO C[C@H](NCc1cccc(CN2CCCC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000153918868 834745201 /nfs/dbraw/zinc/74/52/01/834745201.db2.gz BZLVOFOKRYELTE-IBGZPJMESA-N 1 3 395.547 3.600 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccccc4[C@@H]3C(C)C)CC2)CC1 ZINC000654914176 834782337 /nfs/dbraw/zinc/78/23/37/834782337.db2.gz AGQHMDVWAPHBKI-DEOSSOPVSA-N 1 3 397.607 3.965 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)Cc4ccccc43)CC2)CC1 ZINC000655104515 835151845 /nfs/dbraw/zinc/15/18/45/835151845.db2.gz IRDMMADKKLMRHD-UHFFFAOYSA-N 1 3 383.580 3.798 20 0 GHADHO CCOC1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000658024585 835376345 /nfs/dbraw/zinc/37/63/45/835376345.db2.gz ZGCJDNAVGBRODE-DDRJZQQSSA-N 1 3 386.580 3.853 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139951 835464611 /nfs/dbraw/zinc/46/46/11/835464611.db2.gz OWVYWJXEHSXPNA-WIYYLYMNSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139951 835464614 /nfs/dbraw/zinc/46/46/14/835464614.db2.gz OWVYWJXEHSXPNA-WIYYLYMNSA-N 1 3 386.923 3.910 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCN3C3CCOCC3)cc2)C1 ZINC000154561462 835760501 /nfs/dbraw/zinc/76/05/01/835760501.db2.gz RDVIJDSCQYPKPS-GCJKJVERSA-N 1 3 385.552 3.500 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCN3C3CCOCC3)cc2)C1 ZINC000154561462 835760511 /nfs/dbraw/zinc/76/05/11/835760511.db2.gz RDVIJDSCQYPKPS-GCJKJVERSA-N 1 3 385.552 3.500 20 0 GHADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000169139373 835858166 /nfs/dbraw/zinc/85/81/66/835858166.db2.gz XYIFDMAQYBOXJV-USXIJHARSA-N 1 3 385.474 3.578 20 0 GHADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000169139373 835858170 /nfs/dbraw/zinc/85/81/70/835858170.db2.gz XYIFDMAQYBOXJV-USXIJHARSA-N 1 3 385.474 3.578 20 0 GHADHO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483674 844153036 /nfs/dbraw/zinc/15/30/36/844153036.db2.gz IFANADGNQXZXAA-BVSLBCMMSA-N 1 3 399.604 3.622 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000414307408 837018017 /nfs/dbraw/zinc/01/80/17/837018017.db2.gz PFTRTTLKCXRPAP-QGZVFWFLSA-N 1 3 390.474 3.966 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(Cl)c1 ZINC000414335780 837205469 /nfs/dbraw/zinc/20/54/69/837205469.db2.gz YOIUAZLUKYBSQJ-MRXNPFEDSA-N 1 3 385.939 3.888 20 0 GHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1 ZINC000659032834 837319541 /nfs/dbraw/zinc/31/95/41/837319541.db2.gz HNQKXZWGBMIDJU-UWJYYQICSA-N 1 3 396.535 3.598 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)c1 ZINC000415906494 838261756 /nfs/dbraw/zinc/26/17/56/838261756.db2.gz LAIVLYPAAVVIIT-UHFFFAOYSA-N 1 3 395.551 3.890 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000415964552 838325582 /nfs/dbraw/zinc/32/55/82/838325582.db2.gz ZYFCOGSCMOQQSY-QGZVFWFLSA-N 1 3 381.524 3.538 20 0 GHADHO CCN(C(=O)Nc1ccc2c(c1)CNC2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000415997630 838386734 /nfs/dbraw/zinc/38/67/34/838386734.db2.gz QBSKTGKDTVOBEU-VGOFRKELSA-N 1 3 378.520 3.979 20 0 GHADHO CCN(C(=O)Nc1ccc2c(c1)CNC2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415997630 838386737 /nfs/dbraw/zinc/38/67/37/838386737.db2.gz QBSKTGKDTVOBEU-VGOFRKELSA-N 1 3 378.520 3.979 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000415101977 839207588 /nfs/dbraw/zinc/20/75/88/839207588.db2.gz BYKWIWJPYRUSAQ-SIKLNZKXSA-N 1 3 376.541 3.592 20 0 GHADHO [NH3+]C1(CNCc2ccccc2Br)CCN(Cc2ccccc2)CC1 ZINC000415134155 839250235 /nfs/dbraw/zinc/25/02/35/839250235.db2.gz NXZMQVGOQSPMOE-UHFFFAOYSA-N 1 3 388.353 3.532 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415131104 839257727 /nfs/dbraw/zinc/25/77/27/839257727.db2.gz YNWJCUOFLPYZDB-UNMCSNQZSA-N 1 3 390.568 3.983 20 0 GHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000471579818 839592777 /nfs/dbraw/zinc/59/27/77/839592777.db2.gz CHZVWPFWCJNQSB-VQTJNVASSA-N 1 3 399.579 3.799 20 0 GHADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000471579817 839592967 /nfs/dbraw/zinc/59/29/67/839592967.db2.gz CHZVWPFWCJNQSB-UXHICEINSA-N 1 3 399.579 3.799 20 0 GHADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)Nc1ccc2c(c1)CNC2 ZINC000580531072 839750882 /nfs/dbraw/zinc/75/08/82/839750882.db2.gz SYHAXWKMGPNXAS-UHFFFAOYSA-N 1 3 378.520 3.988 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418459472 840270126 /nfs/dbraw/zinc/27/01/26/840270126.db2.gz IVKMCAYSHDNACM-UHFFFAOYSA-N 1 3 386.584 3.605 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829279 840299650 /nfs/dbraw/zinc/29/96/50/840299650.db2.gz HHYHSCDPLUNARE-GMAHTHKFSA-N 1 3 390.527 3.691 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829279 840299660 /nfs/dbraw/zinc/29/96/60/840299660.db2.gz HHYHSCDPLUNARE-GMAHTHKFSA-N 1 3 390.527 3.691 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)N2CCCC2)cc1 ZINC000417352875 840758569 /nfs/dbraw/zinc/75/85/69/840758569.db2.gz HKNARFATIJDVDQ-YADHBBJMSA-N 1 3 398.595 3.552 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000549542426 841605194 /nfs/dbraw/zinc/60/51/94/841605194.db2.gz FXAPCDQYQIMMJY-FXAWDEMLSA-N 1 3 394.991 3.610 20 0 GHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000549542426 841605203 /nfs/dbraw/zinc/60/52/03/841605203.db2.gz FXAPCDQYQIMMJY-FXAWDEMLSA-N 1 3 394.991 3.610 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccccc4)C3(C)C)CC2)CC1 ZINC000581558424 841664406 /nfs/dbraw/zinc/66/44/06/841664406.db2.gz PQMZZCNDKONOML-HSZRJFAPSA-N 1 3 397.607 3.977 20 0 GHADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000661411626 841719863 /nfs/dbraw/zinc/71/98/63/841719863.db2.gz ZNAFIFLORBXDKB-NRFANRHFSA-N 1 3 398.595 3.557 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000581655769 841918263 /nfs/dbraw/zinc/91/82/63/841918263.db2.gz XZSYNIWYGCYZGZ-JOCHJYFZSA-N 1 3 396.535 3.544 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290434 843081700 /nfs/dbraw/zinc/08/17/00/843081700.db2.gz CSNHTQOSQNTWLM-FCEWJHQRSA-N 1 3 377.960 3.617 20 0 GHADHO COc1ccc([C@H](C)CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1 ZINC001167881570 843202666 /nfs/dbraw/zinc/20/26/66/843202666.db2.gz OKUAJUFWSCEQRM-HXUWFJFHSA-N 1 3 397.563 3.561 20 0 GHADHO CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H]3NCc4ccccc43)c2)CC1 ZINC000662436036 843239111 /nfs/dbraw/zinc/23/91/11/843239111.db2.gz LUIGVMDBXZDZSY-HSZRJFAPSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)CC[N@@H+]1Cc1ccccc1 ZINC000662467452 843295583 /nfs/dbraw/zinc/29/55/83/843295583.db2.gz BBQRUFKTQWRYRI-LPHOPBHVSA-N 1 3 383.561 3.519 20 0 GHADHO C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)CC[N@H+]1Cc1ccccc1 ZINC000662467452 843295592 /nfs/dbraw/zinc/29/55/92/843295592.db2.gz BBQRUFKTQWRYRI-LPHOPBHVSA-N 1 3 383.561 3.519 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000662488202 843328346 /nfs/dbraw/zinc/32/83/46/843328346.db2.gz RIVRHYLHMWWWSI-HSZRJFAPSA-N 1 3 395.572 3.522 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000662488202 843328358 /nfs/dbraw/zinc/32/83/58/843328358.db2.gz RIVRHYLHMWWWSI-HSZRJFAPSA-N 1 3 395.572 3.522 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662503688 843349762 /nfs/dbraw/zinc/34/97/62/843349762.db2.gz VPSCETPHEYKMIR-ICSRJNTNSA-N 1 3 395.572 3.521 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503688 843349773 /nfs/dbraw/zinc/34/97/73/843349773.db2.gz VPSCETPHEYKMIR-ICSRJNTNSA-N 1 3 395.572 3.521 20 0 GHADHO C[C@@H](CCc1ccccc1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512411304 843722339 /nfs/dbraw/zinc/72/23/39/843722339.db2.gz XJOSNPWCIQGVTA-DHLKQENFSA-N 1 3 377.576 3.900 20 0 GHADHO C[C@@H](CCc1ccccc1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512411304 843722350 /nfs/dbraw/zinc/72/23/50/843722350.db2.gz XJOSNPWCIQGVTA-DHLKQENFSA-N 1 3 377.576 3.900 20 0 GHADHO CN(CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512635145 844844226 /nfs/dbraw/zinc/84/42/26/844844226.db2.gz GCJRVEVZKZGWOR-XUVXKRRUSA-N 1 3 383.502 3.761 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)N1CCCCCC1 ZINC000512666130 844960847 /nfs/dbraw/zinc/96/08/47/844960847.db2.gz IZNJOYWLMDZGKV-XPWALMASSA-N 1 3 383.580 3.669 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512666823 844967933 /nfs/dbraw/zinc/96/79/33/844967933.db2.gz MPLBTFLZZDWKOA-OJJQZRKESA-N 1 3 378.560 3.728 20 0 GHADHO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000512669329 844977827 /nfs/dbraw/zinc/97/78/27/844977827.db2.gz ZNFSMMQXQRXJMC-OYTPZHDJSA-N 1 3 397.607 3.960 20 0 GHADHO CN(C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CCCCC1 ZINC000433059628 845125552 /nfs/dbraw/zinc/12/55/52/845125552.db2.gz UQOSVTYQGYCGGF-UHFFFAOYSA-N 1 3 383.580 3.766 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Br)cn1 ZINC000179396020 861563174 /nfs/dbraw/zinc/56/31/74/861563174.db2.gz FGGCSDZMOPTFPM-UHFFFAOYSA-N 1 3 389.341 3.978 20 0 GHADHO CCC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1cccc(C(F)(F)F)c1 ZINC000411462659 845471233 /nfs/dbraw/zinc/47/12/33/845471233.db2.gz YOZPGQBWWRBVAW-SFHVURJKSA-N 1 3 385.474 3.737 20 0 GHADHO C[C@H](CCNC(=O)c1cccc(CN2CCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000472067778 845685319 /nfs/dbraw/zinc/68/53/19/845685319.db2.gz KUOYZLARCOZWTQ-HXUWFJFHSA-N 1 3 379.548 3.923 20 0 GHADHO C[C@H](CCNC(=O)c1cccc(CN2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472067778 845685325 /nfs/dbraw/zinc/68/53/25/845685325.db2.gz KUOYZLARCOZWTQ-HXUWFJFHSA-N 1 3 379.548 3.923 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000421369852 846182463 /nfs/dbraw/zinc/18/24/63/846182463.db2.gz IAVDARGUUMBLIF-UHFFFAOYSA-N 1 3 385.474 3.577 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000421369852 846182467 /nfs/dbraw/zinc/18/24/67/846182467.db2.gz IAVDARGUUMBLIF-UHFFFAOYSA-N 1 3 385.474 3.577 20 0 GHADHO OCCOc1ccc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513655046 846197160 /nfs/dbraw/zinc/19/71/60/846197160.db2.gz KRZVFTXDCYGPSA-PZUNEJSGSA-N 1 3 394.559 3.838 20 0 GHADHO OCCOc1ccc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513655046 846197166 /nfs/dbraw/zinc/19/71/66/846197166.db2.gz KRZVFTXDCYGPSA-PZUNEJSGSA-N 1 3 394.559 3.838 20 0 GHADHO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064416 846595701 /nfs/dbraw/zinc/59/57/01/846595701.db2.gz WTBBWTJPITXROS-MOPGFXCFSA-N 1 3 392.547 3.596 20 0 GHADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000503080365 846783975 /nfs/dbraw/zinc/78/39/75/846783975.db2.gz FFWYHBSOOMZYIB-LJQANCHMSA-N 1 3 386.584 3.687 20 0 GHADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000503080365 846783982 /nfs/dbraw/zinc/78/39/82/846783982.db2.gz FFWYHBSOOMZYIB-LJQANCHMSA-N 1 3 386.584 3.687 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2cc(C(F)(F)F)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000657415237 847085586 /nfs/dbraw/zinc/08/55/86/847085586.db2.gz GVKOURCEMPRGQG-DOTOQJQBSA-N 1 3 380.458 3.829 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2cc(C(F)(F)F)nn2C)C[N@H+]1Cc1ccccc1 ZINC000657415237 847085593 /nfs/dbraw/zinc/08/55/93/847085593.db2.gz GVKOURCEMPRGQG-DOTOQJQBSA-N 1 3 380.458 3.829 20 0 GHADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1SC ZINC000272740608 847160149 /nfs/dbraw/zinc/16/01/49/847160149.db2.gz KWKPTCDQNADHJB-JXFKEZNVSA-N 1 3 386.561 3.835 20 0 GHADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1SC ZINC000272740608 847160156 /nfs/dbraw/zinc/16/01/56/847160156.db2.gz KWKPTCDQNADHJB-JXFKEZNVSA-N 1 3 386.561 3.835 20 0 GHADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC(c1ccccc1)c1ccccc1 ZINC000420407886 847171515 /nfs/dbraw/zinc/17/15/15/847171515.db2.gz VSQSACWPLSPGFY-XZOQPEGZSA-N 1 3 391.559 3.746 20 0 GHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511124372 847219724 /nfs/dbraw/zinc/21/97/24/847219724.db2.gz SQCARNSNEWHAKZ-DNQXCXABSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511124372 847219736 /nfs/dbraw/zinc/21/97/36/847219736.db2.gz SQCARNSNEWHAKZ-DNQXCXABSA-N 1 3 391.559 3.679 20 0 GHADHO CC(C)N1CCN(CCC[N@H+](CCc2ccccc2)Cc2cccnc2)CC1 ZINC000501900653 847308034 /nfs/dbraw/zinc/30/80/34/847308034.db2.gz QSGCOEZTVIAEJO-UHFFFAOYSA-N 1 3 380.580 3.542 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+](CCc2ccccc2)Cc2cccnc2)CC1 ZINC000501900653 847308039 /nfs/dbraw/zinc/30/80/39/847308039.db2.gz QSGCOEZTVIAEJO-UHFFFAOYSA-N 1 3 380.580 3.542 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675680 847314295 /nfs/dbraw/zinc/31/42/95/847314295.db2.gz CKAJTIXOYUVFDH-XLIONFOSSA-N 1 3 394.991 3.752 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675680 847314305 /nfs/dbraw/zinc/31/43/05/847314305.db2.gz CKAJTIXOYUVFDH-XLIONFOSSA-N 1 3 394.991 3.752 20 0 GHADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016314 847639245 /nfs/dbraw/zinc/63/92/45/847639245.db2.gz UQOIGCZPJZMABF-IBGZPJMESA-N 1 3 397.567 3.598 20 0 GHADHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016314 847639251 /nfs/dbraw/zinc/63/92/51/847639251.db2.gz UQOIGCZPJZMABF-IBGZPJMESA-N 1 3 397.567 3.598 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)N1CCCCC1 ZINC000422712493 847780802 /nfs/dbraw/zinc/78/08/02/847780802.db2.gz OIHJDIVYLSBLEB-VGSWGCGISA-N 1 3 382.552 3.735 20 0 GHADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000422893130 847887355 /nfs/dbraw/zinc/88/73/55/847887355.db2.gz OXWPCIRVPCKIHW-IUODEOHRSA-N 1 3 398.370 3.977 20 0 GHADHO C[C@@H](NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422944980 847908372 /nfs/dbraw/zinc/90/83/72/847908372.db2.gz MMIRPXUHRABYGN-MRXNPFEDSA-N 1 3 380.923 3.933 20 0 GHADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2nc(-c3ccccc3)cs2)CC[NH2+]CC1 ZINC000422957560 847915588 /nfs/dbraw/zinc/91/55/88/847915588.db2.gz NKSRGFHPXLVVSI-CVEARBPZSA-N 1 3 387.549 3.782 20 0 GHADHO c1ccc([C@H](C[C@@H]2CCOC2)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423007910 847934898 /nfs/dbraw/zinc/93/48/98/847934898.db2.gz ZBRZIFALEGJAJF-GDXZIDHASA-N 1 3 378.516 4.000 20 0 GHADHO Cc1nn(-c2ccccc2F)cc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613755 848343742 /nfs/dbraw/zinc/34/37/42/848343742.db2.gz QWIKGHPHZPIXBG-UHFFFAOYSA-N 1 3 393.510 3.717 20 0 GHADHO CN(C)C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423104779 849754875 /nfs/dbraw/zinc/75/48/75/849754875.db2.gz MRCZMQMJRIRVNA-JAXLGGSGSA-N 1 3 385.939 3.788 20 0 GHADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423183007 849775801 /nfs/dbraw/zinc/77/58/01/849775801.db2.gz MHBORDZYBDRAQZ-MOPGFXCFSA-N 1 3 380.374 3.663 20 0 GHADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000514564155 850010942 /nfs/dbraw/zinc/01/09/42/850010942.db2.gz AICRBDDMUNDGCJ-SFHVURJKSA-N 1 3 380.602 3.552 20 0 GHADHO C[C@@H]1C[C@@H](NCCNC(=O)CCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000424189069 850280862 /nfs/dbraw/zinc/28/08/62/850280862.db2.gz MTHPSURDLMWBIX-QPPBQGQZSA-N 1 3 393.575 3.768 20 0 GHADHO C[C@@H]1C[C@@H](NCCNC(=O)CCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000424189069 850280873 /nfs/dbraw/zinc/28/08/73/850280873.db2.gz MTHPSURDLMWBIX-QPPBQGQZSA-N 1 3 393.575 3.768 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000514817214 850343464 /nfs/dbraw/zinc/34/34/64/850343464.db2.gz AKNLONUXRLPXAX-XZDHIHRUSA-N 1 3 380.532 3.618 20 0 GHADHO C[C@@H]1CC2(CN1CC(=O)N1c3ccccc3CCc3ccccc31)CC[NH2+]CC2 ZINC000424283136 850353946 /nfs/dbraw/zinc/35/39/46/850353946.db2.gz AVBHCNCZCDEACS-LJQANCHMSA-N 1 3 389.543 3.914 20 0 GHADHO C[NH+]1CCC(CC(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)CC1 ZINC000487028429 850374926 /nfs/dbraw/zinc/37/49/26/850374926.db2.gz CTKPNFPGUHWOAX-OAQYLSRUSA-N 1 3 393.522 3.728 20 0 GHADHO FC(F)(F)c1ccn(-c2ccc(CNCCC[NH2+]Cc3cccnc3)cc2)n1 ZINC000414871878 850725296 /nfs/dbraw/zinc/72/52/96/850725296.db2.gz FDZXBEQFNBHYHX-UHFFFAOYSA-N 1 3 389.425 3.556 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414832422 850870470 /nfs/dbraw/zinc/87/04/70/850870470.db2.gz DMEIZYDVTJZNOR-GUYCJALGSA-N 1 3 382.346 3.663 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000519361842 850979889 /nfs/dbraw/zinc/97/98/89/850979889.db2.gz GWJMXAHLAVCHHM-PZJWPPBQSA-N 1 3 389.559 3.666 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000519361842 850979900 /nfs/dbraw/zinc/97/99/00/850979900.db2.gz GWJMXAHLAVCHHM-PZJWPPBQSA-N 1 3 389.559 3.666 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000519361840 850980227 /nfs/dbraw/zinc/98/02/27/850980227.db2.gz GWJMXAHLAVCHHM-FPOVZHCZSA-N 1 3 389.559 3.666 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000519361840 850980233 /nfs/dbraw/zinc/98/02/33/850980233.db2.gz GWJMXAHLAVCHHM-FPOVZHCZSA-N 1 3 389.559 3.666 20 0 GHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000519506472 851160354 /nfs/dbraw/zinc/16/03/54/851160354.db2.gz OIRBXZLIKBUNCX-UHFFFAOYSA-N 1 3 392.563 3.554 20 0 GHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000519506472 851160366 /nfs/dbraw/zinc/16/03/66/851160366.db2.gz OIRBXZLIKBUNCX-UHFFFAOYSA-N 1 3 392.563 3.554 20 0 GHADHO O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000488416726 851474518 /nfs/dbraw/zinc/47/45/18/851474518.db2.gz CJXUGHAALTYJIG-DEOSSOPVSA-N 1 3 394.559 3.901 20 0 GHADHO COCC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000425953066 852070678 /nfs/dbraw/zinc/07/06/78/852070678.db2.gz RBBYRQNSKILKBS-RJGXRXQPSA-N 1 3 386.580 3.710 20 0 GHADHO CCOc1cc(CNCc2cccc(C[NH+](C)C)c2)cc(Br)c1O ZINC000506344974 852804749 /nfs/dbraw/zinc/80/47/49/852804749.db2.gz GXPOQNBTOFGTSE-UHFFFAOYSA-N 1 3 393.325 3.905 20 0 GHADHO O=C(C1CCC1)N(CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000507497433 852958438 /nfs/dbraw/zinc/95/84/38/852958438.db2.gz RQPOLCIEHFZAPX-QPTUXGOLSA-N 1 3 395.591 3.668 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894332423 853015642 /nfs/dbraw/zinc/01/56/42/853015642.db2.gz PTFOGYVVYNFYQN-DLBZAZTESA-N 1 3 379.957 3.807 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167986448 853086774 /nfs/dbraw/zinc/08/67/74/853086774.db2.gz FHYDTOJCIBFYTH-SRDOODBNSA-N 1 3 389.584 3.725 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167986448 853086784 /nfs/dbraw/zinc/08/67/84/853086784.db2.gz FHYDTOJCIBFYTH-SRDOODBNSA-N 1 3 389.584 3.725 20 0 GHADHO CC[NH+]1CCC(N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000426288539 853342201 /nfs/dbraw/zinc/34/22/01/853342201.db2.gz JKJGCXQIYJCMRH-REWPJTCUSA-N 1 3 384.495 3.651 20 0 GHADHO C[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000491017257 853398302 /nfs/dbraw/zinc/39/83/02/853398302.db2.gz CRSWZQHEEOBEEF-RDPSFJRHSA-N 1 3 379.548 3.937 20 0 GHADHO C[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000491017257 853398311 /nfs/dbraw/zinc/39/83/11/853398311.db2.gz CRSWZQHEEOBEEF-RDPSFJRHSA-N 1 3 379.548 3.937 20 0 GHADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000491015988 853417599 /nfs/dbraw/zinc/41/75/99/853417599.db2.gz BDDOZWQHTKGCOC-CYFREDJKSA-N 1 3 382.548 3.975 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000519937729 853648453 /nfs/dbraw/zinc/64/84/53/853648453.db2.gz IZODHWDBEOCBOP-HSZRJFAPSA-N 1 3 394.563 3.775 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000519937729 853648461 /nfs/dbraw/zinc/64/84/61/853648461.db2.gz IZODHWDBEOCBOP-HSZRJFAPSA-N 1 3 394.563 3.775 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000604788933 862486661 /nfs/dbraw/zinc/48/66/61/862486661.db2.gz UKSBFLBPPWMJPQ-NRFANRHFSA-N 1 3 388.600 3.579 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000604788934 862486822 /nfs/dbraw/zinc/48/68/22/862486822.db2.gz UKSBFLBPPWMJPQ-OAQYLSRUSA-N 1 3 388.600 3.579 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)CN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167988926 853760732 /nfs/dbraw/zinc/76/07/32/853760732.db2.gz VKHJVVPZBXRPBM-JUJYPNOZSA-N 1 3 389.584 3.581 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)CN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167988926 853760742 /nfs/dbraw/zinc/76/07/42/853760742.db2.gz VKHJVVPZBXRPBM-JUJYPNOZSA-N 1 3 389.584 3.581 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@@H]3O)CC1)CCCS2 ZINC000188243739 853857316 /nfs/dbraw/zinc/85/73/16/853857316.db2.gz ZXMSZUIJKBWRSN-HKBOAZHASA-N 1 3 390.593 3.980 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc2c(cccc2Cl)c1C ZINC000505818111 862553625 /nfs/dbraw/zinc/55/36/25/862553625.db2.gz MIWQNLIEASTEIL-INIZCTEOSA-N 1 3 391.943 3.883 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016610 854334889 /nfs/dbraw/zinc/33/48/89/854334889.db2.gz ZVLMCLDFFKAKHB-CEXWTWQISA-N 1 3 378.520 3.794 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016610 854334902 /nfs/dbraw/zinc/33/49/02/854334902.db2.gz ZVLMCLDFFKAKHB-CEXWTWQISA-N 1 3 378.520 3.794 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016610 854334906 /nfs/dbraw/zinc/33/49/06/854334906.db2.gz ZVLMCLDFFKAKHB-CEXWTWQISA-N 1 3 378.520 3.794 20 0 GHADHO O=C1C[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993997 854427640 /nfs/dbraw/zinc/42/76/40/854427640.db2.gz VTJSCWZHLZWHFS-OTTNMNEJSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993997 854427643 /nfs/dbraw/zinc/42/76/43/854427643.db2.gz VTJSCWZHLZWHFS-OTTNMNEJSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993997 854427646 /nfs/dbraw/zinc/42/76/46/854427646.db2.gz VTJSCWZHLZWHFS-OTTNMNEJSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993997 854427648 /nfs/dbraw/zinc/42/76/48/854427648.db2.gz VTJSCWZHLZWHFS-OTTNMNEJSA-N 1 3 397.538 3.660 20 0 GHADHO Cc1nn(C)c2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cc12 ZINC000111391202 854747668 /nfs/dbraw/zinc/74/76/68/854747668.db2.gz WRFICSSLEIKNHM-SEJPIABJSA-N 1 3 375.520 3.562 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000482009979 862605663 /nfs/dbraw/zinc/60/56/63/862605663.db2.gz QNVYKIKSIYZIBF-UGKGYDQZSA-N 1 3 385.552 3.919 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000482009979 862605671 /nfs/dbraw/zinc/60/56/71/862605671.db2.gz QNVYKIKSIYZIBF-UGKGYDQZSA-N 1 3 385.552 3.919 20 0 GHADHO COc1ccc([C@H]2C[C@H]([NH2+]CC3CCN(Cc4ccccn4)CC3)CCO2)cc1 ZINC001168617622 855073136 /nfs/dbraw/zinc/07/31/36/855073136.db2.gz VCLVNGGPGRMSSN-ZJSXRUAMSA-N 1 3 395.547 3.812 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)CC1 ZINC000542691014 855456117 /nfs/dbraw/zinc/45/61/17/855456117.db2.gz NTRUDZLPNHOVLG-UHFFFAOYSA-N 1 3 378.564 3.598 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)CC2)CC1 ZINC000542694625 855465036 /nfs/dbraw/zinc/46/50/36/855465036.db2.gz ZEZUGXVQVUQSEC-UHFFFAOYSA-N 1 3 385.596 3.640 20 0 GHADHO CC1(C)[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC[C@@]12c1ccccc1OC2=O ZINC001168001787 855506682 /nfs/dbraw/zinc/50/66/82/855506682.db2.gz HRYZDLNLIOSPRH-PZLRFAAKSA-N 1 3 380.532 3.733 20 0 GHADHO CC1(C)[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC[C@@]12c1ccccc1OC2=O ZINC001168001787 855506690 /nfs/dbraw/zinc/50/66/90/855506690.db2.gz HRYZDLNLIOSPRH-PZLRFAAKSA-N 1 3 380.532 3.733 20 0 GHADHO CC1(C)N(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@]12c1ccccc1OC2=O ZINC001168001787 855506695 /nfs/dbraw/zinc/50/66/95/855506695.db2.gz HRYZDLNLIOSPRH-PZLRFAAKSA-N 1 3 380.532 3.733 20 0 GHADHO CC1(C)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@]12c1ccccc1OC2=O ZINC001168001787 855506703 /nfs/dbraw/zinc/50/67/03/855506703.db2.gz HRYZDLNLIOSPRH-PZLRFAAKSA-N 1 3 380.532 3.733 20 0 GHADHO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCCN3CCCC3)cc1)CCC2 ZINC000180975663 862698375 /nfs/dbraw/zinc/69/83/75/862698375.db2.gz UBDQMNYLNFQHJM-DEOSSOPVSA-N 1 3 391.559 3.988 20 0 GHADHO Cn1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)c(-c2ccccc2)n1 ZINC000093067040 855945560 /nfs/dbraw/zinc/94/55/60/855945560.db2.gz NJXJYPJKCOHGCR-UHFFFAOYSA-N 1 3 378.520 3.707 20 0 GHADHO C[C@@H](CNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001168007896 856157350 /nfs/dbraw/zinc/15/73/50/856157350.db2.gz VHSZXXUNFXHFFI-RCCFBDPRSA-N 1 3 375.557 3.931 20 0 GHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000110437519 856548747 /nfs/dbraw/zinc/54/87/47/856548747.db2.gz VLUJRCKOFKVGJT-HOTGVXAUSA-N 1 3 386.458 3.906 20 0 GHADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000110437519 856548760 /nfs/dbraw/zinc/54/87/60/856548760.db2.gz VLUJRCKOFKVGJT-HOTGVXAUSA-N 1 3 386.458 3.906 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C[C@H](C)O1 ZINC000062252900 856681479 /nfs/dbraw/zinc/68/14/79/856681479.db2.gz FVAVBGCBEVXAPS-HDICACEKSA-N 1 3 390.959 3.564 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141753 856795373 /nfs/dbraw/zinc/79/53/73/856795373.db2.gz UKYQAUQOGXOQBC-TZIWHRDSSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141753 856795380 /nfs/dbraw/zinc/79/53/80/856795380.db2.gz UKYQAUQOGXOQBC-TZIWHRDSSA-N 1 3 386.923 3.910 20 0 GHADHO c1cn2c(CNC3CC[NH+](C[C@H]4CCCO4)CC3)c(-c3ccccc3)nc2s1 ZINC000733333776 862874840 /nfs/dbraw/zinc/87/48/40/862874840.db2.gz VWXFKSWFFKWASD-LJQANCHMSA-N 1 3 396.560 3.796 20 0 GHADHO CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000703532903 857195846 /nfs/dbraw/zinc/19/58/46/857195846.db2.gz CKRYSBYKUPAECF-HXUWFJFHSA-N 1 3 387.568 3.793 20 0 GHADHO CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000658296134 857272821 /nfs/dbraw/zinc/27/28/21/857272821.db2.gz GNULUIXNSBNECL-MYGLTJDJSA-N 1 3 383.580 3.524 20 0 GHADHO CCc1ccc([C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)N(C)C)cc1 ZINC000060580338 857461852 /nfs/dbraw/zinc/46/18/52/857461852.db2.gz LVGQEASWTYDNJY-QHCPKHFHSA-N 1 3 379.548 3.878 20 0 GHADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483907 857500512 /nfs/dbraw/zinc/50/05/12/857500512.db2.gz SCOUGZJYGPLPIV-FGZHOGPDSA-N 1 3 398.595 3.633 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)N(C)C)cc1 ZINC000593500713 857613931 /nfs/dbraw/zinc/61/39/31/857613931.db2.gz KNEQEABANTWIJJ-JOCHJYFZSA-N 1 3 398.551 3.750 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)[NH+]2CCCC2)cc1 ZINC000064237586 857687714 /nfs/dbraw/zinc/68/77/14/857687714.db2.gz RPZDLHLDMFGVED-GOTSBHOMSA-N 1 3 394.563 3.734 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451820 857890617 /nfs/dbraw/zinc/89/06/17/857890617.db2.gz OOBLVSSFHSOWIB-FKBYEOEOSA-N 1 3 394.563 3.910 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451820 857890625 /nfs/dbraw/zinc/89/06/25/857890625.db2.gz OOBLVSSFHSOWIB-FKBYEOEOSA-N 1 3 394.563 3.910 20 0 GHADHO COCCC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC000442719635 858089774 /nfs/dbraw/zinc/08/97/74/858089774.db2.gz RQZMWSOGPMTDOG-XMMPIXPASA-N 1 3 399.554 3.831 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)c3ccc(C[NH+](CC)CC)cc3)cc2)CC1 ZINC000046673458 858319907 /nfs/dbraw/zinc/31/99/07/858319907.db2.gz OAIILNUMBGNSHM-UHFFFAOYSA-N 1 3 394.563 3.923 20 0 GHADHO CC[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC)cc1 ZINC000181804175 863021513 /nfs/dbraw/zinc/02/15/13/863021513.db2.gz AAJVBYOCHFXLQD-QHCPKHFHSA-N 1 3 395.547 3.648 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000079554705 858571329 /nfs/dbraw/zinc/57/13/29/858571329.db2.gz RXWKYMPAAIZNHI-JOCHJYFZSA-N 1 3 386.584 3.585 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000079554705 858571338 /nfs/dbraw/zinc/57/13/38/858571338.db2.gz RXWKYMPAAIZNHI-JOCHJYFZSA-N 1 3 386.584 3.585 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)c1ccco1 ZINC000575085419 858577898 /nfs/dbraw/zinc/57/78/98/858577898.db2.gz MFYAJPJHUKNVPK-CRAIPNDOSA-N 1 3 383.492 3.947 20 0 GHADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000183352665 858725500 /nfs/dbraw/zinc/72/55/00/858725500.db2.gz LLGPBSCCISGTSD-VWLOTQADSA-N 1 3 395.591 3.998 20 0 GHADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccccc1C[N@H+](C)C(C)C ZINC000183352665 858725509 /nfs/dbraw/zinc/72/55/09/858725509.db2.gz LLGPBSCCISGTSD-VWLOTQADSA-N 1 3 395.591 3.998 20 0 GHADHO c1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146497 858936481 /nfs/dbraw/zinc/93/64/81/858936481.db2.gz IIWBCAQNNJWBPE-RPBOFIJWSA-N 1 3 392.543 3.952 20 0 GHADHO c1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146497 858936484 /nfs/dbraw/zinc/93/64/84/858936484.db2.gz IIWBCAQNNJWBPE-RPBOFIJWSA-N 1 3 392.543 3.952 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000668157062 858954147 /nfs/dbraw/zinc/95/41/47/858954147.db2.gz GMNPUURWWABIPN-UHFFFAOYSA-N 1 3 384.568 3.536 20 0 GHADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000522338332 859077928 /nfs/dbraw/zinc/07/79/28/859077928.db2.gz LUEBZEGGZBUUJQ-OALUTQOASA-N 1 3 392.613 3.551 20 0 GHADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000522338332 859077937 /nfs/dbraw/zinc/07/79/37/859077937.db2.gz LUEBZEGGZBUUJQ-OALUTQOASA-N 1 3 392.613 3.551 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc4c(c2)COC42CNC2)C3)cc1 ZINC001170336909 881383254 /nfs/dbraw/zinc/38/32/54/881383254.db2.gz HHUYKRCDPFKDPH-DKUWSORSSA-N 1 3 375.516 3.623 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc4c(c2)COC42CNC2)C3)cc1 ZINC001170336909 881383275 /nfs/dbraw/zinc/38/32/75/881383275.db2.gz HHUYKRCDPFKDPH-DKUWSORSSA-N 1 3 375.516 3.623 20 0 GHADHO C[C@@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185738145 859123347 /nfs/dbraw/zinc/12/33/47/859123347.db2.gz WGXDEZLZLDBSLE-TZIWHRDSSA-N 1 3 396.583 3.753 20 0 GHADHO Cc1sc([C@@H](C)NC[C@H]2CC3(C[NH2+]C3)CO2)nc1-c1ccc(Cl)cc1 ZINC000923376914 859261346 /nfs/dbraw/zinc/26/13/46/859261346.db2.gz GNAUTQSNPDHJQT-MLGOLLRUSA-N 1 3 377.941 3.801 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000543394040 859542346 /nfs/dbraw/zinc/54/23/46/859542346.db2.gz MZBVSGKOBMZABE-CVEARBPZSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000543394040 859542355 /nfs/dbraw/zinc/54/23/55/859542355.db2.gz MZBVSGKOBMZABE-CVEARBPZSA-N 1 3 381.948 3.920 20 0 GHADHO Cc1cc(C)c(CC(C(=O)Nc2cnn(CC[NH+](C)C)c2)C(F)(F)F)c(C)c1 ZINC000611115020 859611325 /nfs/dbraw/zinc/61/13/25/859611325.db2.gz KNSYRRHEVMLTAZ-SFHVURJKSA-N 1 3 396.457 3.730 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](CCCSCc3ccccc3)CC2)CC1 ZINC000611185602 859641065 /nfs/dbraw/zinc/64/10/65/859641065.db2.gz AEOJINMNCDNOFK-UHFFFAOYSA-N 1 3 375.626 3.800 20 0 GHADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000765011882 859727014 /nfs/dbraw/zinc/72/70/14/859727014.db2.gz USDAXUHWZBJSFR-DEOSSOPVSA-N 1 3 393.575 4.000 20 0 GHADHO C[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(OCC[NH+](C)C)c1 ZINC000765033023 859741082 /nfs/dbraw/zinc/74/10/82/859741082.db2.gz GBKHUCUQUREZRW-IRXDYDNUSA-N 1 3 381.520 3.924 20 0 GHADHO CC(C)[C@H](C)N1Cc2ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc2C1 ZINC000727086644 859920176 /nfs/dbraw/zinc/92/01/76/859920176.db2.gz ORUGQKNGFCROOV-INIZCTEOSA-N 1 3 376.614 3.921 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369583 859931904 /nfs/dbraw/zinc/93/19/04/859931904.db2.gz HPMUDDAAKNNWEO-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369583 859931907 /nfs/dbraw/zinc/93/19/07/859931907.db2.gz HPMUDDAAKNNWEO-RDPSFJRHSA-N 1 3 391.559 3.923 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508927116 860060894 /nfs/dbraw/zinc/06/08/94/860060894.db2.gz XEVHADHQEVMRMP-XXBNENTESA-N 1 3 396.579 3.971 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000568605547 860233869 /nfs/dbraw/zinc/23/38/69/860233869.db2.gz QVHHEXAALQRIJG-TZIWHRDSSA-N 1 3 388.943 3.552 20 0 GHADHO CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603902 881578485 /nfs/dbraw/zinc/57/84/85/881578485.db2.gz GYCZEKDIPDVGDB-RPWUZVMVSA-N 1 3 397.563 3.633 20 0 GHADHO CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603902 881578493 /nfs/dbraw/zinc/57/84/93/881578493.db2.gz GYCZEKDIPDVGDB-RPWUZVMVSA-N 1 3 397.563 3.633 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CN(Cc4ccccc4)CC[C@H]3CO)CC2)C1 ZINC000532232690 881585328 /nfs/dbraw/zinc/58/53/28/881585328.db2.gz YCMLPXGOMGEUCL-BESOESOGSA-N 1 3 399.623 3.502 20 0 GHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182269027 863170094 /nfs/dbraw/zinc/17/00/94/863170094.db2.gz YAHADEGRSFLVOB-GMAHTHKFSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182269027 863170106 /nfs/dbraw/zinc/17/01/06/863170106.db2.gz YAHADEGRSFLVOB-GMAHTHKFSA-N 1 3 380.532 3.874 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000532269940 881641507 /nfs/dbraw/zinc/64/15/07/881641507.db2.gz IJQKNKRTLKBKFG-MOPGFXCFSA-N 1 3 397.346 3.737 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCCc3nc(C)sc32)c1 ZINC000163643490 864547552 /nfs/dbraw/zinc/54/75/52/864547552.db2.gz IATGLYGAQCTBJJ-LJQANCHMSA-N 1 3 389.565 3.576 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCCc3nc(C)sc32)c1 ZINC000163643490 864547561 /nfs/dbraw/zinc/54/75/61/864547561.db2.gz IATGLYGAQCTBJJ-LJQANCHMSA-N 1 3 389.565 3.576 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000163966688 864582142 /nfs/dbraw/zinc/58/21/42/864582142.db2.gz QPTIMKKQSISPSJ-NTKDMRAZSA-N 1 3 398.595 3.775 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000554586473 864583758 /nfs/dbraw/zinc/58/37/58/864583758.db2.gz ISYWXVJBGHRAER-FQEVSTJZSA-N 1 3 394.991 3.754 20 0 GHADHO COc1cc([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc(OC)c1OC ZINC000165305956 864662205 /nfs/dbraw/zinc/66/22/05/864662205.db2.gz CCEDLMBVIZCGOB-UYAOXDASSA-N 1 3 398.547 3.928 20 0 GHADHO CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475277908 864683544 /nfs/dbraw/zinc/68/35/44/864683544.db2.gz ZJFXBQNCSSQNJY-QHCPKHFHSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc21 ZINC000554737846 864810090 /nfs/dbraw/zinc/81/00/90/864810090.db2.gz JRQCPXRTCOFTPL-MBSDFSHPSA-N 1 3 377.532 3.850 20 0 GHADHO COc1cc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc(OC)c1O ZINC000554858768 865053366 /nfs/dbraw/zinc/05/33/66/865053366.db2.gz VYHMVJKBHAKXLE-KRWDZBQOSA-N 1 3 384.520 3.931 20 0 GHADHO COc1cc(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc(OC)c1O ZINC000554858768 865053370 /nfs/dbraw/zinc/05/33/70/865053370.db2.gz VYHMVJKBHAKXLE-KRWDZBQOSA-N 1 3 384.520 3.931 20 0 GHADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000554875483 865073855 /nfs/dbraw/zinc/07/38/55/865073855.db2.gz ZLQQQYOQSBAQAB-UHFFFAOYSA-N 1 3 395.547 3.761 20 0 GHADHO COC[C@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)C1CC1 ZINC000480751939 865197220 /nfs/dbraw/zinc/19/72/20/865197220.db2.gz RYXNZCZIDCWUFR-DEOSSOPVSA-N 1 3 379.548 3.523 20 0 GHADHO COCC[N@H+](C)CCCN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000480770054 865229294 /nfs/dbraw/zinc/22/92/94/865229294.db2.gz RDDCNHASQQDIGP-KRWDZBQOSA-N 1 3 377.529 3.885 20 0 GHADHO COCC[N@@H+](C)CCCN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000480770054 865229309 /nfs/dbraw/zinc/22/93/09/865229309.db2.gz RDDCNHASQQDIGP-KRWDZBQOSA-N 1 3 377.529 3.885 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H](NCc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000555188836 865660259 /nfs/dbraw/zinc/66/02/59/865660259.db2.gz QFCDFYDJRIRRSY-YADHBBJMSA-N 1 3 396.531 3.898 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166679 865909527 /nfs/dbraw/zinc/90/95/27/865909527.db2.gz BOUGZEJKFGXOHS-QUCCMNQESA-N 1 3 395.572 3.626 20 0 GHADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000567642483 865987122 /nfs/dbraw/zinc/98/71/22/865987122.db2.gz JBLAUOWBXSUWJW-DENIHFKCSA-N 1 3 399.922 3.823 20 0 GHADHO CN(Cc1cccc(Br)c1OC(F)F)CC1CC[NH+](C)CC1 ZINC000153464165 866494310 /nfs/dbraw/zinc/49/43/10/866494310.db2.gz UPTONKATVLBXDM-UHFFFAOYSA-N 1 3 377.273 3.824 20 0 GHADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000152337468 866531108 /nfs/dbraw/zinc/53/11/08/866531108.db2.gz PAURRHFQDGHYLR-YTQUADARSA-N 1 3 399.501 3.791 20 0 GHADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000152337468 866531115 /nfs/dbraw/zinc/53/11/15/866531115.db2.gz PAURRHFQDGHYLR-YTQUADARSA-N 1 3 399.501 3.791 20 0 GHADHO C[C@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000479064199 867081535 /nfs/dbraw/zinc/08/15/35/867081535.db2.gz PWPQYJXBXYHAAI-KBXCAEBGSA-N 1 3 381.358 3.509 20 0 GHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000154022055 867209276 /nfs/dbraw/zinc/20/92/76/867209276.db2.gz CDSDELRNIKPFGF-FQEVSTJZSA-N 1 3 391.987 3.743 20 0 GHADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154397984 867390265 /nfs/dbraw/zinc/39/02/65/867390265.db2.gz WRTVJQRXJRUNHU-SFHVURJKSA-N 1 3 386.609 3.721 20 0 GHADHO CC1(C)C[C@H](NCCC[NH+]2CCC(O)CC2)c2cc(Br)ccc21 ZINC000479358623 867604535 /nfs/dbraw/zinc/60/45/35/867604535.db2.gz JPDVSLLQDKKZOW-SFHVURJKSA-N 1 3 381.358 3.608 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccnn1-c1ccccc1 ZINC000414305988 867606314 /nfs/dbraw/zinc/60/63/14/867606314.db2.gz NVXQZPGEYSJODQ-FQEVSTJZSA-N 1 3 390.531 3.550 20 0 GHADHO C[C@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000479496321 867887307 /nfs/dbraw/zinc/88/73/07/867887307.db2.gz APGYGJGMUGBACG-WOJBJXKFSA-N 1 3 385.596 3.518 20 0 GHADHO C[C@@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000479496317 867887396 /nfs/dbraw/zinc/88/73/96/867887396.db2.gz APGYGJGMUGBACG-PMACEKPBSA-N 1 3 385.596 3.518 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880666 868651289 /nfs/dbraw/zinc/65/12/89/868651289.db2.gz GOLOMQDUGSOPSH-BWKNWUBXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000479880666 868651297 /nfs/dbraw/zinc/65/12/97/868651297.db2.gz GOLOMQDUGSOPSH-BWKNWUBXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000479880666 868651307 /nfs/dbraw/zinc/65/13/07/868651307.db2.gz GOLOMQDUGSOPSH-BWKNWUBXSA-N 1 3 393.575 3.519 20 0 GHADHO COCCN(C)c1ccc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000190764943 882263250 /nfs/dbraw/zinc/26/32/50/882263250.db2.gz MENKOTFKSGPEIP-HXUWFJFHSA-N 1 3 396.579 3.686 20 0 GHADHO COCCN(C)c1ccc(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000190764943 882263255 /nfs/dbraw/zinc/26/32/55/882263255.db2.gz MENKOTFKSGPEIP-HXUWFJFHSA-N 1 3 396.579 3.686 20 0 GHADHO Cc1csc(-c2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2)n1 ZINC000665929436 869975313 /nfs/dbraw/zinc/97/53/13/869975313.db2.gz UWIFQUPXEKQKEN-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO Cc1csc(-c2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2)n1 ZINC000665929436 869975316 /nfs/dbraw/zinc/97/53/16/869975316.db2.gz UWIFQUPXEKQKEN-HNNXBMFYSA-N 1 3 389.569 3.512 20 0 GHADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000461472941 870261228 /nfs/dbraw/zinc/26/12/28/870261228.db2.gz PHCZPVCQDXRZGI-JOCHJYFZSA-N 1 3 379.548 3.780 20 0 GHADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000461472941 870261241 /nfs/dbraw/zinc/26/12/41/870261241.db2.gz PHCZPVCQDXRZGI-JOCHJYFZSA-N 1 3 379.548 3.780 20 0 GHADHO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043691 870291552 /nfs/dbraw/zinc/29/15/52/870291552.db2.gz DQJMHJZNKMSSEX-DENIHFKCSA-N 1 3 386.584 3.657 20 0 GHADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H](c2ccc(F)cc2)CC1)c1ccccc1 ZINC001192515711 870449345 /nfs/dbraw/zinc/44/93/45/870449345.db2.gz RFZDZDKUQHIUBV-WMZHIEFXSA-N 1 3 397.538 3.814 20 0 GHADHO Cc1nn(-c2ccccc2)cc1CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538762410 870601977 /nfs/dbraw/zinc/60/19/77/870601977.db2.gz OJWYRRIJULILEQ-BGYRXZFFSA-N 1 3 396.579 3.892 20 0 GHADHO Cc1nn(-c2ccccc2)cc1CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538762410 870601987 /nfs/dbraw/zinc/60/19/87/870601987.db2.gz OJWYRRIJULILEQ-BGYRXZFFSA-N 1 3 396.579 3.892 20 0 GHADHO Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538762410 870601995 /nfs/dbraw/zinc/60/19/95/870601995.db2.gz OJWYRRIJULILEQ-BGYRXZFFSA-N 1 3 396.579 3.892 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000248842749 870659951 /nfs/dbraw/zinc/65/99/51/870659951.db2.gz OJSYAAYWXHOVAL-BEFAXECRSA-N 1 3 381.358 3.848 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000249269632 870799720 /nfs/dbraw/zinc/79/97/20/870799720.db2.gz IWHVNRCDBNSPNZ-MOJGAOKDSA-N 1 3 379.548 3.635 20 0 GHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CN1C(=O)OC(C)(C)C ZINC001168808471 870859299 /nfs/dbraw/zinc/85/92/99/870859299.db2.gz RNLBEDGUINEIFY-MIUGBVLSSA-N 1 3 399.579 3.885 20 0 GHADHO Cc1nc2ccccc2n1CCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000463116571 870953205 /nfs/dbraw/zinc/95/32/05/870953205.db2.gz CVVBLFCPODRZQZ-WTIAFYNJSA-N 1 3 384.568 3.699 20 0 GHADHO COCC[NH+]1CCC(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000461800288 871026252 /nfs/dbraw/zinc/02/62/52/871026252.db2.gz SKRFRTPBAUADLO-QFIPXVFZSA-N 1 3 399.604 3.548 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000538983459 871046726 /nfs/dbraw/zinc/04/67/26/871046726.db2.gz AJMBWYKVIFGLDI-UTKZUKDTSA-N 1 3 389.515 3.750 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000538983459 871046745 /nfs/dbraw/zinc/04/67/45/871046745.db2.gz AJMBWYKVIFGLDI-UTKZUKDTSA-N 1 3 389.515 3.750 20 0 GHADHO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC000090028203 871089079 /nfs/dbraw/zinc/08/90/79/871089079.db2.gz IMZDQFFRWZHWKF-HXUWFJFHSA-N 1 3 379.548 3.980 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004727 871090973 /nfs/dbraw/zinc/09/09/73/871090973.db2.gz ONWCNYYWIOQJBG-FPOVZHCZSA-N 1 3 392.465 3.988 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004727 871090990 /nfs/dbraw/zinc/09/09/90/871090990.db2.gz ONWCNYYWIOQJBG-FPOVZHCZSA-N 1 3 392.465 3.988 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191497524 882492051 /nfs/dbraw/zinc/49/20/51/882492051.db2.gz OJSYAAYWXHOVAL-DNVCBOLYSA-N 1 3 381.358 3.848 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508782 871573648 /nfs/dbraw/zinc/57/36/48/871573648.db2.gz RMZGWSYHFMYRSB-JRFVFWCSSA-N 1 3 383.580 3.622 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508782 871573671 /nfs/dbraw/zinc/57/36/71/871573671.db2.gz RMZGWSYHFMYRSB-JRFVFWCSSA-N 1 3 383.580 3.622 20 0 GHADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CCCc2ccc(Br)cc21 ZINC000539237449 871574370 /nfs/dbraw/zinc/57/43/70/871574370.db2.gz KAYJGOHQQVMDFV-HXUWFJFHSA-N 1 3 394.401 3.784 20 0 GHADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1CCCc2ccc(Br)cc21 ZINC000539237449 871574379 /nfs/dbraw/zinc/57/43/79/871574379.db2.gz KAYJGOHQQVMDFV-HXUWFJFHSA-N 1 3 394.401 3.784 20 0 GHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627067 872086078 /nfs/dbraw/zinc/08/60/78/872086078.db2.gz KYZBIHDCOIIMMU-LAUBAEHRSA-N 1 3 390.531 3.716 20 0 GHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627067 872086097 /nfs/dbraw/zinc/08/60/97/872086097.db2.gz KYZBIHDCOIIMMU-LAUBAEHRSA-N 1 3 390.531 3.716 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000477924776 872154226 /nfs/dbraw/zinc/15/42/26/872154226.db2.gz GYPFBOLQCPXCIE-CDMIOBSGSA-N 1 3 380.523 3.749 20 0 GHADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@@H](CCO)c1ccccc1 ZINC000093442610 872189498 /nfs/dbraw/zinc/18/94/98/872189498.db2.gz RWGGHPQMKDQSFV-QHCPKHFHSA-N 1 3 381.564 3.773 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+][C@H]3CCSC3)CC2)c1 ZINC000153076455 873170937 /nfs/dbraw/zinc/17/09/37/873170937.db2.gz ZMNOYZQSTYVHFF-KRWDZBQOSA-N 1 3 387.515 3.703 20 0 GHADHO COc1cc(CNCc2cccc(OCC[NH+](C)C)c2)cc(C(F)(F)F)c1 ZINC000527639810 873390930 /nfs/dbraw/zinc/39/09/30/873390930.db2.gz DQAUAIBKRRHVNZ-UHFFFAOYSA-N 1 3 382.426 3.944 20 0 GHADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000237129891 882757351 /nfs/dbraw/zinc/75/73/51/882757351.db2.gz OQNCEYVEYSVGPO-UHFFFAOYSA-N 1 3 387.612 3.769 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000527933536 873808462 /nfs/dbraw/zinc/80/84/62/873808462.db2.gz OWQSAOWZSZETQA-APWZRJJASA-N 1 3 380.458 3.672 20 0 GHADHO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541667218 874048290 /nfs/dbraw/zinc/04/82/90/874048290.db2.gz PJJSWVRWXOFVIG-QGZVFWFLSA-N 1 3 381.511 3.699 20 0 GHADHO CCN1CCC(CC[NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000541732603 874169463 /nfs/dbraw/zinc/16/94/63/874169463.db2.gz DWYSSGXQDDDFLG-FGZHOGPDSA-N 1 3 392.609 3.792 20 0 GHADHO COc1cccc(COCCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c1 ZINC000449208475 874588100 /nfs/dbraw/zinc/58/81/00/874588100.db2.gz PFVOHCNFTFMREY-FQEVSTJZSA-N 1 3 382.548 3.897 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000449197738 874597209 /nfs/dbraw/zinc/59/72/09/874597209.db2.gz XJEUVAKJFBLGRP-WIYYLYMNSA-N 1 3 398.982 3.999 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000449282503 874666727 /nfs/dbraw/zinc/66/67/27/874666727.db2.gz HDIKXPBZJWREHX-WVQWTBLQSA-N 1 3 396.550 3.977 20 0 GHADHO COc1ccc(Oc2cc(CNCc3ccnn3-c3cc[nH+]cc3)ccn2)cc1 ZINC001199384048 874958145 /nfs/dbraw/zinc/95/81/45/874958145.db2.gz NKLWYANSEAYHMV-UHFFFAOYSA-N 1 3 387.443 3.753 20 0 GHADHO COc1ccc(Oc2cc(C[NH2+]Cc3ccnn3-c3ccncc3)ccn2)cc1 ZINC001199384048 874958153 /nfs/dbraw/zinc/95/81/53/874958153.db2.gz NKLWYANSEAYHMV-UHFFFAOYSA-N 1 3 387.443 3.753 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC1 ZINC000449531452 875013501 /nfs/dbraw/zinc/01/35/01/875013501.db2.gz DFDMSSMSAGXQPF-ISKFKSNPSA-N 1 3 394.563 3.624 20 0 GHADHO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000449771834 875370804 /nfs/dbraw/zinc/37/08/04/875370804.db2.gz KDGLRLJMQHYJSG-ZQGJOIPISA-N 1 3 394.563 3.531 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(C(F)(F)F)cc1 ZINC001201626011 875801898 /nfs/dbraw/zinc/80/18/98/875801898.db2.gz HTNDMOKENRHKRD-HXUWFJFHSA-N 1 3 378.438 3.952 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(C(F)(F)F)cc1 ZINC001201626011 875801903 /nfs/dbraw/zinc/80/19/03/875801903.db2.gz HTNDMOKENRHKRD-HXUWFJFHSA-N 1 3 378.438 3.952 20 0 GHADHO CCc1ccc2nccc(NCc3ccc(C[NH+]4CCC(O)CC4)cc3)c2c1 ZINC000450314826 876257881 /nfs/dbraw/zinc/25/78/81/876257881.db2.gz OCJZJASYCWIZFN-UHFFFAOYSA-N 1 3 375.516 3.788 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(Cl)cc(C)c3OC)CC2)CC1 ZINC000529848822 876751467 /nfs/dbraw/zinc/75/14/67/876751467.db2.gz SXBAZDRAXDHDDY-UHFFFAOYSA-N 1 3 393.959 3.792 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2)CC1 ZINC000174194988 876892603 /nfs/dbraw/zinc/89/26/03/876892603.db2.gz GCDYMTQTDBLFGE-JTHBVZDNSA-N 1 3 398.595 3.587 20 0 GHADHO COCc1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1OC ZINC000850517297 876988672 /nfs/dbraw/zinc/98/86/72/876988672.db2.gz YGTMQHYMXDTYCY-GOSISDBHSA-N 1 3 383.536 3.799 20 0 GHADHO O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000850584664 877058518 /nfs/dbraw/zinc/05/85/18/877058518.db2.gz SZQFHGYPYIIXMR-DCXXXQMHSA-N 1 3 390.449 3.923 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccc(C)n(C)c2=O)cc1C[NH+]1CCCCC1 ZINC000786930461 877062266 /nfs/dbraw/zinc/06/22/66/877062266.db2.gz IZXDMTPHNACCJT-GOSISDBHSA-N 1 3 383.536 3.539 20 0 GHADHO CCCOc1ccccc1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000174579869 877105463 /nfs/dbraw/zinc/10/54/63/877105463.db2.gz GVVXHFSFJPQSFP-UHFFFAOYSA-N 1 3 388.556 3.547 20 0 GHADHO Cn1c2ccc(C[N@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)cc2sc1=O ZINC000195018037 883109373 /nfs/dbraw/zinc/10/93/73/883109373.db2.gz LUPASKWIVBIUGR-LJQANCHMSA-N 1 3 381.545 3.554 20 0 GHADHO Cn1c2ccc(C[N@@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)cc2sc1=O ZINC000195018037 883109381 /nfs/dbraw/zinc/10/93/81/883109381.db2.gz LUPASKWIVBIUGR-LJQANCHMSA-N 1 3 381.545 3.554 20 0 GHADHO CC(C)[N@H+](C)CC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000530335920 877568106 /nfs/dbraw/zinc/56/81/06/877568106.db2.gz PBMFCRGBKVHWQF-OAQYLSRUSA-N 1 3 393.522 3.508 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000530335920 877568123 /nfs/dbraw/zinc/56/81/23/877568123.db2.gz PBMFCRGBKVHWQF-OAQYLSRUSA-N 1 3 393.522 3.508 20 0 GHADHO CC[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)[C@H]2CC)c1 ZINC000451276222 877698505 /nfs/dbraw/zinc/69/85/05/877698505.db2.gz ZWSAFZGXVWTHIF-NPDDRXJXSA-N 1 3 394.987 3.526 20 0 GHADHO CC[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C[N@H+]2CC[C@H](CO)[C@H]2CC)c1 ZINC000451276222 877698508 /nfs/dbraw/zinc/69/85/08/877698508.db2.gz ZWSAFZGXVWTHIF-NPDDRXJXSA-N 1 3 394.987 3.526 20 0 GHADHO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(CN2CC[C@H](CO)[C@H]2CC)c1 ZINC000451276222 877698510 /nfs/dbraw/zinc/69/85/10/877698510.db2.gz ZWSAFZGXVWTHIF-NPDDRXJXSA-N 1 3 394.987 3.526 20 0 GHADHO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(CN2CC[C@H](CO)[C@H]2CC)c1 ZINC000451276222 877698513 /nfs/dbraw/zinc/69/85/13/877698513.db2.gz ZWSAFZGXVWTHIF-NPDDRXJXSA-N 1 3 394.987 3.526 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)c1ccccc1 ZINC000451292298 877734445 /nfs/dbraw/zinc/73/44/45/877734445.db2.gz ASNJZTNBYWHIIO-BZSNNMDCSA-N 1 3 385.474 3.506 20 0 GHADHO CC(C)(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000175634827 877810056 /nfs/dbraw/zinc/81/00/56/877810056.db2.gz AMFOYSKAFDEWFG-UHFFFAOYSA-N 1 3 398.595 3.530 20 0 GHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000788591094 878190387 /nfs/dbraw/zinc/19/03/87/878190387.db2.gz HWYKMHZYUSPVQS-KRWDZBQOSA-N 1 3 379.589 3.876 20 0 GHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000788591094 878190395 /nfs/dbraw/zinc/19/03/95/878190395.db2.gz HWYKMHZYUSPVQS-KRWDZBQOSA-N 1 3 379.589 3.876 20 0 GHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000788669647 878262196 /nfs/dbraw/zinc/26/21/96/878262196.db2.gz FOCJTSQIHKPCKR-XUVXKRRUSA-N 1 3 381.605 3.980 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000537969830 878640770 /nfs/dbraw/zinc/64/07/70/878640770.db2.gz ULAUWHYGHRMUSA-DNQXCXABSA-N 1 3 391.559 3.938 20 0 GHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000245956567 878795632 /nfs/dbraw/zinc/79/56/32/878795632.db2.gz CSMQUXHHQMTVGL-BZUAXINKSA-N 1 3 378.948 3.767 20 0 GHADHO Cc1cccc([C@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000452084538 878943455 /nfs/dbraw/zinc/94/34/55/878943455.db2.gz LDGQHMPFJQVOGZ-FQEVSTJZSA-N 1 3 379.548 3.735 20 0 GHADHO Cc1cccc(C(C)(C)NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000538214973 879029190 /nfs/dbraw/zinc/02/91/90/879029190.db2.gz KQXJAFVZOXERPZ-UHFFFAOYSA-N 1 3 379.548 3.732 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000178693658 879187181 /nfs/dbraw/zinc/18/71/81/879187181.db2.gz SBFQDWUVJCFRGO-GJZGRUSLSA-N 1 3 386.353 3.512 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCc4ccccc43)c2)C1 ZINC000246618410 879724008 /nfs/dbraw/zinc/72/40/08/879724008.db2.gz SVDOESGYGHAXSL-GGAORHGYSA-N 1 3 377.532 3.551 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCc4ccccc43)c2)C1 ZINC000246618410 879724022 /nfs/dbraw/zinc/72/40/22/879724022.db2.gz SVDOESGYGHAXSL-GGAORHGYSA-N 1 3 377.532 3.551 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)[C@@H](OC)c3ccccc3)cc2)CC1 ZINC000493967661 879786310 /nfs/dbraw/zinc/78/63/10/879786310.db2.gz HNRCNBDTBXKIJI-HYBUGGRVSA-N 1 3 381.564 3.690 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC000246839729 879822802 /nfs/dbraw/zinc/82/28/02/879822802.db2.gz CBZWUMDDFHODQD-YAJHFMINSA-N 1 3 397.966 3.561 20 0 GHADHO CCOc1ccc(C(C)=O)cc1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182963549 880044700 /nfs/dbraw/zinc/04/47/00/880044700.db2.gz XMMJSYPKNUMPPA-UHFFFAOYSA-N 1 3 388.552 3.612 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[N@@H+]1CCCC[C@H]1C ZINC000531932980 880785747 /nfs/dbraw/zinc/78/57/47/880785747.db2.gz GACJPCSORQBHPU-QZTJIDSGSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[N@H+]1CCCC[C@H]1C ZINC000531932980 880785755 /nfs/dbraw/zinc/78/57/55/880785755.db2.gz GACJPCSORQBHPU-QZTJIDSGSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN1CCCC[C@H]1C ZINC000531932980 880785767 /nfs/dbraw/zinc/78/57/67/880785767.db2.gz GACJPCSORQBHPU-QZTJIDSGSA-N 1 3 379.976 3.931 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4cc(OC)ccc43)cc2)CC1 ZINC000531937914 880795423 /nfs/dbraw/zinc/79/54/23/880795423.db2.gz PKHSXARVNINCBT-RUZDIDTESA-N 1 3 393.575 4.000 20 0 GHADHO CC(C)[C@H](CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)[NH+]1CCCC1 ZINC000531947229 880804943 /nfs/dbraw/zinc/80/49/43/880804943.db2.gz MYYNALILOBNSSO-PXNSSMCTSA-N 1 3 379.976 3.787 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490916 883141390 /nfs/dbraw/zinc/14/13/90/883141390.db2.gz SIIJKKXSYZKJJU-SJLPKXTDSA-N 1 3 390.572 3.797 20 0 GHADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858492525 883144532 /nfs/dbraw/zinc/14/45/32/883144532.db2.gz YGGBWDLOLZUNSC-RTBURBONSA-N 1 3 385.552 3.553 20 0 GHADHO Fc1cccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1Cl ZINC001211911683 883842234 /nfs/dbraw/zinc/84/22/34/883842234.db2.gz SWPYVQQMLWXJHU-MRXNPFEDSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1cccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1Cl ZINC001211911683 883842243 /nfs/dbraw/zinc/84/22/43/883842243.db2.gz SWPYVQQMLWXJHU-MRXNPFEDSA-N 1 3 398.869 3.718 20 0 GHADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000194734677 883914010 /nfs/dbraw/zinc/91/40/10/883914010.db2.gz RRXKUTYJZPCEDS-QFIPXVFZSA-N 1 3 377.532 3.534 20 0 GHADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000194734677 883914016 /nfs/dbraw/zinc/91/40/16/883914016.db2.gz RRXKUTYJZPCEDS-QFIPXVFZSA-N 1 3 377.532 3.534 20 0 GHADHO CN1CCO[C@H]([C@@H](NCCCCC[NH+]2CCCC2)c2ccc(Cl)cc2)C1 ZINC000556234388 884187445 /nfs/dbraw/zinc/18/74/45/884187445.db2.gz XCFJJIVVIGXQTQ-SFTDATJTSA-N 1 3 379.976 3.567 20 0 GHADHO C[C@@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000806932314 885097705 /nfs/dbraw/zinc/09/77/05/885097705.db2.gz XMWSBOPMCCACNJ-DZVQBONVSA-N 1 3 386.584 3.774 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccco1 ZINC000806931911 885097813 /nfs/dbraw/zinc/09/78/13/885097813.db2.gz SPGSAPQNSBLKOL-YNIZLOQISA-N 1 3 390.572 3.805 20 0 GHADHO CC1CC[NH+](C[C@H]2CCCN(C[C@H]3CN(Cc4ccccc4)CCCO3)C2)CC1 ZINC000556496742 885149147 /nfs/dbraw/zinc/14/91/47/885149147.db2.gz DNSYVLLUWDNKEZ-RPBOFIJWSA-N 1 3 399.623 3.721 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000045757771 885297853 /nfs/dbraw/zinc/29/78/53/885297853.db2.gz SUQQSANRWRVQFD-UHFFFAOYSA-N 1 3 380.536 3.843 20 0 GHADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000107326049 885343046 /nfs/dbraw/zinc/34/30/46/885343046.db2.gz VDZXROJSROYCLS-IBGZPJMESA-N 1 3 392.613 3.695 20 0 GHADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080203298 885366624 /nfs/dbraw/zinc/36/66/24/885366624.db2.gz AEVBVXLBUQOZIR-UHFFFAOYSA-N 1 3 386.584 3.557 20 0 GHADHO COC(=O)c1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(C)c1 ZINC001170528125 885539602 /nfs/dbraw/zinc/53/96/02/885539602.db2.gz HZHSCYZHCXCCKR-UHFFFAOYSA-N 1 3 391.515 3.691 20 0 GHADHO C[C@H]1[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000807620931 885577305 /nfs/dbraw/zinc/57/73/05/885577305.db2.gz SYUMOSVBUXXNJC-WMZHIEFXSA-N 1 3 394.563 3.553 20 0 GHADHO COc1cccc([C@@H](O)C2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)c1 ZINC000862543218 886454845 /nfs/dbraw/zinc/45/48/45/886454845.db2.gz FORVNYBBBGMOQK-DEOSSOPVSA-N 1 3 398.547 3.581 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C)c1OC ZINC000556891245 886517327 /nfs/dbraw/zinc/51/73/27/886517327.db2.gz ADFYHZLVWHIASL-WIYYLYMNSA-N 1 3 398.547 3.820 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)c1OC ZINC000556891245 886517339 /nfs/dbraw/zinc/51/73/39/886517339.db2.gz ADFYHZLVWHIASL-WIYYLYMNSA-N 1 3 398.547 3.820 20 0 GHADHO CSc1ccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000130181523 887578152 /nfs/dbraw/zinc/57/81/52/887578152.db2.gz MBKIXIUHPSXDRC-UHFFFAOYSA-N 1 3 383.561 3.524 20 0 GHADHO CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001184406041 913168217 /nfs/dbraw/zinc/16/82/17/913168217.db2.gz WWGZZXOTXSRWJT-SFHVURJKSA-N 1 3 377.960 3.543 20 0 GHADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000119962311 887682953 /nfs/dbraw/zinc/68/29/53/887682953.db2.gz WKZVKIFWEVBSLX-WMZOPIPTSA-N 1 3 397.485 3.689 20 0 GHADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000119962311 887682958 /nfs/dbraw/zinc/68/29/58/887682958.db2.gz WKZVKIFWEVBSLX-WMZOPIPTSA-N 1 3 397.485 3.689 20 0 GHADHO CC(C)(C)OC(=O)Nc1cnc(CNC2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000865484841 888380551 /nfs/dbraw/zinc/38/05/51/888380551.db2.gz LLPFGKVQWBRIFG-UHFFFAOYSA-N 1 3 389.544 3.710 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810413196 888478482 /nfs/dbraw/zinc/47/84/82/888478482.db2.gz QXFSNTWZMJPBTP-VGOFRKELSA-N 1 3 375.532 3.541 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1)CC(C)C ZINC000810877948 888948849 /nfs/dbraw/zinc/94/88/49/888948849.db2.gz OTEADDLQBIKVGS-JOCHJYFZSA-N 1 3 383.596 3.806 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1)CC(C)C ZINC000810877948 888948852 /nfs/dbraw/zinc/94/88/52/888948852.db2.gz OTEADDLQBIKVGS-JOCHJYFZSA-N 1 3 383.596 3.806 20 0 GHADHO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2c(c1)CNC2 ZINC000868169055 889332225 /nfs/dbraw/zinc/33/22/25/889332225.db2.gz TVSBJCCEYBFSAH-UHFFFAOYSA-N 1 3 378.520 3.714 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530884 913345517 /nfs/dbraw/zinc/34/55/17/913345517.db2.gz RRBGGXSTNCRGNZ-DHIUTWEWSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530884 913345545 /nfs/dbraw/zinc/34/55/45/913345545.db2.gz RRBGGXSTNCRGNZ-DHIUTWEWSA-N 1 3 382.548 3.545 20 0 GHADHO Brc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Br ZINC000124518269 889657285 /nfs/dbraw/zinc/65/72/85/889657285.db2.gz YDKBZWRCUYGIFG-GFCCVEGCSA-N 1 3 388.147 3.786 20 0 GHADHO COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc(OC)c1OC ZINC000245760906 889662800 /nfs/dbraw/zinc/66/28/00/889662800.db2.gz VOYAQMMBPRHOHF-WKCHPHFGSA-N 1 3 396.531 3.998 20 0 GHADHO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc(OC)c1OC ZINC000245760899 889663243 /nfs/dbraw/zinc/66/32/43/889663243.db2.gz VOYAQMMBPRHOHF-MZADTFQBSA-N 1 3 396.531 3.998 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc3[nH]ccc32)[C@H]1c1cccs1 ZINC000644574078 913375122 /nfs/dbraw/zinc/37/51/22/913375122.db2.gz SBLCJWFAYOPJPY-YVHKJVDXSA-N 1 3 399.560 3.642 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc3[nH]ccc32)[C@H]1c1cccs1 ZINC000644574078 913375129 /nfs/dbraw/zinc/37/51/29/913375129.db2.gz SBLCJWFAYOPJPY-YVHKJVDXSA-N 1 3 399.560 3.642 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000125728422 890102266 /nfs/dbraw/zinc/10/22/66/890102266.db2.gz XFUDNRIIXRVLSA-PKOBYXMFSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000125728422 890102273 /nfs/dbraw/zinc/10/22/73/890102273.db2.gz XFUDNRIIXRVLSA-PKOBYXMFSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000125728422 890102281 /nfs/dbraw/zinc/10/22/81/890102281.db2.gz XFUDNRIIXRVLSA-PKOBYXMFSA-N 1 3 379.976 3.787 20 0 GHADHO C[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000455119295 890335728 /nfs/dbraw/zinc/33/57/28/890335728.db2.gz QTNPGSSRIOOFNN-NRFANRHFSA-N 1 3 386.584 3.559 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000520798518 890611740 /nfs/dbraw/zinc/61/17/40/890611740.db2.gz WDLLOAATKNZPBV-CQSZACIVSA-N 1 3 375.340 3.586 20 0 GHADHO C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000812841542 891029068 /nfs/dbraw/zinc/02/90/68/891029068.db2.gz ALAXXYHRBQWLEX-PMACEKPBSA-N 1 3 384.612 3.964 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000128118690 891425305 /nfs/dbraw/zinc/42/53/05/891425305.db2.gz NPYDENRILIQZLI-GOTSBHOMSA-N 1 3 379.548 3.538 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000128118690 891425318 /nfs/dbraw/zinc/42/53/18/891425318.db2.gz NPYDENRILIQZLI-GOTSBHOMSA-N 1 3 379.548 3.538 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCSC5)C4)[C@H]3C2)cc1 ZINC000248398717 891430473 /nfs/dbraw/zinc/43/04/73/891430473.db2.gz JGNFUCXMGFATOQ-MFKCLSPESA-N 1 3 386.605 3.931 20 0 GHADHO COc1ccc2oc([C@@H](C)[NH2+]Cc3cccc(-n4cc(CN)nn4)c3)c(C)c2c1 ZINC000873247743 891548635 /nfs/dbraw/zinc/54/86/35/891548635.db2.gz SUARFKGRLABGPI-OAHLLOKOSA-N 1 3 391.475 3.640 20 0 GHADHO C[C@H]1C[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000262321196 892262580 /nfs/dbraw/zinc/26/25/80/892262580.db2.gz CJPIEPDUFWYVTI-RDJZCZTQSA-N 1 3 398.378 3.806 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000497735299 892288540 /nfs/dbraw/zinc/28/85/40/892288540.db2.gz GZBLGBVLBNPHKX-IRLDBZIGSA-N 1 3 386.584 3.605 20 0 GHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(F)c(C)c1 ZINC000874925490 892377578 /nfs/dbraw/zinc/37/75/78/892377578.db2.gz KVVYOOKNEJFTRB-UHFFFAOYSA-N 1 3 375.532 3.683 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645154167 913713401 /nfs/dbraw/zinc/71/34/01/913713401.db2.gz VFXAKKXPCNFYTR-SIKLNZKXSA-N 1 3 386.584 3.687 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645154167 913713411 /nfs/dbraw/zinc/71/34/11/913713411.db2.gz VFXAKKXPCNFYTR-SIKLNZKXSA-N 1 3 386.584 3.687 20 0 GHADHO COc1cc(NCC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1 ZINC000508723500 892989648 /nfs/dbraw/zinc/98/96/48/892989648.db2.gz XJYYCSDFUGGTQG-AZUAARDMSA-N 1 3 383.536 3.616 20 0 GHADHO COCCOc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563120148 893374655 /nfs/dbraw/zinc/37/46/55/893374655.db2.gz TXDIFAWDVFIZQN-JOCHJYFZSA-N 1 3 380.532 3.999 20 0 GHADHO COCCOc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563120148 893374671 /nfs/dbraw/zinc/37/46/71/893374671.db2.gz TXDIFAWDVFIZQN-JOCHJYFZSA-N 1 3 380.532 3.999 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC2)CC1 ZINC000878323392 894194222 /nfs/dbraw/zinc/19/42/22/894194222.db2.gz WUFNKAGKYSMKDJ-BJKOFHAPSA-N 1 3 385.596 3.787 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3c2cccc3Br)C[C@H](C)O1 ZINC000537016603 894195995 /nfs/dbraw/zinc/19/59/95/894195995.db2.gz PQQXCUFXLNMQGT-ZRGWGRIASA-N 1 3 381.358 3.915 20 0 GHADHO C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(N2CCOCC2)c1 ZINC000423480340 894521033 /nfs/dbraw/zinc/52/10/33/894521033.db2.gz VRRVFJAJOCJGIN-UTSGNWPNSA-N 1 3 397.538 3.706 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000565029648 895355606 /nfs/dbraw/zinc/35/56/06/895355606.db2.gz BMUNJZDTBLNLHC-DEOSSOPVSA-N 1 3 391.559 3.796 20 0 GHADHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285661 895437051 /nfs/dbraw/zinc/43/70/51/895437051.db2.gz AVXCKDPLYLTNGX-LJQANCHMSA-N 1 3 397.567 3.598 20 0 GHADHO CCN1CCC([N@H+]2CCCN([C@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285661 895437057 /nfs/dbraw/zinc/43/70/57/895437057.db2.gz AVXCKDPLYLTNGX-LJQANCHMSA-N 1 3 397.567 3.598 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)CCc3ccccc3)CC2)CC1 ZINC000565606153 895755165 /nfs/dbraw/zinc/75/51/65/895755165.db2.gz GNHCQGJJXUIQTF-UHFFFAOYSA-N 1 3 385.596 3.710 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)(N2CCCCC2)CC1 ZINC000565723350 895833386 /nfs/dbraw/zinc/83/33/86/895833386.db2.gz UAPYNJARZWPBOD-PCCBWWKXSA-N 1 3 375.601 3.659 20 0 GHADHO NC1(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C2CC3CC(C2)CC1C3 ZINC000817984598 895992740 /nfs/dbraw/zinc/99/27/40/895992740.db2.gz VLHABPQEJVSIEW-KZXQFJSRSA-N 1 3 397.563 3.783 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3ccsc3)CC2)CC1 ZINC000566923510 896700330 /nfs/dbraw/zinc/70/03/30/896700330.db2.gz INJZPYBRDPVXJZ-HXUWFJFHSA-N 1 3 375.582 3.608 20 0 GHADHO OC1(CCN[C@@H]2CCc3ccc(Cl)nc32)CC[NH+](Cc2ccccc2)CC1 ZINC000883343141 897511381 /nfs/dbraw/zinc/51/13/81/897511381.db2.gz ATZFNHSIXVOAIF-LJQANCHMSA-N 1 3 385.939 3.729 20 0 GHADHO C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820808257 897536678 /nfs/dbraw/zinc/53/66/78/897536678.db2.gz BTSGOXGJCCKXSH-HTAPYJJXSA-N 1 3 381.520 3.717 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)Cc3ccc(C)cc3)CC2)CC1 ZINC000568199564 897667416 /nfs/dbraw/zinc/66/74/16/897667416.db2.gz BVYGIKCVCHQOKV-FQEVSTJZSA-N 1 3 385.596 3.581 20 0 GHADHO C[C@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000824314200 899519301 /nfs/dbraw/zinc/51/93/01/899519301.db2.gz HQYHWJQEWZRTML-MSOLQXFVSA-N 1 3 375.557 3.585 20 0 GHADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761645 899567543 /nfs/dbraw/zinc/56/75/43/899567543.db2.gz CCSQZHLFJAFPAD-WMZOPIPTSA-N 1 3 378.442 3.807 20 0 GHADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761645 899567551 /nfs/dbraw/zinc/56/75/51/899567551.db2.gz CCSQZHLFJAFPAD-WMZOPIPTSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761645 899567559 /nfs/dbraw/zinc/56/75/59/899567559.db2.gz CCSQZHLFJAFPAD-WMZOPIPTSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761645 899567569 /nfs/dbraw/zinc/56/75/69/899567569.db2.gz CCSQZHLFJAFPAD-WMZOPIPTSA-N 1 3 378.442 3.807 20 0 GHADHO Fc1cccc2[nH]cc(CN3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c21 ZINC001136982438 899955333 /nfs/dbraw/zinc/95/53/33/899955333.db2.gz BZXQHHVJDUWNSO-UHFFFAOYSA-N 1 3 381.499 3.548 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccc(C(C)C)cc3)CC2)CC1 ZINC000573017260 900343939 /nfs/dbraw/zinc/34/39/39/900343939.db2.gz AEGDIUOKNPTWDF-UHFFFAOYSA-N 1 3 385.596 3.665 20 0 GHADHO COc1ccc2c(c1)nc(C[NH2+][C@H]1CCN(Cc3ccccc3)C3(CC3)C1)n2C ZINC000573606359 900574081 /nfs/dbraw/zinc/57/40/81/900574081.db2.gz UNFSTGOMHWKEHB-IBGZPJMESA-N 1 3 390.531 3.869 20 0 GHADHO CCOC(=O)c1csc(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000886596397 901182574 /nfs/dbraw/zinc/18/25/74/901182574.db2.gz DNEIPMHOEGUOQJ-FHWLQOOXSA-N 1 3 399.560 3.505 20 0 GHADHO CCOC(=O)c1csc(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000886596397 901182585 /nfs/dbraw/zinc/18/25/85/901182585.db2.gz DNEIPMHOEGUOQJ-FHWLQOOXSA-N 1 3 399.560 3.505 20 0 GHADHO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)CC2 ZINC000886598755 901183994 /nfs/dbraw/zinc/18/39/94/901183994.db2.gz JJIGWESRWOLPKZ-UDIDDNNKSA-N 1 3 378.564 3.964 20 0 GHADHO O=C(NCC(F)(F)F)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000575848660 901380903 /nfs/dbraw/zinc/38/09/03/901380903.db2.gz AMFFTDOICHJJLA-UHFFFAOYSA-N 1 3 397.485 3.563 20 0 GHADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc4cc([C@@H]5CNCCO5)cn43)c2c1 ZINC001171170169 901948922 /nfs/dbraw/zinc/94/89/22/901948922.db2.gz UOSYVQRYNIBCOF-SBUREZEXSA-N 1 3 388.515 3.742 20 0 GHADHO CC(C)c1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576512399 902069353 /nfs/dbraw/zinc/06/93/53/902069353.db2.gz TZRFWTUSEXBFOE-VXKWHMMOSA-N 1 3 382.548 3.661 20 0 GHADHO CC(C)c1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576512399 902069360 /nfs/dbraw/zinc/06/93/60/902069360.db2.gz TZRFWTUSEXBFOE-VXKWHMMOSA-N 1 3 382.548 3.661 20 0 GHADHO Brc1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000576875123 902326121 /nfs/dbraw/zinc/32/61/21/902326121.db2.gz MLPQRLUSCZLUQV-HZPDHXFCSA-N 1 3 390.325 3.926 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000779014925 902867141 /nfs/dbraw/zinc/86/71/41/902867141.db2.gz RKENETOHJGKUPY-RDJZCZTQSA-N 1 3 388.556 3.550 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000600901504 903071532 /nfs/dbraw/zinc/07/15/32/903071532.db2.gz OLEZOGKWGCZZGV-QFIPXVFZSA-N 1 3 386.584 3.779 20 0 GHADHO CN1C(C)(C)CC([NH2+]C2CCN(c3ncnc4ccccc43)CC2)CC1(C)C ZINC001171623171 904888952 /nfs/dbraw/zinc/88/89/52/904888952.db2.gz NEPIABLGJIJERX-UHFFFAOYSA-N 1 3 381.568 3.840 20 0 GHADHO C[NH+]1C(C)(C)CC(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1(C)C ZINC001171638116 904927973 /nfs/dbraw/zinc/92/79/73/904927973.db2.gz RVXDBDSVKNSSJT-NQIIRXRSSA-N 1 3 389.559 3.614 20 0 GHADHO CC1(C)C[C@@H](N2CCC(NC(=O)N3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171986637 905245249 /nfs/dbraw/zinc/24/52/49/905245249.db2.gz JWHBJJMLUFLIQA-QFIPXVFZSA-N 1 3 398.595 3.699 20 0 GHADHO CC1(C)C[C@@H](N2CCC(NC(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171986637 905245259 /nfs/dbraw/zinc/24/52/59/905245259.db2.gz JWHBJJMLUFLIQA-QFIPXVFZSA-N 1 3 398.595 3.699 20 0 GHADHO O[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061124 905265387 /nfs/dbraw/zinc/26/53/87/905265387.db2.gz FRJFVCPDKXQIRQ-BJESRGMDSA-N 1 3 380.532 3.602 20 0 GHADHO O[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061124 905265401 /nfs/dbraw/zinc/26/54/01/905265401.db2.gz FRJFVCPDKXQIRQ-BJESRGMDSA-N 1 3 380.532 3.602 20 0 GHADHO CN(C1CC1)C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172105661 905354162 /nfs/dbraw/zinc/35/41/62/905354162.db2.gz JZEBPYMYDZEVHQ-PMOLBWCYSA-N 1 3 377.573 3.866 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@H]2C1 ZINC001172536184 905639802 /nfs/dbraw/zinc/63/98/02/905639802.db2.gz MGKGABZWVXHRDP-FCUGFLGKSA-N 1 3 395.591 3.591 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172542123 905645190 /nfs/dbraw/zinc/64/51/90/905645190.db2.gz SUWXRXPXRZISEL-PKTZIBPZSA-N 1 3 393.575 3.537 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172542123 905645194 /nfs/dbraw/zinc/64/51/94/905645194.db2.gz SUWXRXPXRZISEL-PKTZIBPZSA-N 1 3 393.575 3.537 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H](N2CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172609955 905668452 /nfs/dbraw/zinc/66/84/52/905668452.db2.gz SKRXASKDRMVWQV-FUHWJXTLSA-N 1 3 398.469 3.773 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H](NC(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172584372 905684348 /nfs/dbraw/zinc/68/43/48/905684348.db2.gz NGNXXLFXFWMQLB-AEFFLSMTSA-N 1 3 379.520 3.902 20 0 GHADHO CCC(CC)N1CCC([NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001172999365 906073517 /nfs/dbraw/zinc/07/35/17/906073517.db2.gz OQKUXSDVRXHRFX-UHFFFAOYSA-N 1 3 375.532 3.673 20 0 GHADHO O=C(c1ccc(F)cc1)N1CCC([N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001173001532 906076882 /nfs/dbraw/zinc/07/68/82/906076882.db2.gz LYZMAIPJZVJCJQ-NRFANRHFSA-N 1 3 387.543 3.771 20 0 GHADHO O=C(c1ccc(F)cc1)N1CCC([N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001173001532 906076893 /nfs/dbraw/zinc/07/68/93/906076893.db2.gz LYZMAIPJZVJCJQ-NRFANRHFSA-N 1 3 387.543 3.771 20 0 GHADHO C[NH+](C)CC[C@H](NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC001172993153 906103205 /nfs/dbraw/zinc/10/32/05/906103205.db2.gz HZBQZIGIFBZGDL-QFIPXVFZSA-N 1 3 383.511 3.713 20 0 GHADHO CCC(CC)N1CCC([NH2+]C2CCN(C(=O)c3ccc(OC)cc3)CC2)CC1 ZINC001173405223 906433288 /nfs/dbraw/zinc/43/32/88/906433288.db2.gz VVYGEWNAJMNHGI-UHFFFAOYSA-N 1 3 387.568 3.542 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC001173709623 906660037 /nfs/dbraw/zinc/66/00/37/906660037.db2.gz PDTGZTOKMXDJFK-PVERMEFCSA-N 1 3 392.543 3.904 20 0 GHADHO C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630609 907042389 /nfs/dbraw/zinc/04/23/89/907042389.db2.gz YDTHIMZMYOIGTH-IRXDYDNUSA-N 1 3 383.536 3.877 20 0 GHADHO C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630609 907042406 /nfs/dbraw/zinc/04/24/06/907042406.db2.gz YDTHIMZMYOIGTH-IRXDYDNUSA-N 1 3 383.536 3.877 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@@H]3O)CC1)CCS2 ZINC000191535097 908639209 /nfs/dbraw/zinc/63/92/09/908639209.db2.gz HJIKSFYZDKAHAD-AQNXPRMDSA-N 1 3 376.566 3.590 20 0 GHADHO Fc1ccc([C@@H]2OCC[C@H]2N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000635004210 909099452 /nfs/dbraw/zinc/09/94/52/909099452.db2.gz NJXNOAULYNZYFA-WKDRNLAYSA-N 1 3 386.442 3.640 20 0 GHADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000266952481 909348103 /nfs/dbraw/zinc/34/81/03/909348103.db2.gz TZXWYZNLASGEJW-CQSZACIVSA-N 1 3 398.378 3.772 20 0 GHADHO CC(=O)N(C)C1CC[NH+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC000637977420 910019796 /nfs/dbraw/zinc/01/97/96/910019796.db2.gz PHKFEKNHBNDIHN-XMMPIXPASA-N 1 3 385.596 3.868 20 0 GHADHO CC(=O)N(C)C1CCN(C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000637977420 910019810 /nfs/dbraw/zinc/01/98/10/910019810.db2.gz PHKFEKNHBNDIHN-XMMPIXPASA-N 1 3 385.596 3.868 20 0 GHADHO CC(=O)N(C)C1CCN(C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000637977420 910019819 /nfs/dbraw/zinc/01/98/19/910019819.db2.gz PHKFEKNHBNDIHN-XMMPIXPASA-N 1 3 385.596 3.868 20 0 GHADHO C[C@@H]1C[C@H](NCc2cccc(CN3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268832557 910038277 /nfs/dbraw/zinc/03/82/77/910038277.db2.gz RGRHIQUKYSHYIT-HYBUGGRVSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@@H]1C[C@H](NCc2cccc(CN3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000268832557 910038286 /nfs/dbraw/zinc/03/82/86/910038286.db2.gz RGRHIQUKYSHYIT-HYBUGGRVSA-N 1 3 391.559 3.952 20 0 GHADHO Cc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000641773342 911511260 /nfs/dbraw/zinc/51/12/60/911511260.db2.gz HINMABGAVISSJX-CVEARBPZSA-N 1 3 381.358 3.909 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4CCC5(CC4)OCCO5)[C@@H]3C2)cc1 ZINC000774389874 911731993 /nfs/dbraw/zinc/73/19/93/911731993.db2.gz CLAMFEXEPFCJQX-YTFSRNRJSA-N 1 3 384.564 3.810 20 0 GHADHO C[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000284421562 911859523 /nfs/dbraw/zinc/85/95/23/911859523.db2.gz RHACTJUDPGBYHG-CBZJRKILSA-N 1 3 386.561 3.748 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000093279846 912161481 /nfs/dbraw/zinc/16/14/81/912161481.db2.gz IYNMZCGKSGLCOI-HSZRJFAPSA-N 1 3 386.511 3.712 20 0 GHADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344585 915164787 /nfs/dbraw/zinc/16/47/87/915164787.db2.gz UVIKWNLVAZUROB-QIJUGHKUSA-N 1 3 379.548 3.901 20 0 GHADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344585 915164793 /nfs/dbraw/zinc/16/47/93/915164793.db2.gz UVIKWNLVAZUROB-QIJUGHKUSA-N 1 3 379.548 3.901 20 0 GHADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000647551242 915321546 /nfs/dbraw/zinc/32/15/46/915321546.db2.gz BYWJRBYIDGWXFK-ATVPRXPUSA-N 1 3 391.313 3.538 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(C[C@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384487 915362298 /nfs/dbraw/zinc/36/22/98/915362298.db2.gz OMMDPDMZBHIOKW-RPWUZVMVSA-N 1 3 375.560 3.609 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(C[C@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384487 915362317 /nfs/dbraw/zinc/36/23/17/915362317.db2.gz OMMDPDMZBHIOKW-RPWUZVMVSA-N 1 3 375.560 3.609 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377959 915643377 /nfs/dbraw/zinc/64/33/77/915643377.db2.gz ZOWBOSVZKVQCHC-SELNLUPBSA-N 1 3 379.548 3.950 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377959 915643385 /nfs/dbraw/zinc/64/33/85/915643385.db2.gz ZOWBOSVZKVQCHC-SELNLUPBSA-N 1 3 379.548 3.950 20 0 GHADHO C[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000293262237 916090604 /nfs/dbraw/zinc/09/06/04/916090604.db2.gz CASLXCQNHBZPQQ-SFHVURJKSA-N 1 3 395.547 3.712 20 0 GHADHO CCCCOc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000650722656 917248493 /nfs/dbraw/zinc/24/84/93/917248493.db2.gz YSLMYXGLSZEKOP-SFHLNBCPSA-N 1 3 376.541 3.735 20 0 GHADHO CCCOc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OCC ZINC000650722195 917248608 /nfs/dbraw/zinc/24/86/08/917248608.db2.gz MYLRHUISWUMFOQ-SBHAEUEKSA-N 1 3 376.541 3.735 20 0 GHADHO Cc1ccc(C[C@H]2CCCN(CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001190682369 917511322 /nfs/dbraw/zinc/51/13/22/917511322.db2.gz HCRSRKSEUOQMQS-VWNXMTODSA-N 1 3 393.575 3.669 20 0 GHADHO CC1(C)C[N@H+](Cc2cc(Cl)cc(CN3CC[C@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000295880403 917572449 /nfs/dbraw/zinc/57/24/49/917572449.db2.gz ZRMXHVDAJNTXHZ-BGYRXZFFSA-N 1 3 394.987 3.526 20 0 GHADHO CC1(C)C[N@@H+](Cc2cc(Cl)cc(CN3CC[C@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000295880403 917572462 /nfs/dbraw/zinc/57/24/62/917572462.db2.gz ZRMXHVDAJNTXHZ-BGYRXZFFSA-N 1 3 394.987 3.526 20 0 GHADHO CC1(C)CN(Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000295880403 917572473 /nfs/dbraw/zinc/57/24/73/917572473.db2.gz ZRMXHVDAJNTXHZ-BGYRXZFFSA-N 1 3 394.987 3.526 20 0 GHADHO CC1(C)CN(Cc2cc(Cl)cc(C[N@H+]3CC[C@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000295880403 917572481 /nfs/dbraw/zinc/57/24/81/917572481.db2.gz ZRMXHVDAJNTXHZ-BGYRXZFFSA-N 1 3 394.987 3.526 20 0 GHADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900684522 920516713 /nfs/dbraw/zinc/51/67/13/920516713.db2.gz AQKVVQZNPLQUJJ-UHFFFAOYSA-N 1 3 380.492 3.620 20 0 GHADHO CC(C)[NH+]1CCN(C2CCN(Cc3cnc(C4CCCC4)s3)CC2)CC1 ZINC000370341538 924047168 /nfs/dbraw/zinc/04/71/68/924047168.db2.gz PPRYMNHSMATYBS-UHFFFAOYSA-N 1 3 376.614 3.791 20 0 GHADHO CCCN(C(=O)c1cccs1)C1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000370757621 924287836 /nfs/dbraw/zinc/28/78/36/924287836.db2.gz OQVJCOHWKURDAH-GOSISDBHSA-N 1 3 377.598 3.939 20 0 GHADHO C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CCN3Cc3cc4ccccc4[nH]3)O2)CC1 ZINC001137315737 924539501 /nfs/dbraw/zinc/53/95/01/924539501.db2.gz KTOAZCMCIGTONZ-GMKZXUHWSA-N 1 3 397.563 3.648 20 0 GHADHO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000678772532 924916372 /nfs/dbraw/zinc/91/63/72/924916372.db2.gz APGRDFAWCDAUCG-CYFREDJKSA-N 1 3 391.559 3.925 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000680001178 925327763 /nfs/dbraw/zinc/32/77/63/925327763.db2.gz JZKNLVZHCLZVMK-QGZVFWFLSA-N 1 3 396.457 3.679 20 0 GHADHO CN1CC[C@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)[C@H]1c1ccccc1 ZINC000682654937 926198210 /nfs/dbraw/zinc/19/82/10/926198210.db2.gz VQPDUDSLYXQRAT-FCHUYYIVSA-N 1 3 396.535 3.584 20 0 GHADHO CCCC[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000411466852 926415402 /nfs/dbraw/zinc/41/54/02/926415402.db2.gz TYUQAKQRUKVDBO-NRFANRHFSA-N 1 3 375.557 3.505 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411788227 926773194 /nfs/dbraw/zinc/77/31/94/926773194.db2.gz GJCVSYSXXWCPSS-KSZLIROESA-N 1 3 375.582 3.744 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411788227 926773201 /nfs/dbraw/zinc/77/32/01/926773201.db2.gz GJCVSYSXXWCPSS-KSZLIROESA-N 1 3 375.582 3.744 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000749587275 927203918 /nfs/dbraw/zinc/20/39/18/927203918.db2.gz HENFLHZGKNIVQR-CUWPLCDZSA-N 1 3 387.568 3.585 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000749587275 927203930 /nfs/dbraw/zinc/20/39/30/927203930.db2.gz HENFLHZGKNIVQR-CUWPLCDZSA-N 1 3 387.568 3.585 20 0 GHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751080478 928018884 /nfs/dbraw/zinc/01/88/84/928018884.db2.gz NOWXTDWVFFJBLV-VNXZQDSDSA-N 1 3 398.595 3.920 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000757727343 929783909 /nfs/dbraw/zinc/78/39/09/929783909.db2.gz HBGIOOVEZHVOJT-JYUKWDKTSA-N 1 3 398.595 3.746 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(c3nccc(C)n3)CC2)CC1 ZINC000757927174 929858983 /nfs/dbraw/zinc/85/89/83/929858983.db2.gz BIYRNVYONBPTEM-UHFFFAOYSA-N 1 3 393.579 3.697 20 0 GHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469440744 929890031 /nfs/dbraw/zinc/89/00/31/929890031.db2.gz MNKJLJQSFOHVLJ-VXKWHMMOSA-N 1 3 388.600 3.516 20 0 GHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469440744 929890035 /nfs/dbraw/zinc/89/00/35/929890035.db2.gz MNKJLJQSFOHVLJ-VXKWHMMOSA-N 1 3 388.600 3.516 20 0 GHADHO CN(C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470896294 931007778 /nfs/dbraw/zinc/00/77/78/931007778.db2.gz FCPNWSDJHRGKBQ-XZOQPEGZSA-N 1 3 398.595 3.557 20 0 GHADHO CN(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470896294 931007785 /nfs/dbraw/zinc/00/77/85/931007785.db2.gz FCPNWSDJHRGKBQ-XZOQPEGZSA-N 1 3 398.595 3.557 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1)C(C)C ZINC000557203220 931270616 /nfs/dbraw/zinc/27/06/16/931270616.db2.gz HNJUWKBSMDOQRR-QHCPKHFHSA-N 1 3 397.563 3.958 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1)C(C)C ZINC000557203220 931270621 /nfs/dbraw/zinc/27/06/21/931270621.db2.gz HNJUWKBSMDOQRR-QHCPKHFHSA-N 1 3 397.563 3.958 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)C[C@H]3c3ccco3)CC2)CC1 ZINC000557634526 931585808 /nfs/dbraw/zinc/58/58/08/931585808.db2.gz HXTMCPVWLVNNCC-RXVVDRJESA-N 1 3 387.568 3.776 20 0 GHADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCNC[C@@H]3C3CCCC3)CC2)cs1 ZINC000925572488 931826927 /nfs/dbraw/zinc/82/69/27/931826927.db2.gz JBPWMQABQYIMTO-RTWAWAEBSA-N 1 3 390.641 3.675 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000927154297 932434156 /nfs/dbraw/zinc/43/41/56/932434156.db2.gz DORTWSMZUBSPBD-XFASLETNSA-N 1 3 376.544 3.722 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000927154297 932434159 /nfs/dbraw/zinc/43/41/59/932434159.db2.gz DORTWSMZUBSPBD-XFASLETNSA-N 1 3 376.544 3.722 20 0 GHADHO OC[C@@]1(c2ccccc2)C[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000927154297 932434162 /nfs/dbraw/zinc/43/41/62/932434162.db2.gz DORTWSMZUBSPBD-XFASLETNSA-N 1 3 376.544 3.722 20 0 GHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000559890376 932925066 /nfs/dbraw/zinc/92/50/66/932925066.db2.gz FLFIGAYZKFJWGM-RJGXRXQPSA-N 1 3 398.591 3.853 20 0 GHADHO Cc1ccncc1CCC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000560598184 933373039 /nfs/dbraw/zinc/37/30/39/933373039.db2.gz RYHKTNMSGAHGMQ-XMMPIXPASA-N 1 3 393.575 3.841 20 0 GHADHO CC(C)C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000561159011 933925195 /nfs/dbraw/zinc/92/51/95/933925195.db2.gz MNZUERQTFUCAIL-FQEVSTJZSA-N 1 3 377.960 3.760 20 0 GHADHO C[NH+]1CCC2(CCN(Cc3[nH]nc4ccc(Br)cc43)CC2)CC1 ZINC001139660209 933947104 /nfs/dbraw/zinc/94/71/04/933947104.db2.gz KAVUFUIFIDIJFO-UHFFFAOYSA-N 1 3 377.330 3.633 20 0 GHADHO CCCN1CCCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001117726868 933997353 /nfs/dbraw/zinc/99/73/53/933997353.db2.gz LXWHGQWMDSXCOD-GLCCWIKHSA-N 1 3 383.580 3.953 20 0 GHADHO CCCN1CCCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117726868 933997361 /nfs/dbraw/zinc/99/73/61/933997361.db2.gz LXWHGQWMDSXCOD-GLCCWIKHSA-N 1 3 383.580 3.953 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118198434 934105868 /nfs/dbraw/zinc/10/58/68/934105868.db2.gz NAUKVBCZUGPAQH-RBUKOAKNSA-N 1 3 379.548 3.871 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc(Cl)n1 ZINC000828614714 935676303 /nfs/dbraw/zinc/67/63/03/935676303.db2.gz JYFDBJFXAMOZPO-YJBOKZPZSA-N 1 3 388.943 3.679 20 0 GHADHO Cc1cc(C)cc([C@@H](N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2cccnc2)c1 ZINC000925042697 1017031951 /nfs/dbraw/zinc/03/19/51/1017031951.db2.gz VCKUBIZFICCGIV-VWNXMTODSA-N 1 3 378.564 3.546 20 0 GHADHO CCc1ccc(CN(CC[NH3+])C(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)cc1 ZINC001220905256 1032180295 /nfs/dbraw/zinc/18/02/95/1032180295.db2.gz RKQYFCNFUIQLLP-LJQANCHMSA-N 1 3 393.453 3.645 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001221463376 1032425560 /nfs/dbraw/zinc/42/55/60/1032425560.db2.gz ATPPTGVIQZMCNZ-SLFFLAALSA-N 1 3 388.600 3.563 20 0 GHADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149652 1032603268 /nfs/dbraw/zinc/60/32/68/1032603268.db2.gz WVMZLTCNBWZJNJ-ACIOBRDBSA-N 1 3 393.531 3.601 20 0 GHADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149652 1032603275 /nfs/dbraw/zinc/60/32/75/1032603275.db2.gz WVMZLTCNBWZJNJ-ACIOBRDBSA-N 1 3 393.531 3.601 20 0 GHADHO COc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1OCCO ZINC000559741129 1017494917 /nfs/dbraw/zinc/49/49/17/1017494917.db2.gz ZEAUNLISNRXCCS-YYWHXJBOSA-N 1 3 384.520 3.552 20 0 GHADHO COc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1OCCO ZINC000559741129 1017494924 /nfs/dbraw/zinc/49/49/24/1017494924.db2.gz ZEAUNLISNRXCCS-YYWHXJBOSA-N 1 3 384.520 3.552 20 0 GHADHO c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969687 1017996049 /nfs/dbraw/zinc/99/60/49/1017996049.db2.gz RKCYWXYDGHFNTK-RUZDIDTESA-N 1 3 391.559 3.621 20 0 GHADHO c1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969687 1017996051 /nfs/dbraw/zinc/99/60/51/1017996051.db2.gz RKCYWXYDGHFNTK-RUZDIDTESA-N 1 3 391.559 3.621 20 0 GHADHO CN(C)C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000562754187 1018604493 /nfs/dbraw/zinc/60/44/93/1018604493.db2.gz SIZRKAIEQUGAJC-SFHVURJKSA-N 1 3 380.964 3.505 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3Cc3ccc(C)cc3)CC2)CC1 ZINC000567364652 1019285964 /nfs/dbraw/zinc/28/59/64/1019285964.db2.gz QOYZTTJCOHMENN-DEOSSOPVSA-N 1 3 397.607 3.725 20 0 GHADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3cnc(C4CC4)o3)cc2)C[C@@H]1C ZINC000628231918 1020678691 /nfs/dbraw/zinc/67/86/91/1020678691.db2.gz GKCPBPQJLVTEAS-ROUUACIJSA-N 1 3 383.536 3.851 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCOC23CCOCC3)cc1CN1CCCCC1 ZINC000903388610 1021597761 /nfs/dbraw/zinc/59/77/61/1021597761.db2.gz FOFYHHMGJZXACP-GCJKJVERSA-N 1 3 388.552 3.670 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2c(C)nn(C)c2C)CC3)c1 ZINC001203056953 1022227563 /nfs/dbraw/zinc/22/75/63/1022227563.db2.gz FFVVXYDSJWJWML-UHFFFAOYSA-N 1 3 382.552 3.534 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2c(C)nn(C)c2C)CC3)c1 ZINC001203056953 1022227573 /nfs/dbraw/zinc/22/75/73/1022227573.db2.gz FFVVXYDSJWJWML-UHFFFAOYSA-N 1 3 382.552 3.534 20 0 GHADHO C[N@H+](CCN1CCN(C[C@@]2(C)C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC001204756760 1033068086 /nfs/dbraw/zinc/06/80/86/1033068086.db2.gz OKQWCBOMJJGEDO-JWQCQUIFSA-N 1 3 377.576 3.930 20 0 GHADHO C[N@@H+](CCN1CCN(C[C@@]2(C)C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC001204756760 1033068098 /nfs/dbraw/zinc/06/80/98/1033068098.db2.gz OKQWCBOMJJGEDO-JWQCQUIFSA-N 1 3 377.576 3.930 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC001141366734 1024735503 /nfs/dbraw/zinc/73/55/03/1024735503.db2.gz ZOIXDDBPJSPIGG-NHCUHLMSSA-N 1 3 389.609 3.925 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC001141366734 1024735516 /nfs/dbraw/zinc/73/55/16/1024735516.db2.gz ZOIXDDBPJSPIGG-NHCUHLMSSA-N 1 3 389.609 3.925 20 0 GHADHO COc1cc(C)ccc1OC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138772929 1025343177 /nfs/dbraw/zinc/34/31/77/1025343177.db2.gz KOAIKPNLHUIFSH-UHFFFAOYSA-N 1 3 398.547 3.987 20 0 GHADHO Fc1ccc(-c2n[nH]cc2CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC001461196749 1069437061 /nfs/dbraw/zinc/43/70/61/1069437061.db2.gz SOPVWAWDWREQCF-UHFFFAOYSA-N 1 3 394.494 3.980 20 0 GHADHO C[C@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001141775452 1027214087 /nfs/dbraw/zinc/21/40/87/1027214087.db2.gz PGLNPZPMUKTXDY-FDDCHVKYSA-N 1 3 386.499 3.640 20 0 GHADHO C[C@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001141775452 1027214104 /nfs/dbraw/zinc/21/41/04/1027214104.db2.gz PGLNPZPMUKTXDY-FDDCHVKYSA-N 1 3 386.499 3.640 20 0 GHADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cccc(F)c1)CC2 ZINC001203786488 1027604358 /nfs/dbraw/zinc/60/43/58/1027604358.db2.gz ZKRMPYMGWYROMP-JOCHJYFZSA-N 1 3 383.511 3.724 20 0 GHADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cccc(F)c1)CC2 ZINC001203786488 1027604369 /nfs/dbraw/zinc/60/43/69/1027604369.db2.gz ZKRMPYMGWYROMP-JOCHJYFZSA-N 1 3 383.511 3.724 20 0 GHADHO COc1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)ccc1OCc1ccc(F)cc1 ZINC001204089774 1027866755 /nfs/dbraw/zinc/86/67/55/1027866755.db2.gz QOOCNDHSOVZVEM-HMXCVIKNSA-N 1 3 384.495 3.843 20 0 GHADHO CN(C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)C1CCC([NH3+])CC1 ZINC000841258309 1028344896 /nfs/dbraw/zinc/34/48/96/1028344896.db2.gz IUSPHGXFUFNFSG-UHFFFAOYSA-N 1 3 394.947 3.547 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)cc(Cl)n1 ZINC000841850397 1028976697 /nfs/dbraw/zinc/97/66/97/1028976697.db2.gz RBRFTNFBXUEIMD-AWEZNQCLSA-N 1 3 386.805 3.550 20 0 GHADHO CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2CNCc3ccccc32)n1 ZINC000843200009 1029845379 /nfs/dbraw/zinc/84/53/79/1029845379.db2.gz GNUJLNKFUBXOHA-FQEVSTJZSA-N 1 3 392.503 3.692 20 0 GHADHO Fc1ccc2c(c1)C1(CN2)CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001222330729 1030076843 /nfs/dbraw/zinc/07/68/43/1030076843.db2.gz KDSBZNKZDRHEPH-UHFFFAOYSA-N 1 3 390.506 3.843 20 0 GHADHO Cc1cc(-c2cccc(Cl)c2)ncc1CN1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407398 1030111160 /nfs/dbraw/zinc/11/11/60/1030111160.db2.gz HTAVJGWILDNLLC-UHFFFAOYSA-N 1 3 385.939 3.912 20 0 GHADHO CC1(C)C[C@H](C[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CCO1 ZINC001222576213 1030207075 /nfs/dbraw/zinc/20/70/75/1030207075.db2.gz RWYPQIQYQHSSBC-YADHBBJMSA-N 1 3 386.580 3.995 20 0 GHADHO CC1(C)C[C@H](C[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CCO1 ZINC001222576213 1030207093 /nfs/dbraw/zinc/20/70/93/1030207093.db2.gz RWYPQIQYQHSSBC-YADHBBJMSA-N 1 3 386.580 3.995 20 0 GHADHO Clc1ccc(Cn2cc(CN3CC[C@H]4C[NH2+]CC[C@H]43)c3ccccc32)cn1 ZINC001222620739 1030244976 /nfs/dbraw/zinc/24/49/76/1030244976.db2.gz YWXXMCDSRGHYLK-FXAWDEMLSA-N 1 3 380.923 3.922 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)c2ccccc2)CC1 ZINC001224305739 1030962324 /nfs/dbraw/zinc/96/23/24/1030962324.db2.gz GKZFGKXLAURVON-NRFANRHFSA-N 1 3 388.600 3.689 20 0 GHADHO Cc1cccc2c1C1(C[C@@H]2CC(=O)Nc2cc([C@@H]3CCCN3)no2)CC[NH2+]CC1 ZINC001218713724 1031044546 /nfs/dbraw/zinc/04/45/46/1031044546.db2.gz UTNXNUNNEALZKZ-WMZOPIPTSA-N 1 3 394.519 3.545 20 0 GHADHO CCCC[C@H]([NH2+]C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001218843884 1031110739 /nfs/dbraw/zinc/11/07/39/1031110739.db2.gz HCSVFUNKOYURFK-QHCPKHFHSA-N 1 3 394.563 3.726 20 0 GHADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001224900923 1031169001 /nfs/dbraw/zinc/16/90/01/1031169001.db2.gz WIDXXALSGOPBBU-NNWRFLSQSA-N 1 3 386.584 3.632 20 0 GHADHO C[NH2+]C1CCC(C(=O)Nc2cccc3c2CN(C)C[C@@H]3c2ccccc2)CC1 ZINC001219047165 1031229741 /nfs/dbraw/zinc/22/97/41/1031229741.db2.gz REIROJWIRDPLQA-GZNCHQMQSA-N 1 3 377.532 3.981 20 0 GHADHO O=C(Nc1cccc2cc[nH]c21)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219110084 1031256342 /nfs/dbraw/zinc/25/63/42/1031256342.db2.gz LOGOSNOYDUHBIB-HYBUGGRVSA-N 1 3 388.515 3.608 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220062307 1031761739 /nfs/dbraw/zinc/76/17/39/1031761739.db2.gz UKVLIHFHPNNSOU-CVDCTZTESA-N 1 3 379.548 3.604 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220062307 1031761755 /nfs/dbraw/zinc/76/17/55/1031761755.db2.gz UKVLIHFHPNNSOU-CVDCTZTESA-N 1 3 379.548 3.604 20 0 GHADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCCCC1 ZINC001220477696 1031957646 /nfs/dbraw/zinc/95/76/46/1031957646.db2.gz MHOWWOZOWKXLLP-NRFANRHFSA-N 1 3 386.584 3.605 20 0 GHADHO [NH3+]CCN(C(=O)[C@@H]1CCC[C@H](c2ccccc2)N1)C12CC3CC(CC(C3)C1)C2 ZINC001220538292 1031981881 /nfs/dbraw/zinc/98/18/81/1031981881.db2.gz JFVUHXWVSSAECN-QRKPJFMPSA-N 1 3 381.564 3.626 20 0 GHADHO Clc1ncc(Br)cc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC001461831352 1069777486 /nfs/dbraw/zinc/77/74/86/1069777486.db2.gz RETHWPMNYHRKFB-UHFFFAOYSA-N 1 3 381.705 3.651 20 0 GHADHO CC(C)[C@@H](CNC(=O)N1CCN(C2CCC(C)CC2)CC1)[NH+]1CCC(C)CC1 ZINC001220611456 1032011199 /nfs/dbraw/zinc/01/11/99/1032011199.db2.gz SUDPCSZDOAYSNF-KITAHSCOSA-N 1 3 392.632 3.649 20 0 GHADHO COc1ccc(CN(c2ccc(CN3CCCC3)cn2)C2CC[NH2+]CC2)cc1F ZINC001158010110 1033867491 /nfs/dbraw/zinc/86/74/91/1033867491.db2.gz DOUDJRIVYMJCPU-UHFFFAOYSA-N 1 3 398.526 3.584 20 0 GHADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001158031001 1033871947 /nfs/dbraw/zinc/87/19/47/1033871947.db2.gz CWYJCHAZMXKNTN-ZJSXRUAMSA-N 1 3 385.596 3.626 20 0 GHADHO O=C(OCc1ccccc1)N1CC[C@@H](NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207185566 1034154615 /nfs/dbraw/zinc/15/46/15/1034154615.db2.gz PEFNAMACLNGPEI-IRLDBZIGSA-N 1 3 385.552 3.784 20 0 GHADHO O=C(OCc1ccccc1)N1CC[C@@H](NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207185566 1034154620 /nfs/dbraw/zinc/15/46/20/1034154620.db2.gz PEFNAMACLNGPEI-IRLDBZIGSA-N 1 3 385.552 3.784 20 0 GHADHO CC[N@H+](CCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C1CCCCC1 ZINC001230686843 1034179669 /nfs/dbraw/zinc/17/96/69/1034179669.db2.gz RZQWAMQDBQJTGF-NRFANRHFSA-N 1 3 392.563 3.772 20 0 GHADHO CC[N@@H+](CCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C1CCCCC1 ZINC001230686843 1034179689 /nfs/dbraw/zinc/17/96/89/1034179689.db2.gz RZQWAMQDBQJTGF-NRFANRHFSA-N 1 3 392.563 3.772 20 0 GHADHO CN(C)CC(C)(C)C[NH+]1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001207282399 1034234621 /nfs/dbraw/zinc/23/46/21/1034234621.db2.gz PTMNPXCRALBJLK-UHFFFAOYSA-N 1 3 383.580 3.755 20 0 GHADHO C[NH+](C)CC(C)(C)CN1CCC2(C[C@@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC001207280794 1034236013 /nfs/dbraw/zinc/23/60/13/1034236013.db2.gz WCPNHNKZETUPJJ-LJQANCHMSA-N 1 3 397.607 3.764 20 0 GHADHO CC(C)(C)OC(=O)NCC1(C)CN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292860 1034245119 /nfs/dbraw/zinc/24/51/19/1034245119.db2.gz CGERLRQGWQTDNM-UHFFFAOYSA-N 1 3 387.568 3.745 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCc1cccc(Cl)c1)C2 ZINC001207588744 1034467954 /nfs/dbraw/zinc/46/79/54/1034467954.db2.gz VMLCDKKDHZAIOE-IRLDBZIGSA-N 1 3 376.972 3.953 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCc1cccc(Cl)c1)C2 ZINC001207588744 1034467958 /nfs/dbraw/zinc/46/79/58/1034467958.db2.gz VMLCDKKDHZAIOE-IRLDBZIGSA-N 1 3 376.972 3.953 20 0 GHADHO COC(=O)c1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)ccc1O ZINC001231418329 1034569637 /nfs/dbraw/zinc/56/96/37/1034569637.db2.gz QTNURBLZEAIGGT-SFTDATJTSA-N 1 3 394.515 3.523 20 0 GHADHO COC(=O)c1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)ccc1O ZINC001231418329 1034569638 /nfs/dbraw/zinc/56/96/38/1034569638.db2.gz QTNURBLZEAIGGT-SFTDATJTSA-N 1 3 394.515 3.523 20 0 GHADHO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2cccc(CN3CCN(C)CC3)c2)C1 ZINC001159391301 1034576025 /nfs/dbraw/zinc/57/60/25/1034576025.db2.gz QPNCLWWBHRQKST-CEWLAPEOSA-N 1 3 393.579 3.804 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4cc(F)ccc43)c3ccccc23)CC1 ZINC001159460666 1034606111 /nfs/dbraw/zinc/60/61/11/1034606111.db2.gz XFJWGOUOBVBTTL-UHFFFAOYSA-N 1 3 389.478 3.678 20 0 GHADHO CCc1cc(Cl)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159466059 1034608000 /nfs/dbraw/zinc/60/80/00/1034608000.db2.gz CIUHWKGUZKVNGI-UHFFFAOYSA-N 1 3 383.927 3.602 20 0 GHADHO CN1C(=O)C[C@H](c2ccccc2)C12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208192721 1034788196 /nfs/dbraw/zinc/78/81/96/1034788196.db2.gz XNVROHSDFPJSDN-OAQYLSRUSA-N 1 3 383.580 3.589 20 0 GHADHO Cc1c[nH+]ccc1N1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208235689 1034824841 /nfs/dbraw/zinc/82/48/41/1034824841.db2.gz QXVYZNSMWWOKBA-LJQANCHMSA-N 1 3 388.556 3.549 20 0 GHADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCC(C)(C)c3ccccc3)CC[C@@H]21 ZINC001208666524 1034974945 /nfs/dbraw/zinc/97/49/45/1034974945.db2.gz OAEIHNPIQSBKPS-PUHATCMVSA-N 1 3 395.595 3.819 20 0 GHADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCC(C)(C)c3ccccc3)CC[C@@H]21 ZINC001208666524 1034974947 /nfs/dbraw/zinc/97/49/47/1034974947.db2.gz OAEIHNPIQSBKPS-PUHATCMVSA-N 1 3 395.595 3.819 20 0 GHADHO C[C@@]1(CC(=O)N(Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC001160680554 1035033110 /nfs/dbraw/zinc/03/31/10/1035033110.db2.gz UNQNZAVTGIOYJT-NOZRDPDXSA-N 1 3 391.559 3.679 20 0 GHADHO Cc1ccc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)n1 ZINC001232081730 1035083419 /nfs/dbraw/zinc/08/34/19/1035083419.db2.gz FTEXNKIRGYAHQS-HSZRJFAPSA-N 1 3 379.548 3.954 20 0 GHADHO Cc1ccc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)n1 ZINC001232081730 1035083427 /nfs/dbraw/zinc/08/34/27/1035083427.db2.gz FTEXNKIRGYAHQS-HSZRJFAPSA-N 1 3 379.548 3.954 20 0 GHADHO c1ccc(N2CCC(CN3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)CC2)cc1 ZINC001208909406 1035085447 /nfs/dbraw/zinc/08/54/47/1035085447.db2.gz YYRFDRWFLOHNNG-UKILVPOCSA-N 1 3 397.607 3.726 20 0 GHADHO c1ccc(N2CCC(CN3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)CC2)cc1 ZINC001208909406 1035085455 /nfs/dbraw/zinc/08/54/55/1035085455.db2.gz YYRFDRWFLOHNNG-UKILVPOCSA-N 1 3 397.607 3.726 20 0 GHADHO c1ccc(N2CCC(C[N@@H+]3C[C@@H]4CN(CC5CCCC5)CCO[C@@H]4C3)CC2)cc1 ZINC001208909406 1035085466 /nfs/dbraw/zinc/08/54/66/1035085466.db2.gz YYRFDRWFLOHNNG-UKILVPOCSA-N 1 3 397.607 3.726 20 0 GHADHO c1ccc(N2CCC(C[N@H+]3C[C@@H]4CN(CC5CCCC5)CCO[C@@H]4C3)CC2)cc1 ZINC001208909406 1035085475 /nfs/dbraw/zinc/08/54/75/1035085475.db2.gz YYRFDRWFLOHNNG-UKILVPOCSA-N 1 3 397.607 3.726 20 0 GHADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)c2cccc([C@H](C)[NH3+])c2)cc1 ZINC001160958354 1035105642 /nfs/dbraw/zinc/10/56/42/1035105642.db2.gz VHYLIEDIJGCBKB-AVRDEDQJSA-N 1 3 395.547 3.842 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208951275 1035122512 /nfs/dbraw/zinc/12/25/12/1035122512.db2.gz AYPBGJFYYATDGR-HMXCVIKNSA-N 1 3 387.568 3.744 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208951275 1035122514 /nfs/dbraw/zinc/12/25/14/1035122514.db2.gz AYPBGJFYYATDGR-HMXCVIKNSA-N 1 3 387.568 3.744 20 0 GHADHO COC(=O)C[C@@H](C)N(Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208958085 1035128924 /nfs/dbraw/zinc/12/89/24/1035128924.db2.gz OAMXWDTWEVOABE-NFBKMPQASA-N 1 3 380.532 3.962 20 0 GHADHO COC(=O)C[C@@H](C)N(Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208958085 1035128929 /nfs/dbraw/zinc/12/89/29/1035128929.db2.gz OAMXWDTWEVOABE-NFBKMPQASA-N 1 3 380.532 3.962 20 0 GHADHO C[C@H]1[C@@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232015 1035186919 /nfs/dbraw/zinc/18/69/19/1035186919.db2.gz WYAINZVDKWQZAB-MXBUBSDBSA-N 1 3 391.559 3.695 20 0 GHADHO C[C@H]1[C@@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232015 1035186925 /nfs/dbraw/zinc/18/69/25/1035186925.db2.gz WYAINZVDKWQZAB-MXBUBSDBSA-N 1 3 391.559 3.695 20 0 GHADHO CN(CCCN(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001209140952 1035190716 /nfs/dbraw/zinc/19/07/16/1035190716.db2.gz GLGBCPWHYKKHBH-UHFFFAOYSA-N 1 3 393.547 3.979 20 0 GHADHO CN(C)CCN(C(=O)c1ccccc1-c1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001161448657 1035232991 /nfs/dbraw/zinc/23/29/91/1035232991.db2.gz FOIXLJAUJSTXNR-IBGZPJMESA-N 1 3 385.939 3.763 20 0 GHADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001161455019 1035234040 /nfs/dbraw/zinc/23/40/40/1035234040.db2.gz BNDAYSNZYJEPAP-ZWKOTPCHSA-N 1 3 385.474 3.818 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cc5c(cn4)OCCC5)CC[C@H]3C2)cc1 ZINC001209508087 1035296685 /nfs/dbraw/zinc/29/66/85/1035296685.db2.gz ZIRHSWKLNHJHTL-VXKWHMMOSA-N 1 3 377.532 3.751 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H]3CN(Cc4cc5c(cn4)OCCC5)CC[C@H]3C2)cc1 ZINC001209508087 1035296692 /nfs/dbraw/zinc/29/66/92/1035296692.db2.gz ZIRHSWKLNHJHTL-VXKWHMMOSA-N 1 3 377.532 3.751 20 0 GHADHO COc1c(F)cc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1Cl ZINC001278340831 1035803648 /nfs/dbraw/zinc/80/36/48/1035803648.db2.gz XLMOXEHQXDDATP-UXHICEINSA-N 1 3 383.939 3.574 20 0 GHADHO CCN1CCN(Cc2ccc(Nc3ccc(OCCC[NH+](C)C)cc3)cc2)CC1 ZINC001248413833 1035832989 /nfs/dbraw/zinc/83/29/89/1035832989.db2.gz JTEVKNIWRWTZOY-UHFFFAOYSA-N 1 3 396.579 3.898 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3cccc(-c4ccc(Cl)cc4)n3)CC2)CC1 ZINC001248524001 1035931984 /nfs/dbraw/zinc/93/19/84/1035931984.db2.gz KTTRUUJGSGHOST-UHFFFAOYSA-N 1 3 398.982 3.861 20 0 GHADHO C[C@H](c1ccccc1)[N@H+](C[C@]1(O)CCCNC1)[C@@H]1CC[C@@H]1OCc1ccccc1 ZINC001246058748 1037172447 /nfs/dbraw/zinc/17/24/47/1037172447.db2.gz GLBXELXYUUEJJI-GATIMQMVSA-N 1 3 394.559 3.912 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CCCNC1)[C@@H]1CC[C@@H]1OCc1ccccc1 ZINC001246058748 1037172456 /nfs/dbraw/zinc/17/24/56/1037172456.db2.gz GLBXELXYUUEJJI-GATIMQMVSA-N 1 3 394.559 3.912 20 0 GHADHO OC1(C[NH+]2CCC3(Cc4ccccc4N3)CC2)CCN(Cc2ccccc2)CC1 ZINC001246062162 1037172494 /nfs/dbraw/zinc/17/24/94/1037172494.db2.gz XLUSSPXPAPLGBZ-UHFFFAOYSA-N 1 3 391.559 3.516 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H](NCCC(=O)N2CCCc3ccccc32)CC[NH2+]1 ZINC001246278218 1037273669 /nfs/dbraw/zinc/27/36/69/1037273669.db2.gz LGBWLHWWFQZKCR-IRLDBZIGSA-N 1 3 395.522 3.886 20 0 GHADHO COc1ccccc1CN1CC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246360819 1037320712 /nfs/dbraw/zinc/32/07/12/1037320712.db2.gz IILIUSYQZSXOGU-GIWBLDEGSA-N 1 3 397.538 3.800 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380509 1037339406 /nfs/dbraw/zinc/33/94/06/1037339406.db2.gz HREAPEVWIIMTNP-IBGZPJMESA-N 1 3 384.495 3.830 20 0 GHADHO FC(F)(F)c1ccc(C2([NH2+][C@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246420759 1037377506 /nfs/dbraw/zinc/37/75/06/1037377506.db2.gz GBTBMPOGWYBXMR-GJZGRUSLSA-N 1 3 395.391 3.557 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246422686 1037381551 /nfs/dbraw/zinc/38/15/51/1037381551.db2.gz MSHPBAXHBMXMCV-QAPCUYQASA-N 1 3 398.469 3.996 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H](NC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)C1 ZINC001246431026 1037392326 /nfs/dbraw/zinc/39/23/26/1037392326.db2.gz XRRVUKHRFGGEMH-MJGOQNOKSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246431026 1037392331 /nfs/dbraw/zinc/39/23/31/1037392331.db2.gz XRRVUKHRFGGEMH-MJGOQNOKSA-N 1 3 378.944 3.716 20 0 GHADHO CC[C@@H]1C[C@@H](NC[C@H]2COc3ccc(Br)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246508946 1037448331 /nfs/dbraw/zinc/44/83/31/1037448331.db2.gz GZNAGQRZSDSRMO-RUGDWHBFSA-N 1 3 381.358 3.899 20 0 GHADHO c1ccc(COc2ccc3c(c2)C[C@H](N2CCOC4(CC[NH2+]CC4)C2)CC3)cc1 ZINC001246608063 1037502771 /nfs/dbraw/zinc/50/27/71/1037502771.db2.gz VRPHUJVCEGXEDA-HSZRJFAPSA-N 1 3 392.543 3.577 20 0 GHADHO C[C@@H]1C[C@H](N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)CN1Cc1ccccc1 ZINC001246624377 1037514602 /nfs/dbraw/zinc/51/46/02/1037514602.db2.gz DSABPUGYFHYJGW-NEWSRXKRSA-N 1 3 381.486 3.656 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001246628719 1037515481 /nfs/dbraw/zinc/51/54/81/1037515481.db2.gz CSARDHNLBMCDGR-LJQANCHMSA-N 1 3 398.497 3.968 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001246628719 1037515497 /nfs/dbraw/zinc/51/54/97/1037515497.db2.gz CSARDHNLBMCDGR-LJQANCHMSA-N 1 3 398.497 3.968 20 0 GHADHO CC(C)(C)[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246761664 1037603612 /nfs/dbraw/zinc/60/36/12/1037603612.db2.gz ULEYXXBWRHSNSO-DBJGNFRESA-N 1 3 387.543 3.889 20 0 GHADHO CC(C)(C)[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246761664 1037603627 /nfs/dbraw/zinc/60/36/27/1037603627.db2.gz ULEYXXBWRHSNSO-DBJGNFRESA-N 1 3 387.543 3.889 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246795702 1037633238 /nfs/dbraw/zinc/63/32/38/1037633238.db2.gz KBZXSPJSBKWCOQ-JXALWOEJSA-N 1 3 381.564 3.698 20 0 GHADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879239 1037694174 /nfs/dbraw/zinc/69/41/74/1037694174.db2.gz NILZYCWEPNIGIS-SCWSEQNSSA-N 1 3 390.449 3.989 20 0 GHADHO COC(=O)CC1CCC(N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246954059 1037761633 /nfs/dbraw/zinc/76/16/33/1037761633.db2.gz GBNVIKWGVQMAAG-UHFFFAOYSA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)CC1CCC([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954059 1037761652 /nfs/dbraw/zinc/76/16/52/1037761652.db2.gz GBNVIKWGVQMAAG-UHFFFAOYSA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)CC1CCC([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954059 1037761674 /nfs/dbraw/zinc/76/16/74/1037761674.db2.gz GBNVIKWGVQMAAG-UHFFFAOYSA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)[C@@H]2CCc3cc(F)ccc3C2)c1 ZINC001246956868 1037768928 /nfs/dbraw/zinc/76/89/28/1037768928.db2.gz IBOHDXJVCYBEAZ-HSZRJFAPSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)[C@@H]2CCc3cc(F)ccc3C2)c1 ZINC001246956868 1037768947 /nfs/dbraw/zinc/76/89/47/1037768947.db2.gz IBOHDXJVCYBEAZ-HSZRJFAPSA-N 1 3 396.506 3.724 20 0 GHADHO COC(=O)c1cccc(CN(C2CC[NH2+]CC2)[C@@H]2CCc3cc(F)ccc3C2)c1 ZINC001246956868 1037768964 /nfs/dbraw/zinc/76/89/64/1037768964.db2.gz IBOHDXJVCYBEAZ-HSZRJFAPSA-N 1 3 396.506 3.724 20 0 GHADHO c1ccc(CN2CCN(c3ccc4[nH]c(C[C@@H]5CCCC[NH2+]5)nc4c3)CC2)cc1 ZINC001247010362 1037836042 /nfs/dbraw/zinc/83/60/42/1037836042.db2.gz IMOKJJNMBAZEFV-FQEVSTJZSA-N 1 3 389.547 3.570 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cncc3cnccc31)CC2 ZINC001232649520 1038438209 /nfs/dbraw/zinc/43/82/09/1038438209.db2.gz AMVAFYUNZVYOIV-UHFFFAOYSA-N 1 3 387.531 3.901 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cncc3cnccc31)CC2 ZINC001232649520 1038438211 /nfs/dbraw/zinc/43/82/11/1038438211.db2.gz AMVAFYUNZVYOIV-UHFFFAOYSA-N 1 3 387.531 3.901 20 0 GHADHO COC(=O)c1cc(CN2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)ccn1 ZINC001232769219 1038543846 /nfs/dbraw/zinc/54/38/46/1038543846.db2.gz HIYKEWQLWVXBOQ-UHFFFAOYSA-N 1 3 399.560 3.808 20 0 GHADHO CC[NH+]1CCC(CC2CCN(Cc3cc(Br)c[nH]c3=O)CC2)CC1 ZINC001233187616 1038957343 /nfs/dbraw/zinc/95/73/43/1038957343.db2.gz HBSGXMANSPIZNL-UHFFFAOYSA-N 1 3 396.373 3.884 20 0 GHADHO CN(Cc1ccccc1)C1CC[NH+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001253276002 1039522928 /nfs/dbraw/zinc/52/29/28/1039522928.db2.gz ZMVCIZCBYPEYCQ-DEOSSOPVSA-N 1 3 382.548 3.551 20 0 GHADHO Cc1ccc(OC[C@@H](O)CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001253830312 1039837731 /nfs/dbraw/zinc/83/77/31/1039837731.db2.gz DAWGKYGGUCJCEW-KECVZHQQSA-N 1 3 396.575 3.630 20 0 GHADHO Cc1ccc(OC[C@@H](O)CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001253830312 1039837750 /nfs/dbraw/zinc/83/77/50/1039837750.db2.gz DAWGKYGGUCJCEW-KECVZHQQSA-N 1 3 396.575 3.630 20 0 GHADHO OC1(CNCc2cccc(C(F)(F)F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC001254048398 1039974525 /nfs/dbraw/zinc/97/45/25/1039974525.db2.gz MADTUEBAUZSPEN-UHFFFAOYSA-N 1 3 396.428 3.961 20 0 GHADHO COc1cc(NC(=O)[C@@H]([NH2+][C@@H]2CCCN(C)CC2)C(C)C)cc2ccccc21 ZINC001254514374 1040291137 /nfs/dbraw/zinc/29/11/37/1040291137.db2.gz KXDFQCJNEABVSU-GCJKJVERSA-N 1 3 383.536 3.885 20 0 GHADHO Fc1ccc(N2CCC([NH2+]CC3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC001254619362 1040390701 /nfs/dbraw/zinc/39/07/01/1040390701.db2.gz FPHGEBFDKNPPPW-UHFFFAOYSA-N 1 3 382.527 3.691 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895427 1040650284 /nfs/dbraw/zinc/65/02/84/1040650284.db2.gz VCVUQVKCWLQTDB-MJUUVYJYSA-N 1 3 387.568 3.729 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895427 1040650290 /nfs/dbraw/zinc/65/02/90/1040650290.db2.gz VCVUQVKCWLQTDB-MJUUVYJYSA-N 1 3 387.568 3.729 20 0 GHADHO O[C@@H](CF)CN[C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075839 1040767163 /nfs/dbraw/zinc/76/71/63/1040767163.db2.gz JEIZSYINIIIKRB-UEQSERJNSA-N 1 3 382.523 3.671 20 0 GHADHO O[C@@H](CF)CN[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075839 1040767178 /nfs/dbraw/zinc/76/71/78/1040767178.db2.gz JEIZSYINIIIKRB-UEQSERJNSA-N 1 3 382.523 3.671 20 0 GHADHO c1ccc(CN2CC[C@@H](N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001255112012 1040795809 /nfs/dbraw/zinc/79/58/09/1040795809.db2.gz HRMPUECUJXVCRT-SDHSZQHLSA-N 1 3 375.560 3.857 20 0 GHADHO c1ccc(CN2CC[C@@H](N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001255112012 1040795819 /nfs/dbraw/zinc/79/58/19/1040795819.db2.gz HRMPUECUJXVCRT-SDHSZQHLSA-N 1 3 375.560 3.857 20 0 GHADHO CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255140859 1040848141 /nfs/dbraw/zinc/84/81/41/1040848141.db2.gz RKSPTASNHLNSQY-UDIRQSBCSA-N 1 3 384.564 3.842 20 0 GHADHO CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255140859 1040848155 /nfs/dbraw/zinc/84/81/55/1040848155.db2.gz RKSPTASNHLNSQY-UDIRQSBCSA-N 1 3 384.564 3.842 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCc4ncnc(C5CC5)c4CC2)C3)cc1 ZINC001255144412 1040857582 /nfs/dbraw/zinc/85/75/82/1040857582.db2.gz SGUWLZGKQLKHGB-ZBYYUNFXSA-N 1 3 388.559 3.950 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCc4ncnc(C5CC5)c4CC2)C3)cc1 ZINC001255144412 1040857588 /nfs/dbraw/zinc/85/75/88/1040857588.db2.gz SGUWLZGKQLKHGB-ZBYYUNFXSA-N 1 3 388.559 3.950 20 0 GHADHO COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Cc2ccccc21 ZINC001255151786 1040874971 /nfs/dbraw/zinc/87/49/71/1040874971.db2.gz YGQVVNLSQVPNQQ-JTOYRKQZSA-N 1 3 390.527 3.954 20 0 GHADHO COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Cc2ccccc21 ZINC001255151786 1040874974 /nfs/dbraw/zinc/87/49/74/1040874974.db2.gz YGQVVNLSQVPNQQ-JTOYRKQZSA-N 1 3 390.527 3.954 20 0 GHADHO Cc1cc(-c2cccc(Cl)c2)ncc1CN1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235377892 1040893188 /nfs/dbraw/zinc/89/31/88/1040893188.db2.gz FYSVTTWHZVBJQL-SYYKKAFVSA-N 1 3 383.923 3.663 20 0 GHADHO Cc1cc(-c2cccc(Cl)c2)ncc1CN1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235377891 1040893940 /nfs/dbraw/zinc/89/39/40/1040893940.db2.gz FYSVTTWHZVBJQL-CZTZKLFOSA-N 1 3 383.923 3.663 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(N)(c3ccccc3Cl)CC1)C2 ZINC001255190902 1040896650 /nfs/dbraw/zinc/89/66/50/1040896650.db2.gz BWHRPHJVDNEUNH-BJWYYQGGSA-N 1 3 391.943 3.742 20 0 GHADHO COc1ccc(N(C)c2ccc(CN3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)cc2)cc1 ZINC001235394551 1040910120 /nfs/dbraw/zinc/91/01/20/1040910120.db2.gz DNPYDITVXCGNIQ-XMSQKQJNSA-N 1 3 383.511 3.972 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(CC3CCC3)CC1)C2 ZINC001255229604 1040917788 /nfs/dbraw/zinc/91/77/88/1040917788.db2.gz OFHNLXFAMSBTOS-BWTSREIZSA-N 1 3 377.573 3.900 20 0 GHADHO Cn1cnc2c1cc(C1CCN(C[C@@H]3CCC[NH2+]C3)CC1)nc2-c1ccccc1 ZINC001235490404 1040959997 /nfs/dbraw/zinc/95/99/97/1040959997.db2.gz UTMBSWZZNRBSAH-GOSISDBHSA-N 1 3 389.547 3.814 20 0 GHADHO c1csc(CN2CCOC3(CCN(CCC[NH2+]C4CCCCC4)CC3)C2)c1 ZINC001235499156 1040962710 /nfs/dbraw/zinc/96/27/10/1040962710.db2.gz ZNKRCYYHDZZNNZ-UHFFFAOYSA-N 1 3 391.625 3.727 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255400723 1040986751 /nfs/dbraw/zinc/98/67/51/1040986751.db2.gz NEXYGAQDIBUROC-BHIFYINESA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255400723 1040986754 /nfs/dbraw/zinc/98/67/54/1040986754.db2.gz NEXYGAQDIBUROC-BHIFYINESA-N 1 3 399.579 3.982 20 0 GHADHO c1ccc(C[N@H+]2CCC[C@@H](N3CC4(C3)CCN(Cc3cccnc3)C4)CC2)cc1 ZINC001255405239 1040993066 /nfs/dbraw/zinc/99/30/66/1040993066.db2.gz XZKQSCSNNUIOLR-XMMPIXPASA-N 1 3 390.575 3.644 20 0 GHADHO c1ccc(C[N@@H+]2CCC[C@@H](N3CC4(C3)CCN(Cc3cccnc3)C4)CC2)cc1 ZINC001255405239 1040993068 /nfs/dbraw/zinc/99/30/68/1040993068.db2.gz XZKQSCSNNUIOLR-XMMPIXPASA-N 1 3 390.575 3.644 20 0 GHADHO Cc1cccc(N2CCCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407952 1040995354 /nfs/dbraw/zinc/99/53/54/1040995354.db2.gz GUDFWVWHRAZCEB-HSZRJFAPSA-N 1 3 378.564 3.957 20 0 GHADHO Cc1cccc(N2CCCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407952 1040995355 /nfs/dbraw/zinc/99/53/55/1040995355.db2.gz GUDFWVWHRAZCEB-HSZRJFAPSA-N 1 3 378.564 3.957 20 0 GHADHO [NH3+]Cc1ccc(CN2CCC(Oc3ccc(Br)cc3)CC2)cc1 ZINC001235708819 1041189036 /nfs/dbraw/zinc/18/90/36/1041189036.db2.gz AQCXBBIEWUSIHV-UHFFFAOYSA-N 1 3 375.310 3.951 20 0 GHADHO C[C@H](CSc1ccc(F)cc1)[N@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001255741436 1041260636 /nfs/dbraw/zinc/26/06/36/1041260636.db2.gz FOKWGKKZJZMWEB-QGZVFWFLSA-N 1 3 388.556 3.657 20 0 GHADHO C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001255741436 1041260653 /nfs/dbraw/zinc/26/06/53/1041260653.db2.gz FOKWGKKZJZMWEB-QGZVFWFLSA-N 1 3 388.556 3.657 20 0 GHADHO CN(C)Cc1ccc(CN(C)CCCC[NH+]2CCCCC2)c2c1OC(F)(F)O2 ZINC001462536044 1070337149 /nfs/dbraw/zinc/33/71/49/1070337149.db2.gz RPDIFWQEFRWPTH-UHFFFAOYSA-N 1 3 397.510 3.768 20 0 GHADHO CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001462535476 1070337412 /nfs/dbraw/zinc/33/74/12/1070337412.db2.gz BPHJEEUIMCRIDJ-NZQKXSOJSA-N 1 3 389.559 3.712 20 0 GHADHO CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001462535476 1070337421 /nfs/dbraw/zinc/33/74/21/1070337421.db2.gz BPHJEEUIMCRIDJ-NZQKXSOJSA-N 1 3 389.559 3.712 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255941473 1041429773 /nfs/dbraw/zinc/42/97/73/1041429773.db2.gz RNNQZEPXWBPVFL-OALUTQOASA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001255961946 1041442035 /nfs/dbraw/zinc/44/20/35/1041442035.db2.gz RAVGOHPHQBROBI-ACIOBRDBSA-N 1 3 389.584 3.590 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001255961946 1041442044 /nfs/dbraw/zinc/44/20/44/1041442044.db2.gz RAVGOHPHQBROBI-ACIOBRDBSA-N 1 3 389.584 3.590 20 0 GHADHO Oc1ccc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1OCC1CC1 ZINC001235979199 1041483997 /nfs/dbraw/zinc/48/39/97/1041483997.db2.gz VNJIASFFUJLWAT-UHFFFAOYSA-N 1 3 378.516 3.818 20 0 GHADHO COc1ccccc1Sc1ccc(CN2CCC[C@H](N3CC(C[NH3+])C3)C2)cc1 ZINC001236079251 1041524367 /nfs/dbraw/zinc/52/43/67/1041524367.db2.gz MZMMKNSHBOVLBW-FQEVSTJZSA-N 1 3 397.588 3.701 20 0 GHADHO [NH3+]C1CCC([N@H+](Cc2ccccc2)Cc2ccc([O-])c3[nH]c(=O)ccc23)CC1 ZINC001236228851 1041633650 /nfs/dbraw/zinc/63/36/50/1041633650.db2.gz QYFDRLZVLDOEAZ-UHFFFAOYSA-N 1 3 377.488 3.918 20 0 GHADHO [NH3+]C1CCC([N@@H+](Cc2ccccc2)Cc2ccc([O-])c3[nH]c(=O)ccc23)CC1 ZINC001236228851 1041633686 /nfs/dbraw/zinc/63/36/86/1041633686.db2.gz QYFDRLZVLDOEAZ-UHFFFAOYSA-N 1 3 377.488 3.918 20 0 GHADHO CCOC(=O)N1CCC([NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)CC1 ZINC001256240119 1041671681 /nfs/dbraw/zinc/67/16/81/1041671681.db2.gz FDZBYVUKEOFQKZ-HXUWFJFHSA-N 1 3 389.540 3.577 20 0 GHADHO CC1(C[N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCOCC1 ZINC001236377798 1041688821 /nfs/dbraw/zinc/68/88/21/1041688821.db2.gz MJASCJVZDNRGEV-UHFFFAOYSA-N 1 3 381.358 3.820 20 0 GHADHO CC1(C[N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCOCC1 ZINC001236377798 1041688824 /nfs/dbraw/zinc/68/88/24/1041688824.db2.gz MJASCJVZDNRGEV-UHFFFAOYSA-N 1 3 381.358 3.820 20 0 GHADHO CC(C)(C)C[N@H+](Cc1ccc(I)cc1)C1CCNCC1 ZINC001236458588 1041721253 /nfs/dbraw/zinc/72/12/53/1041721253.db2.gz UESNRCIPGRSBMC-UHFFFAOYSA-N 1 3 386.321 3.891 20 0 GHADHO CC(C)(C)C[N@@H+](Cc1ccc(I)cc1)C1CCNCC1 ZINC001236458588 1041721258 /nfs/dbraw/zinc/72/12/58/1041721258.db2.gz UESNRCIPGRSBMC-UHFFFAOYSA-N 1 3 386.321 3.891 20 0 GHADHO CC(C)(C)CN(Cc1ccc(I)cc1)C1CC[NH2+]CC1 ZINC001236458588 1041721264 /nfs/dbraw/zinc/72/12/64/1041721264.db2.gz UESNRCIPGRSBMC-UHFFFAOYSA-N 1 3 386.321 3.891 20 0 GHADHO [NH3+][C@H]1CCN(C2CCN(Cc3c(Br)ccc4ccccc43)CC2)C1 ZINC001236615234 1041782709 /nfs/dbraw/zinc/78/27/09/1041782709.db2.gz GWWCPWVVKDVQAZ-INIZCTEOSA-N 1 3 388.353 3.600 20 0 GHADHO COc1ccccc1CN(Cc1ncc(C)c(OC)c1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236714323 1041849889 /nfs/dbraw/zinc/84/98/89/1041849889.db2.gz MHUCTIISYIFDMU-MXVIHJGJSA-N 1 3 383.536 3.988 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCCN(c2ccc(F)cc2)CC1 ZINC001236860733 1041931632 /nfs/dbraw/zinc/93/16/32/1041931632.db2.gz UMXKVANVZQANME-UHFFFAOYSA-N 1 3 388.556 3.770 20 0 GHADHO CCOC(=O)c1[nH]c2ccccc2c1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962048 1041970853 /nfs/dbraw/zinc/97/08/53/1041970853.db2.gz SNNFKSWIPCUVRL-UHFFFAOYSA-N 1 3 383.536 3.946 20 0 GHADHO CCOC(=O)[C@@H]1CN(Cc2ccc(-c3ccc(Cl)cc3)o2)CCC12C[NH2+]C2 ZINC001237431403 1042205644 /nfs/dbraw/zinc/20/56/44/1042205644.db2.gz RXDCVXUNPLCNKR-SFHVURJKSA-N 1 3 388.895 3.575 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccc3c1OCC3)CC2 ZINC001237748248 1042352303 /nfs/dbraw/zinc/35/23/03/1042352303.db2.gz RPPOAKHEYKJTIM-HSZRJFAPSA-N 1 3 392.543 3.877 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccc3c1OCC3)CC2 ZINC001237748248 1042352309 /nfs/dbraw/zinc/35/23/09/1042352309.db2.gz RPPOAKHEYKJTIM-HSZRJFAPSA-N 1 3 392.543 3.877 20 0 GHADHO COc1c(C)cnc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176045 1042509711 /nfs/dbraw/zinc/50/97/11/1042509711.db2.gz KLMSAVIXWJYBRB-WPYKKVEZSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176045 1042509716 /nfs/dbraw/zinc/50/97/16/1042509716.db2.gz KLMSAVIXWJYBRB-WPYKKVEZSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176045 1042509718 /nfs/dbraw/zinc/50/97/18/1042509718.db2.gz KLMSAVIXWJYBRB-WPYKKVEZSA-N 1 3 394.563 3.835 20 0 GHADHO COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176045 1042509721 /nfs/dbraw/zinc/50/97/21/1042509721.db2.gz KLMSAVIXWJYBRB-WPYKKVEZSA-N 1 3 394.563 3.835 20 0 GHADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(CCc1c(Cl)cccc1Cl)CC2 ZINC001278232137 1042594198 /nfs/dbraw/zinc/59/41/98/1042594198.db2.gz QVHUJMKRDJJFRA-UHFFFAOYSA-N 1 3 384.395 3.885 20 0 GHADHO CN(C)CC[N@H+]1CCC2(C1)CCN(CCc1c(Cl)cccc1Cl)CC2 ZINC001278232137 1042594202 /nfs/dbraw/zinc/59/42/02/1042594202.db2.gz QVHUJMKRDJJFRA-UHFFFAOYSA-N 1 3 384.395 3.885 20 0 GHADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238500390 1042620537 /nfs/dbraw/zinc/62/05/37/1042620537.db2.gz BBGMEDJJSYEUJA-DHIUTWEWSA-N 1 3 399.554 3.610 20 0 GHADHO CN(C)CCN(C(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001239307508 1042806314 /nfs/dbraw/zinc/80/63/14/1042806314.db2.gz DPPYMODNOXKDGI-GFCCVEGCSA-N 1 3 393.746 3.794 20 0 GHADHO CC(C)(C)C(=O)Nc1ccc(C[NH3+])nc1C1=CCCN(Cc2ccccc2)C1 ZINC001240386087 1042924218 /nfs/dbraw/zinc/92/42/18/1042924218.db2.gz ZJCBAHXEUIHIKQ-UHFFFAOYSA-N 1 3 378.520 3.814 20 0 GHADHO FC(F)(F)c1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)c(CN2CCCC2)c1 ZINC001240491647 1042936405 /nfs/dbraw/zinc/93/64/05/1042936405.db2.gz NKVBHBRUHUWCSS-UHFFFAOYSA-N 1 3 390.453 3.773 20 0 GHADHO COC(=O)CCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256529728 1043459975 /nfs/dbraw/zinc/45/99/75/1043459975.db2.gz WLOMDIXUXATYDJ-CVDCTZTESA-N 1 3 380.532 3.935 20 0 GHADHO COC(=O)CCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256529728 1043459988 /nfs/dbraw/zinc/45/99/88/1043459988.db2.gz WLOMDIXUXATYDJ-CVDCTZTESA-N 1 3 380.532 3.935 20 0 GHADHO C[C@@H]1C[C@@H](N2CCN(CCc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548590 1043509840 /nfs/dbraw/zinc/50/98/40/1043509840.db2.gz BLQRVDMVFFQCCQ-RDGATRHJSA-N 1 3 377.576 3.900 20 0 GHADHO C[C@@H]1C[C@@H](N2CCN(CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548590 1043509853 /nfs/dbraw/zinc/50/98/53/1043509853.db2.gz BLQRVDMVFFQCCQ-RDGATRHJSA-N 1 3 377.576 3.900 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3CCN(C(C)(C)C)CC3)C[C@@H]21 ZINC001256571038 1043544261 /nfs/dbraw/zinc/54/42/61/1043544261.db2.gz AVOJVQJRKSTGTH-AJSBUHFISA-N 1 3 384.612 3.877 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CCN(C(C)(C)C)CC3)C[C@@H]21 ZINC001256571038 1043544269 /nfs/dbraw/zinc/54/42/69/1043544269.db2.gz AVOJVQJRKSTGTH-AJSBUHFISA-N 1 3 384.612 3.877 20 0 GHADHO c1ccc([C@@H]2C[C@@H]([N@H+]3C[C@@H]4CN(CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815422 1043672190 /nfs/dbraw/zinc/67/21/90/1043672190.db2.gz SEFOVSOTOIDWIK-NEWJYFPISA-N 1 3 384.564 3.730 20 0 GHADHO c1ccc([C@@H]2C[C@@H]([N@@H+]3C[C@@H]4CN(CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815422 1043672201 /nfs/dbraw/zinc/67/22/01/1043672201.db2.gz SEFOVSOTOIDWIK-NEWJYFPISA-N 1 3 384.564 3.730 20 0 GHADHO CC(C)[NH+]1CCC(N(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)CC1 ZINC001257223881 1043941162 /nfs/dbraw/zinc/94/11/62/1043941162.db2.gz HCIVFQXIOAMDDN-UHFFFAOYSA-N 1 3 398.588 3.625 20 0 GHADHO CC(C)N1CCN(c2ccc(-c3nnc(CC[NH+]4CCC(C)CC4)o3)cc2)CC1 ZINC001257896538 1044250302 /nfs/dbraw/zinc/25/03/02/1044250302.db2.gz ABVGTHNHRUDQGD-UHFFFAOYSA-N 1 3 397.567 3.541 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C)([NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC001257975107 1044298542 /nfs/dbraw/zinc/29/85/42/1044298542.db2.gz CAUZXLRUCIFHDG-UXHICEINSA-N 1 3 387.568 3.810 20 0 GHADHO CC(C)C[NH+]1CCC(NC[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001258002772 1044330048 /nfs/dbraw/zinc/33/00/48/1044330048.db2.gz CTLJTTHBPUSCCB-INIZCTEOSA-N 1 3 389.531 3.589 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001258002772 1044330064 /nfs/dbraw/zinc/33/00/64/1044330064.db2.gz CTLJTTHBPUSCCB-INIZCTEOSA-N 1 3 389.531 3.589 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001258013218 1044339785 /nfs/dbraw/zinc/33/97/85/1044339785.db2.gz NDNMVBPTBPUXFK-DENIHFKCSA-N 1 3 397.579 3.778 20 0 GHADHO CC(C)CN1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001258013218 1044339800 /nfs/dbraw/zinc/33/98/00/1044339800.db2.gz NDNMVBPTBPUXFK-DENIHFKCSA-N 1 3 397.579 3.778 20 0 GHADHO O=C1CC[C@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CCN1Cc1ccccc1 ZINC001258579024 1044653785 /nfs/dbraw/zinc/65/37/85/1044653785.db2.gz GRSYJHRDCXMETB-GMAHTHKFSA-N 1 3 395.591 3.978 20 0 GHADHO CCCN1CCC([NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001258772697 1044757599 /nfs/dbraw/zinc/75/75/99/1044757599.db2.gz XBYKVXGBPOFDHG-UHFFFAOYSA-N 1 3 379.589 3.974 20 0 GHADHO CCC[NH+]1CCC(N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001258773992 1044758872 /nfs/dbraw/zinc/75/88/72/1044758872.db2.gz SNONKCLJPSZODZ-NRFANRHFSA-N 1 3 375.582 3.551 20 0 GHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001298378658 1045791732 /nfs/dbraw/zinc/79/17/32/1045791732.db2.gz MSZBSPXHKCIZAH-PKTZIBPZSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001298378658 1045791741 /nfs/dbraw/zinc/79/17/41/1045791741.db2.gz MSZBSPXHKCIZAH-PKTZIBPZSA-N 1 3 385.596 3.520 20 0 GHADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4csc(Cl)c4)C[C@H]3CC2)[nH]1 ZINC001279116613 1047724193 /nfs/dbraw/zinc/72/41/93/1047724193.db2.gz QWCARKNWWWTIBH-IYBDPMFKSA-N 1 3 377.941 3.846 20 0 GHADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4csc(Cl)c4)C[C@H]3CC2)[nH]1 ZINC001279116613 1047724201 /nfs/dbraw/zinc/72/42/01/1047724201.db2.gz QWCARKNWWWTIBH-IYBDPMFKSA-N 1 3 377.941 3.846 20 0 GHADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC001279448339 1047812696 /nfs/dbraw/zinc/81/26/96/1047812696.db2.gz BNULAZKIMWORRF-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO CCSCCN1CCC[C@@]2(CC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175272 1048116380 /nfs/dbraw/zinc/11/63/80/1048116380.db2.gz KXTVKSWVCHRNFV-OAQYLSRUSA-N 1 3 375.582 3.686 20 0 GHADHO CCSCCN1CCC[C@@]2(CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175272 1048116384 /nfs/dbraw/zinc/11/63/84/1048116384.db2.gz KXTVKSWVCHRNFV-OAQYLSRUSA-N 1 3 375.582 3.686 20 0 GHADHO O=C(NCC1CC1)C1([NH2+]CCCN2CCC(Cc3ccccc3)CC2)CCCC1 ZINC001307549644 1049391498 /nfs/dbraw/zinc/39/14/98/1049391498.db2.gz FICWIFOSPBRSJT-UHFFFAOYSA-N 1 3 397.607 3.760 20 0 GHADHO COC(=O)C[C@@H]1CCCN1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597733 1049435762 /nfs/dbraw/zinc/43/57/62/1049435762.db2.gz KFMLCNISAROEHY-PKTZIBPZSA-N 1 3 380.532 3.930 20 0 GHADHO COC(=O)C[C@@H]1CCCN1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597733 1049435769 /nfs/dbraw/zinc/43/57/69/1049435769.db2.gz KFMLCNISAROEHY-PKTZIBPZSA-N 1 3 380.532 3.930 20 0 GHADHO CN(CC(=O)NC1CC[NH+](C)CC1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001307729639 1049542215 /nfs/dbraw/zinc/54/22/15/1049542215.db2.gz HMNCPUUAGWPBTF-NRFANRHFSA-N 1 3 377.960 3.714 20 0 GHADHO CC(C)n1ncc2cc(CN3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c(Cl)nc21 ZINC001335581483 1052135084 /nfs/dbraw/zinc/13/50/84/1052135084.db2.gz FDLWNMROBMUQBC-LESCRADOSA-N 1 3 375.948 3.828 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC001311487215 1052194948 /nfs/dbraw/zinc/19/49/48/1052194948.db2.gz OVSZXQHOVQJEFZ-HSALFYBXSA-N 1 3 392.975 3.649 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC001311487215 1052194950 /nfs/dbraw/zinc/19/49/50/1052194950.db2.gz OVSZXQHOVQJEFZ-HSALFYBXSA-N 1 3 392.975 3.649 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)CC(C)C ZINC001311535174 1052227687 /nfs/dbraw/zinc/22/76/87/1052227687.db2.gz XIMCJVHNZGRBHK-GMAHTHKFSA-N 1 3 388.600 3.707 20 0 GHADHO CC1CCC([NH+]2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC2)CC1 ZINC001311564805 1052248637 /nfs/dbraw/zinc/24/86/37/1052248637.db2.gz SYBRDDOZDQLRDT-APKLWFBNSA-N 1 3 398.595 3.557 20 0 GHADHO CCCN(C(=O)N[C@@H](C)C[NH+](CC)CC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001311749533 1052373735 /nfs/dbraw/zinc/37/37/35/1052373735.db2.gz LZWAFKVBNJKNJS-RBBKRZOGSA-N 1 3 388.600 3.803 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)N2CCCC2)cc1 ZINC001311766256 1052384163 /nfs/dbraw/zinc/38/41/63/1052384163.db2.gz ROQGDVZKFAPFSV-MLCQCVOFSA-N 1 3 398.595 3.504 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC001312024537 1052535071 /nfs/dbraw/zinc/53/50/71/1052535071.db2.gz LJETXAOTWZFQAT-QFIPXVFZSA-N 1 3 398.595 3.701 20 0 GHADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC001319500890 1055292552 /nfs/dbraw/zinc/29/25/52/1055292552.db2.gz ZUXZBYABZQSMSI-XZOQPEGZSA-N 1 3 383.580 3.540 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039221 1057268523 /nfs/dbraw/zinc/26/85/23/1057268523.db2.gz PENLWADJFLKLRO-UZLBHIALSA-N 1 3 375.463 3.726 20 0 GHADHO C[C@@H]1CC2(CN1Cc1ccc(OC(F)F)cc1OC(F)F)CC[NH2+]CC2 ZINC001325814003 1057368748 /nfs/dbraw/zinc/36/87/48/1057368748.db2.gz NXXBOCMFQAWFDV-GFCCVEGCSA-N 1 3 376.394 3.853 20 0 GHADHO COC(=O)/C=C/c1ccc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000848899390 1057407200 /nfs/dbraw/zinc/40/72/00/1057407200.db2.gz NFDIDCHPCYQAIM-SWECLWCZSA-N 1 3 382.504 3.856 20 0 GHADHO COC(=O)/C=C/c1ccc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000848899390 1057407207 /nfs/dbraw/zinc/40/72/07/1057407207.db2.gz NFDIDCHPCYQAIM-SWECLWCZSA-N 1 3 382.504 3.856 20 0 GHADHO [NH2+]=C(NCCCCOc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849056337 1057567626 /nfs/dbraw/zinc/56/76/26/1057567626.db2.gz FHRWJAXBDZMTJS-UHFFFAOYSA-N 1 3 398.526 3.763 20 0 GHADHO [NH2+]=C(NCC1(Cc2ccc(F)cc2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849075239 1057582852 /nfs/dbraw/zinc/58/28/52/1057582852.db2.gz JBTJSOSTTBMDLF-UHFFFAOYSA-N 1 3 394.538 3.927 20 0 GHADHO CCOCCC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000849088967 1057588224 /nfs/dbraw/zinc/58/82/24/1057588224.db2.gz CDHXQCPSNHXYCM-UHFFFAOYSA-N 1 3 386.584 3.752 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC001442596116 1058981491 /nfs/dbraw/zinc/98/14/91/1058981491.db2.gz URINLLRMVXBMET-ZEQRLZLVSA-N 1 3 391.559 3.770 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC001442596116 1058981496 /nfs/dbraw/zinc/98/14/96/1058981496.db2.gz URINLLRMVXBMET-ZEQRLZLVSA-N 1 3 391.559 3.770 20 0 GHADHO O=C(c1ccc2c(c1)CNC2)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001341353927 1060603071 /nfs/dbraw/zinc/60/30/71/1060603071.db2.gz YEJILTMQQHBUNP-UHFFFAOYSA-N 1 3 375.516 3.517 20 0 GHADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001452977184 1061055004 /nfs/dbraw/zinc/05/50/04/1061055004.db2.gz RMFPJRFPNVILQA-QFIPXVFZSA-N 1 3 390.531 3.680 20 0 GHADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001452977184 1061055022 /nfs/dbraw/zinc/05/50/22/1061055022.db2.gz RMFPJRFPNVILQA-QFIPXVFZSA-N 1 3 390.531 3.680 20 0 GHADHO O=C(NCC1CC1)[C@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001459316187 1064059616 /nfs/dbraw/zinc/05/96/16/1064059616.db2.gz VIJHTFBIIMRVEX-DEOSSOPVSA-N 1 3 397.607 3.569 20 0 GHADHO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001459316187 1064059621 /nfs/dbraw/zinc/05/96/21/1064059621.db2.gz VIJHTFBIIMRVEX-DEOSSOPVSA-N 1 3 397.607 3.569 20 0 GHADHO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC001200069379 1065121396 /nfs/dbraw/zinc/12/13/96/1065121396.db2.gz HEPKISAGRWSZIR-FQEVSTJZSA-N 1 3 388.556 3.546 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccsc1 ZINC001467663781 1067406164 /nfs/dbraw/zinc/40/61/64/1067406164.db2.gz HIYKMWLTWDHUQY-YFVAEKQCSA-N 1 3 394.629 3.941 20 0 GHADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001477677770 1078521533 /nfs/dbraw/zinc/52/15/33/1078521533.db2.gz QTNMGQGOYHYNPD-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001467674803 1067411730 /nfs/dbraw/zinc/41/17/30/1067411730.db2.gz BBWRIZQGHPNTLT-GMAHTHKFSA-N 1 3 398.595 3.530 20 0 GHADHO CC[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001467674803 1067411732 /nfs/dbraw/zinc/41/17/32/1067411732.db2.gz BBWRIZQGHPNTLT-GMAHTHKFSA-N 1 3 398.595 3.530 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)N2CCCC2)cc1 ZINC001468387766 1067713883 /nfs/dbraw/zinc/71/38/83/1067713883.db2.gz JCIMDUIAICXVEU-GOTSBHOMSA-N 1 3 398.595 3.696 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)N2CCCC2)cc1 ZINC001468387766 1067713885 /nfs/dbraw/zinc/71/38/85/1067713885.db2.gz JCIMDUIAICXVEU-GOTSBHOMSA-N 1 3 398.595 3.696 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001470067318 1068552948 /nfs/dbraw/zinc/55/29/48/1068552948.db2.gz JNVIREDLTWUYGP-UONOGXRCSA-N 1 3 389.371 3.626 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001470067318 1068552961 /nfs/dbraw/zinc/55/29/61/1068552961.db2.gz JNVIREDLTWUYGP-UONOGXRCSA-N 1 3 389.371 3.626 20 0 GHADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001470088382 1068566175 /nfs/dbraw/zinc/56/61/75/1068566175.db2.gz WFCQHVVRXVUHRL-QFIPXVFZSA-N 1 3 394.563 3.539 20 0 GHADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001470088382 1068566181 /nfs/dbraw/zinc/56/61/81/1068566181.db2.gz WFCQHVVRXVUHRL-QFIPXVFZSA-N 1 3 394.563 3.539 20 0 GHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(C2CCCCC2)CC1)[NH+](C)C ZINC001470094535 1068569306 /nfs/dbraw/zinc/56/93/06/1068569306.db2.gz LMZJWZOUOWIFHI-KNQAVFIVSA-N 1 3 386.584 3.646 20 0 GHADHO CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001460556001 1068994807 /nfs/dbraw/zinc/99/48/07/1068994807.db2.gz QWIPGFILMOTQKW-JWQCQUIFSA-N 1 3 393.575 3.893 20 0 GHADHO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001460556001 1068994810 /nfs/dbraw/zinc/99/48/10/1068994810.db2.gz QWIPGFILMOTQKW-JWQCQUIFSA-N 1 3 393.575 3.893 20 0 GHADHO CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001460556006 1068995710 /nfs/dbraw/zinc/99/57/10/1068995710.db2.gz QWIPGFILMOTQKW-RPBOFIJWSA-N 1 3 393.575 3.893 20 0 GHADHO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001460556006 1068995714 /nfs/dbraw/zinc/99/57/14/1068995714.db2.gz QWIPGFILMOTQKW-RPBOFIJWSA-N 1 3 393.575 3.893 20 0 GHADHO Cc1cccc(CN2CC[C@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC001470713241 1072699862 /nfs/dbraw/zinc/69/98/62/1072699862.db2.gz MHTVROAINSRKOK-QHCPKHFHSA-N 1 3 377.532 3.595 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H](CC1CCC1)c1ccccc1)c1ccccc1 ZINC001473334828 1073924937 /nfs/dbraw/zinc/92/49/37/1073924937.db2.gz UDKCTLUNEZFKQI-DHIUTWEWSA-N 1 3 379.548 3.927 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)[C@H]1C ZINC001473390173 1073946125 /nfs/dbraw/zinc/94/61/25/1073946125.db2.gz XVRMSWVYAJECOD-WWPVKYPJSA-N 1 3 380.532 3.786 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)[C@H]1C ZINC001473390173 1073946127 /nfs/dbraw/zinc/94/61/27/1073946127.db2.gz XVRMSWVYAJECOD-WWPVKYPJSA-N 1 3 380.532 3.786 20 0 GHADHO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)NC[C@@H](c3ccccc3)N(C)C)C2(C)C)cc1 ZINC001473750532 1074122794 /nfs/dbraw/zinc/12/27/94/1074122794.db2.gz JVJCNWFJSJRPPM-GOTSBHOMSA-N 1 3 393.575 3.982 20 0 GHADHO Cc1ccc([C@@H]2CC[N@H+](CC(=O)NC[C@@H](c3ccccc3)N(C)C)C2(C)C)cc1 ZINC001473750532 1074122795 /nfs/dbraw/zinc/12/27/95/1074122795.db2.gz JVJCNWFJSJRPPM-GOTSBHOMSA-N 1 3 393.575 3.982 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]Cc3ccns3)CC2)c1 ZINC001473927895 1074207043 /nfs/dbraw/zinc/20/70/43/1074207043.db2.gz LCWGHEPPIPYFIE-UHFFFAOYSA-N 1 3 398.498 3.854 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC001473996565 1074229843 /nfs/dbraw/zinc/22/98/43/1074229843.db2.gz VALHJDVNUHANRQ-FQEVSTJZSA-N 1 3 379.548 3.875 20 0 GHADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1Oc1cccnc1 ZINC001474068067 1074253403 /nfs/dbraw/zinc/25/34/03/1074253403.db2.gz OBZPSFITNQQCOB-YADHBBJMSA-N 1 3 381.520 3.650 20 0 GHADHO C[C@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414106987 837575433 /nfs/dbraw/zinc/57/54/33/837575433.db2.gz RLGMXCJJIVCLAM-ZCNNSNEGSA-N 1 3 396.579 3.689 20 0 GHADHO C[C@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414106987 837575443 /nfs/dbraw/zinc/57/54/43/837575443.db2.gz RLGMXCJJIVCLAM-ZCNNSNEGSA-N 1 3 396.579 3.689 20 0 GHADHO COc1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)c(OC)c1 ZINC000584411398 834546853 /nfs/dbraw/zinc/54/68/53/834546853.db2.gz GTCKZGOZCIPFMV-CVEARBPZSA-N 1 3 387.549 3.649 20 0 GHADHO c1ccc(CN2CCCC[C@@H](C[NH2+]C3CCN(c4ccccn4)CC3)C2)cc1 ZINC000584440031 834619336 /nfs/dbraw/zinc/61/93/36/834619336.db2.gz YKBXJIZWNLCTBQ-QFIPXVFZSA-N 1 3 378.564 3.942 20 0 GHADHO Cc1cc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)sc1Br ZINC000375756001 834631618 /nfs/dbraw/zinc/63/16/18/834631618.db2.gz HLVGGBOUUAWZFU-ZIAGYGMSSA-N 1 3 387.387 3.971 20 0 GHADHO CN1CC[NH+](CC2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC000685455301 835026574 /nfs/dbraw/zinc/02/65/74/835026574.db2.gz SBDPOWPVXHSTNH-UHFFFAOYSA-N 1 3 393.575 3.725 20 0 GHADHO Cc1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c2c(n1)CCCC2 ZINC000892396429 835058163 /nfs/dbraw/zinc/05/81/63/835058163.db2.gz BNZSBNAKSOGPDI-UHFFFAOYSA-N 1 3 379.548 3.515 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3C(C)(F)F)CC2)CC1 ZINC000655126946 835198758 /nfs/dbraw/zinc/19/87/58/835198758.db2.gz GTTRPIKOSVZVGK-UHFFFAOYSA-N 1 3 379.495 3.933 20 0 GHADHO C[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCN1Cc1ccccc1 ZINC000433364350 844053495 /nfs/dbraw/zinc/05/34/95/844053495.db2.gz JMBRFQHQSBWYRL-REWPJTCUSA-N 1 3 379.548 3.802 20 0 GHADHO CCOc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1OCC ZINC000658141608 835452119 /nfs/dbraw/zinc/45/21/19/835452119.db2.gz SNGVLDAPOREABS-AVRDEDQJSA-N 1 3 398.547 3.901 20 0 GHADHO CCOc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1OCC ZINC000658141608 835452126 /nfs/dbraw/zinc/45/21/26/835452126.db2.gz SNGVLDAPOREABS-AVRDEDQJSA-N 1 3 398.547 3.901 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccnn1-c1ccccc1 ZINC000658166097 835480825 /nfs/dbraw/zinc/48/08/25/835480825.db2.gz MKNSWJWAYVOBNA-IBGZPJMESA-N 1 3 375.520 3.830 20 0 GHADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167777 835482038 /nfs/dbraw/zinc/48/20/38/835482038.db2.gz UHUOVZHSLROYFH-GOSISDBHSA-N 1 3 377.536 3.781 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+][C@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657832424 835707457 /nfs/dbraw/zinc/70/74/57/835707457.db2.gz CTYJZOCFXFIAMF-HSZRJFAPSA-N 1 3 391.559 3.810 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC000655445705 835919562 /nfs/dbraw/zinc/91/95/62/835919562.db2.gz JHKNFMAHXAZDBW-NLWGTHIKSA-N 1 3 397.485 3.594 20 0 GHADHO OC1(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CCN(Cc2ccccc2)CC1 ZINC000414313905 837053857 /nfs/dbraw/zinc/05/38/57/837053857.db2.gz YWNLPNMAKAJPMU-HXUWFJFHSA-N 1 3 386.536 3.979 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(Cl)cc1 ZINC000414323808 837109358 /nfs/dbraw/zinc/10/93/58/837109358.db2.gz JOWQMTOYDMXQOR-MRXNPFEDSA-N 1 3 385.939 3.888 20 0 GHADHO O=C1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)[C@H](c2ccccc2)N1 ZINC000414322486 837115426 /nfs/dbraw/zinc/11/54/26/837115426.db2.gz SSJSYSDSHMFBLJ-JRYGSTJPSA-N 1 3 389.543 3.507 20 0 GHADHO O=C1CC[C@@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@H](c2ccccc2)N1 ZINC000414322486 837115430 /nfs/dbraw/zinc/11/54/30/837115430.db2.gz SSJSYSDSHMFBLJ-JRYGSTJPSA-N 1 3 389.543 3.507 20 0 GHADHO O=C1CC[C@@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@H](c2ccccc2)N1 ZINC000414322486 837115432 /nfs/dbraw/zinc/11/54/32/837115432.db2.gz SSJSYSDSHMFBLJ-JRYGSTJPSA-N 1 3 389.543 3.507 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000659245988 838001120 /nfs/dbraw/zinc/00/11/20/838001120.db2.gz FFPPQCKBWPYFBF-VOQZNFBZSA-N 1 3 377.532 3.631 20 0 GHADHO CCc1nncn1CCN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000579981450 838244923 /nfs/dbraw/zinc/24/49/23/838244923.db2.gz PEHKOBFSEYJOGY-OAQYLSRUSA-N 1 3 387.547 3.823 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000415939731 838292634 /nfs/dbraw/zinc/29/26/34/838292634.db2.gz ZNUGWISULCFVRY-JOCHJYFZSA-N 1 3 396.535 3.763 20 0 GHADHO C[C@@H]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000415955386 838316544 /nfs/dbraw/zinc/31/65/44/838316544.db2.gz MFDZXBVLIITULL-QGZVFWFLSA-N 1 3 396.510 3.600 20 0 GHADHO CC(C)N1CCN(c2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2)CC1 ZINC000275698638 838448851 /nfs/dbraw/zinc/44/88/51/838448851.db2.gz SJFGPTXPQBTEFR-UHFFFAOYSA-N 1 3 394.563 3.573 20 0 GHADHO CC(C)[C@@H]1N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC12CCCCC2 ZINC000458131349 844352909 /nfs/dbraw/zinc/35/29/09/844352909.db2.gz QBWROKBIAVYUIK-NRFANRHFSA-N 1 3 390.616 3.545 20 0 GHADHO CCOc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OCC(C)C ZINC000415118851 839230770 /nfs/dbraw/zinc/23/07/70/839230770.db2.gz DPVVFQHBTBHTLL-IRLDBZIGSA-N 1 3 390.568 3.838 20 0 GHADHO CCOc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OCC(C)C ZINC000415123303 839243238 /nfs/dbraw/zinc/24/32/38/839243238.db2.gz JISHJESCCGQXBS-OFNKIYASSA-N 1 3 390.568 3.838 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)CC1 ZINC000580783342 840178674 /nfs/dbraw/zinc/17/86/74/840178674.db2.gz KZNVITQVWOLIAL-UHFFFAOYSA-N 1 3 379.495 3.933 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000584742372 840713914 /nfs/dbraw/zinc/71/39/14/840713914.db2.gz VGGZHLAYSPZUIP-GHTZIAJQSA-N 1 3 383.536 3.737 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCN1Cc1ccccc1 ZINC000581210512 840855855 /nfs/dbraw/zinc/85/58/55/840855855.db2.gz NNYDEMKJIQHBDE-PXDATVDWSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccccc2CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000581210512 840855865 /nfs/dbraw/zinc/85/58/65/840855865.db2.gz NNYDEMKJIQHBDE-PXDATVDWSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccccc2CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000581210512 840855879 /nfs/dbraw/zinc/85/58/79/840855879.db2.gz NNYDEMKJIQHBDE-PXDATVDWSA-N 1 3 393.575 3.662 20 0 GHADHO CCOc1ccc(NC(=O)CC[NH+]2CCC(NCc3ccccc3)CC2)cc1 ZINC000660675085 841088724 /nfs/dbraw/zinc/08/87/24/841088724.db2.gz FZRXNUWYIHZATO-UHFFFAOYSA-N 1 3 381.520 3.668 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccsc1 ZINC000660338645 841453524 /nfs/dbraw/zinc/45/35/24/841453524.db2.gz LIHHPRCCKDXFGV-HXUWFJFHSA-N 1 3 392.613 3.552 20 0 GHADHO Cc1cc([C@@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)sc1Br ZINC000512032577 842214645 /nfs/dbraw/zinc/21/46/45/842214645.db2.gz VMMRLWMVSIJRAK-KGLIPLIRSA-N 1 3 375.376 3.562 20 0 GHADHO C[C@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1=CCN(C)CC1 ZINC000510484980 842497268 /nfs/dbraw/zinc/49/72/68/842497268.db2.gz ZLFTVPDCBAUYOP-AQNXPRMDSA-N 1 3 398.595 3.614 20 0 GHADHO CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248370 843014147 /nfs/dbraw/zinc/01/41/47/843014147.db2.gz AAVIHPGYOGFYCJ-LJQANCHMSA-N 1 3 394.544 3.554 20 0 GHADHO CCOc1cc(CN(C)Cc2cccc3c2CC[NH2+]C3)ccc1OC(F)F ZINC000662250737 843017092 /nfs/dbraw/zinc/01/70/92/843017092.db2.gz NCEWNTFBQGLUOD-UHFFFAOYSA-N 1 3 376.447 3.964 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000662388589 843169639 /nfs/dbraw/zinc/16/96/39/843169639.db2.gz RLSUVVXQYCGUSZ-MRXNPFEDSA-N 1 3 383.561 3.698 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000662388589 843169645 /nfs/dbraw/zinc/16/96/45/843169645.db2.gz RLSUVVXQYCGUSZ-MRXNPFEDSA-N 1 3 383.561 3.698 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662424296 843217641 /nfs/dbraw/zinc/21/76/41/843217641.db2.gz UJHBKOMRVUIBJZ-HSZRJFAPSA-N 1 3 377.532 3.913 20 0 GHADHO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc2c1CNC2 ZINC000662504896 843351131 /nfs/dbraw/zinc/35/11/31/843351131.db2.gz MXXULRVMARSHBG-UHFFFAOYSA-N 1 3 391.437 3.513 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000165312415 843363173 /nfs/dbraw/zinc/36/31/73/843363173.db2.gz LTDKXZOINONAHN-PZJWPPBQSA-N 1 3 393.531 3.858 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000662513137 843375440 /nfs/dbraw/zinc/37/54/40/843375440.db2.gz ZHJZNPGHDVKROB-UHFFFAOYSA-N 1 3 395.572 3.522 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000662513137 843375444 /nfs/dbraw/zinc/37/54/44/843375444.db2.gz ZHJZNPGHDVKROB-UHFFFAOYSA-N 1 3 395.572 3.522 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1)C1CC1 ZINC000599627414 861417079 /nfs/dbraw/zinc/41/70/79/861417079.db2.gz AZSZWOZXHHJKSI-LJQANCHMSA-N 1 3 379.548 3.921 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1)C1CC1 ZINC000599627414 861417084 /nfs/dbraw/zinc/41/70/84/861417084.db2.gz AZSZWOZXHHJKSI-LJQANCHMSA-N 1 3 379.548 3.921 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000127395614 843746848 /nfs/dbraw/zinc/74/68/48/843746848.db2.gz CMNBTKNOCSUPHJ-UHFFFAOYSA-N 1 3 386.565 3.843 20 0 GHADHO CCOc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc(Br)c1OC ZINC000092253685 843753833 /nfs/dbraw/zinc/75/38/33/843753833.db2.gz ABGYTLZMKXORNZ-AWEZNQCLSA-N 1 3 385.346 3.630 20 0 GHADHO CCOc1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc(Br)c1OC ZINC000092253685 843753836 /nfs/dbraw/zinc/75/38/36/843753836.db2.gz ABGYTLZMKXORNZ-AWEZNQCLSA-N 1 3 385.346 3.630 20 0 GHADHO FC1(F)CCC[C@H](CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444083 843818686 /nfs/dbraw/zinc/81/86/86/843818686.db2.gz KMQBWNZWYQPEPV-LEWJYISDSA-N 1 3 377.523 3.704 20 0 GHADHO FC1(F)CCC[C@H](CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444083 843818693 /nfs/dbraw/zinc/81/86/93/843818693.db2.gz KMQBWNZWYQPEPV-LEWJYISDSA-N 1 3 377.523 3.704 20 0 GHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(C(C)(C)C)s2)CC1 ZINC000092426848 843827834 /nfs/dbraw/zinc/82/78/34/843827834.db2.gz RKKQOYJUDHQBMK-UHFFFAOYSA-N 1 3 393.641 3.962 20 0 GHADHO O=C(CN[C@@H](c1ccccc1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000179105949 861471114 /nfs/dbraw/zinc/47/11/14/861471114.db2.gz SFNOUDHYDBRXNW-DEOSSOPVSA-N 1 3 377.532 3.640 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000512659710 844938741 /nfs/dbraw/zinc/93/87/41/844938741.db2.gz JJULIEKXULGYGE-VABKMULXSA-N 1 3 376.548 3.787 20 0 GHADHO CN1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179269818 861515260 /nfs/dbraw/zinc/51/52/60/861515260.db2.gz WFGDOACGQMATGL-VXKWHMMOSA-N 1 3 384.568 3.528 20 0 GHADHO FC(F)(F)c1cnc(OCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000246570084 845201193 /nfs/dbraw/zinc/20/11/93/845201193.db2.gz XWLCGEHSMCGCER-KBPBESRZSA-N 1 3 377.838 3.739 20 0 GHADHO FC(F)(F)c1cnc(OCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000246570084 845201207 /nfs/dbraw/zinc/20/12/07/845201207.db2.gz XWLCGEHSMCGCER-KBPBESRZSA-N 1 3 377.838 3.739 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccnn1-c1ccncc1 ZINC000657311562 846051953 /nfs/dbraw/zinc/05/19/53/846051953.db2.gz NRHAFIPRVCKJQA-IBGZPJMESA-N 1 3 375.520 3.932 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccnn1-c1ccncc1 ZINC000657311562 846051960 /nfs/dbraw/zinc/05/19/60/846051960.db2.gz NRHAFIPRVCKJQA-IBGZPJMESA-N 1 3 375.520 3.932 20 0 GHADHO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1 ZINC000731478909 861668914 /nfs/dbraw/zinc/66/89/14/861668914.db2.gz KIQPFRRTGVFGMY-NRFANRHFSA-N 1 3 395.547 3.540 20 0 GHADHO OC1(CNCc2cnc(C3CCCC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000414544030 846483347 /nfs/dbraw/zinc/48/33/47/846483347.db2.gz CHPMTIIFDSBODF-UHFFFAOYSA-N 1 3 385.577 3.917 20 0 GHADHO OC1(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CCN(Cc2ccccc2)CC1 ZINC000414549690 846541976 /nfs/dbraw/zinc/54/19/76/846541976.db2.gz LVSJIGXRMNACHS-UHFFFAOYSA-N 1 3 394.437 3.702 20 0 GHADHO Cc1cc(Cl)ccc1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414554352 846601453 /nfs/dbraw/zinc/60/14/53/846601453.db2.gz KIAGZHDODZIPPV-UHFFFAOYSA-N 1 3 385.939 3.636 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)C2CC2)CC1 ZINC000179689097 861709012 /nfs/dbraw/zinc/70/90/12/861709012.db2.gz FJDRSRWCRAPNRD-RUZDIDTESA-N 1 3 391.559 3.817 20 0 GHADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000503080364 846784169 /nfs/dbraw/zinc/78/41/69/846784169.db2.gz FFWYHBSOOMZYIB-IBGZPJMESA-N 1 3 386.584 3.687 20 0 GHADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000503080364 846784177 /nfs/dbraw/zinc/78/41/77/846784177.db2.gz FFWYHBSOOMZYIB-IBGZPJMESA-N 1 3 386.584 3.687 20 0 GHADHO CCC[C@H](Cc1ccccc1)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582368213 846970696 /nfs/dbraw/zinc/97/06/96/846970696.db2.gz ASQJOQMYDGCWBE-JOCHJYFZSA-N 1 3 385.596 3.710 20 0 GHADHO O=C(CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000647900738 847120598 /nfs/dbraw/zinc/12/05/98/847120598.db2.gz FVRRPRCTACKQDP-DHIUTWEWSA-N 1 3 391.559 3.746 20 0 GHADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000420378695 847147427 /nfs/dbraw/zinc/14/74/27/847147427.db2.gz BKXTXUJPXUOMTA-MIZPHKNDSA-N 1 3 397.588 3.808 20 0 GHADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000501827664 847217584 /nfs/dbraw/zinc/21/75/84/847217584.db2.gz QIQVJYCFWAENLG-RTWAWAEBSA-N 1 3 397.567 3.744 20 0 GHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000582501759 847428547 /nfs/dbraw/zinc/42/85/47/847428547.db2.gz DUHXENLITGYDQG-QTLGCAHFSA-N 1 3 393.575 3.724 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(CCOc3cccc4ccccc43)CC2)CC1 ZINC000420974716 847602285 /nfs/dbraw/zinc/60/22/85/847602285.db2.gz DWLKPZVPLMJVJE-UHFFFAOYSA-N 1 3 381.564 3.711 20 0 GHADHO CCN1CCC([N@H+]2CCCN(CCOc3cccc4ccccc43)CC2)CC1 ZINC000420974716 847602292 /nfs/dbraw/zinc/60/22/92/847602292.db2.gz DWLKPZVPLMJVJE-UHFFFAOYSA-N 1 3 381.564 3.711 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc(NC(C)=O)cc2)cc1OC ZINC000048748110 847678023 /nfs/dbraw/zinc/67/80/23/847678023.db2.gz RQQRCAXRZQGPRF-UHFFFAOYSA-N 1 3 399.535 3.664 20 0 GHADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000503495953 847749490 /nfs/dbraw/zinc/74/94/90/847749490.db2.gz IBNWBFDPKDMIMT-IRLDBZIGSA-N 1 3 386.584 3.587 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422725812 847798965 /nfs/dbraw/zinc/79/89/65/847798965.db2.gz CJXURRWFDISMEL-HZPDHXFCSA-N 1 3 389.503 3.908 20 0 GHADHO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCCCC2)cc1 ZINC000422758091 847801648 /nfs/dbraw/zinc/80/16/48/847801648.db2.gz KFAZLMUQQMDRSE-SBUREZEXSA-N 1 3 382.552 3.735 20 0 GHADHO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCCCC2)cc1 ZINC000422758089 847801921 /nfs/dbraw/zinc/80/19/21/847801921.db2.gz KFAZLMUQQMDRSE-GAJHUEQPSA-N 1 3 382.552 3.735 20 0 GHADHO C[C@@H](C[C@H]1COCC[NH2+]1)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422788820 847820692 /nfs/dbraw/zinc/82/06/92/847820692.db2.gz NMNNIDPWGJNACE-HOCLYGCPSA-N 1 3 395.425 3.749 20 0 GHADHO c1ccc([C@H](CN2CCCC2)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800264 847828561 /nfs/dbraw/zinc/82/85/61/847828561.db2.gz AZXXTNTYQZCFQE-GPXNEJASSA-N 1 3 377.532 3.669 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423015477 847937919 /nfs/dbraw/zinc/93/79/19/847937919.db2.gz RDKVNMHRVMWDAZ-CJMONDIMSA-N 1 3 376.907 3.737 20 0 GHADHO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423030194 847945729 /nfs/dbraw/zinc/94/57/29/847945729.db2.gz JMTMCZFOUVKMMN-YIILKADPSA-N 1 3 392.469 3.752 20 0 GHADHO COC[C@H](CCC[NH3+])N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423039743 847950956 /nfs/dbraw/zinc/95/09/56/847950956.db2.gz RJTBROAPRLVMFI-KBPBESRZSA-N 1 3 383.252 3.786 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613346 848328200 /nfs/dbraw/zinc/32/82/00/848328200.db2.gz ZEUCCVCJKHQOPK-UHFFFAOYSA-N 1 3 389.547 3.886 20 0 GHADHO C[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000604171034 861923287 /nfs/dbraw/zinc/92/32/87/861923287.db2.gz JOGZKVSUBFPAAH-KCZVDYSFSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000604171034 861923301 /nfs/dbraw/zinc/92/33/01/861923301.db2.gz JOGZKVSUBFPAAH-KCZVDYSFSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1nc2ccccc2n1C ZINC000180054981 861926230 /nfs/dbraw/zinc/92/62/30/861926230.db2.gz FOPFXZCBBAICCC-HXUWFJFHSA-N 1 3 391.563 3.826 20 0 GHADHO [NH3+][C@@H](CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000237883232 848769152 /nfs/dbraw/zinc/76/91/52/848769152.db2.gz MAAOUTDDVDGTSJ-NRFANRHFSA-N 1 3 385.939 3.758 20 0 GHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000123954113 849235144 /nfs/dbraw/zinc/23/51/44/849235144.db2.gz VAPLALNNGDEEJY-QGZVFWFLSA-N 1 3 389.565 3.751 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000123954113 849235152 /nfs/dbraw/zinc/23/51/52/849235152.db2.gz VAPLALNNGDEEJY-QGZVFWFLSA-N 1 3 389.565 3.751 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)N2CCCC2)cc1 ZINC000535974361 849432396 /nfs/dbraw/zinc/43/23/96/849432396.db2.gz LABPQSPLPWSPQG-DHIUTWEWSA-N 1 3 398.595 3.505 20 0 GHADHO COc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1OC ZINC000423135529 849768907 /nfs/dbraw/zinc/76/89/07/849768907.db2.gz YGWGDHIAXFRYRB-BTCOZLQPSA-N 1 3 382.504 3.919 20 0 GHADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292669 849841609 /nfs/dbraw/zinc/84/16/09/849841609.db2.gz NVEHQWHLUIZTCF-IAGOWNOFSA-N 1 3 389.565 3.588 20 0 GHADHO Cc1c([C@H](C)N[C@H](C)CCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423446400 849921928 /nfs/dbraw/zinc/92/19/28/849921928.db2.gz YSPZRVMWTRPZEJ-OLZOCXBDSA-N 1 3 380.334 3.506 20 0 GHADHO Cc1c([C@H](C)NCCC[C@@H]2CCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000423483066 849949689 /nfs/dbraw/zinc/94/96/89/849949689.db2.gz PTOXRWMGWIKGIS-XJKSGUPXSA-N 1 3 392.345 3.521 20 0 GHADHO Brc1ccc2c(c1)C=C(C[NH2+]C1CCN(C3CCC3)CC1)CO2 ZINC000518781122 850090180 /nfs/dbraw/zinc/09/01/80/850090180.db2.gz RKKKXBKOQXXWOE-UHFFFAOYSA-N 1 3 377.326 3.831 20 0 GHADHO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000505616068 850134981 /nfs/dbraw/zinc/13/49/81/850134981.db2.gz ZYVBLBJTZAZDRX-AUSIDOKSSA-N 1 3 379.548 3.706 20 0 GHADHO C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486828172 850149039 /nfs/dbraw/zinc/14/90/39/850149039.db2.gz VBJGYBIPDGRIOG-WIYYLYMNSA-N 1 3 380.536 3.780 20 0 GHADHO C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486828172 850149048 /nfs/dbraw/zinc/14/90/48/850149048.db2.gz VBJGYBIPDGRIOG-WIYYLYMNSA-N 1 3 380.536 3.780 20 0 GHADHO C[C@@H]1CC2(CN1Cc1cc3c(cc1Br)OCCCO3)CC[NH2+]CC2 ZINC000424302572 850343038 /nfs/dbraw/zinc/34/30/38/850343038.db2.gz ZXMPIJBXPDURJP-CQSZACIVSA-N 1 3 395.341 3.574 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1ccsc1 ZINC000487857339 850937032 /nfs/dbraw/zinc/93/70/32/850937032.db2.gz JOTJCDIVJHZXKI-RAUXBKROSA-N 1 3 392.613 3.503 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1ccsc1 ZINC000487857339 850937037 /nfs/dbraw/zinc/93/70/37/850937037.db2.gz JOTJCDIVJHZXKI-RAUXBKROSA-N 1 3 392.613 3.503 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000514124106 851289419 /nfs/dbraw/zinc/28/94/19/851289419.db2.gz YWKMMBBFZKWMOG-KCZVDYSFSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000514124106 851289435 /nfs/dbraw/zinc/28/94/35/851289435.db2.gz YWKMMBBFZKWMOG-KCZVDYSFSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000514139310 851304715 /nfs/dbraw/zinc/30/47/15/851304715.db2.gz YSPGIVWSDZCPTG-IRLDBZIGSA-N 1 3 386.584 3.633 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)N2CCCC2)cc1 ZINC000488475045 851526949 /nfs/dbraw/zinc/52/69/49/851526949.db2.gz GVSDKAUZPGEXOC-NFBKMPQASA-N 1 3 398.595 3.648 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)N2CCCC2)cc1 ZINC000488475045 851526957 /nfs/dbraw/zinc/52/69/57/851526957.db2.gz GVSDKAUZPGEXOC-NFBKMPQASA-N 1 3 398.595 3.648 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)N2CCCC2)cc1 ZINC000488475047 851527488 /nfs/dbraw/zinc/52/74/88/851527488.db2.gz GVSDKAUZPGEXOC-OFNKIYASSA-N 1 3 398.595 3.648 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)N2CCCC2)cc1 ZINC000488475047 851527495 /nfs/dbraw/zinc/52/74/95/851527495.db2.gz GVSDKAUZPGEXOC-OFNKIYASSA-N 1 3 398.595 3.648 20 0 GHADHO CCCN(Cc1ccc(F)cc1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000515864688 851564127 /nfs/dbraw/zinc/56/41/27/851564127.db2.gz LAEDWYCFDKUYSY-UHFFFAOYSA-N 1 3 389.559 3.761 20 0 GHADHO CC(=O)NC1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000516032763 852089389 /nfs/dbraw/zinc/08/93/89/852089389.db2.gz COMFCFAELOCGDY-KQGPZRGRSA-N 1 3 383.580 3.714 20 0 GHADHO COc1cc(CN2CC[C@@H](OC(C)C)C2)cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC000516178776 852248395 /nfs/dbraw/zinc/24/83/95/852248395.db2.gz GTIVOVPAVHAXOQ-FGZHOGPDSA-N 1 3 390.568 3.694 20 0 GHADHO COc1cc(CN2CC[C@@H](OC(C)C)C2)cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC000516178776 852248400 /nfs/dbraw/zinc/24/84/00/852248400.db2.gz GTIVOVPAVHAXOQ-FGZHOGPDSA-N 1 3 390.568 3.694 20 0 GHADHO CCCN(C(=O)NCc1ccc(C[NH3+])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000516179554 852249583 /nfs/dbraw/zinc/24/95/83/852249583.db2.gz YLMGCVNYJLWGPI-QHCPKHFHSA-N 1 3 394.563 3.732 20 0 GHADHO Cc1cc2c(cc1F)nc1c(c2N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCCC1 ZINC000664598829 852633912 /nfs/dbraw/zinc/63/39/12/852633912.db2.gz WOOZJYIPXRMKSA-KRWDZBQOSA-N 1 3 383.511 3.597 20 0 GHADHO Cc1cc2c(cc1F)nc1c(c2N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCCC1 ZINC000664598829 852633922 /nfs/dbraw/zinc/63/39/22/852633922.db2.gz WOOZJYIPXRMKSA-KRWDZBQOSA-N 1 3 383.511 3.597 20 0 GHADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)([NH+](C)C)C1 ZINC000516560916 852724869 /nfs/dbraw/zinc/72/48/69/852724869.db2.gz LYDQQRKSTSKMDE-LVCYWYKZSA-N 1 3 392.613 3.695 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000516579424 852747309 /nfs/dbraw/zinc/74/73/09/852747309.db2.gz WTEPHPLWEFAVIC-DENIHFKCSA-N 1 3 386.584 3.585 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598787 852781486 /nfs/dbraw/zinc/78/14/86/852781486.db2.gz HYVNMHDSEDRKEM-RBZQAINGSA-N 1 3 397.607 3.541 20 0 GHADHO C[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000491017255 853398383 /nfs/dbraw/zinc/39/83/83/853398383.db2.gz CRSWZQHEEOBEEF-GBXCKJPGSA-N 1 3 379.548 3.937 20 0 GHADHO C[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000491017255 853398390 /nfs/dbraw/zinc/39/83/90/853398390.db2.gz CRSWZQHEEOBEEF-GBXCKJPGSA-N 1 3 379.548 3.937 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000519937730 853648541 /nfs/dbraw/zinc/64/85/41/853648541.db2.gz IZODHWDBEOCBOP-QHCPKHFHSA-N 1 3 394.563 3.775 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000519937730 853648550 /nfs/dbraw/zinc/64/85/50/853648550.db2.gz IZODHWDBEOCBOP-QHCPKHFHSA-N 1 3 394.563 3.775 20 0 GHADHO Cc1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cnc1Cl ZINC000760657300 853656428 /nfs/dbraw/zinc/65/64/28/853656428.db2.gz QKXDHWRFJAKLAF-UHFFFAOYSA-N 1 3 386.971 3.731 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)N(C)C)cc1 ZINC000416005456 853673800 /nfs/dbraw/zinc/67/38/00/853673800.db2.gz IFDQZFQVBUHQLR-JOCHJYFZSA-N 1 3 380.536 3.913 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccsc1 ZINC000669279361 854354037 /nfs/dbraw/zinc/35/40/37/854354037.db2.gz CACWKRDVIZIFBU-QWFCFKBJSA-N 1 3 392.613 3.552 20 0 GHADHO CN(CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001167995448 854468301 /nfs/dbraw/zinc/46/83/01/854468301.db2.gz FXZOFCLXJJYCEJ-WCRBZPEASA-N 1 3 391.600 3.971 20 0 GHADHO CN(CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001167995448 854468307 /nfs/dbraw/zinc/46/83/07/854468307.db2.gz FXZOFCLXJJYCEJ-WCRBZPEASA-N 1 3 391.600 3.971 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000624070532 862623531 /nfs/dbraw/zinc/62/35/31/862623531.db2.gz JMHCDBBFYHJGDS-PWRODBHTSA-N 1 3 385.577 3.593 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000624070532 862623541 /nfs/dbraw/zinc/62/35/41/862623541.db2.gz JMHCDBBFYHJGDS-PWRODBHTSA-N 1 3 385.577 3.593 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189144480 855020791 /nfs/dbraw/zinc/02/07/91/855020791.db2.gz OLDNTRUQQLVVJA-AWEZNQCLSA-N 1 3 377.882 3.722 20 0 GHADHO CC[NH+](CC)CC1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000056494167 855558495 /nfs/dbraw/zinc/55/84/95/855558495.db2.gz BXEHHDUHEMJLPT-UHFFFAOYSA-N 1 3 383.536 3.763 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107826584 855562565 /nfs/dbraw/zinc/56/25/65/855562565.db2.gz CKNPSKAHQXFLOO-RTBURBONSA-N 1 3 390.597 3.545 20 0 GHADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465719493 855684985 /nfs/dbraw/zinc/68/49/85/855684985.db2.gz NLZWJANCSMPUNM-VXKWHMMOSA-N 1 3 386.584 3.585 20 0 GHADHO CN(C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001168004232 855752457 /nfs/dbraw/zinc/75/24/57/855752457.db2.gz RTKYAXXANOEPKW-GURQWTFNSA-N 1 3 377.573 3.581 20 0 GHADHO CN(C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001168004232 855752461 /nfs/dbraw/zinc/75/24/61/855752461.db2.gz RTKYAXXANOEPKW-GURQWTFNSA-N 1 3 377.573 3.581 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C[C@@H]1C ZINC000674031769 862749766 /nfs/dbraw/zinc/74/97/66/862749766.db2.gz ZLNLBKYUYRMRHZ-BVSLBCMMSA-N 1 3 386.584 3.728 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C[C@@H]1C ZINC000674031769 862749775 /nfs/dbraw/zinc/74/97/75/862749775.db2.gz ZLNLBKYUYRMRHZ-BVSLBCMMSA-N 1 3 386.584 3.728 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@](C)(O)C(F)(F)C(F)(F)F)[C@H]1c1cccs1 ZINC000905133597 856180637 /nfs/dbraw/zinc/18/06/37/856180637.db2.gz QMOGHMAFLHJBSW-KWCYVHTRSA-N 1 3 386.430 3.669 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@](C)(O)C(F)(F)C(F)(F)F)[C@H]1c1cccs1 ZINC000905133597 856180641 /nfs/dbraw/zinc/18/06/41/856180641.db2.gz QMOGHMAFLHJBSW-KWCYVHTRSA-N 1 3 386.430 3.669 20 0 GHADHO C[C@H]1C[NH+](CCCCNCc2csc(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000067452733 856266442 /nfs/dbraw/zinc/26/64/42/856266442.db2.gz XWOPBZPWPNUHMJ-HOTGVXAUSA-N 1 3 377.529 3.928 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(OCc3ccccn3)c2)C[C@H](C)O1 ZINC000067452722 856267203 /nfs/dbraw/zinc/26/72/03/856267203.db2.gz GBQSNOSHQNWUEY-BGYRXZFFSA-N 1 3 383.536 3.640 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2OCc2ccccn2)C[C@@H](C)O1 ZINC000067452795 856268276 /nfs/dbraw/zinc/26/82/76/856268276.db2.gz SDKVSLOXQUGMBO-WOJBJXKFSA-N 1 3 383.536 3.640 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000520765449 856384446 /nfs/dbraw/zinc/38/44/46/856384446.db2.gz XUUAKQMTJGKZPF-QGZVFWFLSA-N 1 3 378.520 3.986 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000520765449 856384459 /nfs/dbraw/zinc/38/44/59/856384459.db2.gz XUUAKQMTJGKZPF-QGZVFWFLSA-N 1 3 378.520 3.986 20 0 GHADHO Cc1nn(-c2ccccc2Br)cc1CN1CCC(C[NH+](C)C)CC1 ZINC000656249741 856787146 /nfs/dbraw/zinc/78/71/46/856787146.db2.gz BSNWIIJDGCVMSI-UHFFFAOYSA-N 1 3 391.357 3.717 20 0 GHADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000063463432 856968744 /nfs/dbraw/zinc/96/87/44/856968744.db2.gz SCHACLSBQZGBNR-QHCPKHFHSA-N 1 3 394.563 3.602 20 0 GHADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185683 862871959 /nfs/dbraw/zinc/87/19/59/862871959.db2.gz MYIWBBCKZJHUCG-LPHOPBHVSA-N 1 3 385.474 3.546 20 0 GHADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185683 862871978 /nfs/dbraw/zinc/87/19/78/862871978.db2.gz MYIWBBCKZJHUCG-LPHOPBHVSA-N 1 3 385.474 3.546 20 0 GHADHO CN1CC[C@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000574261348 857477633 /nfs/dbraw/zinc/47/76/33/857477633.db2.gz VHUQNSXBFXDLPO-ZRBLBEILSA-N 1 3 388.515 3.584 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000669483513 857478532 /nfs/dbraw/zinc/47/85/32/857478532.db2.gz ABKKHBSRXXXQGX-AVRDEDQJSA-N 1 3 380.536 3.733 20 0 GHADHO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000486363593 857676603 /nfs/dbraw/zinc/67/66/03/857676603.db2.gz ZVZUSZRSUXAQQF-FXAWDEMLSA-N 1 3 384.520 3.713 20 0 GHADHO Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)c2cc(OC(F)F)ccc2n1 ZINC000486500502 857799260 /nfs/dbraw/zinc/79/92/60/857799260.db2.gz ZNOXKAKJCSJMCA-OAHLLOKOSA-N 1 3 391.462 3.834 20 0 GHADHO Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c2cc(OC(F)F)ccc2n1 ZINC000486500502 857799265 /nfs/dbraw/zinc/79/92/65/857799265.db2.gz ZNOXKAKJCSJMCA-OAHLLOKOSA-N 1 3 391.462 3.834 20 0 GHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442872545 858189752 /nfs/dbraw/zinc/18/97/52/858189752.db2.gz JSEJKMXRPBUQHZ-HNNXBMFYSA-N 1 3 390.572 3.934 20 0 GHADHO COC1CCN(C2(C[NH2+][C@H]3CCN(Cc4ccccc4)C[C@@H]3C)CCCC2)CC1 ZINC000482636018 858725048 /nfs/dbraw/zinc/72/50/48/858725048.db2.gz LCKLJDDRSMTCKL-URXFXBBRSA-N 1 3 399.623 3.910 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C)O1 ZINC000183454763 858750116 /nfs/dbraw/zinc/75/01/16/858750116.db2.gz QLQLAOWGOCIYOH-GASCZTMLSA-N 1 3 392.437 3.746 20 0 GHADHO CN1CCC(CN[C@H](c2ccc(F)cc2)c2ccccn2)([NH+]2CCCCC2)CC1 ZINC000544356775 858969051 /nfs/dbraw/zinc/96/90/51/858969051.db2.gz NXOZRBGTYYPLBA-HSZRJFAPSA-N 1 3 396.554 3.850 20 0 GHADHO Cc1cc(Br)ccc1NC(=O)CCNC1CC[NH+](CC2CC2)CC1 ZINC000543624481 859078184 /nfs/dbraw/zinc/07/81/84/859078184.db2.gz ZRLWUOUIKBKHQV-UHFFFAOYSA-N 1 3 394.357 3.550 20 0 GHADHO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000543624481 859078197 /nfs/dbraw/zinc/07/81/97/859078197.db2.gz ZRLWUOUIKBKHQV-UHFFFAOYSA-N 1 3 394.357 3.550 20 0 GHADHO C[C@H](NC[C@H](O)COc1cccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661992 859114980 /nfs/dbraw/zinc/11/49/80/859114980.db2.gz DVGNJSFGJHNDJV-VCOUNFBDSA-N 1 3 382.548 3.822 20 0 GHADHO C[C@H](NC[C@H](O)COc1cccc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661992 859114983 /nfs/dbraw/zinc/11/49/83/859114983.db2.gz DVGNJSFGJHNDJV-VCOUNFBDSA-N 1 3 382.548 3.822 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000665363802 859134934 /nfs/dbraw/zinc/13/49/34/859134934.db2.gz CDPGGQACASAWPL-HLAWJBBLSA-N 1 3 386.584 3.554 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000665363802 859134937 /nfs/dbraw/zinc/13/49/37/859134937.db2.gz CDPGGQACASAWPL-HLAWJBBLSA-N 1 3 386.584 3.554 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000443653129 859188321 /nfs/dbraw/zinc/18/83/21/859188321.db2.gz LWAVHJJKNZBRNX-GBESFXJTSA-N 1 3 392.613 3.503 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000443653129 859188334 /nfs/dbraw/zinc/18/83/34/859188334.db2.gz LWAVHJJKNZBRNX-GBESFXJTSA-N 1 3 392.613 3.503 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429414998 859313148 /nfs/dbraw/zinc/31/31/48/859313148.db2.gz ZWHGLKPGRUGHRE-NQHRYMMQSA-N 1 3 399.623 3.910 20 0 GHADHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1-n1cncn1 ZINC000509448364 859463836 /nfs/dbraw/zinc/46/38/36/859463836.db2.gz MXMTUQBGALVMFN-QHCPKHFHSA-N 1 3 389.547 3.966 20 0 GHADHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1-n1cncn1 ZINC000509448364 859463838 /nfs/dbraw/zinc/46/38/38/859463838.db2.gz MXMTUQBGALVMFN-QHCPKHFHSA-N 1 3 389.547 3.966 20 0 GHADHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000765033015 859740924 /nfs/dbraw/zinc/74/09/24/859740924.db2.gz GBKHUCUQUREZRW-DLBZAZTESA-N 1 3 381.520 3.924 20 0 GHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000474602805 860447366 /nfs/dbraw/zinc/44/73/66/860447366.db2.gz UIBOKAGKPHRAOK-MKXGPGLRSA-N 1 3 378.557 3.675 20 0 GHADHO COc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc(Br)c1[O-] ZINC000922848067 860663919 /nfs/dbraw/zinc/66/39/19/860663919.db2.gz LXOKIYUAROIJIB-UHFFFAOYSA-N 1 3 383.330 3.660 20 0 GHADHO CO[C@H](C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606120 881583054 /nfs/dbraw/zinc/58/30/54/881583054.db2.gz IKEFLOYOWDDRPK-XZOQPEGZSA-N 1 3 389.584 3.970 20 0 GHADHO CO[C@H](C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606120 881583069 /nfs/dbraw/zinc/58/30/69/881583069.db2.gz IKEFLOYOWDDRPK-XZOQPEGZSA-N 1 3 389.584 3.970 20 0 GHADHO CO[C@@H](C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606118 881583151 /nfs/dbraw/zinc/58/31/51/881583151.db2.gz IKEFLOYOWDDRPK-PKTZIBPZSA-N 1 3 389.584 3.970 20 0 GHADHO CO[C@@H](C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606118 881583163 /nfs/dbraw/zinc/58/31/63/881583163.db2.gz IKEFLOYOWDDRPK-PKTZIBPZSA-N 1 3 389.584 3.970 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H](C)C1 ZINC000481312866 861045540 /nfs/dbraw/zinc/04/55/40/861045540.db2.gz RPVYMTBYHWVQHP-GHTZIAJQSA-N 1 3 375.557 3.630 20 0 GHADHO CCCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000606704174 863769928 /nfs/dbraw/zinc/76/99/28/863769928.db2.gz QLGSVPVIUHWUAV-XZOQPEGZSA-N 1 3 398.595 3.557 20 0 GHADHO CCCN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000606704174 863769937 /nfs/dbraw/zinc/76/99/37/863769937.db2.gz QLGSVPVIUHWUAV-XZOQPEGZSA-N 1 3 398.595 3.557 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 ZINC000158654492 863901802 /nfs/dbraw/zinc/90/18/02/863901802.db2.gz NEVDTVRRIGXRSZ-LJQANCHMSA-N 1 3 380.602 3.695 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N(C)C)[C@H](C)C1 ZINC000480060634 863930144 /nfs/dbraw/zinc/93/01/44/863930144.db2.gz ATCOKABKFXQAFT-JRGCBEDISA-N 1 3 381.992 3.669 20 0 GHADHO CCCc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000621335003 864089957 /nfs/dbraw/zinc/08/99/57/864089957.db2.gz YUMIGKBYWYYVCI-LJQANCHMSA-N 1 3 385.577 3.688 20 0 GHADHO CCCc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000621335003 864089974 /nfs/dbraw/zinc/08/99/74/864089974.db2.gz YUMIGKBYWYYVCI-LJQANCHMSA-N 1 3 385.577 3.688 20 0 GHADHO CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c2ccccc21 ZINC000621751519 864397994 /nfs/dbraw/zinc/39/79/94/864397994.db2.gz IGJFNTRQOGWJJO-JTHBVZDNSA-N 1 3 377.532 3.639 20 0 GHADHO CN(C)C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000555124428 865565546 /nfs/dbraw/zinc/56/55/46/865565546.db2.gz UAHQFEGLQBUUQP-FQEVSTJZSA-N 1 3 394.991 3.898 20 0 GHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(CN2CCCCC2=O)CC1 ZINC000537634111 881897652 /nfs/dbraw/zinc/89/76/52/881897652.db2.gz YCSOCLDHFWVYPS-UHFFFAOYSA-N 1 3 385.596 3.869 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(CN2CCCCC2=O)CC1 ZINC000537634111 881897668 /nfs/dbraw/zinc/89/76/68/881897668.db2.gz YCSOCLDHFWVYPS-UHFFFAOYSA-N 1 3 385.596 3.869 20 0 GHADHO C[C@H](C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)c1ccccc1 ZINC000494563500 881916184 /nfs/dbraw/zinc/91/61/84/881916184.db2.gz NQZNTGCJSYGSTD-OAQYLSRUSA-N 1 3 393.575 3.750 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C(F)F)C3CCCCC3)CC2)CC1 ZINC000623045998 865967083 /nfs/dbraw/zinc/96/70/83/865967083.db2.gz GGHXMZYGSNQMLE-LJQANCHMSA-N 1 3 385.543 3.513 20 0 GHADHO CCN(Cc1ccccc1)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000552784861 866222717 /nfs/dbraw/zinc/22/27/17/866222717.db2.gz FFORRKNXPFKNSO-UHFFFAOYSA-N 1 3 394.563 3.669 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)cc1CN1CCCCC1 ZINC000183096328 866223811 /nfs/dbraw/zinc/22/38/11/866223811.db2.gz VTGRCCFFIOYYNO-BBTUJRGHSA-N 1 3 376.541 3.526 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC4(CCCCC4)C3)CC2)CC1 ZINC000553092840 866759832 /nfs/dbraw/zinc/75/98/32/866759832.db2.gz QRQCWDRLYYPYAN-UHFFFAOYSA-N 1 3 375.601 3.756 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCN1CCc3ccccc3C1)c1ccccc1O2 ZINC000553102383 866803905 /nfs/dbraw/zinc/80/39/05/866803905.db2.gz NOZWLWURQALCDO-HSZRJFAPSA-N 1 3 391.559 3.623 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccccc2OCc2ccccc2)CC1 ZINC000154248603 867319946 /nfs/dbraw/zinc/31/99/46/867319946.db2.gz HNLXHAQNHAJKRU-OAQYLSRUSA-N 1 3 381.564 3.944 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479330116 867576357 /nfs/dbraw/zinc/57/63/57/867576357.db2.gz WYAWYQQPZLNTQY-IBGZPJMESA-N 1 3 394.401 3.789 20 0 GHADHO CN(CCCN(C)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)Cc1ccco1 ZINC000857258050 882149351 /nfs/dbraw/zinc/14/93/51/882149351.db2.gz KCCDZXKGNSVYGA-NRFANRHFSA-N 1 3 383.536 3.683 20 0 GHADHO CN(CCCN(C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)Cc1ccco1 ZINC000857258050 882149359 /nfs/dbraw/zinc/14/93/59/882149359.db2.gz KCCDZXKGNSVYGA-NRFANRHFSA-N 1 3 383.536 3.683 20 0 GHADHO CN(C)Cc1cccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000156027838 868225789 /nfs/dbraw/zinc/22/57/89/868225789.db2.gz NDPUWQBYVTVMAL-UHFFFAOYSA-N 1 3 383.561 3.592 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@H](C)C1 ZINC000479877803 868645295 /nfs/dbraw/zinc/64/52/95/868645295.db2.gz XUTIKIIZCXSCDM-HSALFYBXSA-N 1 3 379.614 3.612 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@H](C)C1 ZINC000479877803 868645298 /nfs/dbraw/zinc/64/52/98/868645298.db2.gz XUTIKIIZCXSCDM-HSALFYBXSA-N 1 3 379.614 3.612 20 0 GHADHO CC[N@H+](CCC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1)CC1CC1 ZINC000540050496 870307359 /nfs/dbraw/zinc/30/73/59/870307359.db2.gz UGHMNZLKSFBQEG-UHFFFAOYSA-N 1 3 384.568 3.966 20 0 GHADHO CC[N@@H+](CCC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1)CC1CC1 ZINC000540050496 870307376 /nfs/dbraw/zinc/30/73/76/870307376.db2.gz UGHMNZLKSFBQEG-UHFFFAOYSA-N 1 3 384.568 3.966 20 0 GHADHO C[C@H](C1CC1)N(C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000248388960 870356414 /nfs/dbraw/zinc/35/64/14/870356414.db2.gz AFFBNNFPDDCNGC-GUDVDZBRSA-N 1 3 383.580 3.522 20 0 GHADHO FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248392871 870363616 /nfs/dbraw/zinc/36/36/16/870363616.db2.gz DKXMGSYVPHYRFY-XRXFAXGQSA-N 1 3 395.513 3.761 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000248395693 870367252 /nfs/dbraw/zinc/36/72/52/870367252.db2.gz GOZVEDZKEIETSS-MLCQCVOFSA-N 1 3 376.548 3.551 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000248395693 870367285 /nfs/dbraw/zinc/36/72/85/870367285.db2.gz GOZVEDZKEIETSS-MLCQCVOFSA-N 1 3 376.548 3.551 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000248395693 870367298 /nfs/dbraw/zinc/36/72/98/870367298.db2.gz GOZVEDZKEIETSS-MLCQCVOFSA-N 1 3 376.548 3.551 20 0 GHADHO Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)CC2)n1 ZINC000248407529 870384419 /nfs/dbraw/zinc/38/44/19/870384419.db2.gz DFKMDWMYLQRBLU-GMKZXUHWSA-N 1 3 390.575 3.859 20 0 GHADHO C[NH+]1CCC(O)(CN[C@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446836800 870522459 /nfs/dbraw/zinc/52/24/59/870522459.db2.gz WRJHERZVQCIYEM-INIZCTEOSA-N 1 3 387.749 3.600 20 0 GHADHO CN1CCC(O)(C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446836800 870522465 /nfs/dbraw/zinc/52/24/65/870522465.db2.gz WRJHERZVQCIYEM-INIZCTEOSA-N 1 3 387.749 3.600 20 0 GHADHO C[C@H](NC[C@H](O)CO[C@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248598544 870525422 /nfs/dbraw/zinc/52/54/22/870525422.db2.gz UJEPUHBBCSXACN-NHTRMHBPSA-N 1 3 386.580 3.684 20 0 GHADHO C[C@H](NC[C@H](O)CO[C@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248598544 870525424 /nfs/dbraw/zinc/52/54/24/870525424.db2.gz UJEPUHBBCSXACN-NHTRMHBPSA-N 1 3 386.580 3.684 20 0 GHADHO C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000248598544 870525436 /nfs/dbraw/zinc/52/54/36/870525436.db2.gz UJEPUHBBCSXACN-NHTRMHBPSA-N 1 3 386.580 3.684 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540160559 870624341 /nfs/dbraw/zinc/62/43/41/870624341.db2.gz NZFIOFIDCDKCCC-CEXWTWQISA-N 1 3 397.332 3.543 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540160562 870624415 /nfs/dbraw/zinc/62/44/15/870624415.db2.gz NZFIOFIDCDKCCC-GUDVDZBRSA-N 1 3 397.332 3.543 20 0 GHADHO CC[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000540162910 870627542 /nfs/dbraw/zinc/62/75/42/870627542.db2.gz LKBHJMZFPWIMFN-GBESFXJTSA-N 1 3 381.358 3.868 20 0 GHADHO C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000540170976 870655932 /nfs/dbraw/zinc/65/59/32/870655932.db2.gz ODFUDIBJEAWYSR-IBGZPJMESA-N 1 3 397.538 3.762 20 0 GHADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000540261617 870866620 /nfs/dbraw/zinc/86/66/20/870866620.db2.gz KNNXFGCQDWNTOY-XMMPIXPASA-N 1 3 380.580 3.966 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001168826197 870880453 /nfs/dbraw/zinc/88/04/53/870880453.db2.gz PHBCREDERIBAJV-LJQANCHMSA-N 1 3 396.453 3.639 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)CCN1Cc1ccccc1 ZINC000463206905 871137684 /nfs/dbraw/zinc/13/76/84/871137684.db2.gz QRTHEVQTYFGMNT-YKSBVNFPSA-N 1 3 377.576 3.728 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120228 871211096 /nfs/dbraw/zinc/21/10/96/871211096.db2.gz ZUGIAVBGXNQNEO-KHUIQGCPSA-N 1 3 380.532 3.688 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120228 871211117 /nfs/dbraw/zinc/21/11/17/871211117.db2.gz ZUGIAVBGXNQNEO-KHUIQGCPSA-N 1 3 380.532 3.688 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCc4cccc(N5CCOCC5)c4)[C@H]3C2)cc1 ZINC000550857478 882519195 /nfs/dbraw/zinc/51/91/95/882519195.db2.gz UHOMKROZFHAHEN-ZKMPZPQNSA-N 1 3 391.559 3.523 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCc4cccc(N5CCOCC5)c4)[C@H]3C2)cc1 ZINC000550857478 882519201 /nfs/dbraw/zinc/51/92/01/882519201.db2.gz UHOMKROZFHAHEN-ZKMPZPQNSA-N 1 3 391.559 3.523 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]Cc4cccc(N5CCOCC5)c4)[C@H]3C2)cc1 ZINC000550857478 882519206 /nfs/dbraw/zinc/51/92/06/882519206.db2.gz UHOMKROZFHAHEN-ZKMPZPQNSA-N 1 3 391.559 3.523 20 0 GHADHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@H]1CCCc2ccc(Br)cc21 ZINC000539237448 871573626 /nfs/dbraw/zinc/57/36/26/871573626.db2.gz KAYJGOHQQVMDFV-FQEVSTJZSA-N 1 3 394.401 3.784 20 0 GHADHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CCCc2ccc(Br)cc21 ZINC000539237448 871573646 /nfs/dbraw/zinc/57/36/46/871573646.db2.gz KAYJGOHQQVMDFV-FQEVSTJZSA-N 1 3 394.401 3.784 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000539307130 871698962 /nfs/dbraw/zinc/69/89/62/871698962.db2.gz QJYMKZKWYFRGKY-JRGCBEDISA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000539307130 871698969 /nfs/dbraw/zinc/69/89/69/871698969.db2.gz QJYMKZKWYFRGKY-JRGCBEDISA-N 1 3 378.582 3.506 20 0 GHADHO CCOC(=O)N1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001169665013 871733126 /nfs/dbraw/zinc/73/31/26/871733126.db2.gz VAGWLCFSMGNYKG-FQEVSTJZSA-N 1 3 391.531 3.638 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NCCOc1ncccc1Cl)c1ccccc1O2 ZINC000539394549 871848421 /nfs/dbraw/zinc/84/84/21/871848421.db2.gz PPDJPQMQSPGSJA-SFHVURJKSA-N 1 3 387.911 3.692 20 0 GHADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821428 871849474 /nfs/dbraw/zinc/84/94/74/871849474.db2.gz XCBPVSNURWXLTQ-HSALFYBXSA-N 1 3 386.584 3.798 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477916618 872176021 /nfs/dbraw/zinc/17/60/21/872176021.db2.gz RDRPOKLOLBVURM-HNNXBMFYSA-N 1 3 396.373 3.878 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477916618 872176031 /nfs/dbraw/zinc/17/60/31/872176031.db2.gz RDRPOKLOLBVURM-HNNXBMFYSA-N 1 3 396.373 3.878 20 0 GHADHO CCN(C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCN(C)C1 ZINC000667284285 872400661 /nfs/dbraw/zinc/40/06/61/872400661.db2.gz RCWUOPJVMOTAAN-IBGZPJMESA-N 1 3 390.597 3.823 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1CN1CCCCC1 ZINC000182493749 872434580 /nfs/dbraw/zinc/43/45/80/872434580.db2.gz KBQJPRVGOSVFLE-IBGZPJMESA-N 1 3 387.568 3.734 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000093844585 872450823 /nfs/dbraw/zinc/45/08/23/872450823.db2.gz ZUPASEATSVYEFW-IBGZPJMESA-N 1 3 381.568 3.959 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000093844585 872450835 /nfs/dbraw/zinc/45/08/35/872450835.db2.gz ZUPASEATSVYEFW-IBGZPJMESA-N 1 3 381.568 3.959 20 0 GHADHO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)C1 ZINC000857926385 882643503 /nfs/dbraw/zinc/64/35/03/882643503.db2.gz UHOXIFIJYBKOAJ-IXDOHACOSA-N 1 3 384.442 3.644 20 0 GHADHO COc1cc(NCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000552580737 872850904 /nfs/dbraw/zinc/85/09/04/872850904.db2.gz ASPVBXSXELOERI-AZUAARDMSA-N 1 3 383.536 3.758 20 0 GHADHO COc1cc(NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000552580737 872850911 /nfs/dbraw/zinc/85/09/11/872850911.db2.gz ASPVBXSXELOERI-AZUAARDMSA-N 1 3 383.536 3.758 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000527660171 873411159 /nfs/dbraw/zinc/41/11/59/873411159.db2.gz DCYPVMZJIYGBKZ-HNAYVOBHSA-N 1 3 388.474 3.941 20 0 GHADHO CC(C)CN(CC(=O)Nc1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC001197194539 873644266 /nfs/dbraw/zinc/64/42/66/873644266.db2.gz QASBHSTYOJBVAJ-UHFFFAOYSA-N 1 3 396.373 3.687 20 0 GHADHO CCN(Cc1cn(-c2ccncc2)nc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541537665 873790062 /nfs/dbraw/zinc/79/00/62/873790062.db2.gz ZPBDYJHVLPFINJ-JOCHJYFZSA-N 1 3 389.547 3.920 20 0 GHADHO CCN(Cc1cn(-c2ccncc2)nc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541537665 873790076 /nfs/dbraw/zinc/79/00/76/873790076.db2.gz ZPBDYJHVLPFINJ-JOCHJYFZSA-N 1 3 389.547 3.920 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C[C@@H](C)O1 ZINC000541537063 873828367 /nfs/dbraw/zinc/82/83/67/873828367.db2.gz GQALNTPULKWQRI-QZTJIDSGSA-N 1 3 388.581 3.645 20 0 GHADHO CC[NH+](CC)Cc1ccc(CN[C@H](CN2CCOCC2)c2ccccc2C)cc1 ZINC000541548009 873845396 /nfs/dbraw/zinc/84/53/96/873845396.db2.gz AXXHXAVXXNUBGC-RUZDIDTESA-N 1 3 395.591 4.000 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000541547843 873847114 /nfs/dbraw/zinc/84/71/14/873847114.db2.gz XSMAPJPKFUYITD-GBXCKJPGSA-N 1 3 379.548 3.666 20 0 GHADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464650985 874234795 /nfs/dbraw/zinc/23/47/95/874234795.db2.gz PKMXWNKYJJPOJI-REWPJTCUSA-N 1 3 385.596 3.520 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000449100316 874471251 /nfs/dbraw/zinc/47/12/51/874471251.db2.gz BNJIJHDSJBRPLO-GBXCKJPGSA-N 1 3 393.575 3.891 20 0 GHADHO C[N@H+](CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC000302926569 874590866 /nfs/dbraw/zinc/59/08/66/874590866.db2.gz DEPGHYFTXHHLLQ-QFIPXVFZSA-N 1 3 386.584 3.777 20 0 GHADHO C[N@@H+](CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC000302926569 874590876 /nfs/dbraw/zinc/59/08/76/874590876.db2.gz DEPGHYFTXHHLLQ-QFIPXVFZSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000449197737 874596600 /nfs/dbraw/zinc/59/66/00/874596600.db2.gz XJEUVAKJFBLGRP-RXVVDRJESA-N 1 3 398.982 3.999 20 0 GHADHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@H+](CC2CCCC2)C3)c1 ZINC001202161404 876037022 /nfs/dbraw/zinc/03/70/22/876037022.db2.gz UCVDIRXSLJOKBE-ZEQRLZLVSA-N 1 3 383.580 3.822 20 0 GHADHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](CC2CCCC2)C3)c1 ZINC001202161404 876037035 /nfs/dbraw/zinc/03/70/35/876037035.db2.gz UCVDIRXSLJOKBE-ZEQRLZLVSA-N 1 3 383.580 3.822 20 0 GHADHO C[C@@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620814 876666116 /nfs/dbraw/zinc/66/61/16/876666116.db2.gz ZCLXUSXPGLOUJC-NEAWWFDSSA-N 1 3 394.987 3.811 20 0 GHADHO C[C@@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620814 876666120 /nfs/dbraw/zinc/66/61/20/876666120.db2.gz ZCLXUSXPGLOUJC-NEAWWFDSSA-N 1 3 394.987 3.811 20 0 GHADHO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(CN2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620814 876666127 /nfs/dbraw/zinc/66/61/27/876666127.db2.gz ZCLXUSXPGLOUJC-NEAWWFDSSA-N 1 3 394.987 3.811 20 0 GHADHO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(CN2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620814 876666136 /nfs/dbraw/zinc/66/61/36/876666136.db2.gz ZCLXUSXPGLOUJC-NEAWWFDSSA-N 1 3 394.987 3.811 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccsc1 ZINC000173823168 876668503 /nfs/dbraw/zinc/66/85/03/876668503.db2.gz PXZVGHMCJAUOEV-HSALFYBXSA-N 1 3 392.613 3.788 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccsc1 ZINC000173823168 876668510 /nfs/dbraw/zinc/66/85/10/876668510.db2.gz PXZVGHMCJAUOEV-HSALFYBXSA-N 1 3 392.613 3.788 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000537662154 883059803 /nfs/dbraw/zinc/05/98/03/883059803.db2.gz XJDSQFOBDIHXJU-QZTJIDSGSA-N 1 3 390.616 3.966 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000537662154 883059821 /nfs/dbraw/zinc/05/98/21/883059821.db2.gz XJDSQFOBDIHXJU-QZTJIDSGSA-N 1 3 390.616 3.966 20 0 GHADHO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2c(c1)CCCO2 ZINC000850440462 876924709 /nfs/dbraw/zinc/92/47/09/876924709.db2.gz YIBPPFZXRSMEJQ-SFHVURJKSA-N 1 3 380.532 3.819 20 0 GHADHO COC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C1CCOCC1 ZINC000850492534 876970161 /nfs/dbraw/zinc/97/01/61/876970161.db2.gz CCCKIFPWMXFJQC-AVRDEDQJSA-N 1 3 390.568 3.773 20 0 GHADHO O=C(NCCCCCCC[NH+]1CCCC1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850761046 877148157 /nfs/dbraw/zinc/14/81/57/877148157.db2.gz GDNAGSFJCBPHMR-OAQYLSRUSA-N 1 3 388.556 3.515 20 0 GHADHO CCC(CC)(CNC(=O)N1CC[C@H](N2CC=CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000174891961 877312286 /nfs/dbraw/zinc/31/22/86/877312286.db2.gz LQJWFDKRRCCFSX-CTNGQTDRSA-N 1 3 384.568 3.552 20 0 GHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248818 877330933 /nfs/dbraw/zinc/33/09/33/877330933.db2.gz PPJGSRGCKOKERR-JOCHJYFZSA-N 1 3 396.579 3.760 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000642638112 912239035 /nfs/dbraw/zinc/23/90/35/912239035.db2.gz GIDIZPDMSBVTMT-XZOQPEGZSA-N 1 3 394.563 3.643 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000175537909 877758618 /nfs/dbraw/zinc/75/86/18/877758618.db2.gz DLNSEQCGXGBPAG-QFIPXVFZSA-N 1 3 386.584 3.558 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000788240278 877938802 /nfs/dbraw/zinc/93/88/02/877938802.db2.gz JHNHFLJSHSDFCR-UAFMIMERSA-N 1 3 397.604 3.691 20 0 GHADHO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H](n4cc(CN)nn4)C3)ccc21 ZINC000667041156 878584191 /nfs/dbraw/zinc/58/41/91/878584191.db2.gz LNLFBHIBCZXLFQ-LJQANCHMSA-N 1 3 388.519 3.702 20 0 GHADHO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H](n4cc(CN)nn4)C3)ccc21 ZINC000667041156 878584210 /nfs/dbraw/zinc/58/42/10/878584210.db2.gz LNLFBHIBCZXLFQ-LJQANCHMSA-N 1 3 388.519 3.702 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246050808 878903440 /nfs/dbraw/zinc/90/34/40/878903440.db2.gz PNYWRXPDLJOCDW-JRGCBEDISA-N 1 3 378.582 3.506 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246050808 878903444 /nfs/dbraw/zinc/90/34/44/878903444.db2.gz PNYWRXPDLJOCDW-JRGCBEDISA-N 1 3 378.582 3.506 20 0 GHADHO Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]4CCN(C5CC5)C4)cc3)nc12 ZINC000068840067 879089332 /nfs/dbraw/zinc/08/93/32/879089332.db2.gz LQWPYXVRSLWHTM-FQEVSTJZSA-N 1 3 390.531 3.796 20 0 GHADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000538397795 879419782 /nfs/dbraw/zinc/41/97/82/879419782.db2.gz BRHFVELYIVIQPP-OAHLLOKOSA-N 1 3 394.357 3.874 20 0 GHADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139792 879826130 /nfs/dbraw/zinc/82/61/30/879826130.db2.gz VZVJODSXSVXQCG-QLBRKBSLSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139792 879826146 /nfs/dbraw/zinc/82/61/46/879826146.db2.gz VZVJODSXSVXQCG-QLBRKBSLSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182911146 880037195 /nfs/dbraw/zinc/03/71/95/880037195.db2.gz MMDSDPLKZBJRLW-IFMALSPDSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182911146 880037212 /nfs/dbraw/zinc/03/72/12/880037212.db2.gz MMDSDPLKZBJRLW-IFMALSPDSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000531738024 880368549 /nfs/dbraw/zinc/36/85/49/880368549.db2.gz CSLULPKYGZXTRC-BMFZPTHFSA-N 1 3 387.446 3.765 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000531738024 880368555 /nfs/dbraw/zinc/36/85/55/880368555.db2.gz CSLULPKYGZXTRC-BMFZPTHFSA-N 1 3 387.446 3.765 20 0 GHADHO CC(C)[NH+](CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(C)C ZINC000509482007 880441352 /nfs/dbraw/zinc/44/13/52/880441352.db2.gz XUHLSWJPFHDVKD-HXUWFJFHSA-N 1 3 399.501 3.676 20 0 GHADHO CCC(CC)(CNC(=O)OC(C)(C)C)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001183533374 912641004 /nfs/dbraw/zinc/64/10/04/912641004.db2.gz KMCUIPGARUNKLX-SFHVURJKSA-N 1 3 390.572 3.923 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000073918967 881159817 /nfs/dbraw/zinc/15/98/17/881159817.db2.gz MWFAIHLEAPSLJL-IRLDBZIGSA-N 1 3 386.584 3.505 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000073918967 881159823 /nfs/dbraw/zinc/15/98/23/881159823.db2.gz MWFAIHLEAPSLJL-IRLDBZIGSA-N 1 3 386.584 3.505 20 0 GHADHO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001170275786 881291952 /nfs/dbraw/zinc/29/19/52/881291952.db2.gz XOVCBQGYFNLRKT-UCNVEGJOSA-N 1 3 376.972 3.951 20 0 GHADHO C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001170275786 881291960 /nfs/dbraw/zinc/29/19/60/881291960.db2.gz XOVCBQGYFNLRKT-UCNVEGJOSA-N 1 3 376.972 3.951 20 0 GHADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858492523 883144810 /nfs/dbraw/zinc/14/48/10/883144810.db2.gz YGGBWDLOLZUNSC-OALUTQOASA-N 1 3 385.552 3.553 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000556217604 884117075 /nfs/dbraw/zinc/11/70/75/884117075.db2.gz NFWWVOHCMYAESI-OFNKIYASSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@@H](NCc1cccc(N2CCOCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556217604 884117086 /nfs/dbraw/zinc/11/70/86/884117086.db2.gz NFWWVOHCMYAESI-OFNKIYASSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@@H](NCc1cccc(N2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556217604 884117095 /nfs/dbraw/zinc/11/70/95/884117095.db2.gz NFWWVOHCMYAESI-OFNKIYASSA-N 1 3 379.548 3.523 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNC(=O)c3cccc(CN(C)C)c3)cc2)CC1 ZINC000498565191 884851811 /nfs/dbraw/zinc/85/18/11/884851811.db2.gz AGZFQSOJTGTWMU-UHFFFAOYSA-N 1 3 379.548 3.910 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)N(C)C)cc1 ZINC000498597723 884959401 /nfs/dbraw/zinc/95/94/01/884959401.db2.gz LVGQEASWTYDNJY-HSZRJFAPSA-N 1 3 379.548 3.878 20 0 GHADHO CN(C)C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000498616962 885079195 /nfs/dbraw/zinc/07/91/95/885079195.db2.gz NPCYZMCMRCCEQP-NRFANRHFSA-N 1 3 390.547 3.525 20 0 GHADHO CCC[N@H+](Cc1cc(C)c(I)c(C)c1)C1CCNCC1 ZINC001236183922 885248189 /nfs/dbraw/zinc/24/81/89/885248189.db2.gz BRZWTMFZBSZNQZ-UHFFFAOYSA-N 1 3 386.321 3.872 20 0 GHADHO CCC[N@@H+](Cc1cc(C)c(I)c(C)c1)C1CCNCC1 ZINC001236183922 885248205 /nfs/dbraw/zinc/24/82/05/885248205.db2.gz BRZWTMFZBSZNQZ-UHFFFAOYSA-N 1 3 386.321 3.872 20 0 GHADHO CCCN(Cc1cc(C)c(I)c(C)c1)C1CC[NH2+]CC1 ZINC001236183922 885248223 /nfs/dbraw/zinc/24/82/23/885248223.db2.gz BRZWTMFZBSZNQZ-UHFFFAOYSA-N 1 3 386.321 3.872 20 0 GHADHO Cc1nsc2nc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)ccc12 ZINC001170524826 885453385 /nfs/dbraw/zinc/45/33/85/885453385.db2.gz NKPHXOHGCACWRG-UHFFFAOYSA-N 1 3 391.544 3.909 20 0 GHADHO C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498721408 885481931 /nfs/dbraw/zinc/48/19/31/885481931.db2.gz LFJHWXFIJSTIED-IFMALSPDSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498721408 885481935 /nfs/dbraw/zinc/48/19/35/885481935.db2.gz LFJHWXFIJSTIED-IFMALSPDSA-N 1 3 398.595 3.557 20 0 GHADHO Cc1nc2c(c(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)n1)CCCC2 ZINC001170526212 885486657 /nfs/dbraw/zinc/48/66/57/885486657.db2.gz WIODTZHDKIOMQZ-UHFFFAOYSA-N 1 3 389.547 3.573 20 0 GHADHO C[NH+](C)CCCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001184058783 912987636 /nfs/dbraw/zinc/98/76/36/912987636.db2.gz KYSFTCCEOURDNI-UHFFFAOYSA-N 1 3 394.563 3.679 20 0 GHADHO CC1CC[NH+](Cc2ccc(-c3noc([C@H]4CN5CCC[C@@H]5CO4)n3)cc2)CC1 ZINC000923824809 885998406 /nfs/dbraw/zinc/99/84/06/885998406.db2.gz IUTGTFHUMFEOIF-WOJBJXKFSA-N 1 3 382.508 3.504 20 0 GHADHO C[C@H]1CN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000644160923 913079538 /nfs/dbraw/zinc/07/95/38/913079538.db2.gz KSZFGCMSJBKVKI-NFBKMPQASA-N 1 3 398.595 3.729 20 0 GHADHO C[C@H]1CN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000644160923 913079556 /nfs/dbraw/zinc/07/95/56/913079556.db2.gz KSZFGCMSJBKVKI-NFBKMPQASA-N 1 3 398.595 3.729 20 0 GHADHO C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000125177949 886835385 /nfs/dbraw/zinc/83/53/85/886835385.db2.gz HAEHQKXRCTWRHO-ROUUACIJSA-N 1 3 376.508 3.539 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237085684 886909267 /nfs/dbraw/zinc/90/92/67/886909267.db2.gz XYIFDMAQYBOXJV-HYVNUMGLSA-N 1 3 385.474 3.578 20 0 GHADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237085684 886909280 /nfs/dbraw/zinc/90/92/80/886909280.db2.gz XYIFDMAQYBOXJV-HYVNUMGLSA-N 1 3 385.474 3.578 20 0 GHADHO Brc1ccc2[nH]c(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1 ZINC000655757179 887325149 /nfs/dbraw/zinc/32/51/49/887325149.db2.gz PEEIRIXDWSJVDR-SFHVURJKSA-N 1 3 392.341 3.663 20 0 GHADHO CSc1ccc([C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000454260092 887792313 /nfs/dbraw/zinc/79/23/13/887792313.db2.gz PKBKFQYJINWRPU-FQEVSTJZSA-N 1 3 386.565 3.895 20 0 GHADHO [NH3+]Cc1cccc(NC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC001170597221 888168380 /nfs/dbraw/zinc/16/83/80/888168380.db2.gz WDYLMCUJKIAOFR-XMMPIXPASA-N 1 3 375.516 3.621 20 0 GHADHO O=C(c1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1)N1CCCC1 ZINC000865437754 888350334 /nfs/dbraw/zinc/35/03/34/888350334.db2.gz FEDXEHJKIHAIIA-HXUWFJFHSA-N 1 3 397.588 3.986 20 0 GHADHO O=C(c1ccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1)N1CCCC1 ZINC000865437754 888350344 /nfs/dbraw/zinc/35/03/44/888350344.db2.gz FEDXEHJKIHAIIA-HXUWFJFHSA-N 1 3 397.588 3.986 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccsc1 ZINC000465516256 888432158 /nfs/dbraw/zinc/43/21/58/888432158.db2.gz ALFHYELXOOUJCE-LJQANCHMSA-N 1 3 380.602 3.552 20 0 GHADHO CN1CCC[N@H+](CCCNCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000729684574 888661744 /nfs/dbraw/zinc/66/17/44/888661744.db2.gz SKGBXNLMVODOCW-UHFFFAOYSA-N 1 3 384.549 3.674 20 0 GHADHO CN1CCC[N@@H+](CCCNCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000729684574 888661753 /nfs/dbraw/zinc/66/17/53/888661753.db2.gz SKGBXNLMVODOCW-UHFFFAOYSA-N 1 3 384.549 3.674 20 0 GHADHO Cc1cc(CNCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(C)o1 ZINC000120968294 888797756 /nfs/dbraw/zinc/79/77/56/888797756.db2.gz XNXWSNWTNSZHRW-UHFFFAOYSA-N 1 3 381.442 3.957 20 0 GHADHO CC(C)[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000532908712 889255202 /nfs/dbraw/zinc/25/52/02/889255202.db2.gz WGSKHLAYYIPQHY-XMMPIXPASA-N 1 3 379.548 3.886 20 0 GHADHO O=C(CC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000644545405 913354855 /nfs/dbraw/zinc/35/48/55/913354855.db2.gz SJQNLWBFWKGBDV-LJQANCHMSA-N 1 3 385.939 3.823 20 0 GHADHO O=C(CCNC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000644545405 913354860 /nfs/dbraw/zinc/35/48/60/913354860.db2.gz SJQNLWBFWKGBDV-LJQANCHMSA-N 1 3 385.939 3.823 20 0 GHADHO O=C(CCNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000644545405 913354880 /nfs/dbraw/zinc/35/48/80/913354880.db2.gz SJQNLWBFWKGBDV-LJQANCHMSA-N 1 3 385.939 3.823 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125902969 890245942 /nfs/dbraw/zinc/24/59/42/890245942.db2.gz HBEGJNUDLNLPJK-HOTGVXAUSA-N 1 3 381.948 3.776 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125902969 890245955 /nfs/dbraw/zinc/24/59/55/890245955.db2.gz HBEGJNUDLNLPJK-HOTGVXAUSA-N 1 3 381.948 3.776 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125902969 890245967 /nfs/dbraw/zinc/24/59/67/890245967.db2.gz HBEGJNUDLNLPJK-HOTGVXAUSA-N 1 3 381.948 3.776 20 0 GHADHO C[C@@H](c1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1)C(F)(F)F ZINC000455208491 890542323 /nfs/dbraw/zinc/54/23/23/890542323.db2.gz MCHIPHZESGWQLT-HNNXBMFYSA-N 1 3 397.485 3.641 20 0 GHADHO c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCCC2 ZINC000126711217 890660066 /nfs/dbraw/zinc/66/00/66/890660066.db2.gz VEBKRJFYOLNPHA-JPYJTQIMSA-N 1 3 384.564 3.870 20 0 GHADHO C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000812841545 891028890 /nfs/dbraw/zinc/02/88/90/891028890.db2.gz ALAXXYHRBQWLEX-WOJBJXKFSA-N 1 3 384.612 3.964 20 0 GHADHO CN1CC[C@H]2CCN(C(=O)NCc3ccccc3C[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC000497400030 891499278 /nfs/dbraw/zinc/49/92/78/891499278.db2.gz HYYVNIVQGWYUTE-CVDCTZTESA-N 1 3 398.595 3.687 20 0 GHADHO CN1CC[C@H]2CCN(C(=O)NCc3ccccc3C[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC000497400030 891499283 /nfs/dbraw/zinc/49/92/83/891499283.db2.gz HYYVNIVQGWYUTE-CVDCTZTESA-N 1 3 398.595 3.687 20 0 GHADHO COc1ccc2oc([C@H](C)[NH2+]Cc3cccc(-n4cc(CN)nn4)c3)c(C)c2c1 ZINC000873247742 891548471 /nfs/dbraw/zinc/54/84/71/891548471.db2.gz SUARFKGRLABGPI-HNNXBMFYSA-N 1 3 391.475 3.640 20 0 GHADHO CC(C)c1ccc(/C=C/CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000162324603 892188127 /nfs/dbraw/zinc/18/81/27/892188127.db2.gz IREJSJUDCXNUIX-SNAWJCMRSA-N 1 3 383.580 3.888 20 0 GHADHO CC(C)Oc1ccc([C@@H](O)CNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000125411108 892612198 /nfs/dbraw/zinc/61/21/98/892612198.db2.gz SPIYTZBQBUVBEF-DEOSSOPVSA-N 1 3 382.548 3.804 20 0 GHADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(N2CCOCC2)c1 ZINC000508716905 892842692 /nfs/dbraw/zinc/84/26/92/892842692.db2.gz GVNRBEVWGNEDSC-XUZZJYLKSA-N 1 3 393.575 3.832 20 0 GHADHO COc1c(Br)cc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000666852226 893363371 /nfs/dbraw/zinc/36/33/71/893363371.db2.gz RJNORRAJPNRABX-WDEREUQCSA-N 1 3 392.135 3.580 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000563200181 893472820 /nfs/dbraw/zinc/47/28/20/893472820.db2.gz CDLMWGOCSLFHSW-NRFANRHFSA-N 1 3 397.588 3.857 20 0 GHADHO Cc1cc(Cl)ccc1CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000129566340 893642008 /nfs/dbraw/zinc/64/20/08/893642008.db2.gz XANMTRHHARUFMG-FQEVSTJZSA-N 1 3 385.939 3.636 20 0 GHADHO Cc1cc(Cl)ccc1CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000129566340 893642015 /nfs/dbraw/zinc/64/20/15/893642015.db2.gz XANMTRHHARUFMG-FQEVSTJZSA-N 1 3 385.939 3.636 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N([C@@H](C)c3ccccc3)C3CC3)CC2)CC1 ZINC000563372828 893673617 /nfs/dbraw/zinc/67/36/17/893673617.db2.gz CVRQYZVMDIPVMK-IBGZPJMESA-N 1 3 383.580 3.935 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000563382810 893683838 /nfs/dbraw/zinc/68/38/38/893683838.db2.gz IUXHUPHJVBVBSC-UHFFFAOYSA-N 1 3 385.552 3.610 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC2)CC1 ZINC000878323395 894194006 /nfs/dbraw/zinc/19/40/06/894194006.db2.gz WUFNKAGKYSMKDJ-ZEQRLZLVSA-N 1 3 385.596 3.787 20 0 GHADHO CC[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049292 894266914 /nfs/dbraw/zinc/26/69/14/894266914.db2.gz APUCWSPPXXSERG-FPOVZHCZSA-N 1 3 387.568 3.603 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2cccc(C)c2)c1 ZINC000563975185 894390089 /nfs/dbraw/zinc/39/00/89/894390089.db2.gz SBONDCKGXDCBBV-UHFFFAOYSA-N 1 3 396.579 3.720 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2cccc(C)c2)c1 ZINC000563975185 894390097 /nfs/dbraw/zinc/39/00/97/894390097.db2.gz SBONDCKGXDCBBV-UHFFFAOYSA-N 1 3 396.579 3.720 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCCOC4CCOCC4)[C@H]3C2)cc1 ZINC000564236648 894754194 /nfs/dbraw/zinc/75/41/94/894754194.db2.gz BUGTYGFYBVCOPD-OEMFJLHTSA-N 1 3 386.580 3.853 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000565676727 895800910 /nfs/dbraw/zinc/80/09/10/895800910.db2.gz DPEUSPIGVNWGCJ-CRAIPNDOSA-N 1 3 389.531 3.725 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)(N2CCCCC2)CC1 ZINC000565723347 895833305 /nfs/dbraw/zinc/83/33/05/895833305.db2.gz UAPYNJARZWPBOD-NJDAHSKKSA-N 1 3 375.601 3.659 20 0 GHADHO COc1ccc(OC)c([C@H](O)CNCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000818959829 896295917 /nfs/dbraw/zinc/29/59/17/896295917.db2.gz UQJUPNCGJUZSHC-FDDCHVKYSA-N 1 3 398.547 3.901 20 0 GHADHO COc1ccc(OC)c([C@H](O)CNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000818959829 896295931 /nfs/dbraw/zinc/29/59/31/896295931.db2.gz UQJUPNCGJUZSHC-FDDCHVKYSA-N 1 3 398.547 3.901 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000566430951 896308451 /nfs/dbraw/zinc/30/84/51/896308451.db2.gz MPBGNQZYMQRWQM-MRXNPFEDSA-N 1 3 393.522 3.681 20 0 GHADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819283554 896526851 /nfs/dbraw/zinc/52/68/51/896526851.db2.gz KZCMLVSTYYMOLZ-LADGPHEKSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819283554 896526866 /nfs/dbraw/zinc/52/68/66/896526866.db2.gz KZCMLVSTYYMOLZ-LADGPHEKSA-N 1 3 382.548 3.545 20 0 GHADHO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000778554430 896570092 /nfs/dbraw/zinc/57/00/92/896570092.db2.gz YEVQXJWOLUIVCZ-OYDLWJJNSA-N 1 3 391.559 3.678 20 0 GHADHO CC(C)C[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC001136363344 897454949 /nfs/dbraw/zinc/45/49/49/897454949.db2.gz VULDYLUXQFOERY-QHCPKHFHSA-N 1 3 385.596 3.944 20 0 GHADHO C[NH+](C)C1CCN(CCN[C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820812572 897540048 /nfs/dbraw/zinc/54/00/48/897540048.db2.gz NQYGZQHQSZGMMC-NRFANRHFSA-N 1 3 375.944 3.832 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000132438103 897785997 /nfs/dbraw/zinc/78/59/97/897785997.db2.gz ZNYYSSCNRWNHAH-UDEWTMQYSA-N 1 3 385.552 3.781 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000132438103 897786009 /nfs/dbraw/zinc/78/60/09/897786009.db2.gz ZNYYSSCNRWNHAH-UDEWTMQYSA-N 1 3 385.552 3.781 20 0 GHADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4Cl)s3)C2)nn1 ZINC000569691678 898889563 /nfs/dbraw/zinc/88/95/63/898889563.db2.gz PFSINPIYUPYJAQ-OAHLLOKOSA-N 1 3 387.940 3.956 20 0 GHADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4Cl)s3)C2)nn1 ZINC000569691678 898889572 /nfs/dbraw/zinc/88/95/72/898889572.db2.gz PFSINPIYUPYJAQ-OAHLLOKOSA-N 1 3 387.940 3.956 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)COC3)CC2 ZINC001137024049 900113796 /nfs/dbraw/zinc/11/37/96/900113796.db2.gz ONVZXZLIDLUFKV-XMMPIXPASA-N 1 3 392.543 3.972 20 0 GHADHO C[C@@H]1C[C@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc21 ZINC000572519472 900213799 /nfs/dbraw/zinc/21/37/99/900213799.db2.gz FMIQRERTWCQBDD-LLBVYWAGSA-N 1 3 377.532 3.722 20 0 GHADHO C[C@@H]1C[C@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc21 ZINC000572519472 900213803 /nfs/dbraw/zinc/21/38/03/900213803.db2.gz FMIQRERTWCQBDD-LLBVYWAGSA-N 1 3 377.532 3.722 20 0 GHADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329389 900703397 /nfs/dbraw/zinc/70/33/97/900703397.db2.gz NHOVUYGUKRNSKW-MGPUTAFESA-N 1 3 380.504 3.822 20 0 GHADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329389 900703404 /nfs/dbraw/zinc/70/34/04/900703404.db2.gz NHOVUYGUKRNSKW-MGPUTAFESA-N 1 3 380.504 3.822 20 0 GHADHO CN(Cc1c[nH]nc1-c1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645255 901503011 /nfs/dbraw/zinc/50/30/11/901503011.db2.gz UHTQRUWNFSJAQA-UHFFFAOYSA-N 1 3 393.510 3.750 20 0 GHADHO CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)c2ccccc2)CC1 ZINC000576490974 902051743 /nfs/dbraw/zinc/05/17/43/902051743.db2.gz FCCSXIVXPTWKEI-QFIPXVFZSA-N 1 3 378.520 3.885 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126768469 902365813 /nfs/dbraw/zinc/36/58/13/902365813.db2.gz VGSHSKWSPNVIDQ-UZLBHIALSA-N 1 3 381.520 3.583 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126768469 902365822 /nfs/dbraw/zinc/36/58/22/902365822.db2.gz VGSHSKWSPNVIDQ-UZLBHIALSA-N 1 3 381.520 3.583 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3OCC3CC3)CC2)CC1 ZINC000577076305 902487097 /nfs/dbraw/zinc/48/70/97/902487097.db2.gz PUSVQJKNZVZGHB-UHFFFAOYSA-N 1 3 385.552 3.610 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(OCC(C)C)c3)CC2)CC1 ZINC000577384773 902730062 /nfs/dbraw/zinc/73/00/62/902730062.db2.gz JCRXOKIZHRGBOM-UHFFFAOYSA-N 1 3 387.568 3.856 20 0 GHADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000779014926 902867505 /nfs/dbraw/zinc/86/75/05/902867505.db2.gz RKENETOHJGKUPY-WBVHZDCISA-N 1 3 388.556 3.550 20 0 GHADHO CC[NH+]1CCC(CNCc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000600797064 902930298 /nfs/dbraw/zinc/93/02/98/902930298.db2.gz FYKWANWSXDMBDE-UHFFFAOYSA-N 1 3 377.330 3.661 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000600900056 903070939 /nfs/dbraw/zinc/07/09/39/903070939.db2.gz PVLVDIYOUCYDLX-QFIPXVFZSA-N 1 3 386.584 3.779 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1Br ZINC000132745396 903303260 /nfs/dbraw/zinc/30/32/60/903303260.db2.gz REGZLMMPGBUOBT-GJZGRUSLSA-N 1 3 397.357 3.609 20 0 GHADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000601270258 903520632 /nfs/dbraw/zinc/52/06/32/903520632.db2.gz OLVFOHGSQPMQNV-FCHUYYIVSA-N 1 3 386.584 3.632 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3CCC(C(C)C)CC3)CC2)CC1 ZINC000579000286 904283937 /nfs/dbraw/zinc/28/39/37/904283937.db2.gz BUEGJGJPFCEJGS-UHFFFAOYSA-N 1 3 377.617 3.856 20 0 GHADHO Cc1cc(N2CCC[C@@H](N3CCOCC3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000579252252 904457372 /nfs/dbraw/zinc/45/73/72/904457372.db2.gz YONGFKAVFLJNKG-MRXNPFEDSA-N 1 3 391.462 3.836 20 0 GHADHO Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC001171519695 904795737 /nfs/dbraw/zinc/79/57/37/904795737.db2.gz HQAQMQOGMBLTIO-SFHVURJKSA-N 1 3 389.465 3.858 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631645 904853123 /nfs/dbraw/zinc/85/31/23/904853123.db2.gz LIMOJYDFJDKAAJ-WMZOPIPTSA-N 1 3 379.589 3.969 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631645 904853137 /nfs/dbraw/zinc/85/31/37/904853137.db2.gz LIMOJYDFJDKAAJ-WMZOPIPTSA-N 1 3 379.589 3.969 20 0 GHADHO CN1C(=O)C2(CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)[C@@H]1c1ccccc1 ZINC001171636596 904926144 /nfs/dbraw/zinc/92/61/44/904926144.db2.gz GHCALTOCNNNVBZ-FQEVSTJZSA-N 1 3 383.580 3.933 20 0 GHADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c(CN(C)C)c1 ZINC000646816019 914863450 /nfs/dbraw/zinc/86/34/50/914863450.db2.gz DOVWVQIPOJEYJW-OAQYLSRUSA-N 1 3 379.548 3.950 20 0 GHADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(CN(C)C)c1 ZINC000646816019 914863471 /nfs/dbraw/zinc/86/34/71/914863471.db2.gz DOVWVQIPOJEYJW-OAQYLSRUSA-N 1 3 379.548 3.950 20 0 GHADHO CC1(C)C[C@H](N[C@@H]2CCN(Cc3ccccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171977488 905223670 /nfs/dbraw/zinc/22/36/70/905223670.db2.gz BRDYDNGFWNAAMA-FYYLOGMGSA-N 1 3 378.564 3.689 20 0 GHADHO CC1(C)C[C@H](N[C@@H]2CCN(Cc3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977488 905223687 /nfs/dbraw/zinc/22/36/87/905223687.db2.gz BRDYDNGFWNAAMA-FYYLOGMGSA-N 1 3 378.564 3.689 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC001172073431 905278454 /nfs/dbraw/zinc/27/84/54/905278454.db2.gz QPRMQPLHXBJLEK-WBDAEOGXSA-N 1 3 395.522 3.731 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC001172073431 905278471 /nfs/dbraw/zinc/27/84/71/905278471.db2.gz QPRMQPLHXBJLEK-WBDAEOGXSA-N 1 3 395.522 3.731 20 0 GHADHO O=C(NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1)C1CCC1 ZINC001172075692 905284834 /nfs/dbraw/zinc/28/48/34/905284834.db2.gz SELYANXQKMCKFM-BKFWDETESA-N 1 3 395.591 3.953 20 0 GHADHO O=C(NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CCC1 ZINC001172075692 905284840 /nfs/dbraw/zinc/28/48/40/905284840.db2.gz SELYANXQKMCKFM-BKFWDETESA-N 1 3 395.591 3.953 20 0 GHADHO O[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063350 905327506 /nfs/dbraw/zinc/32/75/06/905327506.db2.gz YONCUKOSRCWGBO-NDBXHCKUSA-N 1 3 394.559 3.739 20 0 GHADHO O[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063350 905327543 /nfs/dbraw/zinc/32/75/43/905327543.db2.gz YONCUKOSRCWGBO-NDBXHCKUSA-N 1 3 394.559 3.739 20 0 GHADHO COCCN(C)[C@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Cl)cc1 ZINC001172115746 905367861 /nfs/dbraw/zinc/36/78/61/905367861.db2.gz ZUYXDLQMLXUAAH-PLACYPQZSA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172115746 905367879 /nfs/dbraw/zinc/36/78/79/905367879.db2.gz ZUYXDLQMLXUAAH-PLACYPQZSA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115746 905367893 /nfs/dbraw/zinc/36/78/93/905367893.db2.gz ZUYXDLQMLXUAAH-PLACYPQZSA-N 1 3 379.976 3.564 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@H]3COCC3CC3)CC1)C2 ZINC001172118920 905374975 /nfs/dbraw/zinc/37/49/75/905374975.db2.gz ZEMNTFSPSCXQBF-KJJMTIBFSA-N 1 3 376.585 3.547 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@H](C)C1 ZINC000190006927 905479352 /nfs/dbraw/zinc/47/93/52/905479352.db2.gz NKQIHRULUSSMOK-VGSWGCGISA-N 1 3 398.547 3.508 20 0 GHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001172960923 906070582 /nfs/dbraw/zinc/07/05/82/906070582.db2.gz ZKEHNRNTEDHXNJ-SFHVURJKSA-N 1 3 390.572 3.529 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC4(CCOCC4)CC3)cc2)CC1 ZINC001173042147 906112639 /nfs/dbraw/zinc/11/26/39/906112639.db2.gz VRSDLAOBOFFIEW-UHFFFAOYSA-N 1 3 385.596 3.653 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001173734257 906676282 /nfs/dbraw/zinc/67/62/82/906676282.db2.gz HYQRYUDNYRCOFV-WDJPJFJCSA-N 1 3 392.543 3.858 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001173734257 906676292 /nfs/dbraw/zinc/67/62/92/906676292.db2.gz HYQRYUDNYRCOFV-WDJPJFJCSA-N 1 3 392.543 3.858 20 0 GHADHO C[C@H](NCc1cn(C)nc1-c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000180422599 906765622 /nfs/dbraw/zinc/76/56/22/906765622.db2.gz KMNSGWXEPQQYLA-SFHVURJKSA-N 1 3 378.520 3.878 20 0 GHADHO [NH3+]CCCOCCNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000629659958 906936926 /nfs/dbraw/zinc/93/69/26/906936926.db2.gz KTKDQNOXXFWRNK-UHFFFAOYSA-N 1 3 396.318 3.701 20 0 GHADHO CC[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648148 907787816 /nfs/dbraw/zinc/78/78/16/907787816.db2.gz VZQWLNIWBQICJT-TZIWHRDSSA-N 1 3 384.520 3.511 20 0 GHADHO CC[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648148 907787822 /nfs/dbraw/zinc/78/78/22/907787822.db2.gz VZQWLNIWBQICJT-TZIWHRDSSA-N 1 3 384.520 3.511 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC001177294092 908499049 /nfs/dbraw/zinc/49/90/49/908499049.db2.gz DPQREMJJZZTNLK-NRFANRHFSA-N 1 3 395.591 3.944 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135380 908971326 /nfs/dbraw/zinc/97/13/26/908971326.db2.gz BHHAMJFUFNEHQU-FPOVZHCZSA-N 1 3 377.532 3.986 20 0 GHADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135380 908971337 /nfs/dbraw/zinc/97/13/37/908971337.db2.gz BHHAMJFUFNEHQU-FPOVZHCZSA-N 1 3 377.532 3.986 20 0 GHADHO CCN(CC)C(=O)c1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000268766244 910005690 /nfs/dbraw/zinc/00/56/90/910005690.db2.gz QDINWQJOLHMFTF-LJQANCHMSA-N 1 3 397.563 3.960 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000268874038 910055006 /nfs/dbraw/zinc/05/50/06/910055006.db2.gz DLXGWMAMGDXIBM-INIZCTEOSA-N 1 3 377.960 3.684 20 0 GHADHO Cc1c([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000268990041 910095617 /nfs/dbraw/zinc/09/56/17/910095617.db2.gz MFZRDPPMZOJMRO-ZDUSSCGKSA-N 1 3 397.350 3.595 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)CC23CCC[NH+]2CCC3)cc1 ZINC001181108355 910539673 /nfs/dbraw/zinc/53/96/73/910539673.db2.gz APAQAWRNPFMMCD-OAQYLSRUSA-N 1 3 399.579 3.527 20 0 GHADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000641857917 911551560 /nfs/dbraw/zinc/55/15/60/911551560.db2.gz LGEGJHIGRMUORU-HNNXBMFYSA-N 1 3 375.340 3.538 20 0 GHADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000641857917 911551573 /nfs/dbraw/zinc/55/15/73/911551573.db2.gz LGEGJHIGRMUORU-HNNXBMFYSA-N 1 3 375.340 3.538 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182855166 912079942 /nfs/dbraw/zinc/07/99/42/912079942.db2.gz NCNKHAWOSAHOJM-GMAHTHKFSA-N 1 3 381.568 3.538 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182855166 912079955 /nfs/dbraw/zinc/07/99/55/912079955.db2.gz NCNKHAWOSAHOJM-GMAHTHKFSA-N 1 3 381.568 3.538 20 0 GHADHO CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000646947390 914944717 /nfs/dbraw/zinc/94/47/17/914944717.db2.gz YTADPAODSXGCQC-SGNDLWITSA-N 1 3 391.559 3.503 20 0 GHADHO CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000646947390 914944728 /nfs/dbraw/zinc/94/47/28/914944728.db2.gz YTADPAODSXGCQC-SGNDLWITSA-N 1 3 391.559 3.503 20 0 GHADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000647343895 915165264 /nfs/dbraw/zinc/16/52/64/915165264.db2.gz FKRMURFTTVDPKH-FCEUIQTBSA-N 1 3 379.548 3.956 20 0 GHADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000647343895 915165270 /nfs/dbraw/zinc/16/52/70/915165270.db2.gz FKRMURFTTVDPKH-FCEUIQTBSA-N 1 3 379.548 3.956 20 0 GHADHO CO[C@H]1CCCN(Cc2cc(C[N@@H+]3CCC[C@H](OC)CC3)ccc2F)CC1 ZINC000649421975 916149317 /nfs/dbraw/zinc/14/93/17/916149317.db2.gz YNXVTFVXQGUAGM-SFTDATJTSA-N 1 3 378.532 3.828 20 0 GHADHO CO[C@H]1CCCN(Cc2cc(C[N@H+]3CCC[C@H](OC)CC3)ccc2F)CC1 ZINC000649421975 916149326 /nfs/dbraw/zinc/14/93/26/916149326.db2.gz YNXVTFVXQGUAGM-SFTDATJTSA-N 1 3 378.532 3.828 20 0 GHADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)cc21 ZINC000649753499 916380183 /nfs/dbraw/zinc/38/01/83/916380183.db2.gz MGAVBLLUMOWSEQ-SJORKVTESA-N 1 3 397.441 3.889 20 0 GHADHO Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(OCC[NH+](C)C)c1 ZINC000649754042 916380776 /nfs/dbraw/zinc/38/07/76/916380776.db2.gz ASPLTGPESHZGBZ-LSDHHAIUSA-N 1 3 388.430 3.622 20 0 GHADHO COC(=O)Cc1ccccc1C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000796444318 917338515 /nfs/dbraw/zinc/33/85/15/917338515.db2.gz MJJYMVIFPIXDRU-DEOSSOPVSA-N 1 3 378.516 3.500 20 0 GHADHO COC(=O)Cc1ccccc1C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000796444318 917338529 /nfs/dbraw/zinc/33/85/29/917338529.db2.gz MJJYMVIFPIXDRU-DEOSSOPVSA-N 1 3 378.516 3.500 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1CN1CCCCC1 ZINC000775392974 917378385 /nfs/dbraw/zinc/37/83/85/917378385.db2.gz JBATYVVILKZXFC-XXBNENTESA-N 1 3 382.548 3.935 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445335 917378931 /nfs/dbraw/zinc/37/89/31/917378931.db2.gz TVZJHLHNKDTNSO-URXFXBBRSA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445335 917378944 /nfs/dbraw/zinc/37/89/44/917378944.db2.gz TVZJHLHNKDTNSO-URXFXBBRSA-N 1 3 399.579 3.841 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1CN1CCCCC1 ZINC000775394347 917390483 /nfs/dbraw/zinc/39/04/83/917390483.db2.gz LINKYOTXAWBOED-GHTZIAJQSA-N 1 3 376.541 3.527 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CCCc2nc(Cl)ccc21 ZINC000296346938 918165035 /nfs/dbraw/zinc/16/50/35/918165035.db2.gz HGAFQYCKNJPRRR-QUCCMNQESA-N 1 3 385.939 3.859 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCCc2nc(Cl)ccc21 ZINC000296346938 918165043 /nfs/dbraw/zinc/16/50/43/918165043.db2.gz HGAFQYCKNJPRRR-QUCCMNQESA-N 1 3 385.939 3.859 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775493448 918345442 /nfs/dbraw/zinc/34/54/42/918345442.db2.gz SOIKXHOTDNTENW-NQIIRXRSSA-N 1 3 379.504 3.643 20 0 GHADHO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C2)CC1 ZINC000677386896 924347104 /nfs/dbraw/zinc/34/71/04/924347104.db2.gz KLTPQBAZCMVMFW-PKTZIBPZSA-N 1 3 398.595 3.587 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806746 924505461 /nfs/dbraw/zinc/50/54/61/924505461.db2.gz MGGTVGGPTVHFJK-PUHATCMVSA-N 1 3 387.612 3.766 20 0 GHADHO Cc1ccc(-c2nc(CN(C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000678722301 924896187 /nfs/dbraw/zinc/89/61/87/924896187.db2.gz ZYLOPONJPJJGQO-NRFANRHFSA-N 1 3 384.593 3.719 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410335932 925541455 /nfs/dbraw/zinc/54/14/55/925541455.db2.gz BBYAFVLUVYNPIX-FQEVSTJZSA-N 1 3 388.600 3.790 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410335932 925541461 /nfs/dbraw/zinc/54/14/61/925541461.db2.gz BBYAFVLUVYNPIX-FQEVSTJZSA-N 1 3 388.600 3.790 20 0 GHADHO O=C1CC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]2N1C1CC1 ZINC000411402331 926363137 /nfs/dbraw/zinc/36/31/37/926363137.db2.gz ZZCVBZZUURVZLB-GGAORHGYSA-N 1 3 381.564 3.648 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](Cc2ccccc2Cl)c2ccccc2)CC1 ZINC000411459308 926422088 /nfs/dbraw/zinc/42/20/88/926422088.db2.gz RPMBKQBSZRXGFQ-QFIPXVFZSA-N 1 3 399.966 3.814 20 0 GHADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(CN2CCCCC2)c1 ZINC000412224704 927226091 /nfs/dbraw/zinc/22/60/91/927226091.db2.gz FXVQQFXJGHWHER-UHFFFAOYSA-N 1 3 392.547 3.714 20 0 GHADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(CN2CCCCC2)c1 ZINC000412298539 927308944 /nfs/dbraw/zinc/30/89/44/927308944.db2.gz GAHGOMQQXMFPMU-QHCPKHFHSA-N 1 3 391.559 3.924 20 0 GHADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CN2CCCCC2)c1 ZINC000412298539 927308958 /nfs/dbraw/zinc/30/89/58/927308958.db2.gz GAHGOMQQXMFPMU-QHCPKHFHSA-N 1 3 391.559 3.924 20 0 GHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000467338130 928973650 /nfs/dbraw/zinc/97/36/50/928973650.db2.gz IFBVYBSSFZHQCN-RPWUZVMVSA-N 1 3 392.591 3.953 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469440745 929889837 /nfs/dbraw/zinc/88/98/37/929889837.db2.gz MNKJLJQSFOHVLJ-YADHBBJMSA-N 1 3 388.600 3.516 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469440745 929889842 /nfs/dbraw/zinc/88/98/42/929889842.db2.gz MNKJLJQSFOHVLJ-YADHBBJMSA-N 1 3 388.600 3.516 20 0 GHADHO CN1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000758735502 930153100 /nfs/dbraw/zinc/15/31/00/930153100.db2.gz AUVUXTIXUAYASK-XZOQPEGZSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000470378391 930571998 /nfs/dbraw/zinc/57/19/98/930571998.db2.gz ZUXFBQROCBPQQJ-HDICACEKSA-N 1 3 377.532 3.698 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000470378391 930572006 /nfs/dbraw/zinc/57/20/06/930572006.db2.gz ZUXFBQROCBPQQJ-HDICACEKSA-N 1 3 377.532 3.698 20 0 GHADHO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1OCCO ZINC000547505565 931079497 /nfs/dbraw/zinc/07/94/97/931079497.db2.gz ZLHTXPQRBZNKRT-IPJJNNNSSA-N 1 3 398.547 3.628 20 0 GHADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312243 932591234 /nfs/dbraw/zinc/59/12/34/932591234.db2.gz RGTUGTVHSMOBGZ-DHIUTWEWSA-N 1 3 397.588 3.762 20 0 GHADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312243 932591238 /nfs/dbraw/zinc/59/12/38/932591238.db2.gz RGTUGTVHSMOBGZ-DHIUTWEWSA-N 1 3 397.588 3.762 20 0 GHADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC001116288640 933459089 /nfs/dbraw/zinc/45/90/89/933459089.db2.gz LWDHOBQJWLDVAE-MSOLQXFVSA-N 1 3 378.582 3.785 20 0 GHADHO Cc1cc(Cl)cc(C)c1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000561397641 934120887 /nfs/dbraw/zinc/12/08/87/934120887.db2.gz HDUFJNCXCKQDNV-UHFFFAOYSA-N 1 3 391.987 3.771 20 0 GHADHO C[C@@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001625797061 1014176627 /nfs/dbraw/zinc/17/66/27/1014176627.db2.gz VZITULILXDUZDC-VSKRKVRLSA-N 1 3 399.623 3.814 20 0 GHADHO CCCCN(CC)[C@H](C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)c1ccccc1 ZINC001220788948 1032122916 /nfs/dbraw/zinc/12/29/16/1032122916.db2.gz HMHAYEQNCIKESA-VABKMULXSA-N 1 3 394.563 3.712 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001221010975 1032235644 /nfs/dbraw/zinc/23/56/44/1032235644.db2.gz VSHUKALQXBROHS-GOTSBHOMSA-N 1 3 391.559 3.508 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001221010975 1032235659 /nfs/dbraw/zinc/23/56/59/1032235659.db2.gz VSHUKALQXBROHS-GOTSBHOMSA-N 1 3 391.559 3.508 20 0 GHADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC001221296933 1032365939 /nfs/dbraw/zinc/36/59/39/1032365939.db2.gz DBTUFCVRDPIQOC-YMPZKCBVSA-N 1 3 398.595 3.728 20 0 GHADHO CC(C)(CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001221495476 1032437334 /nfs/dbraw/zinc/43/73/34/1032437334.db2.gz KCLDJUAWAJXGKX-JOCHJYFZSA-N 1 3 398.595 3.530 20 0 GHADHO CC(C)(CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001221495476 1032437337 /nfs/dbraw/zinc/43/73/37/1032437337.db2.gz KCLDJUAWAJXGKX-JOCHJYFZSA-N 1 3 398.595 3.530 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001221581309 1032469276 /nfs/dbraw/zinc/46/92/76/1032469276.db2.gz VNURGPTUSCJKHO-FCHUYYIVSA-N 1 3 386.584 3.696 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001221581309 1032469282 /nfs/dbraw/zinc/46/92/82/1032469282.db2.gz VNURGPTUSCJKHO-FCHUYYIVSA-N 1 3 386.584 3.696 20 0 GHADHO COc1ccc(C[C@H]([NH2+]C[C@H]2CNCCC2(F)F)c2ccc(OC)cc2)cc1 ZINC000925786143 1017148473 /nfs/dbraw/zinc/14/84/73/1017148473.db2.gz VZTPCHRKTOEJPC-NQIIRXRSSA-N 1 3 390.474 3.822 20 0 GHADHO C[NH+](C)Cc1cccc(CNCc2cccc(I)c2)c1 ZINC000560073698 1017540422 /nfs/dbraw/zinc/54/04/22/1017540422.db2.gz ZTUGVPOYQLZRBH-UHFFFAOYSA-N 1 3 380.273 3.643 20 0 GHADHO CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001228043621 1032750486 /nfs/dbraw/zinc/75/04/86/1032750486.db2.gz PWHWYONXBXANJD-JOCHJYFZSA-N 1 3 398.595 3.874 20 0 GHADHO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000562772766 1018625298 /nfs/dbraw/zinc/62/52/98/1018625298.db2.gz ZYHIMTLODPDBPB-LJQANCHMSA-N 1 3 378.520 3.714 20 0 GHADHO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000562772766 1018625303 /nfs/dbraw/zinc/62/53/03/1018625303.db2.gz ZYHIMTLODPDBPB-LJQANCHMSA-N 1 3 378.520 3.714 20 0 GHADHO COc1ccc2c(CN3CCC4(C[NH+](C)C4)CC3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140368778 1021509214 /nfs/dbraw/zinc/50/92/14/1021509214.db2.gz DNVORGZJRYLFRY-UHFFFAOYSA-N 1 3 399.535 3.961 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001140383585 1021536684 /nfs/dbraw/zinc/53/66/84/1021536684.db2.gz OPWIYEAMAUXFOP-QFIPXVFZSA-N 1 3 390.531 3.818 20 0 GHADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](C)c2cccc(Br)c2)C1 ZINC001204593397 1032988929 /nfs/dbraw/zinc/98/89/29/1032988929.db2.gz QWZJWGZHXHSNOV-QFBILLFUSA-N 1 3 383.374 3.985 20 0 GHADHO Cc1c(C[C@@H](CN)C[NH2+]CC[C@H](C)c2cccc(C(F)(F)F)c2)cnn1C ZINC000903922572 1021653588 /nfs/dbraw/zinc/65/35/88/1021653588.db2.gz ZTKOAJZUTZGFKH-HOCLYGCPSA-N 1 3 382.474 3.648 20 0 GHADHO OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001204630806 1033001301 /nfs/dbraw/zinc/00/13/01/1033001301.db2.gz XOFYCQZSARBDMI-UHFFFAOYSA-N 1 3 396.478 3.896 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Nc1ccccc1 ZINC000679722139 1022043434 /nfs/dbraw/zinc/04/34/34/1022043434.db2.gz WCOGHRQELRLZSV-ACIOBRDBSA-N 1 3 377.532 3.906 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H](C)[C@H](C)c3ccccc3)cc2)CC1 ZINC000754184410 1022526168 /nfs/dbraw/zinc/52/61/68/1022526168.db2.gz PZWYZDNZGMSWJO-VQTJNVASSA-N 1 3 394.563 3.549 20 0 GHADHO Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000754670638 1022823402 /nfs/dbraw/zinc/82/34/02/1022823402.db2.gz XEPPVECMTSDMKI-QZTJIDSGSA-N 1 3 385.577 3.876 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141000258 1023137310 /nfs/dbraw/zinc/13/73/10/1023137310.db2.gz YHKAQFVEQLKOBU-AUSIDOKSSA-N 1 3 397.588 3.990 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141000258 1023137322 /nfs/dbraw/zinc/13/73/22/1023137322.db2.gz YHKAQFVEQLKOBU-AUSIDOKSSA-N 1 3 397.588 3.990 20 0 GHADHO CCOC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3c[nH]c4c3cccc4CC)CC2)C1 ZINC001138361698 1024726021 /nfs/dbraw/zinc/72/60/21/1024726021.db2.gz XAIQQJXYEPKERY-LJQANCHMSA-N 1 3 397.563 3.970 20 0 GHADHO FC(F)(F)c1ncc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001141464583 1025129508 /nfs/dbraw/zinc/12/95/08/1025129508.db2.gz BQURMABDGMHLIC-UHFFFAOYSA-N 1 3 376.426 3.593 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cccnc1F)CC2 ZINC001138786963 1025361421 /nfs/dbraw/zinc/36/14/21/1025361421.db2.gz RIPBZBPVNHJTCS-KRWDZBQOSA-N 1 3 375.513 3.538 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cccnc1F)CC2 ZINC001138786963 1025361434 /nfs/dbraw/zinc/36/14/34/1025361434.db2.gz RIPBZBPVNHJTCS-KRWDZBQOSA-N 1 3 375.513 3.538 20 0 GHADHO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN2CCC(C(C)(C)C)CC2)c1C ZINC001141564570 1025563106 /nfs/dbraw/zinc/56/31/06/1025563106.db2.gz DFYDKRVQFOYICN-UHFFFAOYSA-N 1 3 390.616 3.961 20 0 GHADHO CC[NH+](CC)CCNC(=N)Nc1nc(-c2cccc(OC)c2)nc2ccccc21 ZINC001163129309 1026058465 /nfs/dbraw/zinc/05/84/65/1026058465.db2.gz JVSHIFGCNLTOGZ-UHFFFAOYSA-N 1 3 392.507 3.583 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCOc2ccc3c(c2)CCC3)CC1 ZINC001461088915 1069382283 /nfs/dbraw/zinc/38/22/83/1069382283.db2.gz UYHYBFWPGQYJIY-UHFFFAOYSA-N 1 3 393.575 3.876 20 0 GHADHO C[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165201362 1026661894 /nfs/dbraw/zinc/66/18/94/1026661894.db2.gz HBEZRKUFGZARHE-PMACEKPBSA-N 1 3 394.563 3.654 20 0 GHADHO C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165201363 1026662382 /nfs/dbraw/zinc/66/23/82/1026662382.db2.gz HBEZRKUFGZARHE-UXHICEINSA-N 1 3 394.563 3.654 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1coc2ccc3ccccc3c12 ZINC001166247983 1026952851 /nfs/dbraw/zinc/95/28/51/1026952851.db2.gz MHFVFMWNIFAXRC-KRWDZBQOSA-N 1 3 381.520 3.517 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1coc2ccc3ccccc3c12 ZINC001166247983 1026952854 /nfs/dbraw/zinc/95/28/54/1026952854.db2.gz MHFVFMWNIFAXRC-KRWDZBQOSA-N 1 3 381.520 3.517 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC001461208128 1069442757 /nfs/dbraw/zinc/44/27/57/1069442757.db2.gz KUJMFZQCLHUTCO-JOCHJYFZSA-N 1 3 394.607 3.829 20 0 GHADHO CC1(c2ccc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)cc2)OCCO1 ZINC001203352156 1027287632 /nfs/dbraw/zinc/28/76/32/1027287632.db2.gz RZIBXXUFCJSRQB-UHFFFAOYSA-N 1 3 396.531 3.671 20 0 GHADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC001142014550 1027884758 /nfs/dbraw/zinc/88/47/58/1027884758.db2.gz MECRWTHWCULCPJ-UHFFFAOYSA-N 1 3 394.563 3.839 20 0 GHADHO CN(C)CC1(C[NH2+]Cc2ccc(I)s2)CCCC1 ZINC001461422699 1069542793 /nfs/dbraw/zinc/54/27/93/1069542793.db2.gz DTAWEDIQBSGART-UHFFFAOYSA-N 1 3 378.323 3.564 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001142679338 1029251671 /nfs/dbraw/zinc/25/16/71/1029251671.db2.gz BJNXYELUHKBYGX-SFHVURJKSA-N 1 3 396.560 3.880 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001142679337 1029252527 /nfs/dbraw/zinc/25/25/27/1029252527.db2.gz BJNXYELUHKBYGX-GOSISDBHSA-N 1 3 396.560 3.880 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000842669112 1029472758 /nfs/dbraw/zinc/47/27/58/1029472758.db2.gz AWJQRLHOOXXYAL-QFIPXVFZSA-N 1 3 387.531 3.863 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000842669112 1029472776 /nfs/dbraw/zinc/47/27/76/1029472776.db2.gz AWJQRLHOOXXYAL-QFIPXVFZSA-N 1 3 387.531 3.863 20 0 GHADHO COc1cc(OC)cc([C@@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684162 1029489873 /nfs/dbraw/zinc/48/98/73/1029489873.db2.gz XZCRFXIIQYLUMG-REWPJTCUSA-N 1 3 396.531 3.524 20 0 GHADHO COc1cc(OC)cc([C@@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684162 1029489887 /nfs/dbraw/zinc/48/98/87/1029489887.db2.gz XZCRFXIIQYLUMG-REWPJTCUSA-N 1 3 396.531 3.524 20 0 GHADHO COC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142908849 1029671955 /nfs/dbraw/zinc/67/19/55/1029671955.db2.gz JRIYXVFLZNOZOG-DEOSSOPVSA-N 1 3 378.516 3.500 20 0 GHADHO COC(=O)Cc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142908849 1029671964 /nfs/dbraw/zinc/67/19/64/1029671964.db2.gz JRIYXVFLZNOZOG-DEOSSOPVSA-N 1 3 378.516 3.500 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC001221946499 1029902560 /nfs/dbraw/zinc/90/25/60/1029902560.db2.gz WLSBTWXEGVLFQY-LPWQTFTOSA-N 1 3 394.991 3.608 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC001221946499 1029902571 /nfs/dbraw/zinc/90/25/71/1029902571.db2.gz WLSBTWXEGVLFQY-LPWQTFTOSA-N 1 3 394.991 3.608 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccc(C)nc4N)CC3)CC2)c1 ZINC001143199724 1029904755 /nfs/dbraw/zinc/90/47/55/1029904755.db2.gz JOKXZWITOUHWNK-UHFFFAOYSA-N 1 3 394.563 3.859 20 0 GHADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001221967396 1029910797 /nfs/dbraw/zinc/91/07/97/1029910797.db2.gz DBCLYYRUOXMGLD-NRFANRHFSA-N 1 3 388.600 3.805 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364016 1029940447 /nfs/dbraw/zinc/94/04/47/1029940447.db2.gz KQHFXQUIMRGKPS-KBPBESRZSA-N 1 3 384.351 3.635 20 0 GHADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000843363871 1029942302 /nfs/dbraw/zinc/94/23/02/1029942302.db2.gz GSHSPCFDUPKBPP-UHFFFAOYSA-N 1 3 387.543 3.563 20 0 GHADHO Clc1cc2[nH]cc(CN3CCC4(CC3)C[NH2+]CCO4)c2c(Br)c1 ZINC001222211034 1030008147 /nfs/dbraw/zinc/00/81/47/1030008147.db2.gz DXCZYAZHNGDETJ-UHFFFAOYSA-N 1 3 398.732 3.538 20 0 GHADHO CC1(C)C[C@@H](C[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CCO1 ZINC001222576212 1030207743 /nfs/dbraw/zinc/20/77/43/1030207743.db2.gz RWYPQIQYQHSSBC-VXKWHMMOSA-N 1 3 386.580 3.995 20 0 GHADHO CC1(C)C[C@@H](C[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CCO1 ZINC001222576212 1030207757 /nfs/dbraw/zinc/20/77/57/1030207757.db2.gz RWYPQIQYQHSSBC-VXKWHMMOSA-N 1 3 386.580 3.995 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)CC(C)C ZINC001223090519 1030434393 /nfs/dbraw/zinc/43/43/93/1030434393.db2.gz WFIRKKAHGDEYPZ-FCEUIQTBSA-N 1 3 388.600 3.705 20 0 GHADHO Cc1cccc2c1C1(C[C@H]2CC(=O)Nc2cnccc2N(C)C)CC[NH2+]CC1 ZINC001218563107 1030988158 /nfs/dbraw/zinc/98/81/58/1030988158.db2.gz KVJDMEINXQJVBA-QGZVFWFLSA-N 1 3 378.520 3.593 20 0 GHADHO O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001219818933 1031634405 /nfs/dbraw/zinc/63/44/05/1031634405.db2.gz UTPHBMVJBOQGTJ-NNWRFLSQSA-N 1 3 397.950 3.771 20 0 GHADHO CCN1CCCC[C@@H]1c1ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)nc1 ZINC001157173475 1033447843 /nfs/dbraw/zinc/44/78/43/1033447843.db2.gz ZMHOMKUTAIGSFU-RBUKOAKNSA-N 1 3 390.572 3.880 20 0 GHADHO O=C(c1ccc(CC2CC[NH2+]CC2)cc1)N1CCN(CC2CCCCC2)CC1 ZINC001157592852 1033679790 /nfs/dbraw/zinc/67/97/90/1033679790.db2.gz QUOMWZUSBBOKDY-UHFFFAOYSA-N 1 3 383.580 3.567 20 0 GHADHO O=C(CNCCCc1c(Cl)cccc1Cl)NCC[NH+]1CCCCCC1 ZINC001206048672 1033700197 /nfs/dbraw/zinc/70/01/97/1033700197.db2.gz VVGOPJSWRLYVHJ-UHFFFAOYSA-N 1 3 386.367 3.508 20 0 GHADHO N[C@H]1CC[N@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@H]1F ZINC001206200888 1033761415 /nfs/dbraw/zinc/76/14/15/1033761415.db2.gz UCJAMYKYKLGNGA-SJORKVTESA-N 1 3 383.389 3.908 20 0 GHADHO N[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@H]1F ZINC001206200888 1033761432 /nfs/dbraw/zinc/76/14/32/1033761432.db2.gz UCJAMYKYKLGNGA-SJORKVTESA-N 1 3 383.389 3.908 20 0 GHADHO COc1ccc(CN(c2ccc(CN(C)C3CC3)cn2)C2CC[NH2+]CC2)cc1F ZINC001158010525 1033867185 /nfs/dbraw/zinc/86/71/85/1033867185.db2.gz JQGWNDMTBIGCIB-UHFFFAOYSA-N 1 3 398.526 3.582 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249201 1034213160 /nfs/dbraw/zinc/21/31/60/1034213160.db2.gz VIKWDTFJLCOEMM-UFYCRDLUSA-N 1 3 379.589 3.972 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249201 1034213173 /nfs/dbraw/zinc/21/31/73/1034213173.db2.gz VIKWDTFJLCOEMM-UFYCRDLUSA-N 1 3 379.589 3.972 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC001230859409 1034255143 /nfs/dbraw/zinc/25/51/43/1034255143.db2.gz YGJVJOPOQOPQFM-IBGZPJMESA-N 1 3 398.595 3.689 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC001230859409 1034255157 /nfs/dbraw/zinc/25/51/57/1034255157.db2.gz YGJVJOPOQOPQFM-IBGZPJMESA-N 1 3 398.595 3.689 20 0 GHADHO C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC001159391321 1034576422 /nfs/dbraw/zinc/57/64/22/1034576422.db2.gz QVOHYKKSLRJXGR-SESVDKBCSA-N 1 3 393.579 3.804 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)nc4c3CCC4)c3ccccc23)CC1 ZINC001159459732 1034604129 /nfs/dbraw/zinc/60/41/29/1034604129.db2.gz CGNCNVGTZVRMRR-UHFFFAOYSA-N 1 3 395.938 3.528 20 0 GHADHO CCCN(CCC[NH+](C)C)C[C@@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001207827927 1034604981 /nfs/dbraw/zinc/60/49/81/1034604981.db2.gz PTDIAIROJDDXAF-IAGOWNOFSA-N 1 3 391.547 3.788 20 0 GHADHO Cc1nc(Cl)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1C ZINC001159459942 1034606058 /nfs/dbraw/zinc/60/60/58/1034606058.db2.gz ICOSHOHUYKRUKI-UHFFFAOYSA-N 1 3 383.927 3.656 20 0 GHADHO Cc1nc2ccccc2c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460383 1034606206 /nfs/dbraw/zinc/60/62/06/1034606206.db2.gz UDENZMCOLPJNLC-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4cccc(F)c43)c3ccccc23)CC1 ZINC001159460138 1034606386 /nfs/dbraw/zinc/60/63/86/1034606386.db2.gz AYKUGXIDOUBGEO-UHFFFAOYSA-N 1 3 389.478 3.678 20 0 GHADHO Cc1cc2ncnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)c2s1 ZINC001159468512 1034609532 /nfs/dbraw/zinc/60/95/32/1034609532.db2.gz YKDHUGKVRIQBRU-UHFFFAOYSA-N 1 3 391.544 3.909 20 0 GHADHO CC(C)Cc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncn1 ZINC001159468521 1034609834 /nfs/dbraw/zinc/60/98/34/1034609834.db2.gz YOOZDJZZRGYCAM-UHFFFAOYSA-N 1 3 377.536 3.585 20 0 GHADHO CN(C)CC1(C[NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)CCCC1 ZINC001208183643 1034778771 /nfs/dbraw/zinc/77/87/71/1034778771.db2.gz DWCRJAUWRRSOJA-NRFANRHFSA-N 1 3 385.552 3.766 20 0 GHADHO C[NH+](C)CC1(CN2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CCCC1 ZINC001208185578 1034782136 /nfs/dbraw/zinc/78/21/36/1034782136.db2.gz BDKKAPHAHLUQRF-JTHBVZDNSA-N 1 3 378.601 3.939 20 0 GHADHO CN1C(=O)[C@H](c2ccccc2)CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208186482 1034782311 /nfs/dbraw/zinc/78/23/11/1034782311.db2.gz LIKKQQNGTBSTGH-NRFANRHFSA-N 1 3 383.580 3.589 20 0 GHADHO CC(C)Oc1ncccc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001231758051 1034889588 /nfs/dbraw/zinc/88/95/88/1034889588.db2.gz JSWSMPPDVKITDM-FQEVSTJZSA-N 1 3 399.535 3.717 20 0 GHADHO CC(C)Oc1ncccc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001231758051 1034889594 /nfs/dbraw/zinc/88/95/94/1034889594.db2.gz JSWSMPPDVKITDM-FQEVSTJZSA-N 1 3 399.535 3.717 20 0 GHADHO CN(Cc1cccc(F)c1)C1CC[NH+](C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208645228 1034965977 /nfs/dbraw/zinc/96/59/77/1034965977.db2.gz XVILOTNBDQRFLH-NRFANRHFSA-N 1 3 376.516 3.798 20 0 GHADHO c1cc(CN2CCC3(C2)CC[NH+](CCOCCOCc2ccccc2)CC3)co1 ZINC001208746247 1034995842 /nfs/dbraw/zinc/99/58/42/1034995842.db2.gz MJNWKMJVXRYIAN-UHFFFAOYSA-N 1 3 398.547 3.801 20 0 GHADHO CN(Cc1ccc(-n2cc(C[NH3+])c3ccc(Br)cc32)nc1)C1CC1 ZINC001160758325 1035060016 /nfs/dbraw/zinc/06/00/16/1035060016.db2.gz MKVRVJPKFVHSAM-UHFFFAOYSA-N 1 3 385.309 3.841 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc3ncccc3[nH]1)CC2 ZINC001232063530 1035073537 /nfs/dbraw/zinc/07/35/37/1035073537.db2.gz TWTDNUSYHGSDNR-UHFFFAOYSA-N 1 3 375.520 3.835 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc3ncccc3[nH]1)CC2 ZINC001232063530 1035073547 /nfs/dbraw/zinc/07/35/47/1035073547.db2.gz TWTDNUSYHGSDNR-UHFFFAOYSA-N 1 3 375.520 3.835 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001232094815 1035092420 /nfs/dbraw/zinc/09/24/20/1035092420.db2.gz JYQUYVMOUAAMOW-QFIPXVFZSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001232094815 1035092426 /nfs/dbraw/zinc/09/24/26/1035092426.db2.gz JYQUYVMOUAAMOW-QFIPXVFZSA-N 1 3 390.531 3.818 20 0 GHADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208930774 1035094345 /nfs/dbraw/zinc/09/43/45/1035094345.db2.gz DPSZMZSRBHELOM-HOJAQTOUSA-N 1 3 384.486 3.924 20 0 GHADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208930774 1035094358 /nfs/dbraw/zinc/09/43/58/1035094358.db2.gz DPSZMZSRBHELOM-HOJAQTOUSA-N 1 3 384.486 3.924 20 0 GHADHO COc1ccccc1[C@H](O)CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208952136 1035123400 /nfs/dbraw/zinc/12/34/00/1035123400.db2.gz HKVQAVYESYYGEL-FYYLOGMGSA-N 1 3 382.548 3.961 20 0 GHADHO COc1ccccc1[C@H](O)CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208952136 1035123402 /nfs/dbraw/zinc/12/34/02/1035123402.db2.gz HKVQAVYESYYGEL-FYYLOGMGSA-N 1 3 382.548 3.961 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c1 ZINC001232146128 1035124146 /nfs/dbraw/zinc/12/41/46/1035124146.db2.gz JAPMCKAHMSOWDE-MOPGFXCFSA-N 1 3 391.531 3.576 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c1 ZINC001232146128 1035124154 /nfs/dbraw/zinc/12/41/54/1035124154.db2.gz JAPMCKAHMSOWDE-MOPGFXCFSA-N 1 3 391.531 3.576 20 0 GHADHO C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001161046546 1035124965 /nfs/dbraw/zinc/12/49/65/1035124965.db2.gz MTVWOKPKXJPSIK-QUCCMNQESA-N 1 3 379.548 3.823 20 0 GHADHO C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001161046546 1035124969 /nfs/dbraw/zinc/12/49/69/1035124969.db2.gz MTVWOKPKXJPSIK-QUCCMNQESA-N 1 3 379.548 3.823 20 0 GHADHO C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001161046546 1035124971 /nfs/dbraw/zinc/12/49/71/1035124971.db2.gz MTVWOKPKXJPSIK-QUCCMNQESA-N 1 3 379.548 3.823 20 0 GHADHO O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001209451983 1035277966 /nfs/dbraw/zinc/27/79/66/1035277966.db2.gz YUACEJANDMPEBP-NRFANRHFSA-N 1 3 375.582 3.552 20 0 GHADHO O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001209451983 1035277971 /nfs/dbraw/zinc/27/79/71/1035277971.db2.gz YUACEJANDMPEBP-NRFANRHFSA-N 1 3 375.582 3.552 20 0 GHADHO CCOC(=O)[C@H]1CCCN(C2CC[NH+](Cc3c[nH]c4ccc(C)cc34)CC2)C1 ZINC001209490649 1035290610 /nfs/dbraw/zinc/29/06/10/1035290610.db2.gz CPTMEHBZQKIZNF-SFHVURJKSA-N 1 3 383.536 3.716 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cc5c(cn4)OCCC5)CC[C@@H]3C2)cc1 ZINC001209508090 1035296775 /nfs/dbraw/zinc/29/67/75/1035296775.db2.gz ZIRHSWKLNHJHTL-YADHBBJMSA-N 1 3 377.532 3.751 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H]3CN(Cc4cc5c(cn4)OCCC5)CC[C@@H]3C2)cc1 ZINC001209508090 1035296781 /nfs/dbraw/zinc/29/67/81/1035296781.db2.gz ZIRHSWKLNHJHTL-YADHBBJMSA-N 1 3 377.532 3.751 20 0 GHADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1ccc(C(F)(F)F)c(Cl)c1)CC2 ZINC001278332583 1035634233 /nfs/dbraw/zinc/63/42/33/1035634233.db2.gz YETKZZKWJWMMIQ-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO C[NH+](C)CCCNC(=O)c1ccc(-c2ccc(F)c(CN3CCCC3)c2)cc1 ZINC001241783833 1035701151 /nfs/dbraw/zinc/70/11/51/1035701151.db2.gz IHCZLPKCGVFYPG-UHFFFAOYSA-N 1 3 383.511 3.770 20 0 GHADHO O[C@H](C[NH2+][C@H]1CCCNC1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245978774 1037103672 /nfs/dbraw/zinc/10/36/72/1037103672.db2.gz FNFCBZOKVLAYQT-QFBILLFUSA-N 1 3 377.315 3.940 20 0 GHADHO C[C@H](c1ccccc1)[N@H+](C[C@]1(O)CCCNC1)[C@H]1CC[C@H]1OCc1ccccc1 ZINC001246058768 1037173579 /nfs/dbraw/zinc/17/35/79/1037173579.db2.gz GLBXELXYUUEJJI-YFJHUXEUSA-N 1 3 394.559 3.912 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CCCNC1)[C@H]1CC[C@H]1OCc1ccccc1 ZINC001246058768 1037173582 /nfs/dbraw/zinc/17/35/82/1037173582.db2.gz GLBXELXYUUEJJI-YFJHUXEUSA-N 1 3 394.559 3.912 20 0 GHADHO CCOC(=O)CC1(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC001246206182 1037238915 /nfs/dbraw/zinc/23/89/15/1037238915.db2.gz XXINCAHPXZURPQ-YADHBBJMSA-N 1 3 378.516 3.560 20 0 GHADHO Fc1ccc(CN2CCC([NH2+][C@@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246238321 1037250720 /nfs/dbraw/zinc/25/07/20/1037250720.db2.gz KTOYYAPLUIPVPC-RPWUZVMVSA-N 1 3 381.539 3.743 20 0 GHADHO CC[C@@H]1CC(N[C@H]2Cc3ccc(I)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246274228 1037270500 /nfs/dbraw/zinc/27/05/00/1037270500.db2.gz XKPABGNEXZOHOF-ZACQAIPSSA-N 1 3 398.332 3.657 20 0 GHADHO CCCC[C@@H]1C[C@H](NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)CC[NH2+]1 ZINC001246280851 1037273792 /nfs/dbraw/zinc/27/37/92/1037273792.db2.gz LTXFLWGEULLGDE-MKXGPGLRSA-N 1 3 398.588 3.529 20 0 GHADHO CC[C@H]1CC(NC[C@H]2C[C@]2(C(=O)N(CC)CC)c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246288540 1037278614 /nfs/dbraw/zinc/27/86/14/1037278614.db2.gz PPZKLUYYWFUDJF-XBJMDHIQSA-N 1 3 385.596 3.712 20 0 GHADHO Cc1cccc(C2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CCC3(CC2)OCCO3)c1 ZINC001246331524 1037298618 /nfs/dbraw/zinc/29/86/18/1037298618.db2.gz XOUREYPFNYMAGZ-OAQYLSRUSA-N 1 3 384.564 3.814 20 0 GHADHO COC(=O)C(CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)(Cc1ccccc1)Cc1ccccc1 ZINC001246332052 1037299773 /nfs/dbraw/zinc/29/97/73/1037299773.db2.gz YKODGJPNTDVYFG-NUNAXRQHSA-N 1 3 392.543 3.504 20 0 GHADHO Fc1ccc(C2([NH2+][C@H]3CCc4cc(F)c(F)c(F)c4C3)CCNCC2)cc1 ZINC001246337541 1037302138 /nfs/dbraw/zinc/30/21/38/1037302138.db2.gz UBOHRAOMSHRIAB-INIZCTEOSA-N 1 3 378.413 3.969 20 0 GHADHO Fc1ccc(F)c(CN2CCC([NH2+][C@H]3CCN[C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246355386 1037313700 /nfs/dbraw/zinc/31/37/00/1037313700.db2.gz MPUHZVJAORIASP-XZOQPEGZSA-N 1 3 399.529 3.882 20 0 GHADHO COc1ccc(CC2([NH2+][C@@H]3CCc4c(cccc4OC)C3)CCNCC2)cc1 ZINC001246374080 1037331039 /nfs/dbraw/zinc/33/10/39/1037331039.db2.gz FGTHCMJNOSSPAM-HXUWFJFHSA-N 1 3 380.532 3.516 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H](NC2(Cc3ccccc3Cl)CC[NH2+]CC2)C1 ZINC001246396178 1037357007 /nfs/dbraw/zinc/35/70/07/1037357007.db2.gz YLXGSYXUNVQXKR-AEFFLSMTSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246396178 1037357025 /nfs/dbraw/zinc/35/70/25/1037357025.db2.gz YLXGSYXUNVQXKR-AEFFLSMTSA-N 1 3 378.944 3.716 20 0 GHADHO CC1(C)C[C@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CCN1 ZINC001246409308 1037366285 /nfs/dbraw/zinc/36/62/85/1037366285.db2.gz CAEITTPZFCJFHZ-GOSISDBHSA-N 1 3 395.385 3.909 20 0 GHADHO C[NH2+]C[C@H]1CCCN(C2CCC(C(=O)OC)(c3ccc(Cl)cc3)CC2)C1 ZINC001246554433 1037480592 /nfs/dbraw/zinc/48/05/92/1037480592.db2.gz ZSUYQYVWCBJYQX-YLZJTPGZSA-N 1 3 378.944 3.625 20 0 GHADHO Cc1ccc(CN2C[C@@H]3C[NH+]([C@@H]4CCN[C@@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246710867 1037564136 /nfs/dbraw/zinc/56/41/36/1037564136.db2.gz URPJZCGGWJMGFG-ZGFBMJKBSA-N 1 3 375.560 3.852 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CCN(CCc3ccccc3)CC2)CC[NH2+]1 ZINC001246790686 1037631192 /nfs/dbraw/zinc/63/11/92/1037631192.db2.gz LWGWFZOIFFKELN-VWNXMTODSA-N 1 3 381.539 3.788 20 0 GHADHO CN(Cc1c(F)cccc1Oc1ccc(Cl)cc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246862148 1037683488 /nfs/dbraw/zinc/68/34/88/1037683488.db2.gz VMWBQTKGAWAISL-MRXNPFEDSA-N 1 3 389.902 3.797 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)CCN1 ZINC001246868297 1037685711 /nfs/dbraw/zinc/68/57/11/1037685711.db2.gz RTHJIZZGMJDWPK-OYDLWJJNSA-N 1 3 379.523 3.842 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCN3CCc4ccccc4[C@@H]3C2)CCN1 ZINC001246868297 1037685741 /nfs/dbraw/zinc/68/57/41/1037685741.db2.gz RTHJIZZGMJDWPK-OYDLWJJNSA-N 1 3 379.523 3.842 20 0 GHADHO FC(F)(F)[C@@H]1C[C@H]([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946553 1037750706 /nfs/dbraw/zinc/75/07/06/1037750706.db2.gz NTKIKOFTESJFBQ-SJORKVTESA-N 1 3 375.866 3.577 20 0 GHADHO FC(F)(F)[C@@H]1C[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946553 1037750726 /nfs/dbraw/zinc/75/07/26/1037750726.db2.gz NTKIKOFTESJFBQ-SJORKVTESA-N 1 3 375.866 3.577 20 0 GHADHO FC(F)(F)[C@@H]1C[C@H](N(Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246946553 1037750751 /nfs/dbraw/zinc/75/07/51/1037750751.db2.gz NTKIKOFTESJFBQ-SJORKVTESA-N 1 3 375.866 3.577 20 0 GHADHO COC(=O)C1(C)CCC(N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246956040 1037765411 /nfs/dbraw/zinc/76/54/11/1037765411.db2.gz PVHLFZHNQDNDJH-UHFFFAOYSA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)C1(C)CCC([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246956040 1037765435 /nfs/dbraw/zinc/76/54/35/1037765435.db2.gz PVHLFZHNQDNDJH-UHFFFAOYSA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)C1(C)CCC([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246956040 1037765453 /nfs/dbraw/zinc/76/54/53/1037765453.db2.gz PVHLFZHNQDNDJH-UHFFFAOYSA-N 1 3 380.479 3.641 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246960942 1037780288 /nfs/dbraw/zinc/78/02/88/1037780288.db2.gz FFDJSPCYXDIQHN-DYESRHJHSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246960942 1037780305 /nfs/dbraw/zinc/78/03/05/1037780305.db2.gz FFDJSPCYXDIQHN-DYESRHJHSA-N 1 3 376.516 3.810 20 0 GHADHO Fc1cccc(F)c1CN([C@H]1CCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246965801 1037788065 /nfs/dbraw/zinc/78/80/65/1037788065.db2.gz SHHMQLSQRBFGJJ-FQEVSTJZSA-N 1 3 385.502 3.793 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+](C[C@@H]3CCCNC3)C3CC3)CC[C@H]2C1 ZINC001246976995 1037804323 /nfs/dbraw/zinc/80/43/23/1037804323.db2.gz XIWBGTASYWJOEM-LKFPXLSTSA-N 1 3 395.591 3.781 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+](C[C@@H]3CCCNC3)C3CC3)CC[C@H]2C1 ZINC001246976995 1037804330 /nfs/dbraw/zinc/80/43/30/1037804330.db2.gz XIWBGTASYWJOEM-LKFPXLSTSA-N 1 3 395.591 3.781 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[C@H](N3CCCCC3)[C@@H](F)C2)CC[NH2+]1 ZINC001247014463 1037837294 /nfs/dbraw/zinc/83/72/94/1037837294.db2.gz DBBJABWDPIUVOA-QESAQDPVSA-N 1 3 377.523 3.826 20 0 GHADHO CCC[NH+](CCC)[C@@H](C)c1nc(-c2cccc(CN3CCN(C)CC3)c2)no1 ZINC001247418172 1038177575 /nfs/dbraw/zinc/17/75/75/1038177575.db2.gz YEIOQDPDGKIRRJ-SFHVURJKSA-N 1 3 385.556 3.667 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1-n1cccc1)C2 ZINC001232910586 1038708098 /nfs/dbraw/zinc/70/80/98/1038708098.db2.gz CCLHAOYAQTXANF-VWNXMTODSA-N 1 3 379.548 3.658 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1-n1cccc1)C2 ZINC001232910586 1038708101 /nfs/dbraw/zinc/70/81/01/1038708101.db2.gz CCLHAOYAQTXANF-VWNXMTODSA-N 1 3 379.548 3.658 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@@H](O)c1ccc(F)cc1)CC2 ZINC001252843603 1039202921 /nfs/dbraw/zinc/20/29/21/1039202921.db2.gz WJJRXUJQSSZOJU-XZOQPEGZSA-N 1 3 398.522 3.615 20 0 GHADHO Cc1c(CCNC[C@H](O)C[NH2+]C(C)(C)C)c2ccccc2n1-c1ccccc1 ZINC001253406620 1039604286 /nfs/dbraw/zinc/60/42/86/1039604286.db2.gz RYESBQOWTYQIJE-FQEVSTJZSA-N 1 3 379.548 3.820 20 0 GHADHO Cc1ccc(OC[C@H](O)C[NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)cc1 ZINC001253822285 1039827966 /nfs/dbraw/zinc/82/79/66/1039827966.db2.gz HKAYKXPOIPZFND-NFBKMPQASA-N 1 3 398.547 3.704 20 0 GHADHO CC[C@H](C)[C@H]([NH2+][C@@H]1CCCN(C)CC1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001254510978 1040290136 /nfs/dbraw/zinc/29/01/36/1040290136.db2.gz SPLBUDDORFJQCF-JIGPKXGUSA-N 1 3 399.535 3.529 20 0 GHADHO C[N@@H+]1CCC[C@H](N(Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531741 1040303939 /nfs/dbraw/zinc/30/39/39/1040303939.db2.gz KWYXQXVPODXGLB-ZEQRLZLVSA-N 1 3 391.559 3.774 20 0 GHADHO C[N@H+]1CCC[C@H](N(Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531741 1040303952 /nfs/dbraw/zinc/30/39/52/1040303952.db2.gz KWYXQXVPODXGLB-ZEQRLZLVSA-N 1 3 391.559 3.774 20 0 GHADHO CC(C)(C)C[NH+]1CCC(N[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254692194 1040450855 /nfs/dbraw/zinc/45/08/55/1040450855.db2.gz OPARXMAAVDDDOC-QGZVFWFLSA-N 1 3 397.629 3.582 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](N1CCC(C)([NH+]3CCCC3)CC1)C2 ZINC001254786794 1040545261 /nfs/dbraw/zinc/54/52/61/1040545261.db2.gz UEMMZBDTNMRDDF-GOSISDBHSA-N 1 3 377.573 3.726 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CCC4(CC[NH2+]C4)CC3)c2n1 ZINC001235104581 1040592688 /nfs/dbraw/zinc/59/26/88/1040592688.db2.gz UHCMSSGKCGKXPT-UHFFFAOYSA-N 1 3 390.325 3.581 20 0 GHADHO COc1cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc(Br)c1[O-] ZINC001235157839 1040650794 /nfs/dbraw/zinc/65/07/94/1040650794.db2.gz SCSMKJSMPYKQIA-MRXNPFEDSA-N 1 3 383.330 3.517 20 0 GHADHO COc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc(Br)c1[O-] ZINC001235157839 1040650803 /nfs/dbraw/zinc/65/08/03/1040650803.db2.gz SCSMKJSMPYKQIA-MRXNPFEDSA-N 1 3 383.330 3.517 20 0 GHADHO CCOc1cc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)cn1 ZINC001235160224 1040653844 /nfs/dbraw/zinc/65/38/44/1040653844.db2.gz ZSDGCGKZPYKFCP-QGZVFWFLSA-N 1 3 382.346 3.597 20 0 GHADHO COc1cc(CN2CCCC[C@H]2C2CC[NH2+]CC2)cc(OC)c1Br ZINC001235162523 1040654313 /nfs/dbraw/zinc/65/43/13/1040654313.db2.gz WDCWXBHDKYQBDZ-INIZCTEOSA-N 1 3 397.357 3.820 20 0 GHADHO C[NH+](C)CC[C@@H](NC1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC001254992879 1040713783 /nfs/dbraw/zinc/71/37/83/1040713783.db2.gz YDYNLASRKSYSDQ-AAZCMCCISA-N 1 3 393.575 3.701 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254998435 1040718498 /nfs/dbraw/zinc/71/84/98/1040718498.db2.gz YHCNENAOUZWZRX-QLKXDWOZSA-N 1 3 393.575 3.515 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254998435 1040718512 /nfs/dbraw/zinc/71/85/12/1040718512.db2.gz YHCNENAOUZWZRX-QLKXDWOZSA-N 1 3 393.575 3.515 20 0 GHADHO O[C@H]1C[C@H](N[C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068709 1040763589 /nfs/dbraw/zinc/76/35/89/1040763589.db2.gz BNYDPFJFXSPEFL-FXEFVXDJSA-N 1 3 376.544 3.864 20 0 GHADHO O[C@H]1C[C@H](N[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068709 1040763609 /nfs/dbraw/zinc/76/36/09/1040763609.db2.gz BNYDPFJFXSPEFL-FXEFVXDJSA-N 1 3 376.544 3.864 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255123571 1040814596 /nfs/dbraw/zinc/81/45/96/1040814596.db2.gz CWRHYUIYQZUULU-WOZUAGRISA-N 1 3 385.552 3.781 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123571 1040814612 /nfs/dbraw/zinc/81/46/12/1040814612.db2.gz CWRHYUIYQZUULU-WOZUAGRISA-N 1 3 385.552 3.781 20 0 GHADHO COc1cccc([C@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001255123863 1040814665 /nfs/dbraw/zinc/81/46/65/1040814665.db2.gz FEQWYLHZVFETEJ-YCSHWKNNSA-N 1 3 380.532 3.904 20 0 GHADHO COc1cccc([C@@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001255123858 1040815119 /nfs/dbraw/zinc/81/51/19/1040815119.db2.gz FEQWYLHZVFETEJ-PIATZUFCSA-N 1 3 380.532 3.904 20 0 GHADHO CN1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001255123195 1040816088 /nfs/dbraw/zinc/81/60/88/1040816088.db2.gz OWRWWIFZOSXDOD-XMMPIXPASA-N 1 3 381.539 3.996 20 0 GHADHO CN1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001255123195 1040816095 /nfs/dbraw/zinc/81/60/95/1040816095.db2.gz OWRWWIFZOSXDOD-XMMPIXPASA-N 1 3 381.539 3.996 20 0 GHADHO CCC(CC)C(=O)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255130663 1040825638 /nfs/dbraw/zinc/82/56/38/1040825638.db2.gz HBTJFJWAGYSUBP-BXXSPATCSA-N 1 3 383.580 3.809 20 0 GHADHO CCC(CC)C(=O)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255130663 1040825649 /nfs/dbraw/zinc/82/56/49/1040825649.db2.gz HBTJFJWAGYSUBP-BXXSPATCSA-N 1 3 383.580 3.809 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N2CCCN(c4ccccn4)CC2)C3)cc1 ZINC001255136679 1040840273 /nfs/dbraw/zinc/84/02/73/1040840273.db2.gz MWBRGWPFINASDQ-NUNAXRQHSA-N 1 3 376.548 3.789 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N2CCCN(c4ccccn4)CC2)C3)cc1 ZINC001255136679 1040840285 /nfs/dbraw/zinc/84/02/85/1040840285.db2.gz MWBRGWPFINASDQ-NUNAXRQHSA-N 1 3 376.548 3.789 20 0 GHADHO Cc1nccn1-c1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235365259 1040857059 /nfs/dbraw/zinc/85/70/59/1040857059.db2.gz NKYKZIKBXOIHLN-ILBGXUMGSA-N 1 3 386.543 3.934 20 0 GHADHO COc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c1 ZINC001255150082 1040865896 /nfs/dbraw/zinc/86/58/96/1040865896.db2.gz LNXYBTKUWBLMLK-BESBDSHLSA-N 1 3 393.531 3.739 20 0 GHADHO COc1ccnc(O[C@@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c1 ZINC001255150082 1040865908 /nfs/dbraw/zinc/86/59/08/1040865908.db2.gz LNXYBTKUWBLMLK-BESBDSHLSA-N 1 3 393.531 3.739 20 0 GHADHO Cc1ccc(I)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235432872 1040934978 /nfs/dbraw/zinc/93/49/78/1040934978.db2.gz WSZOSOWINGPWNG-HOTGVXAUSA-N 1 3 398.332 3.811 20 0 GHADHO Fc1cccc(N2CCOC[C@@]3(CCCN(Cc4ccc5c(c4)C[NH2+]C5)C3)C2)c1 ZINC001235596434 1041007277 /nfs/dbraw/zinc/00/72/77/1041007277.db2.gz JGAKBURASJYHOK-XMMPIXPASA-N 1 3 395.522 3.548 20 0 GHADHO CC(C)(C)C1CCC([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC1 ZINC001255496088 1041091171 /nfs/dbraw/zinc/09/11/71/1041091171.db2.gz JPPSORNECZZJCQ-HRTMPFAESA-N 1 3 399.623 3.996 20 0 GHADHO CC[NH2+]C1CCN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CC1 ZINC001235726412 1041211491 /nfs/dbraw/zinc/21/14/91/1041211491.db2.gz PLBIHSDXJKOXHV-UHFFFAOYSA-N 1 3 392.591 3.583 20 0 GHADHO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1Cc1cc2c(s1)C[NH2+]CC2 ZINC001235835550 1041360575 /nfs/dbraw/zinc/36/05/75/1041360575.db2.gz WQVAJMIMYKERDJ-WDYCEAGBSA-N 1 3 389.609 3.689 20 0 GHADHO Brc1ccc(N2CC[NH2+]CC2)c(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC001235893708 1041416701 /nfs/dbraw/zinc/41/67/01/1041416701.db2.gz QTKSLLBZKQPDHU-CRAIPNDOSA-N 1 3 378.358 3.623 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001255958715 1041436535 /nfs/dbraw/zinc/43/65/35/1041436535.db2.gz FDAOAZYCLWWSNK-WOJBJXKFSA-N 1 3 393.641 3.924 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964535 1041444518 /nfs/dbraw/zinc/44/45/18/1041444518.db2.gz ZGAHXLVZMCVJMD-XUZZJYLKSA-N 1 3 385.596 3.664 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964535 1041444527 /nfs/dbraw/zinc/44/45/27/1041444527.db2.gz ZGAHXLVZMCVJMD-XUZZJYLKSA-N 1 3 385.596 3.664 20 0 GHADHO [NH3+]C1CN([C@@H]2CCCN(Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2)C1 ZINC001236072215 1041522989 /nfs/dbraw/zinc/52/29/89/1041522989.db2.gz FMKRTFXJQLJSTH-OAHLLOKOSA-N 1 3 380.319 3.861 20 0 GHADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC001236098493 1041534666 /nfs/dbraw/zinc/53/46/66/1041534666.db2.gz QPIKRZRDFFGERI-TZIWHRDSSA-N 1 3 384.545 3.705 20 0 GHADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC001236098493 1041534679 /nfs/dbraw/zinc/53/46/79/1041534679.db2.gz QPIKRZRDFFGERI-TZIWHRDSSA-N 1 3 384.545 3.705 20 0 GHADHO FC(F)(F)c1cccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Br ZINC001236320547 1041669832 /nfs/dbraw/zinc/66/98/32/1041669832.db2.gz INZXIHSSOYEGND-TXEJJXNPSA-N 1 3 377.248 3.899 20 0 GHADHO Cc1cc(OC2CC[NH2+]CC2)nc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC001236472320 1041731043 /nfs/dbraw/zinc/73/10/43/1041731043.db2.gz ZVFORXSNWBPMEK-RTWAWAEBSA-N 1 3 390.531 3.736 20 0 GHADHO CC(C)c1cc(Br)ccc1CN1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001236622462 1041789015 /nfs/dbraw/zinc/78/90/15/1041789015.db2.gz OGKZNLZDGYWDCZ-GOSISDBHSA-N 1 3 380.374 3.570 20 0 GHADHO Cc1ccc(CN(Cc2cnc3ccc(Cl)nn23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236723278 1041857555 /nfs/dbraw/zinc/85/75/55/1041857555.db2.gz RWKYPQBZUDEUND-IYARVYRRSA-N 1 3 383.927 3.963 20 0 GHADHO c1ncn(-c2cccc(C[N@H+]3CCC[C@]4(CCN(Cc5ccccc5)C4)C3)c2)n1 ZINC001236891224 1041941833 /nfs/dbraw/zinc/94/18/33/1041941833.db2.gz YPWRQKFHSCWHDM-DEOSSOPVSA-N 1 3 387.531 3.755 20 0 GHADHO c1ncn(-c2cccc(C[N@@H+]3CCC[C@]4(CCN(Cc5ccccc5)C4)C3)c2)n1 ZINC001236891224 1041941834 /nfs/dbraw/zinc/94/18/34/1041941834.db2.gz YPWRQKFHSCWHDM-DEOSSOPVSA-N 1 3 387.531 3.755 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccc(-c4ccc(Cl)cc4)nc3)CC2)CC1 ZINC001237021943 1041993841 /nfs/dbraw/zinc/99/38/41/1041993841.db2.gz XDWKEOCYIPBWPD-UHFFFAOYSA-N 1 3 398.982 3.861 20 0 GHADHO CC(C)CC(=O)OCc1cocc2c(CN3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)ccc1-2 ZINC001237281625 1042122472 /nfs/dbraw/zinc/12/24/72/1042122472.db2.gz FSGKZZWYWJWSEV-MJGOQNOKSA-N 1 3 384.520 3.857 20 0 GHADHO CC(C)CC(=O)OCc1cocc2c(CN3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)ccc1-2 ZINC001237281625 1042122477 /nfs/dbraw/zinc/12/24/77/1042122477.db2.gz FSGKZZWYWJWSEV-MJGOQNOKSA-N 1 3 384.520 3.857 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccn4nccc4c2)CC3)c1 ZINC001237541156 1042256719 /nfs/dbraw/zinc/25/67/19/1042256719.db2.gz PGUOCZJSWBBCKT-UHFFFAOYSA-N 1 3 390.531 3.831 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccn4nccc4c2)CC3)c1 ZINC001237541156 1042256724 /nfs/dbraw/zinc/25/67/24/1042256724.db2.gz PGUOCZJSWBBCKT-UHFFFAOYSA-N 1 3 390.531 3.831 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccc(-c4ccc(O)cc4)cc3)CC2)CC1 ZINC001237667466 1042313699 /nfs/dbraw/zinc/31/36/99/1042313699.db2.gz COYUXHZZRDONOQ-UHFFFAOYSA-N 1 3 379.548 3.519 20 0 GHADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(C[C@H]4C(=O)NC4CCC4)CC3)cc21 ZINC001237876767 1042405512 /nfs/dbraw/zinc/40/55/12/1042405512.db2.gz ITLHIDRAPCIQII-QFIPXVFZSA-N 1 3 393.575 3.959 20 0 GHADHO Cc1ccc(O)cc1C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001238098028 1042491255 /nfs/dbraw/zinc/49/12/55/1042491255.db2.gz UZPHQCSUJJSYCS-QFIPXVFZSA-N 1 3 380.532 3.956 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462672675 1070460894 /nfs/dbraw/zinc/46/08/94/1070460894.db2.gz KTKAVDGEFGFGLV-IPMKNSEASA-N 1 3 385.552 3.694 20 0 GHADHO C[C@@H]1C[C@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256539673 1043487004 /nfs/dbraw/zinc/48/70/04/1043487004.db2.gz DIQUNKQJDSFUEG-ZJSXRUAMSA-N 1 3 390.575 3.642 20 0 GHADHO C[C@@H]1C[C@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256539673 1043487020 /nfs/dbraw/zinc/48/70/20/1043487020.db2.gz DIQUNKQJDSFUEG-ZJSXRUAMSA-N 1 3 390.575 3.642 20 0 GHADHO CC(C)(C)OC(=O)COc1ccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC001256565525 1043539980 /nfs/dbraw/zinc/53/99/80/1043539980.db2.gz CMUDSVKWJKGQHM-UHFFFAOYSA-N 1 3 390.568 3.802 20 0 GHADHO COCCCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577901 1043549223 /nfs/dbraw/zinc/54/92/23/1043549223.db2.gz XTWFIHKBKUTKMZ-IBGZPJMESA-N 1 3 397.604 3.597 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001256606516 1043571414 /nfs/dbraw/zinc/57/14/14/1043571414.db2.gz WVECJYYIATZQED-TZIWHRDSSA-N 1 3 385.552 3.592 20 0 GHADHO O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCN(CC2CCCCC2)CC1 ZINC001292282703 1043663864 /nfs/dbraw/zinc/66/38/64/1043663864.db2.gz OANDMRMDGVQMCC-QHCPKHFHSA-N 1 3 383.580 3.591 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001257035049 1043812092 /nfs/dbraw/zinc/81/20/92/1043812092.db2.gz BIQSDYWZQQKUAS-UYAOXDASSA-N 1 3 378.944 3.873 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)N2CCC([NH3+])(Cc3ccccc3)CC2)cc1 ZINC001257155652 1043904660 /nfs/dbraw/zinc/90/46/60/1043904660.db2.gz XBRQWRMKDRVJLH-LJQANCHMSA-N 1 3 380.532 3.830 20 0 GHADHO CC(C)[C@@H]1C[C@H]([NH+]2CCC(N(C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206888 1043936564 /nfs/dbraw/zinc/93/65/64/1043936564.db2.gz XFBLGFFYLXWDMJ-UXHICEINSA-N 1 3 379.589 3.969 20 0 GHADHO CC(C)[NH+]1CCC(NC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC001257211637 1043937628 /nfs/dbraw/zinc/93/76/28/1043937628.db2.gz JOGAPLBSNXETAR-UHFFFAOYSA-N 1 3 381.358 3.917 20 0 GHADHO CCC(C)(C)C1CCC([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001257408390 1043989957 /nfs/dbraw/zinc/98/99/57/1043989957.db2.gz WVQAMHROLKMNIO-UHFFFAOYSA-N 1 3 387.612 3.806 20 0 GHADHO CCC(C)(C)C1CCC([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001257408390 1043989959 /nfs/dbraw/zinc/98/99/59/1043989959.db2.gz WVQAMHROLKMNIO-UHFFFAOYSA-N 1 3 387.612 3.806 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)CC1 ZINC001258013267 1044338521 /nfs/dbraw/zinc/33/85/21/1044338521.db2.gz NLWKGFVFHSBWSW-QFIPXVFZSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)CN1CCC([N@H+]2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)CC1 ZINC001258013267 1044338537 /nfs/dbraw/zinc/33/85/37/1044338537.db2.gz NLWKGFVFHSBWSW-QFIPXVFZSA-N 1 3 379.589 3.972 20 0 GHADHO CCC[NH+]1CCC(N2CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001258772258 1044756369 /nfs/dbraw/zinc/75/63/69/1044756369.db2.gz LKKXFSBAOOSVAY-QFIPXVFZSA-N 1 3 379.589 3.974 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001295977075 1045204192 /nfs/dbraw/zinc/20/41/92/1045204192.db2.gz GXJCFABDFGJYEY-AABGKKOBSA-N 1 3 390.620 3.585 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001295977075 1045204205 /nfs/dbraw/zinc/20/42/05/1045204205.db2.gz GXJCFABDFGJYEY-AABGKKOBSA-N 1 3 390.620 3.585 20 0 GHADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)[C@@H](n2cncn2)C1 ZINC001261240218 1045935862 /nfs/dbraw/zinc/93/58/62/1045935862.db2.gz PTTYJFBFFXVZLW-LGKPFJOYSA-N 1 3 381.568 3.900 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001261438262 1045998661 /nfs/dbraw/zinc/99/86/61/1045998661.db2.gz YONCUKOSRCWGBO-AAZCMCCISA-N 1 3 394.559 3.739 20 0 GHADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001261438262 1045998671 /nfs/dbraw/zinc/99/86/71/1045998671.db2.gz YONCUKOSRCWGBO-AAZCMCCISA-N 1 3 394.559 3.739 20 0 GHADHO Cc1c(Br)cccc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001279638521 1047882588 /nfs/dbraw/zinc/88/25/88/1047882588.db2.gz GWBMYFICSQGYED-UHFFFAOYSA-N 1 3 394.401 3.607 20 0 GHADHO Cc1c(Br)cccc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001279638521 1047882601 /nfs/dbraw/zinc/88/26/01/1047882601.db2.gz GWBMYFICSQGYED-UHFFFAOYSA-N 1 3 394.401 3.607 20 0 GHADHO C[N@H+]1CC[C@H]2CN(Cc3cc(OC(F)F)ccc3Br)C[C@H]2CC1 ZINC001279698648 1047921393 /nfs/dbraw/zinc/92/13/93/1047921393.db2.gz NBMYFXGUZZBJII-BETUJISGSA-N 1 3 389.284 3.824 20 0 GHADHO C[N@@H+]1CC[C@H]2CN(Cc3cc(OC(F)F)ccc3Br)C[C@H]2CC1 ZINC001279698648 1047921398 /nfs/dbraw/zinc/92/13/98/1047921398.db2.gz NBMYFXGUZZBJII-BETUJISGSA-N 1 3 389.284 3.824 20 0 GHADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3cccc(Cl)c3Cl)(C1)C2 ZINC001279819534 1047959233 /nfs/dbraw/zinc/95/92/33/1047959233.db2.gz FCJSTINMVOFEGI-UHFFFAOYSA-N 1 3 398.378 3.806 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001287926203 1048949593 /nfs/dbraw/zinc/94/95/93/1048949593.db2.gz XVKPQQDMJWIPMJ-DNQXCXABSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001287926203 1048949595 /nfs/dbraw/zinc/94/95/95/1048949595.db2.gz XVKPQQDMJWIPMJ-DNQXCXABSA-N 1 3 391.559 3.679 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001307440332 1049276474 /nfs/dbraw/zinc/27/64/74/1049276474.db2.gz JLLIDQDSALFGFD-NJDAHSKKSA-N 1 3 393.616 3.933 20 0 GHADHO CN(CCNC(=O)C1CC[NH+](CCC(C)(C)C2CC2)CC1)Cc1ccccc1 ZINC001307504195 1049347631 /nfs/dbraw/zinc/34/76/31/1049347631.db2.gz OOCPYZLDRHOBMD-UHFFFAOYSA-N 1 3 385.596 3.773 20 0 GHADHO COC(=O)c1cccc(OCCNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001307659623 1049483884 /nfs/dbraw/zinc/48/38/84/1049483884.db2.gz UHSUWILZKGZMFP-OALUTQOASA-N 1 3 396.531 3.598 20 0 GHADHO CN(C)C(=O)C1([NH2+]CCCN2CCC(Cc3ccccc3)CC2)CCCCC1 ZINC001307780541 1049587227 /nfs/dbraw/zinc/58/72/27/1049587227.db2.gz VONXWNPFXXHZLS-UHFFFAOYSA-N 1 3 385.596 3.712 20 0 GHADHO C/C=C/C[C@@H]1CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001307973955 1049733412 /nfs/dbraw/zinc/73/34/12/1049733412.db2.gz LMVXLXLINRZGQV-YEFOHOTDSA-N 1 3 383.580 3.754 20 0 GHADHO CC(C)(C)OC(=O)C1CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001308635793 1050042569 /nfs/dbraw/zinc/04/25/69/1050042569.db2.gz SRQSFHSAFYURBT-QKQBLWMGSA-N 1 3 384.564 3.997 20 0 GHADHO CC(C)(C)OC(=O)C1CC(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001308635793 1050042574 /nfs/dbraw/zinc/04/25/74/1050042574.db2.gz SRQSFHSAFYURBT-QKQBLWMGSA-N 1 3 384.564 3.997 20 0 GHADHO CC(C)(C)OC(=O)C1CC(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001308635793 1050042581 /nfs/dbraw/zinc/04/25/81/1050042581.db2.gz SRQSFHSAFYURBT-QKQBLWMGSA-N 1 3 384.564 3.997 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(CN3CCN(C)CC3)c1)CCC2 ZINC001333468080 1051747509 /nfs/dbraw/zinc/74/75/09/1051747509.db2.gz YIFBYSQPSMDHBL-XMMPIXPASA-N 1 3 379.548 3.610 20 0 GHADHO CC(C)CCN1CCC([NH2+]CCNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC001333581755 1051776751 /nfs/dbraw/zinc/77/67/51/1051776751.db2.gz DHCLQQVHJDKCQE-UHFFFAOYSA-N 1 3 385.474 3.535 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(C(C)(C)O)cc1 ZINC001334361948 1051934407 /nfs/dbraw/zinc/93/44/07/1051934407.db2.gz XGQLKNDWKIYIKN-IBGZPJMESA-N 1 3 381.564 3.512 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccsc1 ZINC001311397750 1052094792 /nfs/dbraw/zinc/09/47/92/1052094792.db2.gz WSZUDGTWQTWIDW-OBXNSHGQSA-N 1 3 392.613 3.837 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001311400788 1052101663 /nfs/dbraw/zinc/10/16/63/1052101663.db2.gz SXUHZAKZJRZSTA-PHZLKFDYSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001311400788 1052101671 /nfs/dbraw/zinc/10/16/71/1052101671.db2.gz SXUHZAKZJRZSTA-PHZLKFDYSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001311641620 1052294742 /nfs/dbraw/zinc/29/47/42/1052294742.db2.gz XLQIRGXKOLLPRH-UGKGYDQZSA-N 1 3 388.600 3.661 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001313169196 1052975099 /nfs/dbraw/zinc/97/50/99/1052975099.db2.gz ZPUQFYFWCFAJTA-OAQYLSRUSA-N 1 3 386.584 3.557 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001313169196 1052975102 /nfs/dbraw/zinc/97/51/02/1052975102.db2.gz ZPUQFYFWCFAJTA-OAQYLSRUSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccccc2N2CCN(C)CC2)CC1 ZINC001319288607 1055157896 /nfs/dbraw/zinc/15/78/96/1055157896.db2.gz CVYXWZAEDTUSCZ-REWPJTCUSA-N 1 3 384.612 3.571 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC001323809288 1057017006 /nfs/dbraw/zinc/01/70/06/1057017006.db2.gz NBTZZMHEUJIVAG-VQTJNVASSA-N 1 3 392.975 3.603 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC001323809288 1057017010 /nfs/dbraw/zinc/01/70/10/1057017010.db2.gz NBTZZMHEUJIVAG-VQTJNVASSA-N 1 3 392.975 3.603 20 0 GHADHO CC1CCN([C@H](CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c2cccs2)CC1 ZINC001338886094 1058857888 /nfs/dbraw/zinc/85/78/88/1058857888.db2.gz GUGRRHFEVTYFFW-IPMKNSEASA-N 1 3 392.613 3.693 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001450132455 1060538731 /nfs/dbraw/zinc/53/87/31/1060538731.db2.gz PGUYCTSZOUYRBF-PMACEKPBSA-N 1 3 377.598 3.638 20 0 GHADHO COC(=O)c1ccc(OC)c(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001459876362 1064252321 /nfs/dbraw/zinc/25/23/21/1064252321.db2.gz GOSJBGIWYPSZRI-UHFFFAOYSA-N 1 3 397.519 3.615 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC001465762034 1065838178 /nfs/dbraw/zinc/83/81/78/1065838178.db2.gz RHEIEMFWVBDFOV-INIZCTEOSA-N 1 3 394.535 3.541 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC001465762034 1065838189 /nfs/dbraw/zinc/83/81/89/1065838189.db2.gz RHEIEMFWVBDFOV-INIZCTEOSA-N 1 3 394.535 3.541 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001357338102 1067051830 /nfs/dbraw/zinc/05/18/30/1067051830.db2.gz NZQOGRZHQANGIG-QZTJIDSGSA-N 1 3 375.582 3.561 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001477615905 1078492717 /nfs/dbraw/zinc/49/27/17/1078492717.db2.gz ZNUKNXQHGWNHNX-IFMALSPDSA-N 1 3 398.595 3.872 20 0 GHADHO C[N@H+](CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CCCCC1 ZINC001477926230 1078631056 /nfs/dbraw/zinc/63/10/56/1078631056.db2.gz FELTVXMRHKQQJM-QFIPXVFZSA-N 1 3 386.584 3.777 20 0 GHADHO C[N@@H+](CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CCCCC1 ZINC001477926230 1078631059 /nfs/dbraw/zinc/63/10/59/1078631059.db2.gz FELTVXMRHKQQJM-QFIPXVFZSA-N 1 3 386.584 3.777 20 0 GHADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057400 1078695013 /nfs/dbraw/zinc/69/50/13/1078695013.db2.gz KOFPYZSOUVSRJM-UXHICEINSA-N 1 3 392.975 3.506 20 0 GHADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057400 1078695016 /nfs/dbraw/zinc/69/50/16/1078695016.db2.gz KOFPYZSOUVSRJM-UXHICEINSA-N 1 3 392.975 3.506 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460615138 1069032648 /nfs/dbraw/zinc/03/26/48/1069032648.db2.gz IOAPGZYPQFEFET-NFBKMPQASA-N 1 3 379.548 3.535 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460615138 1069032669 /nfs/dbraw/zinc/03/26/69/1069032669.db2.gz IOAPGZYPQFEFET-NFBKMPQASA-N 1 3 379.548 3.535 20 0 GHADHO CC(C)[NH+]1CCC(CCNC(=O)N(CCN(C)C)CC2CCCCC2)CC1 ZINC001470949902 1072840699 /nfs/dbraw/zinc/84/06/99/1072840699.db2.gz SCWPNNKPHJBNBK-UHFFFAOYSA-N 1 3 380.621 3.650 20 0 GHADHO CCCN1CCC([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001473915575 1074201569 /nfs/dbraw/zinc/20/15/69/1074201569.db2.gz AMHVLVLMENIAEZ-UHFFFAOYSA-N 1 3 387.568 3.944 20 0 GHADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505147 1074437554 /nfs/dbraw/zinc/43/75/54/1074437554.db2.gz PTCMVTKFXNVHFJ-SPACUTFJSA-N 1 3 377.573 3.581 20 0 GHADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505147 1074437556 /nfs/dbraw/zinc/43/75/56/1074437556.db2.gz PTCMVTKFXNVHFJ-SPACUTFJSA-N 1 3 377.573 3.581 20 0 GHADHO FC(F)(F)c1ccn(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 ZINC001474694743 1074519977 /nfs/dbraw/zinc/51/99/77/1074519977.db2.gz MXKFTDFZFLOTJS-KSZLIROESA-N 1 3 378.442 3.545 20 0 GHADHO FC(F)(F)c1ccn(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC001474694743 1074519981 /nfs/dbraw/zinc/51/99/81/1074519981.db2.gz MXKFTDFZFLOTJS-KSZLIROESA-N 1 3 378.442 3.545 20 0 GHADHO FC(F)(F)c1ccn(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC001474694743 1074519986 /nfs/dbraw/zinc/51/99/86/1074519986.db2.gz MXKFTDFZFLOTJS-KSZLIROESA-N 1 3 378.442 3.545 20 0 GHADHO COC(=O)c1sccc1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001474745551 1074542812 /nfs/dbraw/zinc/54/28/12/1074542812.db2.gz RVTQYJJESPPSBW-HSALFYBXSA-N 1 3 384.545 3.925 20 0 GHADHO COC(=O)c1sccc1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001474745551 1074542814 /nfs/dbraw/zinc/54/28/14/1074542814.db2.gz RVTQYJJESPPSBW-HSALFYBXSA-N 1 3 384.545 3.925 20 0 GHADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000820704544 606914768 /nfs/dbraw/zinc/91/47/68/606914768.db2.gz OPGZHQCYCACYHK-ROUUACIJSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000820704544 606914770 /nfs/dbraw/zinc/91/47/70/606914770.db2.gz OPGZHQCYCACYHK-ROUUACIJSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000820704544 606914772 /nfs/dbraw/zinc/91/47/72/606914772.db2.gz OPGZHQCYCACYHK-ROUUACIJSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000820704544 606914774 /nfs/dbraw/zinc/91/47/74/606914774.db2.gz OPGZHQCYCACYHK-ROUUACIJSA-N 1 3 382.556 3.904 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ncccc4CN4CCCC4)[C@@H]3C2)cc1 ZINC001164622283 719111564 /nfs/dbraw/zinc/11/15/64/719111564.db2.gz BPRWQZKCRXMCQY-JTHBVZDNSA-N 1 3 376.548 3.778 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ncccc4CN4CCCC4)[C@@H]3C2)cc1 ZINC001164622283 719111568 /nfs/dbraw/zinc/11/15/68/719111568.db2.gz BPRWQZKCRXMCQY-JTHBVZDNSA-N 1 3 376.548 3.778 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423381881 837725011 /nfs/dbraw/zinc/72/50/11/837725011.db2.gz ZZJQDKFBOYJISW-WXHSDQCUSA-N 1 3 377.838 3.935 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccc(C[NH3+])cc1F ZINC000650717751 834647230 /nfs/dbraw/zinc/64/72/30/834647230.db2.gz LMIDKYGOKMFXBE-GFCCVEGCSA-N 1 3 383.389 3.810 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000536098126 834847711 /nfs/dbraw/zinc/84/77/11/834847711.db2.gz JAPBZZUTULKMCJ-DHIUTWEWSA-N 1 3 394.563 3.773 20 0 GHADHO C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000471131651 834861223 /nfs/dbraw/zinc/86/12/23/834861223.db2.gz SHVIFEKZEWVNNZ-IIBYNOLFSA-N 1 3 379.504 3.916 20 0 GHADHO Brc1ccc2[nH]c(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1 ZINC000655757178 837830941 /nfs/dbraw/zinc/83/09/41/837830941.db2.gz PEEIRIXDWSJVDR-GOSISDBHSA-N 1 3 392.341 3.663 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274758080 835037141 /nfs/dbraw/zinc/03/71/41/835037141.db2.gz JHIVADQJINZHCX-RXVVDRJESA-N 1 3 379.504 3.643 20 0 GHADHO OC1CC[NH+](Cc2ccc(CNCc3ccccc3N3CCCCC3)cc2)CC1 ZINC000892397695 835068925 /nfs/dbraw/zinc/06/89/25/835068925.db2.gz QFSXQUWUVZAYBN-UHFFFAOYSA-N 1 3 393.575 3.923 20 0 GHADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000143110201 835107626 /nfs/dbraw/zinc/10/76/26/835107626.db2.gz QFHPABIEDQUVBB-HSZRJFAPSA-N 1 3 377.532 3.677 20 0 GHADHO C[C@@H]1C[C@H]1c1noc(CC2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC000651954754 835218105 /nfs/dbraw/zinc/21/81/05/835218105.db2.gz TXNAKWQMKGOIIS-DYESRHJHSA-N 1 3 398.551 3.588 20 0 GHADHO CC[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(C)ccc1OC ZINC000180997484 835250409 /nfs/dbraw/zinc/25/04/09/835250409.db2.gz VNLBCLZNPAAJKR-NRFANRHFSA-N 1 3 383.536 3.536 20 0 GHADHO FCC1(CF)CC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000658024813 835376472 /nfs/dbraw/zinc/37/64/72/835376472.db2.gz WZHSPXDUIDEFLG-LJQANCHMSA-N 1 3 378.507 3.593 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135355 835445014 /nfs/dbraw/zinc/44/50/14/835445014.db2.gz DHRPLABBJQDPNL-CTNGQTDRSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135355 835445015 /nfs/dbraw/zinc/44/50/15/835445015.db2.gz DHRPLABBJQDPNL-CTNGQTDRSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136496 835445797 /nfs/dbraw/zinc/44/57/97/835445797.db2.gz HDUUPNRRLXHZOT-UPVQGACJSA-N 1 3 392.543 3.745 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136496 835445802 /nfs/dbraw/zinc/44/58/02/835445802.db2.gz HDUUPNRRLXHZOT-UPVQGACJSA-N 1 3 392.543 3.745 20 0 GHADHO Cn1cc([C@@H](NCC2CC[NH+](Cc3ccncc3)CC2)c2cccc(F)c2)cn1 ZINC000658168714 835483773 /nfs/dbraw/zinc/48/37/73/835483773.db2.gz XWSIVAVAAKWLTG-QHCPKHFHSA-N 1 3 393.510 3.545 20 0 GHADHO Cn1cc([C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2cccc(F)c2)cn1 ZINC000658168714 835483779 /nfs/dbraw/zinc/48/37/79/835483779.db2.gz XWSIVAVAAKWLTG-QHCPKHFHSA-N 1 3 393.510 3.545 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000177291252 836263208 /nfs/dbraw/zinc/26/32/08/836263208.db2.gz PVYYOIXBDGNDDX-FQEVSTJZSA-N 1 3 387.568 3.540 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483551 844156400 /nfs/dbraw/zinc/15/64/00/844156400.db2.gz HNEODEJGNDCHTA-REWPJTCUSA-N 1 3 379.548 3.523 20 0 GHADHO O[C@@H](COc1c(Cl)cccc1Cl)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972484 844212189 /nfs/dbraw/zinc/21/21/89/844212189.db2.gz MUYKLSNTBAZRSV-MRXNPFEDSA-N 1 3 387.351 3.541 20 0 GHADHO Brc1cccc(OCCSCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247149021 836942729 /nfs/dbraw/zinc/94/27/29/836942729.db2.gz XHXMBVKECTZCRK-IRXDYDNUSA-N 1 3 399.398 3.778 20 0 GHADHO Brc1cccc(OCCSCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000247149021 836942745 /nfs/dbraw/zinc/94/27/45/836942745.db2.gz XHXMBVKECTZCRK-IRXDYDNUSA-N 1 3 399.398 3.778 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(Cl)s1 ZINC000414320022 837102032 /nfs/dbraw/zinc/10/20/32/837102032.db2.gz AXZVGQUMQZRNKA-AWEZNQCLSA-N 1 3 391.968 3.950 20 0 GHADHO CN(C)Cc1cc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)ccc1F ZINC000120900695 837201965 /nfs/dbraw/zinc/20/19/65/837201965.db2.gz RBMZIUGYQVBZRQ-UHFFFAOYSA-N 1 3 387.518 3.823 20 0 GHADHO c1c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000030907147 837349062 /nfs/dbraw/zinc/34/90/62/837349062.db2.gz UBWJHEVFRRVXST-FQEVSTJZSA-N 1 3 387.531 3.567 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000659245989 838000741 /nfs/dbraw/zinc/00/07/41/838000741.db2.gz FFPPQCKBWPYFBF-WTNAPCKOSA-N 1 3 377.532 3.631 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2NCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000659270002 838042358 /nfs/dbraw/zinc/04/23/58/838042358.db2.gz SAHWITJNEVIPCS-RZFNWQHOSA-N 1 3 377.532 3.733 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2NCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000659270002 838042366 /nfs/dbraw/zinc/04/23/66/838042366.db2.gz SAHWITJNEVIPCS-RZFNWQHOSA-N 1 3 377.532 3.733 20 0 GHADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@H]1NCc2ccccc21 ZINC000659278133 838063210 /nfs/dbraw/zinc/06/32/10/838063210.db2.gz KNSRPOMZVPWDNS-HXUWFJFHSA-N 1 3 391.519 3.551 20 0 GHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1NCc2ccccc21 ZINC000659285337 838210530 /nfs/dbraw/zinc/21/05/30/838210530.db2.gz MKMVVGNTFRHPJH-NZQKXSOJSA-N 1 3 377.532 3.592 20 0 GHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1NCc2ccccc21 ZINC000659285337 838210540 /nfs/dbraw/zinc/21/05/40/838210540.db2.gz MKMVVGNTFRHPJH-NZQKXSOJSA-N 1 3 377.532 3.592 20 0 GHADHO Cc1ccc([C@H](CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)N(C)C)cc1 ZINC000415960443 838329291 /nfs/dbraw/zinc/32/92/91/838329291.db2.gz BIJPFYWWHBUQBS-SFHVURJKSA-N 1 3 394.441 3.897 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000415996406 838373839 /nfs/dbraw/zinc/37/38/39/838373839.db2.gz MRNLTBCRLVSPKI-NZQKXSOJSA-N 1 3 390.531 3.808 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415996406 838373842 /nfs/dbraw/zinc/37/38/42/838373842.db2.gz MRNLTBCRLVSPKI-NZQKXSOJSA-N 1 3 390.531 3.808 20 0 GHADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182625161 839120304 /nfs/dbraw/zinc/12/03/04/839120304.db2.gz DUOVCFSOBLMQJM-ROUUACIJSA-N 1 3 375.557 3.637 20 0 GHADHO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000415072025 839168331 /nfs/dbraw/zinc/16/83/31/839168331.db2.gz VDGJZIBHDZXAAC-MRXNPFEDSA-N 1 3 384.549 3.942 20 0 GHADHO CCCOc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OCC ZINC000415120564 839227659 /nfs/dbraw/zinc/22/76/59/839227659.db2.gz GKLHQWNWSCLMBW-DENIHFKCSA-N 1 3 376.541 3.592 20 0 GHADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccccc3OCc3ccccc3)CC2)C1 ZINC000415117917 839230595 /nfs/dbraw/zinc/23/05/95/839230595.db2.gz CPHHPCFICKXHJD-UPVQGACJSA-N 1 3 380.532 3.984 20 0 GHADHO CCOc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OCC(C)C ZINC000415118852 839231061 /nfs/dbraw/zinc/23/10/61/839231061.db2.gz DPVVFQHBTBHTLL-RBBKRZOGSA-N 1 3 390.568 3.838 20 0 GHADHO CCCCOc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000415131044 839257989 /nfs/dbraw/zinc/25/79/89/839257989.db2.gz RTGGXSNECYIPCH-UGKGYDQZSA-N 1 3 376.541 3.592 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000125738253 839649759 /nfs/dbraw/zinc/64/97/59/839649759.db2.gz BYYSQZMOLQYDNW-HOTGVXAUSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000125738253 839649761 /nfs/dbraw/zinc/64/97/61/839649761.db2.gz BYYSQZMOLQYDNW-HOTGVXAUSA-N 1 3 396.373 3.876 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000125738253 839649763 /nfs/dbraw/zinc/64/97/63/839649763.db2.gz BYYSQZMOLQYDNW-HOTGVXAUSA-N 1 3 396.373 3.876 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829280 840299353 /nfs/dbraw/zinc/29/93/53/840299353.db2.gz HHYHSCDPLUNARE-JTHBVZDNSA-N 1 3 390.527 3.691 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829280 840299356 /nfs/dbraw/zinc/29/93/56/840299356.db2.gz HHYHSCDPLUNARE-JTHBVZDNSA-N 1 3 390.527 3.691 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H]3CN(CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000580920889 840434449 /nfs/dbraw/zinc/43/44/49/840434449.db2.gz RISKWBISRZPTRH-FGZHOGPDSA-N 1 3 388.515 3.733 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000580920889 840434452 /nfs/dbraw/zinc/43/44/52/840434452.db2.gz RISKWBISRZPTRH-FGZHOGPDSA-N 1 3 388.515 3.733 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CC(c3ccccc3F)C2)cc1 ZINC000128160335 840672379 /nfs/dbraw/zinc/67/23/79/840672379.db2.gz OXDAGKPUQRHTHT-UHFFFAOYSA-N 1 3 395.522 3.687 20 0 GHADHO CCC1(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CCN(Cc2ccccc2)CC1 ZINC000511808669 840826931 /nfs/dbraw/zinc/82/69/31/840826931.db2.gz PIMHJFYLFQUDNH-SFTDATJTSA-N 1 3 392.609 3.624 20 0 GHADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647181272 842224952 /nfs/dbraw/zinc/22/49/52/842224952.db2.gz SWDXTTOORBPTCM-UHFFFAOYSA-N 1 3 395.938 3.923 20 0 GHADHO C[C@H]1C[N@H+](CCCN[C@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448282 842238598 /nfs/dbraw/zinc/23/85/98/842238598.db2.gz SEKFZISHBARYFL-KXBFYZLASA-N 1 3 381.358 3.917 20 0 GHADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448282 842238608 /nfs/dbraw/zinc/23/86/08/842238608.db2.gz SEKFZISHBARYFL-KXBFYZLASA-N 1 3 381.358 3.917 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]C3CCSCC3)CC2)cc1 ZINC000119538964 842263255 /nfs/dbraw/zinc/26/32/55/842263255.db2.gz LAJUCBPEKMYNEP-UHFFFAOYSA-N 1 3 381.589 3.994 20 0 GHADHO CC(C)c1ccc(SCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797996 842812770 /nfs/dbraw/zinc/81/27/70/842812770.db2.gz OANQHJSISOBZBT-UHFFFAOYSA-N 1 3 389.609 3.577 20 0 GHADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc21 ZINC000662348090 843155255 /nfs/dbraw/zinc/15/52/55/843155255.db2.gz NPLQSVFTNTXUAG-QUCCMNQESA-N 1 3 383.561 3.694 20 0 GHADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)cc21 ZINC000662375061 843175248 /nfs/dbraw/zinc/17/52/48/843175248.db2.gz QNNBUMGIRROFPQ-GMAHTHKFSA-N 1 3 377.532 3.632 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000662389654 843176800 /nfs/dbraw/zinc/17/68/00/843176800.db2.gz YTXLZZJHDLODSA-MBSDFSHPSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000662389654 843176810 /nfs/dbraw/zinc/17/68/10/843176810.db2.gz YTXLZZJHDLODSA-MBSDFSHPSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662388210 843183900 /nfs/dbraw/zinc/18/39/00/843183900.db2.gz KKIYNPKCOCMKLG-INIZCTEOSA-N 1 3 383.561 3.556 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662388210 843183905 /nfs/dbraw/zinc/18/39/05/843183905.db2.gz KKIYNPKCOCMKLG-INIZCTEOSA-N 1 3 383.561 3.556 20 0 GHADHO O=C(CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)NCC1CCCCC1 ZINC000512247204 843209777 /nfs/dbraw/zinc/20/97/77/843209777.db2.gz YXMUXWZUDOHTJW-XMMPIXPASA-N 1 3 383.580 3.671 20 0 GHADHO O=C(CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NCC1CCCCC1 ZINC000512247204 843209782 /nfs/dbraw/zinc/20/97/82/843209782.db2.gz YXMUXWZUDOHTJW-XMMPIXPASA-N 1 3 383.580 3.671 20 0 GHADHO c1cc(CN2CCC(c3nnc4n3CCC4)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000662695539 843524686 /nfs/dbraw/zinc/52/46/86/843524686.db2.gz KJPSZUHLWKDYEF-UHFFFAOYSA-N 1 3 379.552 3.590 20 0 GHADHO c1ccc(CCCCN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512409296 843717599 /nfs/dbraw/zinc/71/75/99/843717599.db2.gz NBUPNZJQFCLGIA-RUZDIDTESA-N 1 3 377.576 3.901 20 0 GHADHO c1ccc(CCCCN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512409296 843717602 /nfs/dbraw/zinc/71/76/02/843717602.db2.gz NBUPNZJQFCLGIA-RUZDIDTESA-N 1 3 377.576 3.901 20 0 GHADHO C[C@H](CCc1ccccc1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512411306 843722889 /nfs/dbraw/zinc/72/28/89/843722889.db2.gz XJOSNPWCIQGVTA-RDGATRHJSA-N 1 3 377.576 3.900 20 0 GHADHO C[C@H](CCc1ccccc1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512411306 843722892 /nfs/dbraw/zinc/72/28/92/843722892.db2.gz XJOSNPWCIQGVTA-RDGATRHJSA-N 1 3 377.576 3.900 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)N2CCN(C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512412755 843725053 /nfs/dbraw/zinc/72/50/53/843725053.db2.gz RBRSHHFERZIOBZ-IRLDBZIGSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)N2CCN(C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412755 843725063 /nfs/dbraw/zinc/72/50/63/843725063.db2.gz RBRSHHFERZIOBZ-IRLDBZIGSA-N 1 3 398.595 3.557 20 0 GHADHO O=C(NCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1cccs1 ZINC000512626571 844804438 /nfs/dbraw/zinc/80/44/38/844804438.db2.gz VJMWFCBEYJMCJK-PCCBWWKXSA-N 1 3 397.588 3.758 20 0 GHADHO CN(CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512635143 844843876 /nfs/dbraw/zinc/84/38/76/844843876.db2.gz GCJRVEVZKZGWOR-SLFFLAALSA-N 1 3 383.502 3.761 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512666824 844967911 /nfs/dbraw/zinc/96/79/11/844967911.db2.gz MPLBTFLZZDWKOA-ZYQDXHPFSA-N 1 3 378.560 3.728 20 0 GHADHO C[C@@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512704106 845099639 /nfs/dbraw/zinc/09/96/39/845099639.db2.gz WVZWDJRZMXITKN-CTNGQTDRSA-N 1 3 392.632 3.793 20 0 GHADHO C[C@@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512704106 845099647 /nfs/dbraw/zinc/09/96/47/845099647.db2.gz WVZWDJRZMXITKN-CTNGQTDRSA-N 1 3 392.632 3.793 20 0 GHADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433118551 845375239 /nfs/dbraw/zinc/37/52/39/845375239.db2.gz XLXRXASXPZPADF-OAQYLSRUSA-N 1 3 383.580 3.622 20 0 GHADHO CCn1nc(CNCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c2ccccc21 ZINC000472050102 845589923 /nfs/dbraw/zinc/58/99/23/845589923.db2.gz UYGQCAKEGDVEOX-RTBURBONSA-N 1 3 392.547 3.955 20 0 GHADHO CCn1nc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c2ccccc21 ZINC000472050102 845589935 /nfs/dbraw/zinc/58/99/35/845589935.db2.gz UYGQCAKEGDVEOX-RTBURBONSA-N 1 3 392.547 3.955 20 0 GHADHO Cc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC001167505847 845634336 /nfs/dbraw/zinc/63/43/36/845634336.db2.gz WOOSYAYMSVSODM-FQEVSTJZSA-N 1 3 383.511 3.917 20 0 GHADHO Cc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001167505847 845634343 /nfs/dbraw/zinc/63/43/43/845634343.db2.gz WOOSYAYMSVSODM-FQEVSTJZSA-N 1 3 383.511 3.917 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000236884283 845754165 /nfs/dbraw/zinc/75/41/65/845754165.db2.gz QYQONHFOOHLAHW-QZTJIDSGSA-N 1 3 397.485 3.594 20 0 GHADHO COCCOCc1ccc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000582094292 846304354 /nfs/dbraw/zinc/30/43/54/846304354.db2.gz DRWMRCCIJVXZDM-JWQCQUIFSA-N 1 3 394.559 3.804 20 0 GHADHO COCCOCc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000582094292 846304360 /nfs/dbraw/zinc/30/43/60/846304360.db2.gz DRWMRCCIJVXZDM-JWQCQUIFSA-N 1 3 394.559 3.804 20 0 GHADHO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414428485 846831790 /nfs/dbraw/zinc/83/17/90/846831790.db2.gz BHNQPRHJVIBANE-FQEVSTJZSA-N 1 3 378.495 3.932 20 0 GHADHO O=C(CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000647900739 847120831 /nfs/dbraw/zinc/12/08/31/847120831.db2.gz FVRRPRCTACKQDP-GOTSBHOMSA-N 1 3 391.559 3.746 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(OC)c(OC)c1 ZINC000272761586 847164562 /nfs/dbraw/zinc/16/45/62/847164562.db2.gz QHUBYGJGWUTOSY-FCHUYYIVSA-N 1 3 398.547 3.901 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(OC)c(OC)c1 ZINC000272761586 847164565 /nfs/dbraw/zinc/16/45/65/847164565.db2.gz QHUBYGJGWUTOSY-FCHUYYIVSA-N 1 3 398.547 3.901 20 0 GHADHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3nc(-c4ccccc4C)no3)CC2)CC1 ZINC000420981696 847589211 /nfs/dbraw/zinc/58/92/11/847589211.db2.gz NLUDSRKQBNRTDT-LJQANCHMSA-N 1 3 397.567 3.598 20 0 GHADHO CCN1CCC([N@H+]2CCCN([C@H](C)c3nc(-c4ccccc4C)no3)CC2)CC1 ZINC000420981696 847589218 /nfs/dbraw/zinc/58/92/18/847589218.db2.gz NLUDSRKQBNRTDT-LJQANCHMSA-N 1 3 397.567 3.598 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361090 847640348 /nfs/dbraw/zinc/64/03/48/847640348.db2.gz LGYPAEINDYUCFU-SESVDKBCSA-N 1 3 398.551 3.530 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361090 847640355 /nfs/dbraw/zinc/64/03/55/847640355.db2.gz LGYPAEINDYUCFU-SESVDKBCSA-N 1 3 398.551 3.530 20 0 GHADHO CCOC(=O)C1([C@@H](C)N[C@H](c2ccccc2)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422876239 847864820 /nfs/dbraw/zinc/86/48/20/847864820.db2.gz QBLKLHJMURNEES-DYESRHJHSA-N 1 3 384.495 3.826 20 0 GHADHO CCOC(=O)C1([C@@H](C)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423022974 847943114 /nfs/dbraw/zinc/94/31/14/847943114.db2.gz IWEFVPHYCPWYAV-CJNGLKHVSA-N 1 3 390.421 3.730 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000657544055 848157864 /nfs/dbraw/zinc/15/78/64/848157864.db2.gz LRQXKJZQROGFIP-HSZRJFAPSA-N 1 3 377.532 3.610 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000657544055 848157872 /nfs/dbraw/zinc/15/78/72/848157872.db2.gz LRQXKJZQROGFIP-HSZRJFAPSA-N 1 3 377.532 3.610 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cnc(-c4ccccc4F)s3)cc2)C1 ZINC000657596560 848280892 /nfs/dbraw/zinc/28/08/92/848280892.db2.gz OFDMPEVONPCYCK-SFHVURJKSA-N 1 3 397.519 3.806 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cnc(-c4ccccc4F)s3)cc2)C1 ZINC000657596560 848280895 /nfs/dbraw/zinc/28/08/95/848280895.db2.gz OFDMPEVONPCYCK-SFHVURJKSA-N 1 3 397.519 3.806 20 0 GHADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1OCC(C)C ZINC000657596020 848291083 /nfs/dbraw/zinc/29/10/83/848291083.db2.gz TZIANTMCROVDRH-QFIPXVFZSA-N 1 3 398.547 3.586 20 0 GHADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1OCC(C)C ZINC000657596020 848291090 /nfs/dbraw/zinc/29/10/90/848291090.db2.gz TZIANTMCROVDRH-QFIPXVFZSA-N 1 3 398.547 3.586 20 0 GHADHO Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Br ZINC000657596608 848297827 /nfs/dbraw/zinc/29/78/27/848297827.db2.gz OXOZRYMYJRVHDP-IBGZPJMESA-N 1 3 389.337 3.614 20 0 GHADHO Cc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Br ZINC000657596608 848297833 /nfs/dbraw/zinc/29/78/33/848297833.db2.gz OXOZRYMYJRVHDP-IBGZPJMESA-N 1 3 389.337 3.614 20 0 GHADHO FC(F)(F)Oc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657611663 848326239 /nfs/dbraw/zinc/32/62/39/848326239.db2.gz BQVJWWIGRAITNM-UHFFFAOYSA-N 1 3 379.426 3.982 20 0 GHADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000564411069 848897392 /nfs/dbraw/zinc/89/73/92/848897392.db2.gz JMLOZKSUNVPMCG-WBILKINKSA-N 1 3 380.479 3.782 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000583100060 849059956 /nfs/dbraw/zinc/05/99/56/849059956.db2.gz HPOPBASGINFMHR-NRFANRHFSA-N 1 3 389.971 3.640 20 0 GHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000162846582 849578040 /nfs/dbraw/zinc/57/80/40/849578040.db2.gz LDJIIZZDXOVEBH-KURKYZTESA-N 1 3 388.556 3.511 20 0 GHADHO C[NH+]1CCC(C)(CNCc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000503949297 849776617 /nfs/dbraw/zinc/77/66/17/849776617.db2.gz DWQWKXDQTDXYFA-UHFFFAOYSA-N 1 3 377.330 3.661 20 0 GHADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292668 849841850 /nfs/dbraw/zinc/84/18/50/849841850.db2.gz NVEHQWHLUIZTCF-DLBZAZTESA-N 1 3 389.565 3.588 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000514446766 849846842 /nfs/dbraw/zinc/84/68/42/849846842.db2.gz MAHPZOJXSABQSQ-QFIPXVFZSA-N 1 3 382.552 3.631 20 0 GHADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423378324 849892177 /nfs/dbraw/zinc/89/21/77/849892177.db2.gz FRKNKYJLWASICI-CJNGLKHVSA-N 1 3 398.498 3.605 20 0 GHADHO CN1CCC(N(Cc2ccco2)C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000514571654 850002965 /nfs/dbraw/zinc/00/29/65/850002965.db2.gz DZCPEWDMQQTGAJ-UHFFFAOYSA-N 1 3 390.572 3.540 20 0 GHADHO CC[C@@H](C)[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000518784373 850147107 /nfs/dbraw/zinc/14/71/07/850147107.db2.gz YFUQDLVQFGDQMH-QVKFZJNVSA-N 1 3 377.960 3.760 20 0 GHADHO C[C@H]1C[C@@H](CCNC(=O)c2ccccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000486912460 850228770 /nfs/dbraw/zinc/22/87/70/850228770.db2.gz UPJBIGJQIITCFL-PZJWPPBQSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@H]1C[C@@H](CCNC(=O)c2ccccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000486912460 850228778 /nfs/dbraw/zinc/22/87/78/850228778.db2.gz UPJBIGJQIITCFL-PZJWPPBQSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@H]1CC2(CN1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424294397 850338731 /nfs/dbraw/zinc/33/87/31/850338731.db2.gz QCLHCKKIJOJYPC-NZQKXSOJSA-N 1 3 391.559 3.551 20 0 GHADHO Cc1ccc([C@@H](NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c2cccs2)cc1 ZINC000424283124 850353381 /nfs/dbraw/zinc/35/33/81/850353381.db2.gz ATBSEQCYPZVLRD-PGRDOPGGSA-N 1 3 397.588 3.726 20 0 GHADHO Cc1ccc2[nH]c(CN3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)cc2c1C ZINC000518952824 850383850 /nfs/dbraw/zinc/38/38/50/850383850.db2.gz XWCODQRDLCXXHO-UHFFFAOYSA-N 1 3 396.579 3.599 20 0 GHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000506677605 850394959 /nfs/dbraw/zinc/39/49/59/850394959.db2.gz VQUTYPYIPYQOMF-UHFFFAOYSA-N 1 3 379.548 3.914 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](Cc3ccc(CC(F)(F)F)cc3)CC2)CC1 ZINC000638151241 850983563 /nfs/dbraw/zinc/98/35/63/850983563.db2.gz BJCYQTUMXYJYSD-UHFFFAOYSA-N 1 3 383.502 3.782 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434351798 851005147 /nfs/dbraw/zinc/00/51/47/851005147.db2.gz DIRMJIPCYOFFNE-KNQAVFIVSA-N 1 3 390.616 3.689 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434351798 851005153 /nfs/dbraw/zinc/00/51/53/851005153.db2.gz DIRMJIPCYOFFNE-KNQAVFIVSA-N 1 3 390.616 3.689 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000569939388 851030001 /nfs/dbraw/zinc/03/00/01/851030001.db2.gz RNEVZXRTXZZDFS-HSZRJFAPSA-N 1 3 383.580 3.840 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000514104559 851241333 /nfs/dbraw/zinc/24/13/33/851241333.db2.gz KTMIQUAOLXFYIW-KEZOAJOQSA-N 1 3 386.580 3.853 20 0 GHADHO CCCCCOc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000415111800 851337060 /nfs/dbraw/zinc/33/70/60/851337060.db2.gz QZVYXZSRJUAPNF-REWPJTCUSA-N 1 3 390.568 3.983 20 0 GHADHO CCCCOc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000415131040 851363337 /nfs/dbraw/zinc/36/33/37/851363337.db2.gz RTGGXSNECYIPCH-KNQAVFIVSA-N 1 3 376.541 3.592 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000436238504 851374795 /nfs/dbraw/zinc/37/47/95/851374795.db2.gz DIPMONACCJOGEX-RPWUZVMVSA-N 1 3 391.559 3.938 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436313717 851446860 /nfs/dbraw/zinc/44/68/60/851446860.db2.gz LYYCXSCOURBTTN-IAGOWNOFSA-N 1 3 376.850 3.826 20 0 GHADHO F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@@H]1CCCCN(Cc3ccccc3)C1)OCCO2 ZINC000894554392 851700567 /nfs/dbraw/zinc/70/05/67/851700567.db2.gz AUUGXIADYLHRFH-PWRODBHTSA-N 1 3 376.516 3.512 20 0 GHADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1cc(Cl)ccc1Cl ZINC000516563475 852726409 /nfs/dbraw/zinc/72/64/09/852726409.db2.gz JEUCOPSETYPHSR-KRWDZBQOSA-N 1 3 387.351 3.730 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490702961 853201876 /nfs/dbraw/zinc/20/18/76/853201876.db2.gz WAJMTPYMHVWOMV-PXDATVDWSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490702961 853201883 /nfs/dbraw/zinc/20/18/83/853201883.db2.gz WAJMTPYMHVWOMV-PXDATVDWSA-N 1 3 393.575 3.723 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000519757801 853468660 /nfs/dbraw/zinc/46/86/60/853468660.db2.gz BWIVAKYBVNMUPH-WAOWUJCRSA-N 1 3 382.976 3.736 20 0 GHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000519757801 853468665 /nfs/dbraw/zinc/46/86/65/853468665.db2.gz BWIVAKYBVNMUPH-WAOWUJCRSA-N 1 3 382.976 3.736 20 0 GHADHO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000571607452 853958305 /nfs/dbraw/zinc/95/83/05/853958305.db2.gz GEQUPDPVXSHEGD-JOCHJYFZSA-N 1 3 396.531 3.630 20 0 GHADHO Cc1ccc(Br)cc1[C@@H](C)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000623926748 862519059 /nfs/dbraw/zinc/51/90/59/862519059.db2.gz OMHKYBXLFIRTAD-OAHLLOKOSA-N 1 3 392.341 3.944 20 0 GHADHO CN1CCN(c2cc(C[NH2+]Cc3ccc(-c4ccc(F)cc4)o3)ccn2)CC1 ZINC000192985272 854025932 /nfs/dbraw/zinc/02/59/32/854025932.db2.gz FFCAHRCMGSPJAI-UHFFFAOYSA-N 1 3 380.467 3.522 20 0 GHADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000572702550 854939262 /nfs/dbraw/zinc/93/92/62/854939262.db2.gz RPFWCIZZAZTDEI-JXFKEZNVSA-N 1 3 388.556 3.686 20 0 GHADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000572702550 854939275 /nfs/dbraw/zinc/93/92/75/854939275.db2.gz RPFWCIZZAZTDEI-JXFKEZNVSA-N 1 3 388.556 3.686 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000573079041 855856762 /nfs/dbraw/zinc/85/67/62/855856762.db2.gz PNUPGXDGDKZSQW-GMAHTHKFSA-N 1 3 387.531 3.530 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000573079041 855856768 /nfs/dbraw/zinc/85/67/68/855856768.db2.gz PNUPGXDGDKZSQW-GMAHTHKFSA-N 1 3 387.531 3.530 20 0 GHADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SC(F)F)cc1 ZINC000765887449 855877063 /nfs/dbraw/zinc/87/70/63/855877063.db2.gz ZYIKFSYVSYVARS-AWEZNQCLSA-N 1 3 385.524 3.595 20 0 GHADHO C[C@H]1CC([NH2+]CC(=O)N(C)Cc2ccccc2)C[C@H](C)N1Cc1ccccc1 ZINC001168008235 856263719 /nfs/dbraw/zinc/26/37/19/856263719.db2.gz DFOBAOIETHVDHJ-PMACEKPBSA-N 1 3 379.548 3.676 20 0 GHADHO COc1cccc2cc([C@H](C)NCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)oc21 ZINC000658142457 856796594 /nfs/dbraw/zinc/79/65/94/856796594.db2.gz YKDCISOFYXIXCJ-OXJNMPFZSA-N 1 3 380.488 3.859 20 0 GHADHO COc1cccc2cc([C@H](C)NCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)oc21 ZINC000658142457 856796599 /nfs/dbraw/zinc/79/65/99/856796599.db2.gz YKDCISOFYXIXCJ-OXJNMPFZSA-N 1 3 380.488 3.859 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146470 856816904 /nfs/dbraw/zinc/81/69/04/856816904.db2.gz VGCIMUAFEAQPMZ-YWZLYKJASA-N 1 3 389.337 3.867 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146470 856816910 /nfs/dbraw/zinc/81/69/10/856816910.db2.gz VGCIMUAFEAQPMZ-YWZLYKJASA-N 1 3 389.337 3.867 20 0 GHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000485641499 856851681 /nfs/dbraw/zinc/85/16/81/856851681.db2.gz GHCPMPNIBXHOCH-SFHVURJKSA-N 1 3 393.522 3.510 20 0 GHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000485641499 856851691 /nfs/dbraw/zinc/85/16/91/856851691.db2.gz GHCPMPNIBXHOCH-SFHVURJKSA-N 1 3 393.522 3.510 20 0 GHADHO O[C@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391796 857444520 /nfs/dbraw/zinc/44/45/20/857444520.db2.gz CWMMGRZZBDTQQC-VQTJNVASSA-N 1 3 388.939 3.582 20 0 GHADHO O[C@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391796 857444527 /nfs/dbraw/zinc/44/45/27/857444527.db2.gz CWMMGRZZBDTQQC-VQTJNVASSA-N 1 3 388.939 3.582 20 0 GHADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(I)cc1 ZINC000593321398 857527737 /nfs/dbraw/zinc/52/77/37/857527737.db2.gz IZODGQBYJFGPFP-ZDUSSCGKSA-N 1 3 380.273 3.861 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)[NH+](C)C)cc1 ZINC000062428455 857569304 /nfs/dbraw/zinc/56/93/04/857569304.db2.gz IMIMDUDOHDALKC-SZPZYZBQSA-N 1 3 382.552 3.508 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)N(C)C)cc1 ZINC000062428455 857569316 /nfs/dbraw/zinc/56/93/16/857569316.db2.gz IMIMDUDOHDALKC-SZPZYZBQSA-N 1 3 382.552 3.508 20 0 GHADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(CC2CCCCC2)CC1 ZINC000064130756 857685847 /nfs/dbraw/zinc/68/58/47/857685847.db2.gz PTQNIMHQHANPFP-UHFFFAOYSA-N 1 3 398.595 3.559 20 0 GHADHO C[C@H](CNC(=O)OC(C)(C)C)NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168013685 857707064 /nfs/dbraw/zinc/70/70/64/857707064.db2.gz IMYBYJZTGDZFPK-KZNAEPCWSA-N 1 3 375.557 3.931 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1 ZINC000065939592 857883058 /nfs/dbraw/zinc/88/30/58/857883058.db2.gz CBMITXIQBXXKRV-UHFFFAOYSA-N 1 3 385.527 3.872 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnnn1-c1ccccc1 ZINC000676469520 857905018 /nfs/dbraw/zinc/90/50/18/857905018.db2.gz JLAIZTTZKQYXTP-OALUTQOASA-N 1 3 375.520 3.514 20 0 GHADHO COc1cccc(C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc2)c1 ZINC000442889731 858210050 /nfs/dbraw/zinc/21/00/50/858210050.db2.gz LEOUQIHCFKAEDL-HSZRJFAPSA-N 1 3 381.564 3.595 20 0 GHADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000443064453 858332660 /nfs/dbraw/zinc/33/26/60/858332660.db2.gz YGHPRUCLHAKOEX-VGOFRKELSA-N 1 3 385.939 3.606 20 0 GHADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000521955744 858482856 /nfs/dbraw/zinc/48/28/56/858482856.db2.gz WBEPGAXSDVMZPX-NFBKMPQASA-N 1 3 379.548 3.535 20 0 GHADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000521955744 858482860 /nfs/dbraw/zinc/48/28/60/858482860.db2.gz WBEPGAXSDVMZPX-NFBKMPQASA-N 1 3 379.548 3.535 20 0 GHADHO CCOC(=O)c1ccc2c(c1)nc(CN1CCC[C@@H](C)[C@H]1CCC[NH3+])n2CC ZINC000595912193 858715912 /nfs/dbraw/zinc/71/59/12/858715912.db2.gz ZEMVXTNALSCGEE-VQIMIIECSA-N 1 3 386.540 3.572 20 0 GHADHO CC1CC[NH+](CCCCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000071919679 858770195 /nfs/dbraw/zinc/77/01/95/858770195.db2.gz AREPJCKLCCOZFR-QFIPXVFZSA-N 1 3 386.584 3.635 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000443653126 859188557 /nfs/dbraw/zinc/18/85/57/859188557.db2.gz LWAVHJJKNZBRNX-CEXWTWQISA-N 1 3 392.613 3.503 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000443653126 859188563 /nfs/dbraw/zinc/18/85/63/859188563.db2.gz LWAVHJJKNZBRNX-CEXWTWQISA-N 1 3 392.613 3.503 20 0 GHADHO OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@H]1c1ccc(F)cc1 ZINC000429418330 859318991 /nfs/dbraw/zinc/31/89/91/859318991.db2.gz NHIYJRJUFONSRK-HSQNVRHTSA-N 1 3 394.534 3.792 20 0 GHADHO COc1ccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1SC(F)(F)F ZINC000923450911 859328950 /nfs/dbraw/zinc/32/89/50/859328950.db2.gz YDWKNXNEUJQRHN-AWEZNQCLSA-N 1 3 390.471 3.637 20 0 GHADHO C[C@@H](CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543379252 859472522 /nfs/dbraw/zinc/47/25/22/859472522.db2.gz HKZNKMFOSOMODM-SFTDATJTSA-N 1 3 386.584 3.557 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccsc1 ZINC000483728048 859581915 /nfs/dbraw/zinc/58/19/15/859581915.db2.gz OQYVSBXAJGSYCM-WDSOQIARSA-N 1 3 380.602 3.645 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccsc1 ZINC000483728048 859581924 /nfs/dbraw/zinc/58/19/24/859581924.db2.gz OQYVSBXAJGSYCM-WDSOQIARSA-N 1 3 380.602 3.645 20 0 GHADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484152145 859831068 /nfs/dbraw/zinc/83/10/68/859831068.db2.gz OVNUWXJJFQCVRA-AGILITTLSA-N 1 3 380.532 3.545 20 0 GHADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484152145 859831076 /nfs/dbraw/zinc/83/10/76/859831076.db2.gz OVNUWXJJFQCVRA-AGILITTLSA-N 1 3 380.532 3.545 20 0 GHADHO Cc1ccncc1CCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856561967 881470928 /nfs/dbraw/zinc/47/09/28/881470928.db2.gz ZNMITTNZPYMLSE-QHCPKHFHSA-N 1 3 382.552 3.711 20 0 GHADHO Cc1ccncc1CCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856561967 881470938 /nfs/dbraw/zinc/47/09/38/881470938.db2.gz ZNMITTNZPYMLSE-QHCPKHFHSA-N 1 3 382.552 3.711 20 0 GHADHO COc1cc2c(cc1OC)[C@@H](NCc1ccc(OC3CC[NH+](C)CC3)cc1)CC2 ZINC000284404341 860326880 /nfs/dbraw/zinc/32/68/80/860326880.db2.gz PYHKLVYTRUUWAI-QFIPXVFZSA-N 1 3 396.531 3.954 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3CCC(C(C)(C)C)CC3)CC2)CC1 ZINC000120626647 881643824 /nfs/dbraw/zinc/64/38/24/881643824.db2.gz RCXDLJPJRIIBQT-UHFFFAOYSA-N 1 3 392.632 3.697 20 0 GHADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000482551180 863296432 /nfs/dbraw/zinc/29/64/32/863296432.db2.gz BEOSJUBQUAHZLI-UYAOXDASSA-N 1 3 381.520 3.717 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)[C@@H](C)C1 ZINC000480060638 863929678 /nfs/dbraw/zinc/92/96/78/863929678.db2.gz ATCOKABKFXQAFT-YYWHXJBOSA-N 1 3 381.992 3.669 20 0 GHADHO CCN1CCN(c2cccc(NC3CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000475108247 864186158 /nfs/dbraw/zinc/18/61/58/864186158.db2.gz NHXPQFJQLHKUIH-UHFFFAOYSA-N 1 3 378.564 3.905 20 0 GHADHO Cc1cc(Br)cc2c1[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000494449553 881738412 /nfs/dbraw/zinc/73/84/12/881738412.db2.gz BUGFGVBECPYIQE-CRAIPNDOSA-N 1 3 381.358 3.835 20 0 GHADHO Cc1cc(Br)cc2c1[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000494449553 881738418 /nfs/dbraw/zinc/73/84/18/881738418.db2.gz BUGFGVBECPYIQE-CRAIPNDOSA-N 1 3 381.358 3.835 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000166543774 864743744 /nfs/dbraw/zinc/74/37/44/864743744.db2.gz BRVBPFBLTDVEQB-UPVQGACJSA-N 1 3 391.559 3.860 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000166543774 864743756 /nfs/dbraw/zinc/74/37/56/864743756.db2.gz BRVBPFBLTDVEQB-UPVQGACJSA-N 1 3 391.559 3.860 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000480701075 865135782 /nfs/dbraw/zinc/13/57/82/865135782.db2.gz DSBVIIUZNHMFBP-RUZDIDTESA-N 1 3 393.575 4.000 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000738521127 865550809 /nfs/dbraw/zinc/55/08/09/865550809.db2.gz FOXVEJZQMPBTIN-QFIPXVFZSA-N 1 3 397.538 3.758 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000172431446 865579629 /nfs/dbraw/zinc/57/96/29/865579629.db2.gz QONOEDGBGAWKPO-KRWDZBQOSA-N 1 3 379.976 3.961 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](NCc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000555188834 865660475 /nfs/dbraw/zinc/66/04/75/865660475.db2.gz QFCDFYDJRIRRSY-VXKWHMMOSA-N 1 3 396.531 3.898 20 0 GHADHO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174404818 865768354 /nfs/dbraw/zinc/76/83/54/865768354.db2.gz VJSVXMHMOCMZEE-HSZRJFAPSA-N 1 3 391.559 3.877 20 0 GHADHO C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174404818 865768358 /nfs/dbraw/zinc/76/83/58/865768358.db2.gz VJSVXMHMOCMZEE-HSZRJFAPSA-N 1 3 391.559 3.877 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000481175105 865924621 /nfs/dbraw/zinc/92/46/21/865924621.db2.gz LUVWNKCUOGXMCX-QTEQDKRBSA-N 1 3 391.559 3.855 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)CC1 ZINC000153291230 866329378 /nfs/dbraw/zinc/32/93/78/866329378.db2.gz BQYXYCAIMBFWML-QPPBQGQZSA-N 1 3 395.591 3.863 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CCC(C4CCC4)CC3)CC2)CC1 ZINC000620475618 866786241 /nfs/dbraw/zinc/78/62/41/866786241.db2.gz XQVNPIXPJATIOZ-UHFFFAOYSA-N 1 3 375.601 3.658 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCN1CCc3ccccc3C1)c1ccccc1O2 ZINC000553102384 866804042 /nfs/dbraw/zinc/80/40/42/866804042.db2.gz NOZWLWURQALCDO-QHCPKHFHSA-N 1 3 391.559 3.623 20 0 GHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000553546632 867635654 /nfs/dbraw/zinc/63/56/54/867635654.db2.gz DSUNXDZWLRNCAF-XWGVYQGASA-N 1 3 399.623 3.908 20 0 GHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000553546632 867635666 /nfs/dbraw/zinc/63/56/66/867635666.db2.gz DSUNXDZWLRNCAF-XWGVYQGASA-N 1 3 399.623 3.908 20 0 GHADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479513906 867935364 /nfs/dbraw/zinc/93/53/64/867935364.db2.gz NVXWWLSZMKRYHS-WJXFIBLPSA-N 1 3 389.543 3.703 20 0 GHADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479652231 868308643 /nfs/dbraw/zinc/30/86/43/868308643.db2.gz YBAPBHFJOBMQNT-KCZVDYSFSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479652231 868308653 /nfs/dbraw/zinc/30/86/53/868308653.db2.gz YBAPBHFJOBMQNT-KCZVDYSFSA-N 1 3 386.584 3.603 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000156596337 868410722 /nfs/dbraw/zinc/41/07/22/868410722.db2.gz IVHUKNFUQBAXQJ-ZEQRLZLVSA-N 1 3 391.559 3.875 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000156596337 868410729 /nfs/dbraw/zinc/41/07/29/868410729.db2.gz IVHUKNFUQBAXQJ-ZEQRLZLVSA-N 1 3 391.559 3.875 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000524494457 869150125 /nfs/dbraw/zinc/15/01/25/869150125.db2.gz GLOSTTMVVARCDM-UHFFFAOYSA-N 1 3 388.600 3.723 20 0 GHADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000524494457 869150127 /nfs/dbraw/zinc/15/01/27/869150127.db2.gz GLOSTTMVVARCDM-UHFFFAOYSA-N 1 3 388.600 3.723 20 0 GHADHO C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000446569405 870019331 /nfs/dbraw/zinc/01/93/31/870019331.db2.gz NNQQKQNXGULKHG-OAQYLSRUSA-N 1 3 380.536 3.577 20 0 GHADHO CC[C@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)N1CCc2ccccc2C1 ZINC000446564918 870041550 /nfs/dbraw/zinc/04/15/50/870041550.db2.gz MNXKLINOOMAHCX-JOCHJYFZSA-N 1 3 394.563 3.749 20 0 GHADHO CCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OCC ZINC000248437032 870419953 /nfs/dbraw/zinc/41/99/53/870419953.db2.gz GRACMTHQUPMOAL-PGRDOPGGSA-N 1 3 398.547 3.901 20 0 GHADHO CCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OCC ZINC000248437032 870419961 /nfs/dbraw/zinc/41/99/61/870419961.db2.gz GRACMTHQUPMOAL-PGRDOPGGSA-N 1 3 398.547 3.901 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000525448095 870704682 /nfs/dbraw/zinc/70/46/82/870704682.db2.gz MZQREAKMEYWEJB-REWPJTCUSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000525448095 870704690 /nfs/dbraw/zinc/70/46/90/870704690.db2.gz MZQREAKMEYWEJB-REWPJTCUSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@H](NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000538943550 870948491 /nfs/dbraw/zinc/94/84/91/870948491.db2.gz HSIIVLGQKCHFBX-SFHVURJKSA-N 1 3 398.526 3.636 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CCN1Cc1ccccc1 ZINC000463134448 870979577 /nfs/dbraw/zinc/97/95/77/870979577.db2.gz ZLQKGKYZVYNSMD-OFVILXPXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@@H](NCc2cccc(CN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134448 870979584 /nfs/dbraw/zinc/97/95/84/870979584.db2.gz ZLQKGKYZVYNSMD-OFVILXPXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@@H](NCc2cccc(CN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134448 870979588 /nfs/dbraw/zinc/97/95/88/870979588.db2.gz ZLQKGKYZVYNSMD-OFVILXPXSA-N 1 3 393.575 3.662 20 0 GHADHO Fc1ccc(CCN2CCC([NH2+]CCCN3CCc4ccccc4C3)CC2)cc1 ZINC000463139098 870992394 /nfs/dbraw/zinc/99/23/94/870992394.db2.gz ZMJFUHRMYJYKAR-UHFFFAOYSA-N 1 3 395.566 3.871 20 0 GHADHO COc1cc(OC)cc(OCCCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000090231198 871114480 /nfs/dbraw/zinc/11/44/80/871114480.db2.gz RPPHREATTKOHMN-UHFFFAOYSA-N 1 3 376.541 3.859 20 0 GHADHO COc1cc(OC)cc(OCCC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000090231198 871114504 /nfs/dbraw/zinc/11/45/04/871114504.db2.gz RPPHREATTKOHMN-UHFFFAOYSA-N 1 3 376.541 3.859 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)CC(=O)N(CC1CC1)c1ccccc13)C2 ZINC001169139033 871228307 /nfs/dbraw/zinc/22/83/07/871228307.db2.gz LTDLSOLDJYCTMI-WKCHPHFGSA-N 1 3 393.575 3.792 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)CC(=O)N(CC1CC1)c1ccccc13)C2 ZINC001169139033 871228336 /nfs/dbraw/zinc/22/83/36/871228336.db2.gz LTDLSOLDJYCTMI-WKCHPHFGSA-N 1 3 393.575 3.792 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H](C(C)(C)C)C3)cc2)CC1 ZINC001193807083 871318007 /nfs/dbraw/zinc/31/80/07/871318007.db2.gz HHJXOZWOYWTYMI-IBGZPJMESA-N 1 3 386.584 3.525 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](C(C)(C)C)C3)cc2)CC1 ZINC001193807083 871318036 /nfs/dbraw/zinc/31/80/36/871318036.db2.gz HHJXOZWOYWTYMI-IBGZPJMESA-N 1 3 386.584 3.525 20 0 GHADHO CCN1CCC([NH2+]CC2CCN(Cc3ccccc3Br)CC2)CC1 ZINC001169238861 871335450 /nfs/dbraw/zinc/33/54/50/871335450.db2.gz MQWLWVKQOCMJQE-UHFFFAOYSA-N 1 3 394.401 3.735 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NCCOc1ccc(F)cc1F)c1ccccc1O2 ZINC000540494467 871418259 /nfs/dbraw/zinc/41/82/59/871418259.db2.gz BIAUHLOFGLGTGD-LJQANCHMSA-N 1 3 388.458 3.921 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1O2 ZINC000540494467 871418268 /nfs/dbraw/zinc/41/82/68/871418268.db2.gz BIAUHLOFGLGTGD-LJQANCHMSA-N 1 3 388.458 3.921 20 0 GHADHO CCCN1CCCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508784 871574437 /nfs/dbraw/zinc/57/44/37/871574437.db2.gz RMZGWSYHFMYRSB-OEMFJLHTSA-N 1 3 383.580 3.622 20 0 GHADHO CCCN1CCCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508784 871574453 /nfs/dbraw/zinc/57/44/53/871574453.db2.gz RMZGWSYHFMYRSB-OEMFJLHTSA-N 1 3 383.580 3.622 20 0 GHADHO CN1CCC[C@H]1CC[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001194359023 871636343 /nfs/dbraw/zinc/63/63/43/871636343.db2.gz RPKKEZVQKILMMB-RBUKOAKNSA-N 1 3 379.589 3.828 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1)N(C)C ZINC000539319860 871682503 /nfs/dbraw/zinc/68/25/03/871682503.db2.gz JSPRRVGKIYJIBJ-FGZHOGPDSA-N 1 3 389.584 3.991 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1)N(C)C ZINC000539319860 871682511 /nfs/dbraw/zinc/68/25/11/871682511.db2.gz JSPRRVGKIYJIBJ-FGZHOGPDSA-N 1 3 389.584 3.991 20 0 GHADHO CN1CC[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000533946727 871762123 /nfs/dbraw/zinc/76/21/23/871762123.db2.gz LXYFQSFNHBUURZ-GOTSBHOMSA-N 1 3 398.595 3.729 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CC2CCN(C3CC3)CC2)cc1 ZINC000447562445 871866909 /nfs/dbraw/zinc/86/69/09/871866909.db2.gz CJURPSWFIRALMD-YADHBBJMSA-N 1 3 390.593 3.544 20 0 GHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783673 871876289 /nfs/dbraw/zinc/87/62/89/871876289.db2.gz JTQOQZQHQBJJPJ-VWNXMTODSA-N 1 3 391.559 3.745 20 0 GHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783673 871876307 /nfs/dbraw/zinc/87/63/07/871876307.db2.gz JTQOQZQHQBJJPJ-VWNXMTODSA-N 1 3 391.559 3.745 20 0 GHADHO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926239 872041147 /nfs/dbraw/zinc/04/11/47/872041147.db2.gz ARYZXBVWSGDNMH-QGZVFWFLSA-N 1 3 384.442 3.641 20 0 GHADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002827 872098596 /nfs/dbraw/zinc/09/85/96/872098596.db2.gz UKVUHWAQUCSNEL-TZRRMPRUSA-N 1 3 381.539 3.868 20 0 GHADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002827 872098616 /nfs/dbraw/zinc/09/86/16/872098616.db2.gz UKVUHWAQUCSNEL-TZRRMPRUSA-N 1 3 381.539 3.868 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000477922428 872151484 /nfs/dbraw/zinc/15/14/84/872151484.db2.gz QOBCYDHRGOJTGU-OAHLLOKOSA-N 1 3 381.948 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477922428 872151487 /nfs/dbraw/zinc/15/14/87/872151487.db2.gz QOBCYDHRGOJTGU-OAHLLOKOSA-N 1 3 381.948 3.777 20 0 GHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cccc(CN(C)C)c1 ZINC000122525350 882595702 /nfs/dbraw/zinc/59/57/02/882595702.db2.gz JUEKTTPPOOEILA-RTBURBONSA-N 1 3 379.548 3.635 20 0 GHADHO CCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000122551176 882611959 /nfs/dbraw/zinc/61/19/59/882611959.db2.gz NAPJBLYREBVTCT-CQSZACIVSA-N 1 3 382.346 3.630 20 0 GHADHO O=C1CC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2N1 ZINC000541542759 873801720 /nfs/dbraw/zinc/80/17/20/873801720.db2.gz DLKUVZCBYRYINS-OAQYLSRUSA-N 1 3 379.504 3.724 20 0 GHADHO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541667216 874048452 /nfs/dbraw/zinc/04/84/52/874048452.db2.gz PJJSWVRWXOFVIG-KRWDZBQOSA-N 1 3 381.511 3.699 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCCc3c(Cl)cccc32)c1 ZINC000541742058 874205097 /nfs/dbraw/zinc/20/50/97/874205097.db2.gz QATQXFVQWMMXOD-NRFANRHFSA-N 1 3 385.939 3.799 20 0 GHADHO c1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)n(C2CCCC2)n1 ZINC000449091935 874492812 /nfs/dbraw/zinc/49/28/12/874492812.db2.gz RTSWBQAAESIMCD-UHFFFAOYSA-N 1 3 395.595 3.686 20 0 GHADHO CC(C)[C@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913743 874514445 /nfs/dbraw/zinc/51/44/45/874514445.db2.gz WNWFTYNXYOFKIW-MOPGFXCFSA-N 1 3 383.939 3.709 20 0 GHADHO CC(C)[C@H](NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913743 874514458 /nfs/dbraw/zinc/51/44/58/874514458.db2.gz WNWFTYNXYOFKIW-MOPGFXCFSA-N 1 3 383.939 3.709 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000770327196 874602167 /nfs/dbraw/zinc/60/21/67/874602167.db2.gz RFUVINDFGNNTBT-FYYLOGMGSA-N 1 3 397.563 3.900 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000770327196 874602177 /nfs/dbraw/zinc/60/21/77/874602177.db2.gz RFUVINDFGNNTBT-FYYLOGMGSA-N 1 3 397.563 3.900 20 0 GHADHO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000464841897 874612846 /nfs/dbraw/zinc/61/28/46/874612846.db2.gz YXMOUVQIGPPZFL-NRFANRHFSA-N 1 3 393.531 3.672 20 0 GHADHO CC(=O)c1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000464841897 874612855 /nfs/dbraw/zinc/61/28/55/874612855.db2.gz YXMOUVQIGPPZFL-NRFANRHFSA-N 1 3 393.531 3.672 20 0 GHADHO C[C@@H](CNC(C)(C)CC[NH+]1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449255399 874635589 /nfs/dbraw/zinc/63/55/89/874635589.db2.gz DBDZVCURCCWXMN-SFHVURJKSA-N 1 3 380.598 3.828 20 0 GHADHO O[C@@H](C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)CN1CCCC1 ZINC000776034098 875251979 /nfs/dbraw/zinc/25/19/79/875251979.db2.gz PUIYUBACLUMLMT-YOEHRIQHSA-N 1 3 376.850 3.856 20 0 GHADHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@H+](CC2CCCC2)C3)nc1 ZINC001202159529 876035671 /nfs/dbraw/zinc/03/56/71/876035671.db2.gz DRFQHAXVWVUZSE-VWNXMTODSA-N 1 3 383.580 3.822 20 0 GHADHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](CC2CCCC2)C3)nc1 ZINC001202159529 876035685 /nfs/dbraw/zinc/03/56/85/876035685.db2.gz DRFQHAXVWVUZSE-VWNXMTODSA-N 1 3 383.580 3.822 20 0 GHADHO CC[C@@H](C)[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000303956454 876123386 /nfs/dbraw/zinc/12/33/86/876123386.db2.gz KPUWASCURUHUST-IRLDBZIGSA-N 1 3 385.596 3.883 20 0 GHADHO C[C@@H](c1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450644684 876703696 /nfs/dbraw/zinc/70/36/96/876703696.db2.gz BVEZCSHILAQIOQ-SJORKVTESA-N 1 3 383.502 3.953 20 0 GHADHO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1Cl ZINC000173928629 876728494 /nfs/dbraw/zinc/72/84/94/876728494.db2.gz WKGBLHZZRAVKJZ-AWEZNQCLSA-N 1 3 379.335 3.991 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)ccc1OC ZINC000850502818 876976872 /nfs/dbraw/zinc/97/68/72/876976872.db2.gz RGURCKAAFLRCBQ-VYQWIXSGSA-N 1 3 380.598 3.877 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507210 876980480 /nfs/dbraw/zinc/98/04/80/876980480.db2.gz IEMQFFIASXGKAD-CXAGYDPISA-N 1 3 394.346 3.993 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507210 876980493 /nfs/dbraw/zinc/98/04/93/876980493.db2.gz IEMQFFIASXGKAD-CXAGYDPISA-N 1 3 394.346 3.993 20 0 GHADHO Cc1c([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509647 876981576 /nfs/dbraw/zinc/98/15/76/876981576.db2.gz SJHYMPFREWNTDB-JPYJTQIMSA-N 1 3 390.531 3.598 20 0 GHADHO Cc1c([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509647 876981583 /nfs/dbraw/zinc/98/15/83/876981583.db2.gz SJHYMPFREWNTDB-JPYJTQIMSA-N 1 3 390.531 3.598 20 0 GHADHO O=C(OCc1ccccc1)[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000786967627 877054725 /nfs/dbraw/zinc/05/47/25/877054725.db2.gz LOZADSXPUJBXLQ-DEOSSOPVSA-N 1 3 392.543 3.978 20 0 GHADHO COc1ccc([C@H](C)NCc2ccc(C)n(C)c2=O)cc1C[NH+]1CCCCC1 ZINC000786930465 877062096 /nfs/dbraw/zinc/06/20/96/877062096.db2.gz IZXDMTPHNACCJT-SFHVURJKSA-N 1 3 383.536 3.539 20 0 GHADHO C[C@H](OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134891322 883093336 /nfs/dbraw/zinc/09/33/36/883093336.db2.gz HUANKLFNIVVUDP-PZKPASOESA-N 1 3 392.971 3.727 20 0 GHADHO C[C@H](OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134891322 883093356 /nfs/dbraw/zinc/09/33/56/883093356.db2.gz HUANKLFNIVVUDP-PZKPASOESA-N 1 3 392.971 3.727 20 0 GHADHO COC(=O)Cc1ccccc1CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000787303160 877329157 /nfs/dbraw/zinc/32/91/57/877329157.db2.gz RBRJKRVQFUZNEV-RTBURBONSA-N 1 3 380.532 3.648 20 0 GHADHO CCC(CC)(CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000174891946 877312846 /nfs/dbraw/zinc/31/28/46/877312846.db2.gz LQJWFDKRRCCFSX-PZJWPPBQSA-N 1 3 384.568 3.552 20 0 GHADHO Clc1cccc(N2CCCC2)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249037 877330857 /nfs/dbraw/zinc/33/08/57/877330857.db2.gz STAUOKUUHZJXFA-GOSISDBHSA-N 1 3 377.960 3.531 20 0 GHADHO CCOc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1OCC(C)C ZINC000530248571 877331540 /nfs/dbraw/zinc/33/15/40/877331540.db2.gz MSMLGLZJLRKUKK-OAQYLSRUSA-N 1 3 390.568 3.711 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000642638109 912238411 /nfs/dbraw/zinc/23/84/11/912238411.db2.gz GIDIZPDMSBVTMT-DHIUTWEWSA-N 1 3 394.563 3.643 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000788240281 877939515 /nfs/dbraw/zinc/93/95/15/877939515.db2.gz JHNHFLJSHSDFCR-WTGUMLROSA-N 1 3 397.604 3.691 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000788246874 877948939 /nfs/dbraw/zinc/94/89/39/877948939.db2.gz GJIOIBVPPDWLBH-ZULIPRJHSA-N 1 3 375.557 3.583 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000788246874 877948956 /nfs/dbraw/zinc/94/89/56/877948956.db2.gz GJIOIBVPPDWLBH-ZULIPRJHSA-N 1 3 375.557 3.583 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1ccsc1 ZINC000615672616 877999424 /nfs/dbraw/zinc/99/94/24/877999424.db2.gz CGLDGCCKCIBGRU-FQEVSTJZSA-N 1 3 394.629 3.893 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccsc1 ZINC000615672616 877999431 /nfs/dbraw/zinc/99/94/31/877999431.db2.gz CGLDGCCKCIBGRU-FQEVSTJZSA-N 1 3 394.629 3.893 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3csc4ccccc34)c2)C1 ZINC000237939730 878328611 /nfs/dbraw/zinc/32/86/11/878328611.db2.gz PWAKQNWVWJWMQO-IBGZPJMESA-N 1 3 393.556 3.888 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3csc4ccccc34)c2)C1 ZINC000237939730 878328629 /nfs/dbraw/zinc/32/86/29/878328629.db2.gz PWAKQNWVWJWMQO-IBGZPJMESA-N 1 3 393.556 3.888 20 0 GHADHO Cc1cccn2cc(COc3ccc(C[NH2+]C[C@H]4CCN(C5CC5)C4)cc3)nc12 ZINC000068840068 879089620 /nfs/dbraw/zinc/08/96/20/879089620.db2.gz LQWPYXVRSLWHTM-HXUWFJFHSA-N 1 3 390.531 3.796 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000178693699 879187074 /nfs/dbraw/zinc/18/70/74/879187074.db2.gz SBFQDWUVJCFRGO-HUUCEWRRSA-N 1 3 386.353 3.512 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000616988214 879290290 /nfs/dbraw/zinc/29/02/90/879290290.db2.gz LCPCLNJTIWSIBY-UHFFFAOYSA-N 1 3 398.378 3.806 20 0 GHADHO CC(C)c1ccc(CN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C(C)C)c1 ZINC000643085343 912454079 /nfs/dbraw/zinc/45/40/79/912454079.db2.gz MZKDIIQNLJPXPH-GOTSBHOMSA-N 1 3 398.595 3.654 20 0 GHADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000246410576 879536829 /nfs/dbraw/zinc/53/68/29/879536829.db2.gz BEPYVWMZJCGQIG-HMXCVIKNSA-N 1 3 388.577 3.611 20 0 GHADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000246410576 879536838 /nfs/dbraw/zinc/53/68/38/879536838.db2.gz BEPYVWMZJCGQIG-HMXCVIKNSA-N 1 3 388.577 3.611 20 0 GHADHO C[C@H](OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503612 879629447 /nfs/dbraw/zinc/62/94/47/879629447.db2.gz HUANKLFNIVVUDP-FBRLZHCOSA-N 1 3 392.971 3.727 20 0 GHADHO C[C@H](OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503612 879629457 /nfs/dbraw/zinc/62/94/57/879629457.db2.gz HUANKLFNIVVUDP-FBRLZHCOSA-N 1 3 392.971 3.727 20 0 GHADHO C[NH+]1CCC(CNC(=O)Nc2csc3ccccc23)(N2CCCCC2)CC1 ZINC000493963917 879781272 /nfs/dbraw/zinc/78/12/72/879781272.db2.gz ADGNFEYRFOYGJH-UHFFFAOYSA-N 1 3 386.565 3.973 20 0 GHADHO C[C@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140379 879814607 /nfs/dbraw/zinc/81/46/07/879814607.db2.gz XSBVHFDJMGIHRX-NAMDQGSHSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140379 879814625 /nfs/dbraw/zinc/81/46/25/879814625.db2.gz XSBVHFDJMGIHRX-NAMDQGSHSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H]1[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CCN1Cc1ccccc1 ZINC000494027652 879839212 /nfs/dbraw/zinc/83/92/12/879839212.db2.gz NNIVYYUZQVFALT-CVDCTZTESA-N 1 3 377.532 3.675 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000247073652 879909359 /nfs/dbraw/zinc/90/93/59/879909359.db2.gz OKGUIHNCLIQQMA-KNKQGSTJSA-N 1 3 387.568 3.601 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)[C@H](C)C1 ZINC000247129648 879924863 /nfs/dbraw/zinc/92/48/63/879924863.db2.gz ARLKAQDNAWXVSY-PWHSHALESA-N 1 3 384.568 3.968 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494188180 880004291 /nfs/dbraw/zinc/00/42/91/880004291.db2.gz HQSQOKGXUFDNCF-SJORKVTESA-N 1 3 387.749 3.570 20 0 GHADHO CSc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)cc1Cl ZINC000617506486 880010808 /nfs/dbraw/zinc/01/08/08/880010808.db2.gz PEEILZFDLUWWAF-LBPRGKRZSA-N 1 3 392.396 3.717 20 0 GHADHO CSc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)cc1Cl ZINC000617506486 880010818 /nfs/dbraw/zinc/01/08/18/880010818.db2.gz PEEILZFDLUWWAF-LBPRGKRZSA-N 1 3 392.396 3.717 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)Cc3cnn(C4CCC4)c3)cc2)C[C@H](C)O1 ZINC001183491533 912545410 /nfs/dbraw/zinc/54/54/10/912545410.db2.gz RNQUQKWRHQVPHF-KDURUIRLSA-N 1 3 382.552 3.849 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccc(CN(C)Cc3cnn(C4CCC4)c3)cc2)C[C@H](C)O1 ZINC001183491533 912545458 /nfs/dbraw/zinc/54/54/58/912545458.db2.gz RNQUQKWRHQVPHF-KDURUIRLSA-N 1 3 382.552 3.849 20 0 GHADHO C[C@@H]1CN(Cc2ccc(C[N@H+](C)Cc3cnn(C4CCC4)c3)cc2)C[C@H](C)O1 ZINC001183491533 912545474 /nfs/dbraw/zinc/54/54/74/912545474.db2.gz RNQUQKWRHQVPHF-KDURUIRLSA-N 1 3 382.552 3.849 20 0 GHADHO C[C@@H]1CN(Cc2ccc(C[N@@H+](C)Cc3cnn(C4CCC4)c3)cc2)C[C@H](C)O1 ZINC001183491533 912545493 /nfs/dbraw/zinc/54/54/93/912545493.db2.gz RNQUQKWRHQVPHF-KDURUIRLSA-N 1 3 382.552 3.849 20 0 GHADHO COCCC[NH+]1CCC(N[C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453083389 880439183 /nfs/dbraw/zinc/43/91/83/880439183.db2.gz CVNKSYBTJSRBAJ-NHCUHLMSSA-N 1 3 380.960 3.521 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000185805924 880699339 /nfs/dbraw/zinc/69/93/39/880699339.db2.gz ONSDOILDDKOVJV-JOCHJYFZSA-N 1 3 380.536 3.780 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000185805924 880699345 /nfs/dbraw/zinc/69/93/45/880699345.db2.gz ONSDOILDDKOVJV-JOCHJYFZSA-N 1 3 380.536 3.780 20 0 GHADHO CC(C)[C@@H](CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl)[NH+]1CCCC1 ZINC000531947231 880804481 /nfs/dbraw/zinc/80/44/81/880804481.db2.gz MYYNALILOBNSSO-YLJYHZDGSA-N 1 3 379.976 3.787 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(N4CCOCC4)CCCCC3)CC2)C1 ZINC000531947947 880807735 /nfs/dbraw/zinc/80/77/35/880807735.db2.gz SGBZOKGPXFDKKX-IFMALSPDSA-N 1 3 377.617 3.654 20 0 GHADHO CN1CCCC[C@@H]1CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792328297 881050471 /nfs/dbraw/zinc/05/04/71/881050471.db2.gz ZOSLYKJLHNDZNB-LJQANCHMSA-N 1 3 379.589 3.974 20 0 GHADHO CN1CCCC[C@H]1CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792328295 881051184 /nfs/dbraw/zinc/05/11/84/881051184.db2.gz ZOSLYKJLHNDZNB-IBGZPJMESA-N 1 3 379.589 3.974 20 0 GHADHO Clc1cccnc1N1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000119949252 881224660 /nfs/dbraw/zinc/22/46/60/881224660.db2.gz CGGLBQNDGLQXFV-FQEVSTJZSA-N 1 3 384.955 3.610 20 0 GHADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000565421864 883265063 /nfs/dbraw/zinc/26/50/63/883265063.db2.gz JVWWOGYZWSPBHT-YYWHXJBOSA-N 1 3 382.552 3.873 20 0 GHADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(C2CC2)c1 ZINC000551141037 883374963 /nfs/dbraw/zinc/37/49/63/883374963.db2.gz FCWNMZCMPXMUTH-JPYJTQIMSA-N 1 3 379.548 3.504 20 0 GHADHO CC1(C)C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C(C)(C)O1 ZINC000551263751 883572334 /nfs/dbraw/zinc/57/23/34/883572334.db2.gz DNWWROCANQGSAR-LEWJYISDSA-N 1 3 386.580 3.851 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000551270612 883582435 /nfs/dbraw/zinc/58/24/35/883582435.db2.gz FWQLOHJRLREQJO-HSZRJFAPSA-N 1 3 384.520 3.516 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000551270612 883582452 /nfs/dbraw/zinc/58/24/52/883582452.db2.gz FWQLOHJRLREQJO-HSZRJFAPSA-N 1 3 384.520 3.516 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000227280774 883990803 /nfs/dbraw/zinc/99/08/03/883990803.db2.gz NBFUQXFKODWLRC-BJKOFHAPSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000227280774 883990810 /nfs/dbraw/zinc/99/08/10/883990810.db2.gz NBFUQXFKODWLRC-BJKOFHAPSA-N 1 3 391.559 3.852 20 0 GHADHO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234417 884187519 /nfs/dbraw/zinc/18/75/19/884187519.db2.gz XHSWYPSASNELNG-GBXCKJPGSA-N 1 3 394.559 3.758 20 0 GHADHO C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234417 884187527 /nfs/dbraw/zinc/18/75/27/884187527.db2.gz XHSWYPSASNELNG-GBXCKJPGSA-N 1 3 394.559 3.758 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234417 884187531 /nfs/dbraw/zinc/18/75/31/884187531.db2.gz XHSWYPSASNELNG-GBXCKJPGSA-N 1 3 394.559 3.758 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)cc1CN1CCCCC1 ZINC000806179862 884461409 /nfs/dbraw/zinc/46/14/09/884461409.db2.gz XAHUEPDECJNFCY-AVRDEDQJSA-N 1 3 383.536 3.503 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000460349090 884932208 /nfs/dbraw/zinc/93/22/08/884932208.db2.gz QRNCCFWRBDEDAI-CYGODWOOSA-N 1 3 399.966 3.702 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C[C@H](C)O1 ZINC000623424921 885379960 /nfs/dbraw/zinc/37/99/60/885379960.db2.gz KRERXNUVSNZIIE-GASCZTMLSA-N 1 3 392.437 3.746 20 0 GHADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000302980919 885409530 /nfs/dbraw/zinc/40/95/30/885409530.db2.gz JOYGFFMJTVTPQZ-ZSYWTGECSA-N 1 3 392.613 3.551 20 0 GHADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000302980919 885409541 /nfs/dbraw/zinc/40/95/41/885409541.db2.gz JOYGFFMJTVTPQZ-ZSYWTGECSA-N 1 3 392.613 3.551 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)N(C)C)cc1 ZINC000303075529 885448896 /nfs/dbraw/zinc/44/88/96/885448896.db2.gz QXUZAFZLJPOZCM-XZOQPEGZSA-N 1 3 394.563 3.734 20 0 GHADHO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000612407643 886093974 /nfs/dbraw/zinc/09/39/74/886093974.db2.gz WJITZGUMIPNKSE-TZIWHRDSSA-N 1 3 396.531 3.801 20 0 GHADHO Cc1ccc(OC[C@@H](O)CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530889 913345285 /nfs/dbraw/zinc/34/52/85/913345285.db2.gz RRBGGXSTNCRGNZ-PKTZIBPZSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(OC[C@@H](O)CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530889 913345292 /nfs/dbraw/zinc/34/52/92/913345292.db2.gz RRBGGXSTNCRGNZ-PKTZIBPZSA-N 1 3 382.548 3.545 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000532988658 889471890 /nfs/dbraw/zinc/47/18/90/889471890.db2.gz SIZZFOLRAQBDGT-PBHICJAKSA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000532988658 889471898 /nfs/dbraw/zinc/47/18/98/889471898.db2.gz SIZZFOLRAQBDGT-PBHICJAKSA-N 1 3 382.346 3.582 20 0 GHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@@]23CC[NH2+][C@H]2COCC3)cc1 ZINC001170681664 890765015 /nfs/dbraw/zinc/76/50/15/890765015.db2.gz UHCZJVLZFXIOKL-OWSXEPHWSA-N 1 3 388.515 3.579 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000533547967 890821705 /nfs/dbraw/zinc/82/17/05/890821705.db2.gz JPOQUTKVPTVHKR-AQNXPRMDSA-N 1 3 397.563 3.694 20 0 GHADHO Cc1ccsc1[C@@H](Cc1ccccc1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128121156 891427383 /nfs/dbraw/zinc/42/73/83/891427383.db2.gz FAYFEJXAZXTYGC-VQTJNVASSA-N 1 3 385.577 3.517 20 0 GHADHO Cc1ccsc1[C@@H](Cc1ccccc1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128121156 891427391 /nfs/dbraw/zinc/42/73/91/891427391.db2.gz FAYFEJXAZXTYGC-VQTJNVASSA-N 1 3 385.577 3.517 20 0 GHADHO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cccc(-n4cc(CN)nn4)c3)oc21 ZINC000873244072 891545380 /nfs/dbraw/zinc/54/53/80/891545380.db2.gz PVYONWQXWMPZHB-HNNXBMFYSA-N 1 3 391.475 3.722 20 0 GHADHO CC[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccccc1OC(F)F ZINC000873247648 891548356 /nfs/dbraw/zinc/54/83/56/891548356.db2.gz RFAOSYPJRXIGQV-GOSISDBHSA-N 1 3 387.434 3.568 20 0 GHADHO C[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(C(F)(F)F)cc1 ZINC000873247516 891548727 /nfs/dbraw/zinc/54/87/27/891548727.db2.gz OUJXCGSFEPZHOL-ZDUSSCGKSA-N 1 3 375.398 3.596 20 0 GHADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000611626157 892278925 /nfs/dbraw/zinc/27/89/25/892278925.db2.gz ZMVZFHTUQLPVAV-QHCPKHFHSA-N 1 3 394.563 3.515 20 0 GHADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000611626157 892278935 /nfs/dbraw/zinc/27/89/35/892278935.db2.gz ZMVZFHTUQLPVAV-QHCPKHFHSA-N 1 3 394.563 3.515 20 0 GHADHO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508695120 892654299 /nfs/dbraw/zinc/65/42/99/892654299.db2.gz HMXLEAKZKBIXGI-SJLPKXTDSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508695120 892654303 /nfs/dbraw/zinc/65/43/03/892654303.db2.gz HMXLEAKZKBIXGI-SJLPKXTDSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508695120 892654308 /nfs/dbraw/zinc/65/43/08/892654308.db2.gz HMXLEAKZKBIXGI-SJLPKXTDSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508695116 892654435 /nfs/dbraw/zinc/65/44/35/892654435.db2.gz HMXLEAKZKBIXGI-AEFFLSMTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1ccc(C(F)(F)F)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508695116 892654443 /nfs/dbraw/zinc/65/44/43/892654443.db2.gz HMXLEAKZKBIXGI-AEFFLSMTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1ccc(C(F)(F)F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508695116 892654449 /nfs/dbraw/zinc/65/44/49/892654449.db2.gz HMXLEAKZKBIXGI-AEFFLSMTSA-N 1 3 393.453 3.979 20 0 GHADHO COc1cc(OC)cc(OCC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000508703034 892747509 /nfs/dbraw/zinc/74/75/09/892747509.db2.gz XCMVETCHRKRBCC-AZUAARDMSA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508703034 892747517 /nfs/dbraw/zinc/74/75/17/892747517.db2.gz XCMVETCHRKRBCC-AZUAARDMSA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508703034 892747526 /nfs/dbraw/zinc/74/75/26/892747526.db2.gz XCMVETCHRKRBCC-AZUAARDMSA-N 1 3 384.520 3.583 20 0 GHADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000508709216 892801909 /nfs/dbraw/zinc/80/19/09/892801909.db2.gz GQOPFFKNXBISKH-ZFGGDYGUSA-N 1 3 377.576 3.933 20 0 GHADHO CCN1CCCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000428689652 893243336 /nfs/dbraw/zinc/24/33/36/893243336.db2.gz CONTXZGROYBXGA-UHFFFAOYSA-N 1 3 386.584 3.688 20 0 GHADHO CCN1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000428689652 893243351 /nfs/dbraw/zinc/24/33/51/893243351.db2.gz CONTXZGROYBXGA-UHFFFAOYSA-N 1 3 386.584 3.688 20 0 GHADHO OCC[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000459467073 893584139 /nfs/dbraw/zinc/58/41/39/893584139.db2.gz PYFQGEBLPBAZCM-IBGZPJMESA-N 1 3 390.325 3.526 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc(Cl)n1 ZINC000877450387 893614679 /nfs/dbraw/zinc/61/46/79/893614679.db2.gz GKNZUJCTQGLZQC-KFKAGJAMSA-N 1 3 392.975 3.580 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643975 893675384 /nfs/dbraw/zinc/67/53/84/893675384.db2.gz BSHXBKAEEXXWSP-UIFIKXQLSA-N 1 3 388.939 3.722 20 0 GHADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379643975 893675396 /nfs/dbraw/zinc/67/53/96/893675396.db2.gz BSHXBKAEEXXWSP-UIFIKXQLSA-N 1 3 388.939 3.722 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379659036 893716922 /nfs/dbraw/zinc/71/69/22/893716922.db2.gz YFJDDJRLKAGMHN-MISYRCLQSA-N 1 3 388.939 3.722 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379659036 893716931 /nfs/dbraw/zinc/71/69/31/893716931.db2.gz YFJDDJRLKAGMHN-MISYRCLQSA-N 1 3 388.939 3.722 20 0 GHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000536999635 894204401 /nfs/dbraw/zinc/20/44/01/894204401.db2.gz VNKBAXLHMNJVID-HXUWFJFHSA-N 1 3 397.485 3.689 20 0 GHADHO CC[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049291 894267125 /nfs/dbraw/zinc/26/71/25/894267125.db2.gz APUCWSPPXXSERG-CTNGQTDRSA-N 1 3 387.568 3.603 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857992 894542201 /nfs/dbraw/zinc/54/22/01/894542201.db2.gz SGHKWIXDQQKJRK-NWDGAFQWSA-N 1 3 377.838 3.808 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC(C)C)c(C)c3)CC2)CC1 ZINC000564736150 895214731 /nfs/dbraw/zinc/21/47/31/895214731.db2.gz ILMGXOHBAUADOC-UHFFFAOYSA-N 1 3 387.568 3.917 20 0 GHADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000564915227 895309525 /nfs/dbraw/zinc/30/95/25/895309525.db2.gz GPBBLZVXYQICIM-VWLOTQADSA-N 1 3 399.538 3.918 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3c(Cl)cccc3Cl)CC2)CC1 ZINC000565178456 895444237 /nfs/dbraw/zinc/44/42/37/895444237.db2.gz QQIVZAXVCIDMAD-UHFFFAOYSA-N 1 3 398.378 3.806 20 0 GHADHO CC(C)(O)[C@H]1CCN(Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](C(C)(C)O)C3)c2)C1 ZINC000880148658 895541294 /nfs/dbraw/zinc/54/12/94/895541294.db2.gz IWQKWLGSZQELHC-OALUTQOASA-N 1 3 394.987 3.526 20 0 GHADHO CC(C)(O)[C@H]1CCN(Cc2cc(Cl)cc(C[N@H+]3CC[C@H](C(C)(C)O)C3)c2)C1 ZINC000880148658 895541304 /nfs/dbraw/zinc/54/13/04/895541304.db2.gz IWQKWLGSZQELHC-OALUTQOASA-N 1 3 394.987 3.526 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000566230177 896192246 /nfs/dbraw/zinc/19/22/46/896192246.db2.gz PCZWBSIKOPGCEP-QUCCMNQESA-N 1 3 376.447 3.769 20 0 GHADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000819015145 896349170 /nfs/dbraw/zinc/34/91/70/896349170.db2.gz DSJFPNXUAQBSHO-DYESRHJHSA-N 1 3 376.903 3.667 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000819329722 896573545 /nfs/dbraw/zinc/57/35/45/896573545.db2.gz WGAKZPYEVJDCCI-GLCCWIKHSA-N 1 3 398.522 3.741 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000819329722 896573558 /nfs/dbraw/zinc/57/35/58/896573558.db2.gz WGAKZPYEVJDCCI-GLCCWIKHSA-N 1 3 398.522 3.741 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000567581713 897269681 /nfs/dbraw/zinc/26/96/81/897269681.db2.gz NCNCHTDTTYVXKH-BUUDZMLXSA-N 1 3 394.559 3.536 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H]3CCCCN3C(C)C)C2)s1 ZINC000568045583 897555702 /nfs/dbraw/zinc/55/57/02/897555702.db2.gz FTJUPTLWQPLVSW-ICSRJNTNSA-N 1 3 377.598 3.600 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H]3CCCCN3C(C)C)C2)s1 ZINC000568045583 897555711 /nfs/dbraw/zinc/55/57/11/897555711.db2.gz FTJUPTLWQPLVSW-ICSRJNTNSA-N 1 3 377.598 3.600 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000568624561 897992518 /nfs/dbraw/zinc/99/25/18/897992518.db2.gz OWPMXWQPESQEIH-MBSDFSHPSA-N 1 3 377.532 3.564 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000568624561 897992525 /nfs/dbraw/zinc/99/25/25/897992525.db2.gz OWPMXWQPESQEIH-MBSDFSHPSA-N 1 3 377.532 3.564 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3/C=C/c3ccccc3)CC2)CC1 ZINC000569824565 898970408 /nfs/dbraw/zinc/97/04/08/898970408.db2.gz UVKREFRYTLPMAQ-LTDXDOBXSA-N 1 3 395.591 3.887 20 0 GHADHO Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929678 899029151 /nfs/dbraw/zinc/02/91/51/899029151.db2.gz UYEAXKFCAOELRR-VDGAXYAQSA-N 1 3 389.902 3.597 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000570520443 899356916 /nfs/dbraw/zinc/35/69/16/899356916.db2.gz YGUQHRCPTXLJOQ-IBGZPJMESA-N 1 3 375.582 3.780 20 0 GHADHO CCOc1cccc(Cl)c1CN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000570814234 899610283 /nfs/dbraw/zinc/61/02/83/899610283.db2.gz NWWIKJAENBTSIU-UHFFFAOYSA-N 1 3 379.976 3.731 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000574034053 900753694 /nfs/dbraw/zinc/75/36/94/900753694.db2.gz XDEOYTAVSXWJDW-NNMXDRDESA-N 1 3 388.577 3.777 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000574034053 900753698 /nfs/dbraw/zinc/75/36/98/900753698.db2.gz XDEOYTAVSXWJDW-NNMXDRDESA-N 1 3 388.577 3.777 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844505625 900952121 /nfs/dbraw/zinc/95/21/21/900952121.db2.gz CPSARZIFHXEOLP-LKCYJCQHSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844505625 900952134 /nfs/dbraw/zinc/95/21/34/900952134.db2.gz CPSARZIFHXEOLP-LKCYJCQHSA-N 1 3 396.453 3.877 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)COCc1cccs1 ZINC000576100395 901682279 /nfs/dbraw/zinc/68/22/79/901682279.db2.gz LUSQFOGZZWGYBE-GHTZIAJQSA-N 1 3 388.577 3.790 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](O)COCc1cccs1 ZINC000576100395 901682285 /nfs/dbraw/zinc/68/22/85/901682285.db2.gz LUSQFOGZZWGYBE-GHTZIAJQSA-N 1 3 388.577 3.790 20 0 GHADHO C[S@](=O)Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000576179501 901762728 /nfs/dbraw/zinc/76/27/28/901762728.db2.gz MXXURZMZQNRHNU-PVIBPIFHSA-N 1 3 396.600 3.955 20 0 GHADHO C[S@](=O)Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000576179501 901762739 /nfs/dbraw/zinc/76/27/39/901762739.db2.gz MXXURZMZQNRHNU-PVIBPIFHSA-N 1 3 396.600 3.955 20 0 GHADHO Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000576703105 902203692 /nfs/dbraw/zinc/20/36/92/902203692.db2.gz APZVXDKBWVGYFZ-UWVAXJGDSA-N 1 3 378.944 3.719 20 0 GHADHO C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000577059839 902475616 /nfs/dbraw/zinc/47/56/16/902475616.db2.gz AVMSFSXXASWRKK-SFHVURJKSA-N 1 3 390.597 3.823 20 0 GHADHO C[C@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000845953409 902527884 /nfs/dbraw/zinc/52/78/84/902527884.db2.gz HUFUAGCYJYFMSF-BMHOQUIDSA-N 1 3 379.589 3.922 20 0 GHADHO CC[NH+]1CCC(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC1 ZINC000779002576 902692562 /nfs/dbraw/zinc/69/25/62/902692562.db2.gz HPTWPZPPBGYFDT-RTWAWAEBSA-N 1 3 387.568 3.854 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@@H]3CCC(C)C)CC2)CC1 ZINC000577767134 903168520 /nfs/dbraw/zinc/16/85/20/903168520.db2.gz SYJKZNPFBUNFSI-DENIHFKCSA-N 1 3 377.617 3.904 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)NCc1cn(-c2ccccc2Br)nn1 ZINC000577786920 903191976 /nfs/dbraw/zinc/19/19/76/903191976.db2.gz TZHHHEKTOLTHCC-OAHLLOKOSA-N 1 3 394.361 3.630 20 0 GHADHO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000133185333 903354205 /nfs/dbraw/zinc/35/42/05/903354205.db2.gz JTDNAKBREOUAQM-LIRRHRJNSA-N 1 3 384.442 3.663 20 0 GHADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000579574320 904714423 /nfs/dbraw/zinc/71/44/23/904714423.db2.gz TWQHBVZEYDVHFW-AZUAARDMSA-N 1 3 375.900 3.713 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631637 904853410 /nfs/dbraw/zinc/85/34/10/904853410.db2.gz LIMOJYDFJDKAAJ-FUHWJXTLSA-N 1 3 379.589 3.969 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631637 904853420 /nfs/dbraw/zinc/85/34/20/904853420.db2.gz LIMOJYDFJDKAAJ-FUHWJXTLSA-N 1 3 379.589 3.969 20 0 GHADHO Cc1ccc(CC[C@H](C)N2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)cc1 ZINC001171675679 904917290 /nfs/dbraw/zinc/91/72/90/904917290.db2.gz TUCZLRYHMDXVCQ-FQEVSTJZSA-N 1 3 385.596 3.581 20 0 GHADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CN1Cc1ccccc1 ZINC001171742305 905030263 /nfs/dbraw/zinc/03/02/63/905030263.db2.gz WXZSWUAYHGQMKA-RDPSFJRHSA-N 1 3 378.564 3.546 20 0 GHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171988163 905250196 /nfs/dbraw/zinc/25/01/96/905250196.db2.gz BQPJBCCEAQRFSR-MJGOQNOKSA-N 1 3 380.374 3.880 20 0 GHADHO COc1ccc(C[C@H](CO)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172072906 905277754 /nfs/dbraw/zinc/27/77/54/905277754.db2.gz NWKALNYFPKUVOQ-YCAMKHIRSA-N 1 3 394.559 3.774 20 0 GHADHO COc1ccc(C[C@H](CO)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172072906 905277772 /nfs/dbraw/zinc/27/77/72/905277772.db2.gz NWKALNYFPKUVOQ-YCAMKHIRSA-N 1 3 394.559 3.774 20 0 GHADHO Cc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cn12 ZINC001172068393 905338148 /nfs/dbraw/zinc/33/81/48/905338148.db2.gz KJZYZXJYFXCCTN-KOUNCHBCSA-N 1 3 375.520 3.713 20 0 GHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(c3ncn4cc(Br)ccc34)C1)C2 ZINC001172128606 905340013 /nfs/dbraw/zinc/34/00/13/905340013.db2.gz SQZMWAWQQNFHCS-FVQHAEBGSA-N 1 3 389.341 3.511 20 0 GHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(c3ncn4cc(Br)ccc34)C1)C2 ZINC001172128606 905340031 /nfs/dbraw/zinc/34/00/31/905340031.db2.gz SQZMWAWQQNFHCS-FVQHAEBGSA-N 1 3 389.341 3.511 20 0 GHADHO COc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)ccc1OCC1CCOCC1 ZINC001172109080 905356787 /nfs/dbraw/zinc/35/67/87/905356787.db2.gz BXUTXUUUAQJKNG-WKCHPHFGSA-N 1 3 388.552 3.606 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@H]3COc3ccccn3)CC1)C2 ZINC001172118307 905376803 /nfs/dbraw/zinc/37/68/03/905376803.db2.gz VAGMCPQXCZKQRT-KJJMTIBFSA-N 1 3 399.579 3.594 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]21 ZINC001172123312 905385261 /nfs/dbraw/zinc/38/52/61/905385261.db2.gz ZNDUINNQBYODKM-HJGHSPLBSA-N 1 3 382.596 3.629 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]21 ZINC001172123312 905385274 /nfs/dbraw/zinc/38/52/74/905385274.db2.gz ZNDUINNQBYODKM-HJGHSPLBSA-N 1 3 382.596 3.629 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@@H]2C1 ZINC001172536185 905640020 /nfs/dbraw/zinc/64/00/20/905640020.db2.gz MGKGABZWVXHRDP-NLPWIYRPSA-N 1 3 395.591 3.591 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@@H]2C1 ZINC001172536185 905640022 /nfs/dbraw/zinc/64/00/22/905640022.db2.gz MGKGABZWVXHRDP-NLPWIYRPSA-N 1 3 395.591 3.591 20 0 GHADHO COC(=O)[C@H]1CCC[C@H](N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172611610 905670228 /nfs/dbraw/zinc/67/02/28/905670228.db2.gz ZVMFCJOYCBHPPG-WMZOPIPTSA-N 1 3 398.469 3.773 20 0 GHADHO CN(C)Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)c(F)c1 ZINC000627747028 905739625 /nfs/dbraw/zinc/73/96/25/905739625.db2.gz JYBZRBQLNFLPRD-LEWJYISDSA-N 1 3 395.522 3.984 20 0 GHADHO CN(C)Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)c(F)c1 ZINC000627747028 905739635 /nfs/dbraw/zinc/73/96/35/905739635.db2.gz JYBZRBQLNFLPRD-LEWJYISDSA-N 1 3 395.522 3.984 20 0 GHADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc2ccccc2c1 ZINC000177629846 906183870 /nfs/dbraw/zinc/18/38/70/906183870.db2.gz OCQOZWSGRCQDOP-SFHVURJKSA-N 1 3 379.548 3.618 20 0 GHADHO CC[NH+](CC)C1CCC(N2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC001173109027 906194555 /nfs/dbraw/zinc/19/45/55/906194555.db2.gz VTCLJCQJMZUCMP-UHFFFAOYSA-N 1 3 395.389 3.619 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173345088 906386036 /nfs/dbraw/zinc/38/60/36/906386036.db2.gz QXJVMLBGCLGRIS-OAQYLSRUSA-N 1 3 385.596 3.704 20 0 GHADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173345088 906386042 /nfs/dbraw/zinc/38/60/42/906386042.db2.gz QXJVMLBGCLGRIS-OAQYLSRUSA-N 1 3 385.596 3.704 20 0 GHADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173768917 906688617 /nfs/dbraw/zinc/68/86/17/906688617.db2.gz HTZCKUIDXDYZOZ-MRXNPFEDSA-N 1 3 395.950 3.938 20 0 GHADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCCn2ccnc2)CC1 ZINC000182977762 907305656 /nfs/dbraw/zinc/30/56/56/907305656.db2.gz ZVFSZXLVRKPEMS-UHFFFAOYSA-N 1 3 380.458 3.888 20 0 GHADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCCn2ccnc2)CC1 ZINC000182977762 907305673 /nfs/dbraw/zinc/30/56/73/907305673.db2.gz ZVFSZXLVRKPEMS-UHFFFAOYSA-N 1 3 380.458 3.888 20 0 GHADHO CCC[N@@H+]1CCc2c(N)sc(Nc3ccc(N4CCN(CC)CC4)cc3)c2C1 ZINC001175780808 907742411 /nfs/dbraw/zinc/74/24/11/907742411.db2.gz AYJAQQFCQFDOFA-UHFFFAOYSA-N 1 3 399.608 3.984 20 0 GHADHO CCC[N@H+]1CCc2c(N)sc(Nc3ccc(N4CCN(CC)CC4)cc3)c2C1 ZINC001175780808 907742420 /nfs/dbraw/zinc/74/24/20/907742420.db2.gz AYJAQQFCQFDOFA-UHFFFAOYSA-N 1 3 399.608 3.984 20 0 GHADHO C[C@@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000631769513 907838053 /nfs/dbraw/zinc/83/80/53/907838053.db2.gz SKEFZDJBCBZQLQ-LQWHRVPQSA-N 1 3 392.609 3.826 20 0 GHADHO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001176366152 908080890 /nfs/dbraw/zinc/08/08/90/908080890.db2.gz XXMNUYLQMJJWAM-UEVCKROQSA-N 1 3 379.548 3.674 20 0 GHADHO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001176366152 908080896 /nfs/dbraw/zinc/08/08/96/908080896.db2.gz XXMNUYLQMJJWAM-UEVCKROQSA-N 1 3 379.548 3.674 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCCS2 ZINC000188037362 908169752 /nfs/dbraw/zinc/16/97/52/908169752.db2.gz ATKVGKLTGKNZHH-OXJNMPFZSA-N 1 3 376.566 3.713 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCS2 ZINC000188445847 908213262 /nfs/dbraw/zinc/21/32/62/908213262.db2.gz JPZQDYBYFLZYOS-SIKLNZKXSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCS2 ZINC000188445847 908213273 /nfs/dbraw/zinc/21/32/73/908213273.db2.gz JPZQDYBYFLZYOS-SIKLNZKXSA-N 1 3 398.572 3.979 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000189955455 908391593 /nfs/dbraw/zinc/39/15/93/908391593.db2.gz IWHVNRCDBNSPNZ-OALUTQOASA-N 1 3 379.548 3.635 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4cc(C(C)(C)C)ccc43)CC2)CC1 ZINC000195467594 909011254 /nfs/dbraw/zinc/01/12/54/909011254.db2.gz GTKLJNRFQZDBIN-UHFFFAOYSA-N 1 3 398.595 3.615 20 0 GHADHO Cc1nn(-c2ccccn2)c(Cl)c1CNCCC1CC[NH+](C(C)C)CC1 ZINC001179278333 909468204 /nfs/dbraw/zinc/46/82/04/909468204.db2.gz UYIWNJGWKWMDBF-UHFFFAOYSA-N 1 3 375.948 3.829 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(C(F)F)nc1 ZINC000638136895 910061104 /nfs/dbraw/zinc/06/11/04/910061104.db2.gz OXFZFUORYXJGLD-UHFFFAOYSA-N 1 3 380.527 3.647 20 0 GHADHO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028243 910207486 /nfs/dbraw/zinc/20/74/86/910207486.db2.gz HTWVLVBHNXVGEO-QGZVFWFLSA-N 1 3 377.598 3.522 20 0 GHADHO c1ccc(C(CN2CC[C@@]3(C2)CCCOC3)C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000639633399 910577289 /nfs/dbraw/zinc/57/72/89/910577289.db2.gz YRSGVVOWGJAAOC-JWQCQUIFSA-N 1 3 398.591 3.775 20 0 GHADHO c1ccc(C(CN2CC[C@@]3(C2)CCCOC3)C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000639633399 910577295 /nfs/dbraw/zinc/57/72/95/910577295.db2.gz YRSGVVOWGJAAOC-JWQCQUIFSA-N 1 3 398.591 3.775 20 0 GHADHO CC(C)N1CCN(C2CC[NH+]([C@@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000270940480 910735843 /nfs/dbraw/zinc/73/58/43/910735843.db2.gz RJAXXCYWFDSHMH-KRWDZBQOSA-N 1 3 381.511 3.839 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)CC1 ZINC000271214708 910820662 /nfs/dbraw/zinc/82/06/62/910820662.db2.gz MYLRPWPDJUAWTM-UHFFFAOYSA-N 1 3 378.564 3.739 20 0 GHADHO COc1ccc2[nH]cc(C3=CC[N@H+](CCCN4CCN(C(C)C)CC4)CC3)c2c1 ZINC000283214634 911418635 /nfs/dbraw/zinc/41/86/35/911418635.db2.gz HKCSLYXPQNEERH-UHFFFAOYSA-N 1 3 396.579 3.682 20 0 GHADHO COc1ccc2[nH]cc(C3=CC[N@@H+](CCCN4CCN(C(C)C)CC4)CC3)c2c1 ZINC000283214634 911418653 /nfs/dbraw/zinc/41/86/53/911418653.db2.gz HKCSLYXPQNEERH-UHFFFAOYSA-N 1 3 396.579 3.682 20 0 GHADHO Cc1ccc(-c2nn(C)cc2CNCc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC000647179345 915071051 /nfs/dbraw/zinc/07/10/51/915071051.db2.gz RYGDVMWAGRJSFJ-UHFFFAOYSA-N 1 3 382.508 3.609 20 0 GHADHO COc1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c(SC)cc1OC ZINC000647248795 915105652 /nfs/dbraw/zinc/10/56/52/915105652.db2.gz FPXOLSYHWMMLIS-MOPGFXCFSA-N 1 3 386.561 3.861 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776967 915858770 /nfs/dbraw/zinc/85/87/70/915858770.db2.gz RFFMIGAAPHSTGN-CTNGQTDRSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776967 915858788 /nfs/dbraw/zinc/85/87/88/915858788.db2.gz RFFMIGAAPHSTGN-CTNGQTDRSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776971 915860186 /nfs/dbraw/zinc/86/01/86/915860186.db2.gz RFFMIGAAPHSTGN-TZIWHRDSSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776971 915860196 /nfs/dbraw/zinc/86/01/96/915860196.db2.gz RFFMIGAAPHSTGN-TZIWHRDSSA-N 1 3 386.923 3.910 20 0 GHADHO C[NH+](C)CCCOc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000649722607 916359139 /nfs/dbraw/zinc/35/91/39/916359139.db2.gz QKHUHRBGAWCCMO-SJORKVTESA-N 1 3 388.430 3.703 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)CCC(=O)N2C ZINC000775309836 916897303 /nfs/dbraw/zinc/89/73/03/916897303.db2.gz GIYWADXYMABCEJ-XMSQKQJNSA-N 1 3 377.532 3.596 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)CCC(=O)N2C ZINC000775309836 916897310 /nfs/dbraw/zinc/89/73/10/916897310.db2.gz GIYWADXYMABCEJ-XMSQKQJNSA-N 1 3 377.532 3.596 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)ccc1OC ZINC000775368664 917183324 /nfs/dbraw/zinc/18/33/24/917183324.db2.gz DGBOTNLWTKLPJY-SFHVURJKSA-N 1 3 384.568 3.963 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1CN1CCCCC1 ZINC000775369875 917229423 /nfs/dbraw/zinc/22/94/23/917229423.db2.gz BCDMCEQZLZGPLR-VGSWGCGISA-N 1 3 394.563 3.988 20 0 GHADHO CCOc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1OCC(C)C ZINC000650721919 917250968 /nfs/dbraw/zinc/25/09/68/917250968.db2.gz FUPUUPXVNWEDJA-VWPQPMDRSA-N 1 3 390.568 3.981 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1CN1CCCCC1 ZINC000775387069 917328512 /nfs/dbraw/zinc/32/85/12/917328512.db2.gz VZHLTZDYDNXDOZ-XXBNENTESA-N 1 3 382.548 3.935 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)cc1CN1CCCCC1 ZINC000775406172 917517152 /nfs/dbraw/zinc/51/71/52/917517152.db2.gz GSDCNAMKYXPVHQ-QGZVFWFLSA-N 1 3 375.557 3.637 20 0 GHADHO C[NH+]1CCC(Nc2ccccc2NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)CC1 ZINC000651234189 917536534 /nfs/dbraw/zinc/53/65/34/917536534.db2.gz PVQLBNFLEIFSPY-HOTGVXAUSA-N 1 3 399.457 3.879 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000902504370 922244435 /nfs/dbraw/zinc/24/44/35/922244435.db2.gz OJWQOIYOTAOKQO-CODAWKSHSA-N 1 3 393.531 3.866 20 0 GHADHO O=C(CCN1CC[NH2+]CCC12CCOCC2)Nc1ccccc1-c1ccccc1 ZINC000903814667 923310620 /nfs/dbraw/zinc/31/06/20/923310620.db2.gz GGKAKTSSOIBKPQ-UHFFFAOYSA-N 1 3 393.531 3.527 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]C[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000676901458 924138341 /nfs/dbraw/zinc/13/83/41/924138341.db2.gz ZITNLCAOEYFRRP-HSZRJFAPSA-N 1 3 393.575 3.740 20 0 GHADHO COc1cc(Cl)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000677150807 924261167 /nfs/dbraw/zinc/26/11/67/924261167.db2.gz SYOMBNFZQDUXBS-OKILXGFUSA-N 1 3 375.340 3.981 20 0 GHADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1OCCc2ccccc21 ZINC000678211880 924666037 /nfs/dbraw/zinc/66/60/37/924666037.db2.gz NXAKWVATXKOMSO-XMMPIXPASA-N 1 3 380.532 3.907 20 0 GHADHO C[C@@H](CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678638838 924859611 /nfs/dbraw/zinc/85/96/11/924859611.db2.gz YHHVAEOPNBOHGT-HTUFRPJOSA-N 1 3 392.628 3.900 20 0 GHADHO C[C@@H](CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678638838 924859621 /nfs/dbraw/zinc/85/96/21/924859621.db2.gz YHHVAEOPNBOHGT-HTUFRPJOSA-N 1 3 392.628 3.900 20 0 GHADHO C[C@H](CN1CCC[C@@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638838 924859626 /nfs/dbraw/zinc/85/96/26/924859626.db2.gz YHHVAEOPNBOHGT-HTUFRPJOSA-N 1 3 392.628 3.900 20 0 GHADHO C[C@H](CN1CCC[C@@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638838 924859630 /nfs/dbraw/zinc/85/96/30/924859630.db2.gz YHHVAEOPNBOHGT-HTUFRPJOSA-N 1 3 392.628 3.900 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000679290814 925087504 /nfs/dbraw/zinc/08/75/04/925087504.db2.gz PJPUILWYYTYDBH-AVRDEDQJSA-N 1 3 377.532 3.579 20 0 GHADHO CC(C)c1ccccc1OC[C@@H](O)CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372573844 925548152 /nfs/dbraw/zinc/54/81/52/925548152.db2.gz MXSOOMCAUFNCRY-HFMPRLQTSA-N 1 3 397.563 3.570 20 0 GHADHO CC(C)c1ccccc1OC[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372573844 925548160 /nfs/dbraw/zinc/54/81/60/925548160.db2.gz MXSOOMCAUFNCRY-HFMPRLQTSA-N 1 3 397.563 3.570 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411521137 926483484 /nfs/dbraw/zinc/48/34/84/926483484.db2.gz XZDGYXBOYBWNDO-CVEARBPZSA-N 1 3 393.959 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411521137 926483492 /nfs/dbraw/zinc/48/34/92/926483492.db2.gz XZDGYXBOYBWNDO-CVEARBPZSA-N 1 3 393.959 3.920 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000749587292 927204114 /nfs/dbraw/zinc/20/41/14/927204114.db2.gz HENFLHZGKNIVQR-HFSMHLIXSA-N 1 3 387.568 3.585 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000749587292 927204121 /nfs/dbraw/zinc/20/41/21/927204121.db2.gz HENFLHZGKNIVQR-HFSMHLIXSA-N 1 3 387.568 3.585 20 0 GHADHO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000753547765 929406727 /nfs/dbraw/zinc/40/67/27/929406727.db2.gz VRLSSJIQAQIKAP-UZLBHIALSA-N 1 3 399.539 3.701 20 0 GHADHO C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000470236059 930475405 /nfs/dbraw/zinc/47/54/05/930475405.db2.gz CLZXGZXDSNXSAN-RDPSFJRHSA-N 1 3 397.607 3.520 20 0 GHADHO C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000470236059 930475411 /nfs/dbraw/zinc/47/54/11/930475411.db2.gz CLZXGZXDSNXSAN-RDPSFJRHSA-N 1 3 397.607 3.520 20 0 GHADHO C[C@@H]1CN(Cc2cccc(CN3C[C@H](C)O[C@@H](C4CC4)C3)c2)C[C@H](C2CC2)O1 ZINC000470922780 931035601 /nfs/dbraw/zinc/03/56/01/931035601.db2.gz GSCMPNQJUJLJJF-GRJZNYKUSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1CN(Cc2cccc(C[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)c2)C[C@H](C2CC2)O1 ZINC000470922780 931035618 /nfs/dbraw/zinc/03/56/18/931035618.db2.gz GSCMPNQJUJLJJF-GRJZNYKUSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1CN(Cc2cccc(C[N@H+]3C[C@H](C)O[C@@H](C4CC4)C3)c2)C[C@H](C2CC2)O1 ZINC000470922780 931035636 /nfs/dbraw/zinc/03/56/36/931035636.db2.gz GSCMPNQJUJLJJF-GRJZNYKUSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2cccc(CN3C[C@H](C)O[C@@H](C4CC4)C3)c2)C[C@H](C2CC2)O1 ZINC000470922780 931035645 /nfs/dbraw/zinc/03/56/45/931035645.db2.gz GSCMPNQJUJLJJF-GRJZNYKUSA-N 1 3 384.564 3.685 20 0 GHADHO C[C@@H]1C[N@H+](Cc2cccc(CN3C[C@H](C)O[C@@H](C4CC4)C3)c2)C[C@H](C2CC2)O1 ZINC000470922780 931035654 /nfs/dbraw/zinc/03/56/54/931035654.db2.gz GSCMPNQJUJLJJF-GRJZNYKUSA-N 1 3 384.564 3.685 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1)C(C)C ZINC000557203219 931270933 /nfs/dbraw/zinc/27/09/33/931270933.db2.gz HNJUWKBSMDOQRR-HSZRJFAPSA-N 1 3 397.563 3.958 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1)C(C)C ZINC000557203219 931270945 /nfs/dbraw/zinc/27/09/45/931270945.db2.gz HNJUWKBSMDOQRR-HSZRJFAPSA-N 1 3 397.563 3.958 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)CC2)CC1 ZINC000557634524 931585762 /nfs/dbraw/zinc/58/57/62/931585762.db2.gz HXTMCPVWLVNNCC-GHTZIAJQSA-N 1 3 387.568 3.776 20 0 GHADHO C[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cn2c(n1)CCCC2 ZINC000925222114 931708089 /nfs/dbraw/zinc/70/80/89/931708089.db2.gz NXSCJTSOTHGSMI-HXUWFJFHSA-N 1 3 396.579 3.941 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000558731870 932198956 /nfs/dbraw/zinc/19/89/56/932198956.db2.gz JJESJJASDGGVOE-HSZRJFAPSA-N 1 3 382.548 3.606 20 0 GHADHO Cc1cccc([C@@H](NCC2CC[NH+](C3CCOCC3)CC2)c2ccccn2)c1 ZINC000926679615 932270352 /nfs/dbraw/zinc/27/03/52/932270352.db2.gz YLRUBHFYLVTFIN-XMMPIXPASA-N 1 3 379.548 3.960 20 0 GHADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H]3CCCc4c(Cl)ccnc43)C2)[C@@H]1C(C)C ZINC000926880855 932334904 /nfs/dbraw/zinc/33/49/04/932334904.db2.gz QFYZYLDOCGXAGH-SOMHSPELSA-N 1 3 377.960 3.572 20 0 GHADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H]3CCCc4c(Cl)ccnc43)C2)[C@@H]1C(C)C ZINC000926880855 932334912 /nfs/dbraw/zinc/33/49/12/932334912.db2.gz QFYZYLDOCGXAGH-SOMHSPELSA-N 1 3 377.960 3.572 20 0 GHADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H]3CCCc4c(Cl)ccnc43)C2)[C@H]1C(C)C ZINC000926880856 932335039 /nfs/dbraw/zinc/33/50/39/932335039.db2.gz QFYZYLDOCGXAGH-VLFNSIGCSA-N 1 3 377.960 3.572 20 0 GHADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H]3CCCc4c(Cl)ccnc43)C2)[C@H]1C(C)C ZINC000926880856 932335050 /nfs/dbraw/zinc/33/50/50/932335050.db2.gz QFYZYLDOCGXAGH-VLFNSIGCSA-N 1 3 377.960 3.572 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000559244786 932545605 /nfs/dbraw/zinc/54/56/05/932545605.db2.gz XUEMDHVKWAIPGN-GOSISDBHSA-N 1 3 379.976 3.921 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000559244786 932545614 /nfs/dbraw/zinc/54/56/14/932545614.db2.gz XUEMDHVKWAIPGN-GOSISDBHSA-N 1 3 379.976 3.921 20 0 GHADHO CC[NH+](CC)C[C@@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799123738 932881944 /nfs/dbraw/zinc/88/19/44/932881944.db2.gz GCTMZMWDZADEAN-QFIPXVFZSA-N 1 3 387.568 3.699 20 0 GHADHO CCN(CC)C[C@@H]1CC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799123738 932881948 /nfs/dbraw/zinc/88/19/48/932881948.db2.gz GCTMZMWDZADEAN-QFIPXVFZSA-N 1 3 387.568 3.699 20 0 GHADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799123738 932881953 /nfs/dbraw/zinc/88/19/53/932881953.db2.gz GCTMZMWDZADEAN-QFIPXVFZSA-N 1 3 387.568 3.699 20 0 GHADHO C[C@H](NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000799177814 932898212 /nfs/dbraw/zinc/89/82/12/932898212.db2.gz FNOMQCOFWCUCQP-IBGZPJMESA-N 1 3 379.548 3.825 20 0 GHADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799177119 932898533 /nfs/dbraw/zinc/89/85/33/932898533.db2.gz LRJXRIZTQDMSBJ-QFIPXVFZSA-N 1 3 399.579 3.557 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](CN1CCC2(CNC(=O)C2)CC1)c1ccccc1 ZINC000929762410 933620463 /nfs/dbraw/zinc/62/04/63/933620463.db2.gz ILNTUDLJLLFBOT-HSZRJFAPSA-N 1 3 391.559 3.504 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](CN1CCC2(CNC(=O)C2)CC1)c1ccccc1 ZINC000929762410 933620468 /nfs/dbraw/zinc/62/04/68/933620468.db2.gz ILNTUDLJLLFBOT-HSZRJFAPSA-N 1 3 391.559 3.504 20 0 GHADHO CC(C)C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000561159012 933925052 /nfs/dbraw/zinc/92/50/52/933925052.db2.gz MNZUERQTFUCAIL-HXUWFJFHSA-N 1 3 377.960 3.760 20 0 GHADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](N)CC3CCCCC3)cc2F)CC1 ZINC000828609226 935675377 /nfs/dbraw/zinc/67/53/77/935675377.db2.gz KZWUUKPOGCUBCB-HXUWFJFHSA-N 1 3 390.547 3.592 20 0 GHADHO N[C@H](CC(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1Cl ZINC001220743821 1032095756 /nfs/dbraw/zinc/09/57/56/1032095756.db2.gz RDMFMLIYSJXOOT-GOSISDBHSA-N 1 3 393.318 3.564 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccccc1C1CC[NH2+]CC1 ZINC001221062896 1032261435 /nfs/dbraw/zinc/26/14/35/1032261435.db2.gz FASJPIRTSZOFQG-NRFANRHFSA-N 1 3 377.532 3.548 20 0 GHADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC001221064754 1032262232 /nfs/dbraw/zinc/26/22/32/1032262232.db2.gz QJCAWEWHVJMRFG-AJSBUHFISA-N 1 3 394.563 3.642 20 0 GHADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1SC(C)(C)C ZINC000925851234 1017161501 /nfs/dbraw/zinc/16/15/01/1017161501.db2.gz QTHWQYFHQSPXNN-HZPDHXFCSA-N 1 3 376.566 3.913 20 0 GHADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1SC(C)(C)C ZINC000925851233 1017161566 /nfs/dbraw/zinc/16/15/66/1017161566.db2.gz QTHWQYFHQSPXNN-HOTGVXAUSA-N 1 3 376.566 3.913 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000568502306 1019414223 /nfs/dbraw/zinc/41/42/23/1019414223.db2.gz PLTFXEYLOVIZJN-NQIIRXRSSA-N 1 3 393.531 3.723 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)NCCC1CC[NH+](C(C)C)CC1)c1ccco1 ZINC001228189312 1032830805 /nfs/dbraw/zinc/83/08/05/1032830805.db2.gz HMWKBZWDCJDRRM-MJGOQNOKSA-N 1 3 378.561 3.519 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NCCC1CC[NH+](C(C)C)CC1)c1ccco1 ZINC001228189313 1032831562 /nfs/dbraw/zinc/83/15/62/1032831562.db2.gz HMWKBZWDCJDRRM-PKOBYXMFSA-N 1 3 378.561 3.519 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000678131419 1021907452 /nfs/dbraw/zinc/90/74/52/1021907452.db2.gz RTRCWLVQUWQPOO-UHFFFAOYSA-N 1 3 376.504 3.793 20 0 GHADHO CC(CN1CC[C@@H](Cc2ccncc2)C1)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680888967 1022242462 /nfs/dbraw/zinc/24/24/62/1022242462.db2.gz MMZSOLWFGVGETN-ZEQRLZLVSA-N 1 3 378.564 3.542 20 0 GHADHO CC(CN1CC[C@@H](Cc2ccncc2)C1)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680888967 1022242471 /nfs/dbraw/zinc/24/24/71/1022242471.db2.gz MMZSOLWFGVGETN-ZEQRLZLVSA-N 1 3 378.564 3.542 20 0 GHADHO Cc1cc(C[NH+]2CCC(N3CCN(C)CC3)CC2)ccc1OCc1ccccc1 ZINC001141253054 1024295156 /nfs/dbraw/zinc/29/51/56/1024295156.db2.gz KLILESOSXXINKZ-UHFFFAOYSA-N 1 3 393.575 3.786 20 0 GHADHO c1ccc(N2CCCCC2)c(CN2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001138606140 1025093171 /nfs/dbraw/zinc/09/31/71/1025093171.db2.gz IGSYNBFNAITNSY-GOTSBHOMSA-N 1 3 376.548 3.636 20 0 GHADHO Cc1cc(CN2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)ccc1F ZINC001205180323 1033286947 /nfs/dbraw/zinc/28/69/47/1033286947.db2.gz KVVLSEYXLKAVCZ-YMPZKCBVSA-N 1 3 390.543 3.614 20 0 GHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001141557405 1025533052 /nfs/dbraw/zinc/53/30/52/1025533052.db2.gz FXHMQXSJSHZTLT-RPWUZVMVSA-N 1 3 391.559 3.647 20 0 GHADHO CCCn1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001139038907 1025816611 /nfs/dbraw/zinc/81/66/11/1025816611.db2.gz MRGWGLFEWVEEII-JOCHJYFZSA-N 1 3 382.552 3.549 20 0 GHADHO CCCn1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001139038907 1025816631 /nfs/dbraw/zinc/81/66/31/1025816631.db2.gz MRGWGLFEWVEEII-JOCHJYFZSA-N 1 3 382.552 3.549 20 0 GHADHO CC(C)COc1cc(Br)cc(NCC2(N(C)C)CC[NH+](C)CC2)c1 ZINC001164216794 1026455389 /nfs/dbraw/zinc/45/53/89/1026455389.db2.gz LEFVCHNXPCFATQ-UHFFFAOYSA-N 1 3 398.389 3.922 20 0 GHADHO Clc1ccc(OC2CCN(Cc3ccccc3N3CC[NH2+]CC3)CC2)cc1 ZINC001209894455 1027265171 /nfs/dbraw/zinc/26/51/71/1027265171.db2.gz GIHZCXRABYPHQD-UHFFFAOYSA-N 1 3 385.939 3.793 20 0 GHADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1cccc(F)c1)CC2 ZINC001203784491 1027603042 /nfs/dbraw/zinc/60/30/42/1027603042.db2.gz DGVUCKUOUBLVHE-JOCHJYFZSA-N 1 3 390.543 3.555 20 0 GHADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1cccc(F)c1)CC2 ZINC001203784491 1027603046 /nfs/dbraw/zinc/60/30/46/1027603046.db2.gz DGVUCKUOUBLVHE-JOCHJYFZSA-N 1 3 390.543 3.555 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001461286434 1069481619 /nfs/dbraw/zinc/48/16/19/1069481619.db2.gz PDLGAIFLEZIMMI-ROUUACIJSA-N 1 3 375.520 3.718 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001461286430 1069481682 /nfs/dbraw/zinc/48/16/82/1069481682.db2.gz PDLGAIFLEZIMMI-CYGODWOOSA-N 1 3 375.520 3.718 20 0 GHADHO CCCN1CCC([NH2+]C[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000840948818 1027979593 /nfs/dbraw/zinc/97/95/93/1027979593.db2.gz ZYQPPEYECIWMDM-OAQYLSRUSA-N 1 3 387.568 3.985 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cc1CN1CCCCC1 ZINC000841764316 1028920635 /nfs/dbraw/zinc/92/06/35/1028920635.db2.gz GPCMKOTVYLXUSJ-QFBILLFUSA-N 1 3 381.511 3.671 20 0 GHADHO COc1ccc([C@@H](CN)C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000842471809 1029313310 /nfs/dbraw/zinc/31/33/10/1029313310.db2.gz BBVIVVPRRADXQC-SIKLNZKXSA-N 1 3 388.939 3.837 20 0 GHADHO CN1CCC(NC(=S)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000843281265 1029884613 /nfs/dbraw/zinc/88/46/13/1029884613.db2.gz MCRUEZRVSHFECK-UHFFFAOYSA-N 1 3 392.638 3.645 20 0 GHADHO C[C@H]1CC[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426571 1029997746 /nfs/dbraw/zinc/99/77/46/1029997746.db2.gz AIHAHSCNVRTDKG-NRDMVMEKSA-N 1 3 387.568 3.709 20 0 GHADHO C[C@H]1CC[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426571 1029997753 /nfs/dbraw/zinc/99/77/53/1029997753.db2.gz AIHAHSCNVRTDKG-NRDMVMEKSA-N 1 3 387.568 3.709 20 0 GHADHO CCOc1cc(CN2CCC3(CC2)C[NH2+]CCO3)ccc1OCc1ccccc1 ZINC001222209138 1030005655 /nfs/dbraw/zinc/00/56/55/1030005655.db2.gz XJMQGTLHZDNJRF-UHFFFAOYSA-N 1 3 396.531 3.619 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@@H+]2CCCc2cccnc2)cc1 ZINC001222575252 1030205083 /nfs/dbraw/zinc/20/50/83/1030205083.db2.gz LWODKKSUOVSNKL-HSZRJFAPSA-N 1 3 379.548 3.818 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@H+]2CCCc2cccnc2)cc1 ZINC001222575252 1030205097 /nfs/dbraw/zinc/20/50/97/1030205097.db2.gz LWODKKSUOVSNKL-HSZRJFAPSA-N 1 3 379.548 3.818 20 0 GHADHO COc1ccc(-c2ccncc2)c(C[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222615440 1030239023 /nfs/dbraw/zinc/23/90/23/1030239023.db2.gz PZGAGQZLRVCLQI-XMMPIXPASA-N 1 3 385.511 3.946 20 0 GHADHO COc1ccc(-c2ccncc2)c(C[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222615440 1030239041 /nfs/dbraw/zinc/23/90/41/1030239041.db2.gz PZGAGQZLRVCLQI-XMMPIXPASA-N 1 3 385.511 3.946 20 0 GHADHO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001218859487 1031121026 /nfs/dbraw/zinc/12/10/26/1031121026.db2.gz AXYNTDLNCMQQKH-KRWDZBQOSA-N 1 3 399.535 3.521 20 0 GHADHO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1c(Cl)cc2c(c1Cl)CCNC2 ZINC001218997825 1031201919 /nfs/dbraw/zinc/20/19/19/1031201919.db2.gz HPWZHEDPWSFCPS-CYBMUJFWSA-N 1 3 390.314 3.968 20 0 GHADHO CN1Cc2c(NC(=O)Cc3ccc(CC[NH3+])cc3)cccc2[C@H](c2ccccc2)C1 ZINC001219046801 1031227976 /nfs/dbraw/zinc/22/79/76/1031227976.db2.gz JDDKVIAYAUBSCA-QHCPKHFHSA-N 1 3 399.538 3.946 20 0 GHADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](N)Cc2ccc(-c3ccccc3)cc2)c1 ZINC001219943778 1031709268 /nfs/dbraw/zinc/70/92/68/1031709268.db2.gz YTKBSBJYBUBBSB-DEOSSOPVSA-N 1 3 387.527 3.601 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220062306 1031761238 /nfs/dbraw/zinc/76/12/38/1031761238.db2.gz UKVLIHFHPNNSOU-AUSIDOKSSA-N 1 3 379.548 3.604 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220062306 1031761254 /nfs/dbraw/zinc/76/12/54/1031761254.db2.gz UKVLIHFHPNNSOU-AUSIDOKSSA-N 1 3 379.548 3.604 20 0 GHADHO C[N@H+](Cc1ccc(F)cc1)C1CCN(c2ncccc2CN2CCCC2)CC1 ZINC001157082975 1033404498 /nfs/dbraw/zinc/40/44/98/1033404498.db2.gz HOQHUSYCEYZALF-UHFFFAOYSA-N 1 3 382.527 3.917 20 0 GHADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2ncccc2CN2CCCC2)CC1 ZINC001157082975 1033404508 /nfs/dbraw/zinc/40/45/08/1033404508.db2.gz HOQHUSYCEYZALF-UHFFFAOYSA-N 1 3 382.527 3.917 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)CC[NH+]2CCCCC2)N(C)C)cc1 ZINC001229620932 1033598436 /nfs/dbraw/zinc/59/84/36/1033598436.db2.gz MSSCTDTYYFSUKY-QFIPXVFZSA-N 1 3 388.600 3.615 20 0 GHADHO CCOc1cc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)ccc1OCCCOC ZINC001206590457 1033918205 /nfs/dbraw/zinc/91/82/05/1033918205.db2.gz MGPQQZLOXJXDNO-FQEVSTJZSA-N 1 3 378.557 3.853 20 0 GHADHO COc1cc(Br)c2cc(CN(C(C)C)[C@H]3CCC[NH2+]CC3)[nH]c2n1 ZINC001206598104 1033919028 /nfs/dbraw/zinc/91/90/28/1033919028.db2.gz HWXKHVGLLBZFEA-AWEZNQCLSA-N 1 3 395.345 3.687 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cnc(C)n4C)CC3)CC2)c1 ZINC001206792584 1033985238 /nfs/dbraw/zinc/98/52/38/1033985238.db2.gz LAROSLYHDOHLIJ-UHFFFAOYSA-N 1 3 382.552 3.615 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1c(F)cncc1F)CC2 ZINC001206859189 1034039794 /nfs/dbraw/zinc/03/97/94/1034039794.db2.gz ZUEJUXUEJSWWLV-OAHLLOKOSA-N 1 3 393.503 3.677 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1c(F)cncc1F)CC2 ZINC001206859189 1034039813 /nfs/dbraw/zinc/03/98/13/1034039813.db2.gz ZUEJUXUEJSWWLV-OAHLLOKOSA-N 1 3 393.503 3.677 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cncc(F)c1)CC2 ZINC001207021310 1034058523 /nfs/dbraw/zinc/05/85/23/1034058523.db2.gz WLGXZZUVSJGNOW-SFHVURJKSA-N 1 3 375.513 3.538 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cncc(F)c1)CC2 ZINC001207021310 1034058543 /nfs/dbraw/zinc/05/85/43/1034058543.db2.gz WLGXZZUVSJGNOW-SFHVURJKSA-N 1 3 375.513 3.538 20 0 GHADHO CN1CCC(N(c2nc(Cl)cc3c(Cl)ccnc32)C2CC[NH2+]CC2)CC1 ZINC001158581427 1034166056 /nfs/dbraw/zinc/16/60/56/1034166056.db2.gz SQCRQAIDWOLPKK-UHFFFAOYSA-N 1 3 394.350 3.589 20 0 GHADHO Fc1cccc(CN2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001207291506 1034242249 /nfs/dbraw/zinc/24/22/49/1034242249.db2.gz QPNOWSQBXRCCFU-UHFFFAOYSA-N 1 3 381.539 3.856 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3sc4scc(C)c4c3C)CC[C@@H]2C1 ZINC001231829236 1034933153 /nfs/dbraw/zinc/93/31/53/1034933153.db2.gz NFUQTNWLQFCBDO-IAGOWNOFSA-N 1 3 394.606 3.749 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3sc4scc(C)c4c3C)CC[C@@H]2C1 ZINC001231829236 1034933159 /nfs/dbraw/zinc/93/31/59/1034933159.db2.gz NFUQTNWLQFCBDO-IAGOWNOFSA-N 1 3 394.606 3.749 20 0 GHADHO C[N@@H+]1CCC[C@H](CN2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606821 1034951941 /nfs/dbraw/zinc/95/19/41/1034951941.db2.gz HEHURWZWJQJILT-PZJWPPBQSA-N 1 3 399.579 3.665 20 0 GHADHO C[N@H+]1CCC[C@H](CN2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606821 1034951945 /nfs/dbraw/zinc/95/19/45/1034951945.db2.gz HEHURWZWJQJILT-PZJWPPBQSA-N 1 3 399.579 3.665 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cccc3c1OCCO3)CC2 ZINC001231883965 1034966620 /nfs/dbraw/zinc/96/66/20/1034966620.db2.gz TZGRBSKLOJCICU-UHFFFAOYSA-N 1 3 393.531 3.729 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cccc3c1OCCO3)CC2 ZINC001231883965 1034966621 /nfs/dbraw/zinc/96/66/21/1034966621.db2.gz TZGRBSKLOJCICU-UHFFFAOYSA-N 1 3 393.531 3.729 20 0 GHADHO N[C@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC001160460713 1034981523 /nfs/dbraw/zinc/98/15/23/1034981523.db2.gz DKAATHIPJAKARI-WMLDXEAASA-N 1 3 384.351 3.860 20 0 GHADHO COc1ccc(CC[N@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001208751506 1034998482 /nfs/dbraw/zinc/99/84/82/1034998482.db2.gz FNCGLSAFHLHMCS-SZPZYZBQSA-N 1 3 380.532 3.619 20 0 GHADHO COc1ccc(CC[N@@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001208751506 1034998487 /nfs/dbraw/zinc/99/84/87/1034998487.db2.gz FNCGLSAFHLHMCS-SZPZYZBQSA-N 1 3 380.532 3.619 20 0 GHADHO C[C@H]1COCCN1CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208814426 1035035635 /nfs/dbraw/zinc/03/56/35/1035035635.db2.gz FHWJGDAJJLQTKL-SFHVURJKSA-N 1 3 388.552 3.575 20 0 GHADHO COC(=O)N1CCC2(CC1)CC[NH+](C[C@@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC001208930352 1035094646 /nfs/dbraw/zinc/09/46/46/1035094646.db2.gz AEJORXYEOTVJHX-QFIPXVFZSA-N 1 3 399.579 3.843 20 0 GHADHO CCCCN(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001160923022 1035094999 /nfs/dbraw/zinc/09/49/99/1035094999.db2.gz YCBKBDCYZIXOFR-HNAYVOBHSA-N 1 3 399.501 3.592 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001232146131 1035124071 /nfs/dbraw/zinc/12/40/71/1035124071.db2.gz JAPMCKAHMSOWDE-RTBURBONSA-N 1 3 391.531 3.576 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001232146131 1035124080 /nfs/dbraw/zinc/12/40/80/1035124080.db2.gz JAPMCKAHMSOWDE-RTBURBONSA-N 1 3 391.531 3.576 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208951583 1035124304 /nfs/dbraw/zinc/12/43/04/1035124304.db2.gz DDZWNTVISAZQFE-YUMYIRISSA-N 1 3 399.579 3.744 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1CN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208951583 1035124309 /nfs/dbraw/zinc/12/43/09/1035124309.db2.gz DDZWNTVISAZQFE-YUMYIRISSA-N 1 3 399.579 3.744 20 0 GHADHO O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208965066 1035133261 /nfs/dbraw/zinc/13/32/61/1035133261.db2.gz WMFHTAOIBANXFG-UNMCSNQZSA-N 1 3 390.531 3.631 20 0 GHADHO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208965066 1035133265 /nfs/dbraw/zinc/13/32/65/1035133265.db2.gz WMFHTAOIBANXFG-UNMCSNQZSA-N 1 3 390.531 3.631 20 0 GHADHO CN(CCN(C)C(=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC001161161139 1035163204 /nfs/dbraw/zinc/16/32/04/1035163204.db2.gz OTCKMTFMWHXXKE-IBGZPJMESA-N 1 3 393.453 3.686 20 0 GHADHO [NH3+]C1(C(=O)N2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)CCCC1 ZINC001161420006 1035226979 /nfs/dbraw/zinc/22/69/79/1035226979.db2.gz CAWHEGALTYVVNR-UHFFFAOYSA-N 1 3 389.543 3.582 20 0 GHADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001161429795 1035228798 /nfs/dbraw/zinc/22/87/98/1035228798.db2.gz YINWHNAOXKUTLT-HSZRJFAPSA-N 1 3 393.575 3.635 20 0 GHADHO CCOC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3c[nH]c4ccc(C)cc34)CC2)C1 ZINC001209490648 1035290941 /nfs/dbraw/zinc/29/09/41/1035290941.db2.gz CPTMEHBZQKIZNF-GOSISDBHSA-N 1 3 383.536 3.716 20 0 GHADHO Cn1nc2ccccc2c1CN1C[C@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209537894 1035308593 /nfs/dbraw/zinc/30/85/93/1035308593.db2.gz ZCJZOJZMIJEGGW-JMUQELJHSA-N 1 3 389.547 3.701 20 0 GHADHO Cn1nc2ccccc2c1CN1C[C@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209537894 1035308597 /nfs/dbraw/zinc/30/85/97/1035308597.db2.gz ZCJZOJZMIJEGGW-JMUQELJHSA-N 1 3 389.547 3.701 20 0 GHADHO Clc1cnc2[nH]cc(CN3CCC(COCC[NH+]4CCCC4)CC3)c2c1 ZINC001209592443 1035321371 /nfs/dbraw/zinc/32/13/71/1035321371.db2.gz JYZTZRDFZHAESW-UHFFFAOYSA-N 1 3 376.932 3.541 20 0 GHADHO CCOC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001461988805 1069931074 /nfs/dbraw/zinc/93/10/74/1069931074.db2.gz LBQWDLKJRFHJAV-NVFTXBOLSA-N 1 3 384.564 3.999 20 0 GHADHO Fc1cccc(CN2CCC([NH2+][C@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246174895 1037223852 /nfs/dbraw/zinc/22/38/52/1037223852.db2.gz KDHMAJJEJWVXEB-ZEQRLZLVSA-N 1 3 381.539 3.743 20 0 GHADHO COc1ccc(CC2(N[C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246374594 1037330069 /nfs/dbraw/zinc/33/00/69/1037330069.db2.gz FQDQDFPHDSYIEX-NFBKMPQASA-N 1 3 393.575 3.613 20 0 GHADHO COc1ccccc1C1(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246375570 1037331964 /nfs/dbraw/zinc/33/19/64/1037331964.db2.gz IMIFEXLYZVRHPV-PZJWPPBQSA-N 1 3 379.548 3.527 20 0 GHADHO COc1ccc(CC2([NH2+][C@@H]3CCc4c(F)cc(F)cc4C3)CCNCC2)cc1 ZINC001246377775 1037333889 /nfs/dbraw/zinc/33/38/89/1037333889.db2.gz LRYRFPRTRRSZSD-LJQANCHMSA-N 1 3 386.486 3.785 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H](NC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246392875 1037351723 /nfs/dbraw/zinc/35/17/23/1037351723.db2.gz PFOCXTSAKPIVFQ-IEBWSBKVSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246392875 1037351736 /nfs/dbraw/zinc/35/17/36/1037351736.db2.gz PFOCXTSAKPIVFQ-IEBWSBKVSA-N 1 3 378.944 3.716 20 0 GHADHO CCCCCC[C@@H](CC)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246408827 1037365969 /nfs/dbraw/zinc/36/59/69/1037365969.db2.gz FMZQSPQMRLEAAP-KXXIFBCNSA-N 1 3 384.605 3.627 20 0 GHADHO CC1(C)C[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CCN1 ZINC001246416490 1037372996 /nfs/dbraw/zinc/37/29/96/1037372996.db2.gz REFDOJJGRILRNE-SFHVURJKSA-N 1 3 395.385 3.909 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)C[C@H](C)N1 ZINC001246417811 1037373086 /nfs/dbraw/zinc/37/30/86/1037373086.db2.gz VTGVHNQEGGUUBK-HGKCTWBKSA-N 1 3 395.385 3.907 20 0 GHADHO C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246533430 1037467972 /nfs/dbraw/zinc/46/79/72/1037467972.db2.gz CRCRYUCBAGSEJC-RTBURBONSA-N 1 3 377.454 3.938 20 0 GHADHO C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246533430 1037467983 /nfs/dbraw/zinc/46/79/83/1037467983.db2.gz CRCRYUCBAGSEJC-RTBURBONSA-N 1 3 377.454 3.938 20 0 GHADHO Fc1ccc2c(c1)C1(CN2)CC[NH+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246607593 1037501795 /nfs/dbraw/zinc/50/17/95/1037501795.db2.gz RGPGTLWDMIGCQT-SFTDATJTSA-N 1 3 379.523 3.948 20 0 GHADHO COc1ccc2cc(CC[C@H](C)N3CC[NH2+]C[C@]4(CCCCN4)C3)ccc2c1 ZINC001246621014 1037511460 /nfs/dbraw/zinc/51/14/60/1037511460.db2.gz ALPSRQZOCIFSTR-YADARESESA-N 1 3 381.564 3.587 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)CN1Cc1ccccc1 ZINC001246624372 1037516640 /nfs/dbraw/zinc/51/66/40/1037516640.db2.gz DSABPUGYFHYJGW-BHIYHBOVSA-N 1 3 381.486 3.656 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@@H]1CCc3cccc(F)c3C1)CC2 ZINC001246632695 1037519247 /nfs/dbraw/zinc/51/92/47/1037519247.db2.gz ZCDNAUDVNWROGL-LJQANCHMSA-N 1 3 380.507 3.829 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@@H]1CCc3cccc(F)c3C1)CC2 ZINC001246632695 1037519263 /nfs/dbraw/zinc/51/92/63/1037519263.db2.gz ZCDNAUDVNWROGL-LJQANCHMSA-N 1 3 380.507 3.829 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246710697 1037561861 /nfs/dbraw/zinc/56/18/61/1037561861.db2.gz SRNPHADTNVPKJT-DXIQSLLYSA-N 1 3 389.609 3.987 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246725254 1037575118 /nfs/dbraw/zinc/57/51/18/1037575118.db2.gz ZOAJQJPBCLPEOE-GIFXNVAJSA-N 1 3 397.607 3.854 20 0 GHADHO O=C1N(c2cccc(F)c2)CC12CCN([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246769774 1037610880 /nfs/dbraw/zinc/61/08/80/1037610880.db2.gz WXZZILLYKKQAJN-HXUWFJFHSA-N 1 3 385.527 3.709 20 0 GHADHO Clc1ccc([C@@H]2CN(C3CC[NH+](CCc4ccccc4)CC3)CCN2)cc1 ZINC001246806375 1037640263 /nfs/dbraw/zinc/64/02/63/1037640263.db2.gz BVSQMUSEOJJJCG-QHCPKHFHSA-N 1 3 383.967 3.993 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1 ZINC001246809050 1037642153 /nfs/dbraw/zinc/64/21/53/1037642153.db2.gz ZWBZUAMGAJMIBF-UPPNCUKMSA-N 1 3 393.550 3.991 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1 ZINC001246809050 1037642173 /nfs/dbraw/zinc/64/21/73/1037642173.db2.gz ZWBZUAMGAJMIBF-UPPNCUKMSA-N 1 3 393.550 3.991 20 0 GHADHO COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246851016 1037674657 /nfs/dbraw/zinc/67/46/57/1037674657.db2.gz AGWVQGNLUCNEBH-FUPPJEDESA-N 1 3 382.548 3.802 20 0 GHADHO COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246851016 1037674670 /nfs/dbraw/zinc/67/46/70/1037674670.db2.gz AGWVQGNLUCNEBH-FUPPJEDESA-N 1 3 382.548 3.802 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC(N2CCC[C@@H]2C[NH3+])CC1 ZINC001246918090 1037724624 /nfs/dbraw/zinc/72/46/24/1037724624.db2.gz UWEOTSDHLQAJTD-JLAWEPINSA-N 1 3 397.357 3.631 20 0 GHADHO COC(=O)c1cccc(C[N@H+]([C@H](C)Cc2ccc(C)cc2)C2CCNCC2)c1 ZINC001246959890 1037778529 /nfs/dbraw/zinc/77/85/29/1037778529.db2.gz UFDAMSWUBDNEEH-LJQANCHMSA-N 1 3 380.532 3.967 20 0 GHADHO COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2ccc(C)cc2)C2CCNCC2)c1 ZINC001246959890 1037778544 /nfs/dbraw/zinc/77/85/44/1037778544.db2.gz UFDAMSWUBDNEEH-LJQANCHMSA-N 1 3 380.532 3.967 20 0 GHADHO COC(=O)c1cccc(CN([C@H](C)Cc2ccc(C)cc2)C2CC[NH2+]CC2)c1 ZINC001246959890 1037778563 /nfs/dbraw/zinc/77/85/63/1037778563.db2.gz UFDAMSWUBDNEEH-LJQANCHMSA-N 1 3 380.532 3.967 20 0 GHADHO CC[C@@H]1CC(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246999497 1037824026 /nfs/dbraw/zinc/82/40/26/1037824026.db2.gz JMDOPJZCKCXTGV-WOJBJXKFSA-N 1 3 391.987 3.977 20 0 GHADHO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001462237733 1070109765 /nfs/dbraw/zinc/10/97/65/1070109765.db2.gz ZHMVCOCZXDRMMW-VMXMFDLUSA-N 1 3 387.568 3.932 20 0 GHADHO COC(=O)c1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001232705760 1038506257 /nfs/dbraw/zinc/50/62/57/1038506257.db2.gz AUQHXFSQHAEDNN-NHCUHLMSSA-N 1 3 396.506 3.956 20 0 GHADHO COC(=O)c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001232705760 1038506265 /nfs/dbraw/zinc/50/62/65/1038506265.db2.gz AUQHXFSQHAEDNN-NHCUHLMSSA-N 1 3 396.506 3.956 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3cccc(Oc4ccc(F)cc4)c3)CC2)CC1 ZINC001233210223 1038972356 /nfs/dbraw/zinc/97/23/56/1038972356.db2.gz WQTWPDVPDWFWDD-UHFFFAOYSA-N 1 3 383.511 3.830 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001233275949 1039045940 /nfs/dbraw/zinc/04/59/40/1039045940.db2.gz UQDLQLCFFQYBIT-QFIPXVFZSA-N 1 3 392.543 3.877 20 0 GHADHO CC(C)O[C@@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001462353577 1070193583 /nfs/dbraw/zinc/19/35/83/1070193583.db2.gz VHBLYZAVRRXCAJ-QHCPKHFHSA-N 1 3 382.548 3.769 20 0 GHADHO O[C@@]1(CN[C@H](c2cccc(F)c2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252947699 1039292235 /nfs/dbraw/zinc/29/22/35/1039292235.db2.gz CXYLLFJGPZRTFM-BJKOFHAPSA-N 1 3 398.522 3.520 20 0 GHADHO O[C@@]1(CN[C@H](c2cccc(F)c2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947699 1039292244 /nfs/dbraw/zinc/29/22/44/1039292244.db2.gz CXYLLFJGPZRTFM-BJKOFHAPSA-N 1 3 398.522 3.520 20 0 GHADHO OC1(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038637 1039968733 /nfs/dbraw/zinc/96/87/33/1039968733.db2.gz LNAKKEFVJWPMFY-QFIPXVFZSA-N 1 3 397.588 3.665 20 0 GHADHO OC1(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038637 1039968736 /nfs/dbraw/zinc/96/87/36/1039968736.db2.gz LNAKKEFVJWPMFY-QFIPXVFZSA-N 1 3 397.588 3.665 20 0 GHADHO OC1(CN[C@H](c2ccccc2)c2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC001254048619 1039974575 /nfs/dbraw/zinc/97/45/75/1039974575.db2.gz UJDIQEYYGHTKNM-XMMPIXPASA-N 1 3 387.527 3.788 20 0 GHADHO OC1(CNCc2c(F)cccc2C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC001254049981 1039975427 /nfs/dbraw/zinc/97/54/27/1039975427.db2.gz YAVAWUJCCQZDGD-UHFFFAOYSA-N 1 3 396.428 3.961 20 0 GHADHO CN1CC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C[C@@H]1c1ccc(Br)cc1 ZINC001462440827 1070255074 /nfs/dbraw/zinc/25/50/74/1070255074.db2.gz RNEUUXTWRGIOOE-NSISKUIASA-N 1 3 394.401 3.906 20 0 GHADHO CC[NH+]1CCC(CC2CCN(Cc3ccc(OC)c(C(=O)OC)c3)CC2)CC1 ZINC001234973602 1040475153 /nfs/dbraw/zinc/47/51/53/1040475153.db2.gz BLFOWLJDASDZMA-UHFFFAOYSA-N 1 3 388.552 3.816 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](N1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001254782826 1040542319 /nfs/dbraw/zinc/54/23/19/1040542319.db2.gz COXBKHDVSOFXEA-LJQANCHMSA-N 1 3 395.563 3.674 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972628 1040700325 /nfs/dbraw/zinc/70/03/25/1040700325.db2.gz VHPHWYUQQSQNBU-HZEGPAAWSA-N 1 3 387.568 3.871 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972628 1040700340 /nfs/dbraw/zinc/70/03/40/1040700340.db2.gz VHPHWYUQQSQNBU-HZEGPAAWSA-N 1 3 387.568 3.871 20 0 GHADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972628 1040700357 /nfs/dbraw/zinc/70/03/57/1040700357.db2.gz VHPHWYUQQSQNBU-HZEGPAAWSA-N 1 3 387.568 3.871 20 0 GHADHO Brc1ccc2c(c1)n[nH]c2CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235242064 1040722827 /nfs/dbraw/zinc/72/28/27/1040722827.db2.gz QEAGMMLXFDBTRZ-INIZCTEOSA-N 1 3 377.330 3.680 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137903 1040844356 /nfs/dbraw/zinc/84/43/56/1040844356.db2.gz ZAUKMBUDYANUPX-LNWKWYTESA-N 1 3 390.575 3.785 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137903 1040844367 /nfs/dbraw/zinc/84/43/67/1040844367.db2.gz ZAUKMBUDYANUPX-LNWKWYTESA-N 1 3 390.575 3.785 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151266 1040876329 /nfs/dbraw/zinc/87/63/29/1040876329.db2.gz VGWIWNHFBJRCSU-CIAFKFPVSA-N 1 3 378.520 3.515 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151266 1040876346 /nfs/dbraw/zinc/87/63/46/1040876346.db2.gz VGWIWNHFBJRCSU-CIAFKFPVSA-N 1 3 378.520 3.515 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(Cc3ccccc3)CC1)CCO2 ZINC001255396905 1040984067 /nfs/dbraw/zinc/98/40/67/1040984067.db2.gz LRZHANCUVBWWCE-RBBKRZOGSA-N 1 3 394.515 3.941 20 0 GHADHO c1c(CN2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)sc2c1CC[NH2+]C2 ZINC001235632092 1041064004 /nfs/dbraw/zinc/06/40/04/1041064004.db2.gz NYFANYVICCJBHG-SIKLNZKXSA-N 1 3 390.593 3.724 20 0 GHADHO [NH3+]CCNC(=O)c1cccc(CN2CCC(CCc3ccc(Cl)cc3)CC2)c1 ZINC001235695353 1041171071 /nfs/dbraw/zinc/17/10/71/1041171071.db2.gz QZTTYXQBJLTXEP-UHFFFAOYSA-N 1 3 399.966 3.873 20 0 GHADHO CCN(Cc1ccc(Br)c2ccc(OC)nc12)C1CC[NH2+]CC1 ZINC001235759831 1041249409 /nfs/dbraw/zinc/24/94/09/1041249409.db2.gz BEFURPJHKUZURB-UHFFFAOYSA-N 1 3 378.314 3.580 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964533 1041445449 /nfs/dbraw/zinc/44/54/49/1041445449.db2.gz ZGAHXLVZMCVJMD-URXFXBBRSA-N 1 3 385.596 3.664 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964533 1041445460 /nfs/dbraw/zinc/44/54/60/1041445460.db2.gz ZGAHXLVZMCVJMD-URXFXBBRSA-N 1 3 385.596 3.664 20 0 GHADHO [NH3+]C1CN([C@H]2CCCN(Cc3ccc(-c4ccccc4C(F)(F)F)o3)C2)C1 ZINC001236072363 1041523557 /nfs/dbraw/zinc/52/35/57/1041523557.db2.gz GMTWMBDFRNDAIA-HNNXBMFYSA-N 1 3 379.426 3.573 20 0 GHADHO O=C1N[C@H](c2ccc(-c3ccc(CN4CCCCC4)c(F)c3)cc2)CC12C[NH2+]C2 ZINC001236248475 1041642984 /nfs/dbraw/zinc/64/29/84/1041642984.db2.gz HMTPUPTXYAUPAE-QFIPXVFZSA-N 1 3 393.506 3.629 20 0 GHADHO [NH3+]Cc1cccc(CN2CCC3(Cc4cc(Br)ccc4O3)CC2)c1 ZINC001236302772 1041666219 /nfs/dbraw/zinc/66/62/19/1041666219.db2.gz GGYSPFSKYASOJN-UHFFFAOYSA-N 1 3 387.321 3.878 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256294803 1041688687 /nfs/dbraw/zinc/68/86/87/1041688687.db2.gz HITKXAWKWQIAAD-XMMPIXPASA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256294803 1041688694 /nfs/dbraw/zinc/68/86/94/1041688694.db2.gz HITKXAWKWQIAAD-XMMPIXPASA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296706 1041690257 /nfs/dbraw/zinc/69/02/57/1041690257.db2.gz RESKYVWTQZLYIZ-LEWJYISDSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296706 1041690263 /nfs/dbraw/zinc/69/02/63/1041690263.db2.gz RESKYVWTQZLYIZ-LEWJYISDSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296706 1041690270 /nfs/dbraw/zinc/69/02/70/1041690270.db2.gz RESKYVWTQZLYIZ-LEWJYISDSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296706 1041690274 /nfs/dbraw/zinc/69/02/74/1041690274.db2.gz RESKYVWTQZLYIZ-LEWJYISDSA-N 1 3 399.579 3.840 20 0 GHADHO CCOc1ncc(CN(Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1F ZINC001236385282 1041693557 /nfs/dbraw/zinc/69/35/57/1041693557.db2.gz SDGINHXSXUWCGI-UHFFFAOYSA-N 1 3 375.463 3.760 20 0 GHADHO CCOc1ncc(CN(Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001236545326 1041758570 /nfs/dbraw/zinc/75/85/70/1041758570.db2.gz NYYOJIKPUAWOKX-WGSAOQKQSA-N 1 3 387.499 3.900 20 0 GHADHO [NH3+][C@H]1CCN(C2CCN(Cc3ccc4ccccc4c3Br)CC2)C1 ZINC001236620933 1041787574 /nfs/dbraw/zinc/78/75/74/1041787574.db2.gz HIPIFODITDNQHH-KRWDZBQOSA-N 1 3 388.353 3.600 20 0 GHADHO Cc1nnn(-c2ccc(F)cc2)c1CN(Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702027 1041841817 /nfs/dbraw/zinc/84/18/17/1041841817.db2.gz WSZNZKAWSCKKNN-MEMLXQNLSA-N 1 3 393.510 3.987 20 0 GHADHO CCOC(=O)[C@H]1CN(Cc2sc(Cl)c3ccccc32)CCC12C[NH2+]C2 ZINC001237436036 1042207065 /nfs/dbraw/zinc/20/70/65/1042207065.db2.gz NIGVJCSWCMPZPY-OAHLLOKOSA-N 1 3 378.925 3.529 20 0 GHADHO CC(C)C1=NCCc2ccc(CN3CCC([N@H+](C)C4CCOCC4)CC3)cc21 ZINC001237887264 1042410299 /nfs/dbraw/zinc/41/02/99/1042410299.db2.gz UWBLAZWQGHVKOG-UHFFFAOYSA-N 1 3 383.580 3.763 20 0 GHADHO CC(C)C1=NCCc2ccc(CN3CCC([N@@H+](C)C4CCOCC4)CC3)cc21 ZINC001237887264 1042410301 /nfs/dbraw/zinc/41/03/01/1042410301.db2.gz UWBLAZWQGHVKOG-UHFFFAOYSA-N 1 3 383.580 3.763 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccc(COc4ccccc4)cc3)CC2)CC1 ZINC001237920914 1042423089 /nfs/dbraw/zinc/42/30/89/1042423089.db2.gz PGJXVVIEHSFMLQ-UHFFFAOYSA-N 1 3 393.575 3.725 20 0 GHADHO CC(=O)OC(C)(C)CCC[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001278244241 1042625596 /nfs/dbraw/zinc/62/55/96/1042625596.db2.gz BFTAZELSTSMYOC-UHFFFAOYSA-N 1 3 378.479 3.849 20 0 GHADHO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001462674901 1070463216 /nfs/dbraw/zinc/46/32/16/1070463216.db2.gz ZXVLWBBFHAQCCS-LCWAXJCOSA-N 1 3 379.589 3.875 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCN(Cc4ccccc4)[C@H](C)C3)C2)C1 ZINC001256541798 1043493911 /nfs/dbraw/zinc/49/39/11/1043493911.db2.gz JCFDYNSDDSBWEX-QLBJFCOMSA-N 1 3 399.623 3.862 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@H+]([C@@H]3CCN(Cc4ccccc4)[C@H](C)C3)C2)C1 ZINC001256541798 1043493921 /nfs/dbraw/zinc/49/39/21/1043493921.db2.gz JCFDYNSDDSBWEX-QLBJFCOMSA-N 1 3 399.623 3.862 20 0 GHADHO CC(C)(C)N1CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001256574033 1043547705 /nfs/dbraw/zinc/54/77/05/1043547705.db2.gz UNCKOFLDDDVROP-OFNKIYASSA-N 1 3 387.568 3.594 20 0 GHADHO CC(C)(C)N1CCC([N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001256574033 1043547716 /nfs/dbraw/zinc/54/77/16/1043547716.db2.gz UNCKOFLDDDVROP-OFNKIYASSA-N 1 3 387.568 3.594 20 0 GHADHO COc1cccc2c1CC[C@H]([NH+]1CCC3(CCN(Cc4cccnc4)C3)CC1)C2 ZINC001256650087 1043595226 /nfs/dbraw/zinc/59/52/26/1043595226.db2.gz FOTJTTPJCABBOF-QFIPXVFZSA-N 1 3 391.559 3.936 20 0 GHADHO Fc1ccc([C@H](CC2CCOCC2)[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256685358 1043621014 /nfs/dbraw/zinc/62/10/14/1043621014.db2.gz DNSHFXWUMONPBV-VNXZQDSDSA-N 1 3 390.543 3.917 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808117 1043664554 /nfs/dbraw/zinc/66/45/54/1043664554.db2.gz DSMDISNRPOJEQJ-OLKYXYMISA-N 1 3 384.564 3.587 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808117 1043664560 /nfs/dbraw/zinc/66/45/60/1043664560.db2.gz DSMDISNRPOJEQJ-OLKYXYMISA-N 1 3 384.564 3.587 20 0 GHADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC001292497173 1043764203 /nfs/dbraw/zinc/76/42/03/1043764203.db2.gz POFZPFKAPCFXLW-BZSNNMDCSA-N 1 3 385.556 3.578 20 0 GHADHO CC[C@@H]1C[C@@H](N2CCN(c3cc[nH+]c(C)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257146141 1043895219 /nfs/dbraw/zinc/89/52/19/1043895219.db2.gz YMAZLFWAHAOGSJ-QUCCMNQESA-N 1 3 388.556 3.690 20 0 GHADHO CC(C)[NH+]1CCC(N2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)CC1 ZINC001257218590 1043939848 /nfs/dbraw/zinc/93/98/48/1043939848.db2.gz WRSJJLJLHISBFJ-UHFFFAOYSA-N 1 3 375.582 3.549 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001258001463 1044328623 /nfs/dbraw/zinc/32/86/23/1044328623.db2.gz RPHPLVQUAFOIHE-OALUTQOASA-N 1 3 381.605 3.980 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001258001202 1044329032 /nfs/dbraw/zinc/32/90/32/1044329032.db2.gz GYPODYOFBWQLDX-RBUKOAKNSA-N 1 3 381.605 3.980 20 0 GHADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258054117 1044372732 /nfs/dbraw/zinc/37/27/32/1044372732.db2.gz ZFQYHMZYNWWRML-TUNNFDKTSA-N 1 3 387.612 3.852 20 0 GHADHO c1ccc(CCN2CCC([NH+]3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001258146216 1044434352 /nfs/dbraw/zinc/43/43/52/1044434352.db2.gz SSVIGESDZVTJIW-DQEYMECFSA-N 1 3 389.587 3.757 20 0 GHADHO CSCC[C@H](C)N1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001258228758 1044479382 /nfs/dbraw/zinc/47/93/82/1044479382.db2.gz KGLOSSFNRYZDJP-INIZCTEOSA-N 1 3 385.618 3.582 20 0 GHADHO COc1ccccc1CC1([NH3+])CCN(C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258417863 1044549273 /nfs/dbraw/zinc/54/92/73/1044549273.db2.gz UECOOLRDZIGCLC-UHFFFAOYSA-N 1 3 397.538 3.839 20 0 GHADHO Clc1ccccc1N1CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001258539548 1044615009 /nfs/dbraw/zinc/61/50/09/1044615009.db2.gz GOFNVNHMWFFNRY-UHFFFAOYSA-N 1 3 391.987 3.789 20 0 GHADHO [NH3+]C1(c2ccc(F)cc2)CCN([C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258575769 1044651640 /nfs/dbraw/zinc/65/16/40/1044651640.db2.gz YJHSQOPCPZNMEU-QFIPXVFZSA-N 1 3 395.522 3.657 20 0 GHADHO C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N1CCCCCC1 ZINC001301486019 1046562878 /nfs/dbraw/zinc/56/28/78/1046562878.db2.gz IHCWJBZEPPOZRM-UNMCSNQZSA-N 1 3 383.580 3.669 20 0 GHADHO C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N1CCCCCC1 ZINC001301486019 1046562892 /nfs/dbraw/zinc/56/28/92/1046562892.db2.gz IHCWJBZEPPOZRM-UNMCSNQZSA-N 1 3 383.580 3.669 20 0 GHADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001302674492 1047038437 /nfs/dbraw/zinc/03/84/37/1047038437.db2.gz UDXGRYJKWMNKOT-IBGZPJMESA-N 1 3 390.620 3.587 20 0 GHADHO O=C(CC1(N2CCOCC2)CCCC1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302916934 1047188196 /nfs/dbraw/zinc/18/81/96/1047188196.db2.gz SBSSHOIPSVXJAN-UHFFFAOYSA-N 1 3 385.552 3.646 20 0 GHADHO Clc1ncnc(Cl)c1CCN1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279601163 1047863692 /nfs/dbraw/zinc/86/36/92/1047863692.db2.gz XQNHFMAZOFWURX-GASCZTMLSA-N 1 3 383.367 3.912 20 0 GHADHO Clc1ncnc(Cl)c1CCN1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279601163 1047863706 /nfs/dbraw/zinc/86/37/06/1047863706.db2.gz XQNHFMAZOFWURX-GASCZTMLSA-N 1 3 383.367 3.912 20 0 GHADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1cc3sccc3nc1Cl)C2 ZINC001279673040 1047909980 /nfs/dbraw/zinc/90/99/80/1047909980.db2.gz WMGMZYKPFCRUJW-HXUWFJFHSA-N 1 3 393.000 3.799 20 0 GHADHO C[NH+]1CCC(NC(=O)[C@H]2CCC[C@]23CCN(Cc2ccc(Cl)s2)C3)CC1 ZINC001280310884 1048174284 /nfs/dbraw/zinc/17/42/84/1048174284.db2.gz PEPFLBMOUKQDLU-YLJYHZDGSA-N 1 3 396.000 3.604 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001307670797 1049491819 /nfs/dbraw/zinc/49/18/19/1049491819.db2.gz UDTLZNYBTQAYEV-FCGDIQPGSA-N 1 3 379.589 3.922 20 0 GHADHO COc1ccc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)c2ccccc12 ZINC001308245209 1049924748 /nfs/dbraw/zinc/92/47/48/1049924748.db2.gz UEJDUDHASVFQGU-UHFFFAOYSA-N 1 3 389.543 3.886 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001308329481 1049949836 /nfs/dbraw/zinc/94/98/36/1049949836.db2.gz AVAHCJCVFMGUOJ-DNQXCXABSA-N 1 3 398.522 3.872 20 0 GHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568458 1050013176 /nfs/dbraw/zinc/01/31/76/1050013176.db2.gz DYAODOJMYZTPGH-UKRRQHHQSA-N 1 3 383.330 3.540 20 0 GHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568458 1050013180 /nfs/dbraw/zinc/01/31/80/1050013180.db2.gz DYAODOJMYZTPGH-UKRRQHHQSA-N 1 3 383.330 3.540 20 0 GHADHO Cc1ccccc1OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001329139845 1050731827 /nfs/dbraw/zinc/73/18/27/1050731827.db2.gz BCHDAXBVGRTDAA-UCBGAZFYSA-N 1 3 394.559 3.910 20 0 GHADHO Cc1ccccc1OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001329139845 1050731844 /nfs/dbraw/zinc/73/18/44/1050731844.db2.gz BCHDAXBVGRTDAA-UCBGAZFYSA-N 1 3 394.559 3.910 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@H](O)c1ccc(F)cc1F)c1ccccc1O2 ZINC001335881224 1052197134 /nfs/dbraw/zinc/19/71/34/1052197134.db2.gz MCFQRJRHFQIJSC-PMACEKPBSA-N 1 3 388.458 3.576 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)CC(C)C ZINC001311535172 1052228066 /nfs/dbraw/zinc/22/80/66/1052228066.db2.gz XIMCJVHNZGRBHK-GGAORHGYSA-N 1 3 388.600 3.707 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001311748202 1052371693 /nfs/dbraw/zinc/37/16/93/1052371693.db2.gz ZQFBHRBTAHZHIS-VWNXMTODSA-N 1 3 394.563 3.562 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001311748202 1052371697 /nfs/dbraw/zinc/37/16/97/1052371697.db2.gz ZQFBHRBTAHZHIS-VWNXMTODSA-N 1 3 394.563 3.562 20 0 GHADHO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC001312557501 1052789738 /nfs/dbraw/zinc/78/97/38/1052789738.db2.gz LFEPESKRNOUADG-YADHBBJMSA-N 1 3 388.600 3.516 20 0 GHADHO O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001312776806 1052866509 /nfs/dbraw/zinc/86/65/09/1052866509.db2.gz ZWPHUHSGFMNZQL-JOCHJYFZSA-N 1 3 386.584 3.606 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC001312994162 1052928728 /nfs/dbraw/zinc/92/87/28/1052928728.db2.gz IHHQFNDKKZRHAW-FQEVSTJZSA-N 1 3 388.600 3.803 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC001312994162 1052928730 /nfs/dbraw/zinc/92/87/30/1052928730.db2.gz IHHQFNDKKZRHAW-FQEVSTJZSA-N 1 3 388.600 3.803 20 0 GHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccccc2N2CCN(C)CC2)CC1 ZINC001319288603 1055158457 /nfs/dbraw/zinc/15/84/57/1055158457.db2.gz CVYXWZAEDTUSCZ-NZQKXSOJSA-N 1 3 384.612 3.571 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cccc(OC(F)F)c1 ZINC001319392923 1055225074 /nfs/dbraw/zinc/22/50/74/1055225074.db2.gz GRMDOVCMLGNLEA-QGZVFWFLSA-N 1 3 389.490 3.886 20 0 GHADHO C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001319959011 1055563523 /nfs/dbraw/zinc/56/35/23/1055563523.db2.gz BNXHFXFPPCKOBR-CWKRKGSWSA-N 1 3 383.580 3.525 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cccc(CC3CCC3)c2)cc1 ZINC001200681869 1056718106 /nfs/dbraw/zinc/71/81/06/1056718106.db2.gz KRWFMMVOWITSRF-UHFFFAOYSA-N 1 3 379.548 3.610 20 0 GHADHO COc1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC000848575376 1057189151 /nfs/dbraw/zinc/18/91/51/1057189151.db2.gz PKWXUPQNUFGZBA-JKSUJKDBSA-N 1 3 383.330 3.573 20 0 GHADHO COc1cc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC000848575376 1057189154 /nfs/dbraw/zinc/18/91/54/1057189154.db2.gz PKWXUPQNUFGZBA-JKSUJKDBSA-N 1 3 383.330 3.573 20 0 GHADHO COc1ccc(Cl)cc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849069540 1057580185 /nfs/dbraw/zinc/58/01/85/1057580185.db2.gz LCINRGLWMZEQCN-UHFFFAOYSA-N 1 3 386.927 3.627 20 0 GHADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001441245046 1058736877 /nfs/dbraw/zinc/73/68/77/1058736877.db2.gz UPIRDZJSUWCUSM-FGZHOGPDSA-N 1 3 383.580 3.594 20 0 GHADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001441245046 1058736892 /nfs/dbraw/zinc/73/68/92/1058736892.db2.gz UPIRDZJSUWCUSM-FGZHOGPDSA-N 1 3 383.580 3.594 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)C2CC[NH+](CC(C)C)CC2)N(C)C)cc1 ZINC001450806960 1060696631 /nfs/dbraw/zinc/69/66/31/1060696631.db2.gz WBQVWFHWYXZYGV-QHCPKHFHSA-N 1 3 387.612 3.972 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H](c1ccccc1)C1CCCC1)c1ccccc1 ZINC001459708201 1064179855 /nfs/dbraw/zinc/17/98/55/1064179855.db2.gz UOXLIQKOXSVMEH-LADGPHEKSA-N 1 3 379.548 3.927 20 0 GHADHO CCc1ccc([C@H](CNC(=O)c2ccc(Nc3ccncc3)cc2)[NH+](C)C)cc1 ZINC001463767354 1064599571 /nfs/dbraw/zinc/59/95/71/1064599571.db2.gz XBFSGZWEFADXIO-QHCPKHFHSA-N 1 3 388.515 3.842 20 0 GHADHO COc1cc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)ccc1OC(C)C ZINC001200045946 1065066115 /nfs/dbraw/zinc/06/61/15/1065066115.db2.gz BMOOCNQLWWJLDN-UHFFFAOYSA-N 1 3 397.563 3.520 20 0 GHADHO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(C[NH+]3CCCCC3)o2)n1 ZINC001465072766 1065372298 /nfs/dbraw/zinc/37/22/98/1065372298.db2.gz IOZXVAUAYCCCRA-SFHVURJKSA-N 1 3 382.508 3.686 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001477615907 1078493424 /nfs/dbraw/zinc/49/34/24/1078493424.db2.gz ZNUKNXQHGWNHNX-RBBKRZOGSA-N 1 3 398.595 3.872 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC001477649889 1078507127 /nfs/dbraw/zinc/50/71/27/1078507127.db2.gz AHSFCSQFQDENFC-JOCHJYFZSA-N 1 3 388.600 3.607 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)c1 ZINC001477688625 1078526693 /nfs/dbraw/zinc/52/66/93/1078526693.db2.gz NKOISLCXLZLQBQ-QHCPKHFHSA-N 1 3 394.563 3.520 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)c1 ZINC001477688625 1078526701 /nfs/dbraw/zinc/52/67/01/1078526701.db2.gz NKOISLCXLZLQBQ-QHCPKHFHSA-N 1 3 394.563 3.520 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468349854 1067697187 /nfs/dbraw/zinc/69/71/87/1067697187.db2.gz GZVSGUZQMZKLPU-NZQKXSOJSA-N 1 3 396.579 3.808 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468349854 1067697191 /nfs/dbraw/zinc/69/71/91/1067697191.db2.gz GZVSGUZQMZKLPU-NZQKXSOJSA-N 1 3 396.579 3.808 20 0 GHADHO CCCNc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849105231 1067730503 /nfs/dbraw/zinc/73/05/03/1067730503.db2.gz FZRIHYIWUPFXNY-UHFFFAOYSA-N 1 3 379.552 3.787 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001468872860 1067914622 /nfs/dbraw/zinc/91/46/22/1067914622.db2.gz KBNLXNXDDJBMIS-BHDDXSALSA-N 1 3 384.568 3.530 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001468872860 1067914623 /nfs/dbraw/zinc/91/46/23/1067914623.db2.gz KBNLXNXDDJBMIS-BHDDXSALSA-N 1 3 384.568 3.530 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001468947555 1067935690 /nfs/dbraw/zinc/93/56/90/1067935690.db2.gz PYKRHOICTPGNCB-RBUKOAKNSA-N 1 3 380.964 3.506 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001468947555 1067935693 /nfs/dbraw/zinc/93/56/93/1067935693.db2.gz PYKRHOICTPGNCB-RBUKOAKNSA-N 1 3 380.964 3.506 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001469757371 1068364156 /nfs/dbraw/zinc/36/41/56/1068364156.db2.gz BTBMOAFGAKETTO-XLIONFOSSA-N 1 3 392.613 3.575 20 0 GHADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460627047 1069040525 /nfs/dbraw/zinc/04/05/25/1069040525.db2.gz NMCVKXSKHVPKGY-HXUWFJFHSA-N 1 3 379.589 3.830 20 0 GHADHO CC1CCN(CC[C@H]2CCC[N@H+]2CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460627047 1069040545 /nfs/dbraw/zinc/04/05/45/1069040545.db2.gz NMCVKXSKHVPKGY-HXUWFJFHSA-N 1 3 379.589 3.830 20 0 GHADHO CC(C)[C@@H](CNC(=O)N[C@H](C)CN(C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001478746402 1078973951 /nfs/dbraw/zinc/97/39/51/1078973951.db2.gz PAPQMRFORLQAQU-IFMALSPDSA-N 1 3 388.600 3.707 20 0 GHADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001473704964 1074097848 /nfs/dbraw/zinc/09/78/48/1074097848.db2.gz YFKCKVBZAZNEEL-KRWDZBQOSA-N 1 3 377.960 3.667 20 0 GHADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719496 1074106455 /nfs/dbraw/zinc/10/64/55/1074106455.db2.gz XJJTYYQJGNVABA-KOVSNXQUSA-N 1 3 384.564 3.810 20 0 GHADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719496 1074106457 /nfs/dbraw/zinc/10/64/57/1074106457.db2.gz XJJTYYQJGNVABA-KOVSNXQUSA-N 1 3 384.564 3.810 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC001476122561 1075088720 /nfs/dbraw/zinc/08/87/20/1075088720.db2.gz UILDPFKENKMELN-LBPRGKRZSA-N 1 3 394.869 3.752 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC001476122561 1075088724 /nfs/dbraw/zinc/08/87/24/1075088724.db2.gz UILDPFKENKMELN-LBPRGKRZSA-N 1 3 394.869 3.752 20 0 GHADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(-c4cccs4)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424102 1126207151 /nfs/dbraw/zinc/20/71/51/1126207151.db2.gz XZVGCDULBPEMIA-JMVFIXPQSA-N 1 3 391.606 3.831 20 0 GHADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(-c4cccs4)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424102 1126207152 /nfs/dbraw/zinc/20/71/52/1126207152.db2.gz XZVGCDULBPEMIA-JMVFIXPQSA-N 1 3 391.606 3.831 20 0 GHADHO C[NH+](C)CCC1CC[NH+](Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000736758652 599359145 /nfs/dbraw/zinc/35/91/45/599359145.db2.gz HRPVCCHWSMHISQ-UHFFFAOYSA-N 1 3 390.535 3.697 20 0 GHADHO C[NH+](C)CCC1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000736758652 599359148 /nfs/dbraw/zinc/35/91/48/599359148.db2.gz HRPVCCHWSMHISQ-UHFFFAOYSA-N 1 3 390.535 3.697 20 0 GHADHO C[C@H]1C[C@H](CCNCc2ccc(S(C)(=O)=O)s2)C[N@@H+]1Cc1ccccc1 ZINC000414364816 837391030 /nfs/dbraw/zinc/39/10/30/837391030.db2.gz JQDPYYIFOWIHGL-WMZOPIPTSA-N 1 3 392.590 3.542 20 0 GHADHO C[C@H]1C[C@H](CCNCc2ccc(S(C)(=O)=O)s2)C[N@H+]1Cc1ccccc1 ZINC000414364816 837391041 /nfs/dbraw/zinc/39/10/41/837391041.db2.gz JQDPYYIFOWIHGL-WMZOPIPTSA-N 1 3 392.590 3.542 20 0 GHADHO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000647552348 837521814 /nfs/dbraw/zinc/52/18/14/837521814.db2.gz TYYZEHXWEDZANQ-DLBZAZTESA-N 1 3 394.519 3.772 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423381880 837725348 /nfs/dbraw/zinc/72/53/48/837725348.db2.gz ZZJQDKFBOYJISW-RTXFEEFZSA-N 1 3 377.838 3.935 20 0 GHADHO CCCN(C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000511252429 834520748 /nfs/dbraw/zinc/52/07/48/834520748.db2.gz LEHGFZNAXNEJEF-NZQKXSOJSA-N 1 3 398.595 3.723 20 0 GHADHO CCCN(C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000511252429 834520751 /nfs/dbraw/zinc/52/07/51/834520751.db2.gz LEHGFZNAXNEJEF-NZQKXSOJSA-N 1 3 398.595 3.723 20 0 GHADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1cccs1 ZINC000647334805 834597207 /nfs/dbraw/zinc/59/72/07/834597207.db2.gz SGDJIBHXGICENC-LMNJBCLMSA-N 1 3 385.577 3.643 20 0 GHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc(C[NH3+])cc1F ZINC000650717756 834647263 /nfs/dbraw/zinc/64/72/63/834647263.db2.gz LNFWMNVEWNXECH-LBPRGKRZSA-N 1 3 383.389 3.810 20 0 GHADHO CCOc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1OC(F)F ZINC000650722379 834689574 /nfs/dbraw/zinc/68/95/74/834689574.db2.gz RFDAFSMOAHARGT-LZLYRXPVSA-N 1 3 384.467 3.548 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000650723745 834704838 /nfs/dbraw/zinc/70/48/38/834704838.db2.gz STTDGYPSOFNXQH-HFTRVMKXSA-N 1 3 390.421 3.628 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000728570432 834746241 /nfs/dbraw/zinc/74/62/41/834746241.db2.gz KSSPKKHQBJFCOM-HSZRJFAPSA-N 1 3 398.547 3.581 20 0 GHADHO COc1ccc(OC)c([C@H](O)CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000728570432 834746248 /nfs/dbraw/zinc/74/62/48/834746248.db2.gz KSSPKKHQBJFCOM-HSZRJFAPSA-N 1 3 398.547 3.581 20 0 GHADHO Cc1c(CN2CCSCC2)cccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655750182 837822129 /nfs/dbraw/zinc/82/21/29/837822129.db2.gz NFOHEXFPFCLWCO-OAQYLSRUSA-N 1 3 389.609 3.599 20 0 GHADHO CN(C)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757665 837830697 /nfs/dbraw/zinc/83/06/97/837830697.db2.gz WROIUNCNNKYPPR-PMACEKPBSA-N 1 3 399.501 3.541 20 0 GHADHO Cc1cccn2cc(COc3ccc(CN(C)[C@@H]4CC[N@@H+](C)C[C@@H]4C)cc3)nc12 ZINC000685470409 835033263 /nfs/dbraw/zinc/03/32/63/835033263.db2.gz MQUIAQIRRWBTEK-WMZHIEFXSA-N 1 3 392.547 3.994 20 0 GHADHO Cc1cccn2cc(COc3ccc(CN(C)[C@@H]4CC[N@H+](C)C[C@@H]4C)cc3)nc12 ZINC000685470409 835033271 /nfs/dbraw/zinc/03/32/71/835033271.db2.gz MQUIAQIRRWBTEK-WMZHIEFXSA-N 1 3 392.547 3.994 20 0 GHADHO COC[C@]1(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655629 835269202 /nfs/dbraw/zinc/26/92/02/835269202.db2.gz BVDKAVZWEQYBNP-ZWSUVBHBSA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655629 835269210 /nfs/dbraw/zinc/26/92/10/835269210.db2.gz BVDKAVZWEQYBNP-ZWSUVBHBSA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655629 835269220 /nfs/dbraw/zinc/26/92/20/835269220.db2.gz BVDKAVZWEQYBNP-ZWSUVBHBSA-N 1 3 394.559 3.601 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C(C)(C)C)c(Cl)c3)CC2)CC1 ZINC000685676812 835315232 /nfs/dbraw/zinc/31/52/32/835315232.db2.gz FCAHXTSTEXHRDA-UHFFFAOYSA-N 1 3 391.987 3.926 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCCS2 ZINC000658142581 835453535 /nfs/dbraw/zinc/45/35/35/835453535.db2.gz YOYWOPNNEPNSAY-SIKLNZKXSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCS2 ZINC000658142581 835453542 /nfs/dbraw/zinc/45/35/42/835453542.db2.gz YOYWOPNNEPNSAY-SIKLNZKXSA-N 1 3 398.572 3.979 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548481426 844131440 /nfs/dbraw/zinc/13/14/40/844131440.db2.gz FATUSADZLLHWGV-YSIASYRMSA-N 1 3 397.950 3.946 20 0 GHADHO CCN1CCN(c2ccc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000175197643 836701168 /nfs/dbraw/zinc/70/11/68/836701168.db2.gz PBPGGGFCLSQSLG-UHFFFAOYSA-N 1 3 392.547 3.677 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000511374521 836726707 /nfs/dbraw/zinc/72/67/07/836726707.db2.gz AAZPINHAALRVID-QFIPXVFZSA-N 1 3 381.589 3.994 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000175296275 836746299 /nfs/dbraw/zinc/74/62/99/836746299.db2.gz REYSJUHGNWTOSB-OIBXWCBGSA-N 1 3 394.563 3.642 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000175296275 836746307 /nfs/dbraw/zinc/74/63/07/836746307.db2.gz REYSJUHGNWTOSB-OIBXWCBGSA-N 1 3 394.563 3.642 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000414272977 836859327 /nfs/dbraw/zinc/85/93/27/836859327.db2.gz SLQPNFVZRLYFSC-IHLLOCCUSA-N 1 3 395.547 3.833 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000414272977 836859333 /nfs/dbraw/zinc/85/93/33/836859333.db2.gz SLQPNFVZRLYFSC-IHLLOCCUSA-N 1 3 395.547 3.833 20 0 GHADHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000414311828 837044245 /nfs/dbraw/zinc/04/42/45/837044245.db2.gz VNLOYNQFUKQSPT-OAQYLSRUSA-N 1 3 396.531 3.526 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655763316 837839188 /nfs/dbraw/zinc/83/91/88/837839188.db2.gz NBBSTZRABRKQIT-PKTZIBPZSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415811452 838140757 /nfs/dbraw/zinc/14/07/57/838140757.db2.gz XQTPYNHZMZARFQ-QGZVFWFLSA-N 1 3 396.963 3.650 20 0 GHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659285339 838210030 /nfs/dbraw/zinc/21/00/30/838210030.db2.gz MKMVVGNTFRHPJH-OFNKIYASSA-N 1 3 377.532 3.592 20 0 GHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659285339 838210044 /nfs/dbraw/zinc/21/00/44/838210044.db2.gz MKMVVGNTFRHPJH-OFNKIYASSA-N 1 3 377.532 3.592 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000415939732 838292759 /nfs/dbraw/zinc/29/27/59/838292759.db2.gz ZNUGWISULCFVRY-QFIPXVFZSA-N 1 3 396.535 3.763 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000415957567 838310664 /nfs/dbraw/zinc/31/06/64/838310664.db2.gz PTPPADVYLKYZCZ-LJQANCHMSA-N 1 3 380.536 3.924 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000580115815 838893409 /nfs/dbraw/zinc/89/34/09/838893409.db2.gz YIYFCHXJTUTQDV-QFIPXVFZSA-N 1 3 383.536 3.568 20 0 GHADHO CN1CCCC[C@@H]1CC[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000472684370 839125747 /nfs/dbraw/zinc/12/57/47/839125747.db2.gz IQOXTUNULASJNK-XLIONFOSSA-N 1 3 375.944 3.962 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415131102 839258049 /nfs/dbraw/zinc/25/80/49/839258049.db2.gz YNWJCUOFLPYZDB-RBBKRZOGSA-N 1 3 390.568 3.983 20 0 GHADHO Cn1c2ccc(CNCc3ccc(C[NH+]4CCCCCC4)cc3)cc2oc1=O ZINC000510326434 839515788 /nfs/dbraw/zinc/51/57/88/839515788.db2.gz KOALYGSYKGURCA-UHFFFAOYSA-N 1 3 379.504 3.797 20 0 GHADHO CCCN(C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580585635 839850290 /nfs/dbraw/zinc/85/02/90/839850290.db2.gz RVHHAORNAHWKRC-ZJVRTDGDSA-N 1 3 377.960 3.712 20 0 GHADHO CCCN(C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000580585635 839850294 /nfs/dbraw/zinc/85/02/94/839850294.db2.gz RVHHAORNAHWKRC-ZJVRTDGDSA-N 1 3 377.960 3.712 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000564843602 840062736 /nfs/dbraw/zinc/06/27/36/840062736.db2.gz BEDZWDUEDXLVCY-OAHLLOKOSA-N 1 3 375.340 3.586 20 0 GHADHO CN(CCCN(C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)Cc1ccco1 ZINC000418500141 840327518 /nfs/dbraw/zinc/32/75/18/840327518.db2.gz NXSXGVLLPNTJBY-JOCHJYFZSA-N 1 3 394.519 3.596 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000500114258 841478026 /nfs/dbraw/zinc/47/80/26/841478026.db2.gz QJGIBBVYFFNESW-HZPDHXFCSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000500114258 841478032 /nfs/dbraw/zinc/47/80/32/841478032.db2.gz QJGIBBVYFFNESW-HZPDHXFCSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000500114258 841478035 /nfs/dbraw/zinc/47/80/35/841478035.db2.gz QJGIBBVYFFNESW-HZPDHXFCSA-N 1 3 381.948 3.920 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000418175956 841615565 /nfs/dbraw/zinc/61/55/65/841615565.db2.gz GKHQALAIJBXZNF-JIRNRHONSA-N 1 3 392.975 3.647 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@H](C)O1 ZINC000177749747 861263793 /nfs/dbraw/zinc/26/37/93/861263793.db2.gz ALDDSANFWXGXKF-GASCZTMLSA-N 1 3 398.473 3.571 20 0 GHADHO CC(=O)c1ccc(NC(=O)CCN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000585748495 842253175 /nfs/dbraw/zinc/25/31/75/842253175.db2.gz OZXDTIFLLFYRNU-UHFFFAOYSA-N 1 3 385.552 3.806 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887542 842463927 /nfs/dbraw/zinc/46/39/27/842463927.db2.gz UUKBJDANKZWMRZ-UYAOXDASSA-N 1 3 376.541 3.553 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887542 842463931 /nfs/dbraw/zinc/46/39/31/842463931.db2.gz UUKBJDANKZWMRZ-UYAOXDASSA-N 1 3 376.541 3.553 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000062252880 842901553 /nfs/dbraw/zinc/90/15/53/842901553.db2.gz OCZOQGJFXPBLRC-KBPBESRZSA-N 1 3 376.875 3.920 20 0 GHADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297198 843092970 /nfs/dbraw/zinc/09/29/70/843092970.db2.gz OHVBQFNNVTVAPN-YLJYHZDGSA-N 1 3 383.536 3.664 20 0 GHADHO CSc1cccc(N(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CCN(C)CC2)c1 ZINC000888937699 843170060 /nfs/dbraw/zinc/17/00/60/843170060.db2.gz SVPGZGNAGBVZTM-IRXDYDNUSA-N 1 3 375.582 3.566 20 0 GHADHO CSc1cccc(N(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CCN(C)CC2)c1 ZINC000888937699 843170067 /nfs/dbraw/zinc/17/00/67/843170067.db2.gz SVPGZGNAGBVZTM-IRXDYDNUSA-N 1 3 375.582 3.566 20 0 GHADHO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cccc2c1CNC2 ZINC000662453875 843280741 /nfs/dbraw/zinc/28/07/41/843280741.db2.gz XTMQAKNLHLQLHN-UHFFFAOYSA-N 1 3 391.559 3.755 20 0 GHADHO CCCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418770407 843617629 /nfs/dbraw/zinc/61/76/29/843617629.db2.gz OICNXBPCVNCBBK-FCHUYYIVSA-N 1 3 386.584 3.605 20 0 GHADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604201838 843649109 /nfs/dbraw/zinc/64/91/09/843649109.db2.gz LDJJKPKYPQNVKT-QFIPXVFZSA-N 1 3 386.584 3.825 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468236 843672674 /nfs/dbraw/zinc/67/26/74/843672674.db2.gz KSDSSVGYRYYNHF-FXAWDEMLSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468236 843672682 /nfs/dbraw/zinc/67/26/82/843672682.db2.gz KSDSSVGYRYYNHF-FXAWDEMLSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468236 843672690 /nfs/dbraw/zinc/67/26/90/843672690.db2.gz KSDSSVGYRYYNHF-FXAWDEMLSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@@H](C(=O)N1CCc2ccccc21)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388309 861560016 /nfs/dbraw/zinc/56/00/16/861560016.db2.gz FSMDXVMBCLNSLA-IBGZPJMESA-N 1 3 392.547 3.598 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000249299169 845533278 /nfs/dbraw/zinc/53/32/78/845533278.db2.gz RTTIXLFHHUPFGB-DNQXCXABSA-N 1 3 387.612 3.771 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000249299169 845533283 /nfs/dbraw/zinc/53/32/83/845533283.db2.gz RTTIXLFHHUPFGB-DNQXCXABSA-N 1 3 387.612 3.771 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000513543377 845634030 /nfs/dbraw/zinc/63/40/30/845634030.db2.gz SCIYQBUBRLHXQJ-WIYYLYMNSA-N 1 3 398.551 3.673 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000433943511 845641548 /nfs/dbraw/zinc/64/15/48/845641548.db2.gz UOBUOEJPGJSEMC-UNWVZKJWSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000433943511 845641552 /nfs/dbraw/zinc/64/15/52/845641552.db2.gz UOBUOEJPGJSEMC-UNWVZKJWSA-N 1 3 398.595 3.603 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000236879980 845700007 /nfs/dbraw/zinc/70/00/07/845700007.db2.gz QYQONHFOOHLAHW-ZWKOTPCHSA-N 1 3 397.485 3.594 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCCc4sccc43)c2)C1 ZINC000156937661 845763658 /nfs/dbraw/zinc/76/36/58/845763658.db2.gz XLLGXBHNGRYJFX-AZUAARDMSA-N 1 3 383.561 3.613 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCCc4sccc43)c2)C1 ZINC000156937661 845763670 /nfs/dbraw/zinc/76/36/70/845763670.db2.gz XLLGXBHNGRYJFX-AZUAARDMSA-N 1 3 383.561 3.613 20 0 GHADHO C[NH+](C)C1CCC(NCc2ncc(Br)cc2Br)CC1 ZINC000421374534 846185231 /nfs/dbraw/zinc/18/52/31/846185231.db2.gz PEODBLQQOOJQOX-UHFFFAOYSA-N 1 3 391.151 3.569 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000502858152 846553991 /nfs/dbraw/zinc/55/39/91/846553991.db2.gz HOFQVFDQWWNBJQ-RBBKRZOGSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000502858152 846553996 /nfs/dbraw/zinc/55/39/96/846553996.db2.gz HOFQVFDQWWNBJQ-RBBKRZOGSA-N 1 3 386.584 3.605 20 0 GHADHO CSc1cccc(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501024918 846559229 /nfs/dbraw/zinc/55/92/29/846559229.db2.gz OVIZKNZDXIFOGX-KRWDZBQOSA-N 1 3 398.576 3.979 20 0 GHADHO CCc1ccc([C@@H](C)NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501045213 846571552 /nfs/dbraw/zinc/57/15/52/846571552.db2.gz LZABQCKAJOBKSM-LJQANCHMSA-N 1 3 394.563 3.670 20 0 GHADHO OC1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCN(Cc2ccccc2)CC1 ZINC000414553032 846599355 /nfs/dbraw/zinc/59/93/55/846599355.db2.gz SDIFVLPFZHBKEN-UHFFFAOYSA-N 1 3 394.437 3.544 20 0 GHADHO CN(CC(=O)NCCCC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501052371 846604548 /nfs/dbraw/zinc/60/45/48/846604548.db2.gz KCMJKAVKUQJNOC-UHFFFAOYSA-N 1 3 386.584 3.707 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000429133445 861707773 /nfs/dbraw/zinc/70/77/73/861707773.db2.gz HLADITMNWAHLES-HXUWFJFHSA-N 1 3 382.017 3.923 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000429133445 861707786 /nfs/dbraw/zinc/70/77/86/861707786.db2.gz HLADITMNWAHLES-HXUWFJFHSA-N 1 3 382.017 3.923 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501160967 846692333 /nfs/dbraw/zinc/69/23/33/846692333.db2.gz DBJJERWJRDQKSU-ZIFCJYIRSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501160967 846692337 /nfs/dbraw/zinc/69/23/37/846692337.db2.gz DBJJERWJRDQKSU-ZIFCJYIRSA-N 1 3 380.602 3.551 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000503118319 846813626 /nfs/dbraw/zinc/81/36/26/846813626.db2.gz PATNQGORXRSRGQ-WIYYLYMNSA-N 1 3 382.552 3.718 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000604079742 861722933 /nfs/dbraw/zinc/72/29/33/861722933.db2.gz AWYIOXHPDGIRHB-JOCHJYFZSA-N 1 3 386.584 3.606 20 0 GHADHO C[C@H]1C[C@H](CCNCc2c(C(F)(F)F)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000657416876 847113723 /nfs/dbraw/zinc/11/37/23/847113723.db2.gz YPOOINYJBYDZBK-RDJZCZTQSA-N 1 3 380.458 3.829 20 0 GHADHO C[C@H]1C[C@H](CCNCc2c(C(F)(F)F)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657416876 847113727 /nfs/dbraw/zinc/11/37/27/847113727.db2.gz YPOOINYJBYDZBK-RDJZCZTQSA-N 1 3 380.458 3.829 20 0 GHADHO C[C@@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1cccc(-n2cnnn2)c1 ZINC000125051670 847138725 /nfs/dbraw/zinc/13/87/25/847138725.db2.gz QRMKHHJNJPPKKA-LJQANCHMSA-N 1 3 390.535 3.889 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(CCOc3ccccc3C(F)(F)F)CC2)CC1 ZINC000420979305 847605740 /nfs/dbraw/zinc/60/57/40/847605740.db2.gz KJDAYTVKVMTMJP-UHFFFAOYSA-N 1 3 399.501 3.576 20 0 GHADHO CCN1CCC([N@H+]2CCCN(CCOc3ccccc3C(F)(F)F)CC2)CC1 ZINC000420979305 847605744 /nfs/dbraw/zinc/60/57/44/847605744.db2.gz KJDAYTVKVMTMJP-UHFFFAOYSA-N 1 3 399.501 3.576 20 0 GHADHO FC(F)Oc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422763752 847823794 /nfs/dbraw/zinc/82/37/94/847823794.db2.gz PEGMHMFIUNERFD-WNRNVDISSA-N 1 3 379.495 3.767 20 0 GHADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000422811812 847835357 /nfs/dbraw/zinc/83/53/57/847835357.db2.gz PNRODOPTPAJDBA-NDAONFMYSA-N 1 3 385.596 3.696 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)Oc1ccc(Br)cc1 ZINC000422792980 847838812 /nfs/dbraw/zinc/83/88/12/847838812.db2.gz FJVWUSRHXAUOQF-CHWSQXEVSA-N 1 3 378.314 3.729 20 0 GHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422881711 847867850 /nfs/dbraw/zinc/86/78/50/847867850.db2.gz OAMPVCQJTPFIFW-CVDCTZTESA-N 1 3 395.547 3.962 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423015480 847937875 /nfs/dbraw/zinc/93/78/75/847937875.db2.gz RDKVNMHRVMWDAZ-SVIJTADQSA-N 1 3 376.907 3.737 20 0 GHADHO Fc1cccc(OC(F)(F)F)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537533 848126182 /nfs/dbraw/zinc/12/61/82/848126182.db2.gz NWSPYGLYQLOOPN-UHFFFAOYSA-N 1 3 390.421 3.705 20 0 GHADHO COc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc(Cl)c1OC ZINC000657612005 848324937 /nfs/dbraw/zinc/32/49/37/848324937.db2.gz IGLPQAODUJPOOY-UHFFFAOYSA-N 1 3 389.927 3.754 20 0 GHADHO Cc1cccc(-c2n[nH]cc2C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657611964 848325380 /nfs/dbraw/zinc/32/53/80/848325380.db2.gz GKJIXBVFQVJTHB-UHFFFAOYSA-N 1 3 375.520 3.782 20 0 GHADHO c1c(C[NH2+]C2CCN(CC3CC3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000120973152 848672906 /nfs/dbraw/zinc/67/29/06/848672906.db2.gz UCQKEPMQJQRRRJ-UHFFFAOYSA-N 1 3 387.531 3.898 20 0 GHADHO CCC[NH+]1CCC(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604188182 861948201 /nfs/dbraw/zinc/94/82/01/861948201.db2.gz GYWMDHSOAVITKO-JOCHJYFZSA-N 1 3 386.584 3.635 20 0 GHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000583111372 849083497 /nfs/dbraw/zinc/08/34/97/849083497.db2.gz UOCHLFWIJQCYDG-UHFFFAOYSA-N 1 3 393.000 3.921 20 0 GHADHO Brc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCC2)s1 ZINC000423100767 849743638 /nfs/dbraw/zinc/74/36/38/849743638.db2.gz HKBKANPDYFCJOQ-SOUVJXGZSA-N 1 3 399.398 3.679 20 0 GHADHO C[NH+](C)C1CCN(CCNc2ccnc3cc(OC(F)(F)F)ccc32)CC1 ZINC000899874530 862059749 /nfs/dbraw/zinc/05/97/49/862059749.db2.gz ZAZYPNLCQRKVGZ-UHFFFAOYSA-N 1 3 382.430 3.571 20 0 GHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000472286023 849853698 /nfs/dbraw/zinc/85/36/98/849853698.db2.gz HJKPFEHFULAHRN-QHCPKHFHSA-N 1 3 395.547 3.872 20 0 GHADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](C)CCc2n[nH]c3ccccc32)cc1 ZINC000423326040 849867110 /nfs/dbraw/zinc/86/71/10/849867110.db2.gz JBNYQDNGOFYAHZ-BVZALQNUSA-N 1 3 378.520 3.628 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128303 849925434 /nfs/dbraw/zinc/92/54/34/849925434.db2.gz LMDQNIXJYCOEAZ-NHCUHLMSSA-N 1 3 390.547 3.525 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128303 849925436 /nfs/dbraw/zinc/92/54/36/849925436.db2.gz LMDQNIXJYCOEAZ-NHCUHLMSSA-N 1 3 390.547 3.525 20 0 GHADHO C[C@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000423647426 850006777 /nfs/dbraw/zinc/00/67/77/850006777.db2.gz QOWGCHMYDNJLMT-HNNXBMFYSA-N 1 3 393.453 3.929 20 0 GHADHO CC[NH+](CC)CCCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000514564154 850010665 /nfs/dbraw/zinc/01/06/65/850010665.db2.gz AICRBDDMUNDGCJ-GOSISDBHSA-N 1 3 380.602 3.552 20 0 GHADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000486755739 850058978 /nfs/dbraw/zinc/05/89/78/850058978.db2.gz VNCDXFRIEDXFFG-UHFFFAOYSA-N 1 3 381.520 3.865 20 0 GHADHO Cc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415003950 850280043 /nfs/dbraw/zinc/28/00/43/850280043.db2.gz NNMVHGDOZADUQA-HFSMHLIXSA-N 1 3 383.511 3.834 20 0 GHADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414793142 850512050 /nfs/dbraw/zinc/51/20/50/850512050.db2.gz DHAGDJPMYGJARC-DNVCBOLYSA-N 1 3 380.374 3.521 20 0 GHADHO COc1ccc(Cn2nc(C)c(CNCc3ccc([C@H](C)[NH3+])cc3)c2C)cc1 ZINC000414812662 850686261 /nfs/dbraw/zinc/68/62/61/850686261.db2.gz LFEKZXBYRQSLEZ-INIZCTEOSA-N 1 3 378.520 3.866 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000515301948 850892060 /nfs/dbraw/zinc/89/20/60/850892060.db2.gz VUSFQRYDNGAKSX-XXBNENTESA-N 1 3 391.559 3.794 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000436238503 851374737 /nfs/dbraw/zinc/37/47/37/851374737.db2.gz DIPMONACCJOGEX-DNQXCXABSA-N 1 3 391.559 3.938 20 0 GHADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000111241108 851578295 /nfs/dbraw/zinc/57/82/95/851578295.db2.gz PMPNIJCCFWQJSV-INIZCTEOSA-N 1 3 375.340 3.539 20 0 GHADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000111241108 851578297 /nfs/dbraw/zinc/57/82/97/851578297.db2.gz PMPNIJCCFWQJSV-INIZCTEOSA-N 1 3 375.340 3.539 20 0 GHADHO CCCCC1CCC(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000101993625 852077973 /nfs/dbraw/zinc/07/79/73/852077973.db2.gz LMIVNIYUVBBCAE-UHFFFAOYSA-N 1 3 392.632 3.841 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167982851 852132077 /nfs/dbraw/zinc/13/20/77/852132077.db2.gz CPQREDKBPWRDOA-YOFSQIOKSA-N 1 3 389.584 3.725 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167982851 852132081 /nfs/dbraw/zinc/13/20/81/852132081.db2.gz CPQREDKBPWRDOA-YOFSQIOKSA-N 1 3 389.584 3.725 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)CC2 ZINC001167982851 852132086 /nfs/dbraw/zinc/13/20/86/852132086.db2.gz CPQREDKBPWRDOA-YOFSQIOKSA-N 1 3 389.584 3.725 20 0 GHADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489677678 852526567 /nfs/dbraw/zinc/52/65/67/852526567.db2.gz LCSMSZUOBLSAHO-NRFANRHFSA-N 1 3 393.575 3.878 20 0 GHADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489677678 852526568 /nfs/dbraw/zinc/52/65/68/852526568.db2.gz LCSMSZUOBLSAHO-NRFANRHFSA-N 1 3 393.575 3.878 20 0 GHADHO C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167961483 852573851 /nfs/dbraw/zinc/57/38/51/852573851.db2.gz LYHCHJCAXHQFCF-NTHMGXEOSA-N 1 3 377.573 3.769 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455928102 862377985 /nfs/dbraw/zinc/37/79/85/862377985.db2.gz NWNUURMWXRPQPE-QFIPXVFZSA-N 1 3 398.526 3.970 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccccc2C[NH+](C)C)N(C)C)cc1 ZINC000489944956 852687895 /nfs/dbraw/zinc/68/78/95/852687895.db2.gz HHASYZQCKCSMIJ-JOCHJYFZSA-N 1 3 383.536 3.568 20 0 GHADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000507393051 852855654 /nfs/dbraw/zinc/85/56/54/852855654.db2.gz VSYROSZZOWZTPC-RTBURBONSA-N 1 3 392.613 3.552 20 0 GHADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000507393051 852855663 /nfs/dbraw/zinc/85/56/63/852855663.db2.gz VSYROSZZOWZTPC-RTBURBONSA-N 1 3 392.613 3.552 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506054995 853177082 /nfs/dbraw/zinc/17/70/82/853177082.db2.gz GMERDLPBHYMELH-ICSRJNTNSA-N 1 3 393.522 3.525 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506054995 853177084 /nfs/dbraw/zinc/17/70/84/853177084.db2.gz GMERDLPBHYMELH-ICSRJNTNSA-N 1 3 393.522 3.525 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC[C@@H]2C1 ZINC001167962279 853532450 /nfs/dbraw/zinc/53/24/50/853532450.db2.gz WCOGSOIVLYTKGC-ZYFSCKJDSA-N 1 3 389.584 3.627 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414996197 853596897 /nfs/dbraw/zinc/59/68/97/853596897.db2.gz GGSUFNMARFCRSB-HZUJVAHNSA-N 1 3 387.474 3.665 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520177973 853936243 /nfs/dbraw/zinc/93/62/43/853936243.db2.gz STUHCSMWHYZNHT-HXUWFJFHSA-N 1 3 381.520 3.608 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520177973 853936246 /nfs/dbraw/zinc/93/62/46/853936246.db2.gz STUHCSMWHYZNHT-HXUWFJFHSA-N 1 3 381.520 3.608 20 0 GHADHO c1cncc(OC[C@@]23CCC[C@@H]2C[N@@H+](C2C[C@H]4CC[C@@H](C2)N4CC2CC2)C3)c1 ZINC001167989335 854018356 /nfs/dbraw/zinc/01/83/56/854018356.db2.gz XOHPWOWDZGAESI-UVINLSLCSA-N 1 3 381.564 3.968 20 0 GHADHO c1cncc(OC[C@@]23CCC[C@@H]2C[N@H+](C2C[C@H]4CC[C@@H](C2)N4CC2CC2)C3)c1 ZINC001167989335 854018362 /nfs/dbraw/zinc/01/83/62/854018362.db2.gz XOHPWOWDZGAESI-UVINLSLCSA-N 1 3 381.564 3.968 20 0 GHADHO O=C1C[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993996 854427376 /nfs/dbraw/zinc/42/73/76/854427376.db2.gz VTJSCWZHLZWHFS-INXDJGNKSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993996 854427381 /nfs/dbraw/zinc/42/73/81/854427381.db2.gz VTJSCWZHLZWHFS-INXDJGNKSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993996 854427390 /nfs/dbraw/zinc/42/73/90/854427390.db2.gz VTJSCWZHLZWHFS-INXDJGNKSA-N 1 3 397.538 3.660 20 0 GHADHO O=C1C[C@@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993996 854427393 /nfs/dbraw/zinc/42/73/93/854427393.db2.gz VTJSCWZHLZWHFS-INXDJGNKSA-N 1 3 397.538 3.660 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C[C@@H]1C ZINC000458897205 854478314 /nfs/dbraw/zinc/47/83/14/854478314.db2.gz OZQLUEWUMLKLNC-XKGZKEIXSA-N 1 3 392.613 3.525 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C[C@@H]1C ZINC000458897205 854478316 /nfs/dbraw/zinc/47/83/16/854478316.db2.gz OZQLUEWUMLKLNC-XKGZKEIXSA-N 1 3 392.613 3.525 20 0 GHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000482021224 862615195 /nfs/dbraw/zinc/61/51/95/862615195.db2.gz LFCUNUMVRZBCKA-JOCHJYFZSA-N 1 3 383.536 3.690 20 0 GHADHO COc1ccc([C@@H]2C[C@@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)CCO2)cc1 ZINC001168615900 855009411 /nfs/dbraw/zinc/00/94/11/855009411.db2.gz PPPVVCDEAJBSLR-UPVQGACJSA-N 1 3 395.547 3.812 20 0 GHADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(N2CCCC2)n1 ZINC000572846901 855041013 /nfs/dbraw/zinc/04/10/13/855041013.db2.gz LKKNTXGDYZSHJR-OFNKIYASSA-N 1 3 378.564 3.990 20 0 GHADHO COc1ccc([C@@H]2C[C@@H](N3CCC([NH3+])(c4cccc(OC)c4)CC3)CCO2)cc1 ZINC001168616946 855066252 /nfs/dbraw/zinc/06/62/52/855066252.db2.gz OHBFWJHMSHIWEZ-REWPJTCUSA-N 1 3 396.531 3.874 20 0 GHADHO CC[NH+]1CCC(CCNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000465809541 856103838 /nfs/dbraw/zinc/10/38/38/856103838.db2.gz KDVWQNOSYDZLDO-JOCHJYFZSA-N 1 3 386.584 3.553 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccc3cc[nH]c3c2)[C@H]1c1cccs1 ZINC000905136559 856181993 /nfs/dbraw/zinc/18/19/93/856181993.db2.gz ZNWUUSMWNLLJIS-FGSXEWAUSA-N 1 3 399.560 3.642 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccc3cc[nH]c3c2)[C@H]1c1cccs1 ZINC000905136559 856182014 /nfs/dbraw/zinc/18/20/14/856182014.db2.gz ZNWUUSMWNLLJIS-FGSXEWAUSA-N 1 3 399.560 3.642 20 0 GHADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000520792942 857054795 /nfs/dbraw/zinc/05/47/95/857054795.db2.gz JFSXOXGPCDCATB-SFHVURJKSA-N 1 3 377.548 3.617 20 0 GHADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000520792942 857054808 /nfs/dbraw/zinc/05/48/08/857054808.db2.gz JFSXOXGPCDCATB-SFHVURJKSA-N 1 3 377.548 3.617 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000592850662 857109689 /nfs/dbraw/zinc/10/96/89/857109689.db2.gz JARUHSQUGDTZFM-ZWKOTPCHSA-N 1 3 387.490 3.791 20 0 GHADHO [NH3+]CCC[C@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)c1ccccc1 ZINC000669483769 857504516 /nfs/dbraw/zinc/50/45/16/857504516.db2.gz LZLGWAOXIFQNKC-XZOQPEGZSA-N 1 3 394.563 3.993 20 0 GHADHO CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000675580054 857513144 /nfs/dbraw/zinc/51/31/44/857513144.db2.gz RQDWOURRDPPXFE-QHCPKHFHSA-N 1 3 377.532 3.629 20 0 GHADHO C[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000521167555 857697963 /nfs/dbraw/zinc/69/79/63/857697963.db2.gz SQHRBTQZHNYNPJ-SFHVURJKSA-N 1 3 385.596 3.755 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000067452864 858032254 /nfs/dbraw/zinc/03/22/54/858032254.db2.gz HPBRBPLHBRHEOZ-HZPDHXFCSA-N 1 3 376.932 3.709 20 0 GHADHO Cc1nc(-c2cc([C@@H](C)[NH2+]CCN3CCN(C)C(C)(C)C3)cs2)cs1 ZINC000442865464 858184673 /nfs/dbraw/zinc/18/46/73/858184673.db2.gz FXTKMEXTBNHFIB-CQSZACIVSA-N 1 3 378.611 3.857 20 0 GHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OCc2ccccc2)c1 ZINC000442871331 858188677 /nfs/dbraw/zinc/18/86/77/858188677.db2.gz FQAPVWBAAARQQQ-FQEVSTJZSA-N 1 3 381.564 3.942 20 0 GHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442872549 858189617 /nfs/dbraw/zinc/18/96/17/858189617.db2.gz JSEJKMXRPBUQHZ-OAHLLOKOSA-N 1 3 390.572 3.934 20 0 GHADHO Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114749140 858198554 /nfs/dbraw/zinc/19/85/54/858198554.db2.gz UZCXEBOVEXMKNZ-WOJBJXKFSA-N 1 3 379.548 3.815 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466210514 858726021 /nfs/dbraw/zinc/72/60/21/858726021.db2.gz MQKABDJDZNIYAP-KCZVDYSFSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466210514 858726032 /nfs/dbraw/zinc/72/60/32/858726032.db2.gz MQKABDJDZNIYAP-KCZVDYSFSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCC(F)(F)CC1 ZINC000474061837 858753592 /nfs/dbraw/zinc/75/35/92/858753592.db2.gz DWDXWFVFAHAKRM-KRWDZBQOSA-N 1 3 393.522 3.816 20 0 GHADHO C[C@@H]1CC(NCCC(=O)N2CCc3ccccc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168019247 858767030 /nfs/dbraw/zinc/76/70/30/858767030.db2.gz HZDAROACMMQUQJ-WOJBJXKFSA-N 1 3 391.559 3.997 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000474075730 858792020 /nfs/dbraw/zinc/79/20/20/858792020.db2.gz WGXJCXXSOAGLCW-IEXUWNMDSA-N 1 3 394.559 3.890 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000474075730 858792029 /nfs/dbraw/zinc/79/20/29/858792029.db2.gz WGXJCXXSOAGLCW-IEXUWNMDSA-N 1 3 394.559 3.890 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000466284215 858980214 /nfs/dbraw/zinc/98/02/14/858980214.db2.gz ZHUBCNCGBDIDJS-AUSIDOKSSA-N 1 3 394.563 3.601 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000466284215 858980221 /nfs/dbraw/zinc/98/02/21/858980221.db2.gz ZHUBCNCGBDIDJS-AUSIDOKSSA-N 1 3 394.563 3.601 20 0 GHADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000443597158 859025959 /nfs/dbraw/zinc/02/59/59/859025959.db2.gz YMJPWUIPHQBFIB-RTBURBONSA-N 1 3 389.559 3.979 20 0 GHADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000522338331 859077834 /nfs/dbraw/zinc/07/78/34/859077834.db2.gz LUEBZEGGZBUUJQ-MOPGFXCFSA-N 1 3 392.613 3.551 20 0 GHADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000522338331 859077836 /nfs/dbraw/zinc/07/78/36/859077836.db2.gz LUEBZEGGZBUUJQ-MOPGFXCFSA-N 1 3 392.613 3.551 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509348147 859131484 /nfs/dbraw/zinc/13/14/84/859131484.db2.gz KTTWRUHDULMXLL-ZDXQCDESSA-N 1 3 384.612 3.536 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509348147 859131489 /nfs/dbraw/zinc/13/14/89/859131489.db2.gz KTTWRUHDULMXLL-ZDXQCDESSA-N 1 3 384.612 3.536 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3CCc3ccccc3)CC2)CC1 ZINC000568193377 859193852 /nfs/dbraw/zinc/19/38/52/859193852.db2.gz HQDKIRPHZAVQLF-XMMPIXPASA-N 1 3 397.607 3.807 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccccc3)C(C)(C)C)CC2)CC1 ZINC000051760643 859313555 /nfs/dbraw/zinc/31/35/55/859313555.db2.gz UZOPWJIHGZDBLV-OAQYLSRUSA-N 1 3 386.584 3.632 20 0 GHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)CC[NH2+]C(C)(C)C ZINC001129287705 859473127 /nfs/dbraw/zinc/47/31/27/859473127.db2.gz KRKXTBFIUDDDSU-JOCHJYFZSA-N 1 3 387.612 3.956 20 0 GHADHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117849192 859639042 /nfs/dbraw/zinc/63/90/42/859639042.db2.gz PNYADBYRNYMVJY-QFBILLFUSA-N 1 3 385.474 3.546 20 0 GHADHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117849192 859639049 /nfs/dbraw/zinc/63/90/49/859639049.db2.gz PNYADBYRNYMVJY-QFBILLFUSA-N 1 3 385.474 3.546 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000611286030 859682671 /nfs/dbraw/zinc/68/26/71/859682671.db2.gz CWAYMAFVVXFGOO-IBGZPJMESA-N 1 3 376.541 3.571 20 0 GHADHO C[C@H]1CC(N[C@H]2CCN(Cc3ccncc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032540 859781145 /nfs/dbraw/zinc/78/11/45/859781145.db2.gz HWJXKLHNYDTYRT-JTAQYXEDSA-N 1 3 378.564 3.687 20 0 GHADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390502 859886320 /nfs/dbraw/zinc/88/63/20/859886320.db2.gz NJQNSFPUUNBERD-OHUMZHCVSA-N 1 3 399.510 3.582 20 0 GHADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390502 859886327 /nfs/dbraw/zinc/88/63/27/859886327.db2.gz NJQNSFPUUNBERD-OHUMZHCVSA-N 1 3 399.510 3.582 20 0 GHADHO COc1ccc(OC)c([C@H](O)CNCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000727465759 860104096 /nfs/dbraw/zinc/10/40/96/860104096.db2.gz RQDHQZAADAXOEY-JOCHJYFZSA-N 1 3 384.520 3.513 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000116436070 860625634 /nfs/dbraw/zinc/62/56/34/860625634.db2.gz LTEWZWRPVBXJHQ-AUSIDOKSSA-N 1 3 394.563 3.814 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)CC2)C1 ZINC000532232691 881584903 /nfs/dbraw/zinc/58/49/03/881584903.db2.gz YCMLPXGOMGEUCL-CEYBMKEASA-N 1 3 399.623 3.502 20 0 GHADHO C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529470 861162327 /nfs/dbraw/zinc/16/23/27/861162327.db2.gz JULLFKZPQMQRQN-GOEBONIOSA-N 1 3 399.373 3.734 20 0 GHADHO C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000606622139 863740862 /nfs/dbraw/zinc/74/08/62/863740862.db2.gz UFFYZJNFHGZAFN-IEBWSBKVSA-N 1 3 392.613 3.551 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000103298665 863944208 /nfs/dbraw/zinc/94/42/08/863944208.db2.gz YIPZFGWFKKLMHG-IBGZPJMESA-N 1 3 392.613 3.552 20 0 GHADHO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000159151422 864047103 /nfs/dbraw/zinc/04/71/03/864047103.db2.gz QYNMVPBZHBAVNT-MRXNPFEDSA-N 1 3 388.943 3.736 20 0 GHADHO CC1CC[NH+]([C@@H](CNC(=O)c2cccc(CN(C)C)c2)c2ccccc2)CC1 ZINC000607384687 864329005 /nfs/dbraw/zinc/32/90/05/864329005.db2.gz SUARZOZNHQWSCG-QHCPKHFHSA-N 1 3 379.548 3.951 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](CC)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256002 864339517 /nfs/dbraw/zinc/33/95/17/864339517.db2.gz YBYREXUZRYLJFF-ZTCOLXNVSA-N 1 3 387.612 3.550 20 0 GHADHO CC(=O)N1CC[C@H](NCc2ccc(OC3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000621761826 864410863 /nfs/dbraw/zinc/41/08/63/864410863.db2.gz OBBYSASVDCWTIN-QHCPKHFHSA-N 1 3 393.531 3.747 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCCOc3ccc(C)cc32)c1 ZINC000163636479 864545249 /nfs/dbraw/zinc/54/52/49/864545249.db2.gz ZAGUEVQQJJEXAE-HSZRJFAPSA-N 1 3 398.547 3.956 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCCOc3ccc(C)cc32)c1 ZINC000163636479 864545259 /nfs/dbraw/zinc/54/52/59/864545259.db2.gz ZAGUEVQQJJEXAE-HSZRJFAPSA-N 1 3 398.547 3.956 20 0 GHADHO Cc1csc(N2CCC([NH2+]C[C@H]3CCN(CCc4ccccc4)C3)CC2)n1 ZINC000165299868 864661206 /nfs/dbraw/zinc/66/12/06/864661206.db2.gz IQFMBJMDEPIMKL-HXUWFJFHSA-N 1 3 384.593 3.575 20 0 GHADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000476545600 881844954 /nfs/dbraw/zinc/84/49/54/881844954.db2.gz WVVLVJYBMLERCS-LJQANCHMSA-N 1 3 392.613 3.840 20 0 GHADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000622751918 865266730 /nfs/dbraw/zinc/26/67/30/865266730.db2.gz PIQZZIGGZQVTFB-TZIWHRDSSA-N 1 3 387.543 3.561 20 0 GHADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000622751918 865266746 /nfs/dbraw/zinc/26/67/46/865266746.db2.gz PIQZZIGGZQVTFB-TZIWHRDSSA-N 1 3 387.543 3.561 20 0 GHADHO C[NH+](C)CCOC1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000537631799 881857019 /nfs/dbraw/zinc/85/70/19/881857019.db2.gz YMCHYEZOPOXVBH-UHFFFAOYSA-N 1 3 385.335 3.812 20 0 GHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000173427121 865806064 /nfs/dbraw/zinc/80/60/64/865806064.db2.gz GRGXEVRLUNQYPG-INIZCTEOSA-N 1 3 387.474 3.641 20 0 GHADHO COc1ccccc1[C@H](O)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131432 866247764 /nfs/dbraw/zinc/24/77/64/866247764.db2.gz BLOHSYNRYSZXLC-KZKAQZJJSA-N 1 3 380.532 3.619 20 0 GHADHO COc1ccccc1[C@H](O)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131432 866247778 /nfs/dbraw/zinc/24/77/78/866247778.db2.gz BLOHSYNRYSZXLC-KZKAQZJJSA-N 1 3 380.532 3.619 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCCc3ccc(Cl)cc32)c1 ZINC000534234125 866384750 /nfs/dbraw/zinc/38/47/50/866384750.db2.gz AIACMDLFZCORGU-NRFANRHFSA-N 1 3 385.939 3.799 20 0 GHADHO CC(C)N(C)CC(=O)Nc1cc(NC(=O)C[N@H+](C)C(C)C)cc(C(C)(C)C)c1 ZINC000456310680 866405459 /nfs/dbraw/zinc/40/54/59/866405459.db2.gz QXANPWLSWXYKHX-UHFFFAOYSA-N 1 3 390.572 3.542 20 0 GHADHO CC(C)N(C)CC(=O)Nc1cc(NC(=O)C[N@@H+](C)C(C)C)cc(C(C)(C)C)c1 ZINC000456310680 866405465 /nfs/dbraw/zinc/40/54/65/866405465.db2.gz QXANPWLSWXYKHX-UHFFFAOYSA-N 1 3 390.572 3.542 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000552917718 866490571 /nfs/dbraw/zinc/49/05/71/866490571.db2.gz HDVMCYZLAPHDBL-QFIPXVFZSA-N 1 3 387.543 3.686 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000523150679 866771584 /nfs/dbraw/zinc/77/15/84/866771584.db2.gz VKPLMDOPJRKTRL-YTFSRNRJSA-N 1 3 398.595 3.699 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000523150679 866771601 /nfs/dbraw/zinc/77/16/01/866771601.db2.gz VKPLMDOPJRKTRL-YTFSRNRJSA-N 1 3 398.595 3.699 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000154302247 867345155 /nfs/dbraw/zinc/34/51/55/867345155.db2.gz ZWDVYBZNBXUAHQ-CRAIPNDOSA-N 1 3 380.374 3.615 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463083 867807033 /nfs/dbraw/zinc/80/70/33/867807033.db2.gz IAZFYBIORHYGEV-ZJSXRUAMSA-N 1 3 377.532 3.592 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463083 867807046 /nfs/dbraw/zinc/80/70/46/867807046.db2.gz IAZFYBIORHYGEV-ZJSXRUAMSA-N 1 3 377.532 3.592 20 0 GHADHO CC(=O)NCCc1ccc([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444947 867813821 /nfs/dbraw/zinc/81/38/21/867813821.db2.gz KNFHDBFVWQWWJQ-AUSIDOKSSA-N 1 3 379.548 3.538 20 0 GHADHO CC(=O)NCCc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444947 867813829 /nfs/dbraw/zinc/81/38/29/867813829.db2.gz KNFHDBFVWQWWJQ-AUSIDOKSSA-N 1 3 379.548 3.538 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000553657147 867851659 /nfs/dbraw/zinc/85/16/59/867851659.db2.gz AEJWVEVBCLYXLG-FQEVSTJZSA-N 1 3 394.991 3.754 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000155704716 868044011 /nfs/dbraw/zinc/04/40/11/868044011.db2.gz JWYLADJZUMZVDH-UONOGXRCSA-N 1 3 375.891 3.618 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)c1ccco1 ZINC000857256469 882147720 /nfs/dbraw/zinc/14/77/20/882147720.db2.gz JBJFBAHOUAMUAG-WMQCIHAUSA-N 1 3 383.536 3.948 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857256469 882147731 /nfs/dbraw/zinc/14/77/31/882147731.db2.gz JBJFBAHOUAMUAG-WMQCIHAUSA-N 1 3 383.536 3.948 20 0 GHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000535077025 868114667 /nfs/dbraw/zinc/11/46/67/868114667.db2.gz GKTONXNFCHFBCW-UHFFFAOYSA-N 1 3 399.501 3.535 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000535077025 868114695 /nfs/dbraw/zinc/11/46/95/868114695.db2.gz GKTONXNFCHFBCW-UHFFFAOYSA-N 1 3 399.501 3.535 20 0 GHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000156924020 868503165 /nfs/dbraw/zinc/50/31/65/868503165.db2.gz URNFEPTXWPDZMO-JXFKEZNVSA-N 1 3 397.588 3.785 20 0 GHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000156924020 868503180 /nfs/dbraw/zinc/50/31/80/868503180.db2.gz URNFEPTXWPDZMO-JXFKEZNVSA-N 1 3 397.588 3.785 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000535397659 868687964 /nfs/dbraw/zinc/68/79/64/868687964.db2.gz HKCZUBYFKDJXBI-XZOQPEGZSA-N 1 3 394.563 3.773 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000554086756 868728351 /nfs/dbraw/zinc/72/83/51/868728351.db2.gz PJEGWIBKXPATCP-QQURRQIPSA-N 1 3 384.951 3.916 20 0 GHADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000554086756 868728354 /nfs/dbraw/zinc/72/83/54/868728354.db2.gz PJEGWIBKXPATCP-QQURRQIPSA-N 1 3 384.951 3.916 20 0 GHADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000554086756 868728359 /nfs/dbraw/zinc/72/83/59/868728359.db2.gz PJEGWIBKXPATCP-QQURRQIPSA-N 1 3 384.951 3.916 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)N2CCCC2)cc1 ZINC000158120821 868865363 /nfs/dbraw/zinc/86/53/63/868865363.db2.gz XNENWPJHCQRENQ-DHIUTWEWSA-N 1 3 398.595 3.792 20 0 GHADHO COc1ccc(C[NH+]2CCC(CNCc3nccn3-c3ccccc3)CC2)cc1 ZINC000190905516 882301033 /nfs/dbraw/zinc/30/10/33/882301033.db2.gz XQVDRWTXWUMSHU-UHFFFAOYSA-N 1 3 390.531 3.883 20 0 GHADHO CCc1ccc(-c2ccc(C[NH2+]Cc3ccc(N4CCN(C)CC4)nc3)o2)cc1 ZINC000524718922 869489944 /nfs/dbraw/zinc/48/99/44/869489944.db2.gz BZFXHDDDEQFWFD-UHFFFAOYSA-N 1 3 390.531 3.946 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccsc1 ZINC000121938856 882325237 /nfs/dbraw/zinc/32/52/37/882325237.db2.gz QUMXUXIUAQIJMH-HXUWFJFHSA-N 1 3 388.581 3.692 20 0 GHADHO Cc1cc(C)cc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247965471 870247453 /nfs/dbraw/zinc/24/74/53/870247453.db2.gz GTLKCZPCZPVMMS-SIKLNZKXSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1cc(C)cc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247965471 870247468 /nfs/dbraw/zinc/24/74/68/870247468.db2.gz GTLKCZPCZPVMMS-SIKLNZKXSA-N 1 3 379.548 3.852 20 0 GHADHO CC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000540162909 870627452 /nfs/dbraw/zinc/62/74/52/870627452.db2.gz LKBHJMZFPWIMFN-FHWLQOOXSA-N 1 3 381.358 3.868 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@H]3O)CC1)CCS2 ZINC000248809495 870645878 /nfs/dbraw/zinc/64/58/78/870645878.db2.gz HJIKSFYZDKAHAD-HSALFYBXSA-N 1 3 376.566 3.590 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463138035 870990853 /nfs/dbraw/zinc/99/08/53/870990853.db2.gz NXXBSVYOFFHDJG-ZODMCCGTSA-N 1 3 393.575 3.530 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000463138035 870990859 /nfs/dbraw/zinc/99/08/59/870990859.db2.gz NXXBSVYOFFHDJG-ZODMCCGTSA-N 1 3 393.575 3.530 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000538983456 871047029 /nfs/dbraw/zinc/04/70/29/871047029.db2.gz AJMBWYKVIFGLDI-DYESRHJHSA-N 1 3 389.515 3.750 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000538983456 871047045 /nfs/dbraw/zinc/04/70/45/871047045.db2.gz AJMBWYKVIFGLDI-DYESRHJHSA-N 1 3 389.515 3.750 20 0 GHADHO CN(C)CCN(Cc1ccco1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000447238577 871226164 /nfs/dbraw/zinc/22/61/64/871226164.db2.gz UFBZPLQPBPUMCZ-UHFFFAOYSA-N 1 3 390.572 3.542 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000539071136 871259330 /nfs/dbraw/zinc/25/93/30/871259330.db2.gz UTBOTGWORRFNNS-OWCLPIDISA-N 1 3 399.373 3.998 20 0 GHADHO CCN(CC)C(=O)C[C@H](C)N1CCC([NH3+])(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001169453160 871514735 /nfs/dbraw/zinc/51/47/35/871514735.db2.gz WEHLMJHLNFCHOL-INIZCTEOSA-N 1 3 399.501 3.688 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000552034575 871659120 /nfs/dbraw/zinc/65/91/20/871659120.db2.gz GUSOGJWRXWUCAM-SGKWCMOWSA-N 1 3 382.548 3.711 20 0 GHADHO COC(=O)c1occc1CNCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000540601743 871677009 /nfs/dbraw/zinc/67/70/09/871677009.db2.gz LGSUDODIEPNPEE-UHFFFAOYSA-N 1 3 376.884 3.721 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NCCOc1ncccc1Cl)c1ccccc1O2 ZINC000539394547 871848495 /nfs/dbraw/zinc/84/84/95/871848495.db2.gz PPDJPQMQSPGSJA-GOSISDBHSA-N 1 3 387.911 3.692 20 0 GHADHO O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579897 871926192 /nfs/dbraw/zinc/92/61/92/871926192.db2.gz MHTPSRSJGQQTSM-KIHHCIJBSA-N 1 3 389.543 3.573 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000552063163 871964395 /nfs/dbraw/zinc/96/43/95/871964395.db2.gz QTVHUYMRWGVNJY-KIHHCIJBSA-N 1 3 398.591 3.995 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000618942628 872184427 /nfs/dbraw/zinc/18/44/27/872184427.db2.gz MKNWOCAVYLBNEK-BGYRXZFFSA-N 1 3 388.600 3.516 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000618942628 872184433 /nfs/dbraw/zinc/18/44/33/872184433.db2.gz MKNWOCAVYLBNEK-BGYRXZFFSA-N 1 3 388.600 3.516 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)CC1 ZINC000763515691 872230423 /nfs/dbraw/zinc/23/04/23/872230423.db2.gz FVADFYBGWOEKNN-GBXCKJPGSA-N 1 3 381.564 3.820 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000540983970 872673157 /nfs/dbraw/zinc/67/31/57/872673157.db2.gz NKLUYBKMJQBGLD-XMSQKQJNSA-N 1 3 397.563 3.696 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000448216246 873022718 /nfs/dbraw/zinc/02/27/18/873022718.db2.gz ATNFEZLVBALMOW-UYAOXDASSA-N 1 3 394.629 3.798 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000448216246 873022738 /nfs/dbraw/zinc/02/27/38/873022738.db2.gz ATNFEZLVBALMOW-UYAOXDASSA-N 1 3 394.629 3.798 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)ccc1OC ZINC000183026110 873129129 /nfs/dbraw/zinc/12/91/29/873129129.db2.gz XFXQJFDCASZHNF-WIYYLYMNSA-N 1 3 399.583 3.590 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccnn1-c1ccccc1 ZINC000448339790 873223901 /nfs/dbraw/zinc/22/39/01/873223901.db2.gz RJFRKEHCLOGPTQ-UHFFFAOYSA-N 1 3 395.595 3.500 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000768927048 873697582 /nfs/dbraw/zinc/69/75/82/873697582.db2.gz PNIODQVIPFUSQZ-UHFFFAOYSA-N 1 3 376.545 3.981 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000768927048 873697588 /nfs/dbraw/zinc/69/75/88/873697588.db2.gz PNIODQVIPFUSQZ-UHFFFAOYSA-N 1 3 376.545 3.981 20 0 GHADHO CC[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000760161433 882749634 /nfs/dbraw/zinc/74/96/34/882749634.db2.gz VCLMVDJQLBRAIA-XLIONFOSSA-N 1 3 375.557 3.585 20 0 GHADHO CC[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000760161432 882750204 /nfs/dbraw/zinc/75/02/04/882750204.db2.gz VCLMVDJQLBRAIA-PXNSSMCTSA-N 1 3 375.557 3.585 20 0 GHADHO c1coc([C@@H](NCCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)c1 ZINC000541545425 873804917 /nfs/dbraw/zinc/80/49/17/873804917.db2.gz FKAAUSMGEKSZMJ-QHCPKHFHSA-N 1 3 376.504 3.566 20 0 GHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541663701 874043661 /nfs/dbraw/zinc/04/36/61/874043661.db2.gz WVIAPZQQEQCGBL-KRWDZBQOSA-N 1 3 399.501 3.996 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(Cc3ccccc3OC3CCCC3)CC2)CC1 ZINC000541759424 874222549 /nfs/dbraw/zinc/22/25/49/874222549.db2.gz PSTLFXNVGZJACV-UHFFFAOYSA-N 1 3 385.596 3.858 20 0 GHADHO COCCOc1ccc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000449080592 874463875 /nfs/dbraw/zinc/46/38/75/874463875.db2.gz XMHODLLLPDRVOU-HXUWFJFHSA-N 1 3 382.548 3.897 20 0 GHADHO CC(C)[C@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913744 874514529 /nfs/dbraw/zinc/51/45/29/874514529.db2.gz WNWFTYNXYOFKIW-OALUTQOASA-N 1 3 383.939 3.709 20 0 GHADHO CC(C)[C@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913744 874514544 /nfs/dbraw/zinc/51/45/44/874514544.db2.gz WNWFTYNXYOFKIW-OALUTQOASA-N 1 3 383.939 3.709 20 0 GHADHO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000464841898 874613503 /nfs/dbraw/zinc/61/35/03/874613503.db2.gz YXMOUVQIGPPZFL-OAQYLSRUSA-N 1 3 393.531 3.672 20 0 GHADHO CC(=O)c1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000464841898 874613506 /nfs/dbraw/zinc/61/35/06/874613506.db2.gz YXMOUVQIGPPZFL-OAQYLSRUSA-N 1 3 393.531 3.672 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000449339183 874757841 /nfs/dbraw/zinc/75/78/41/874757841.db2.gz XHUHUXLAPREGHX-IBGZPJMESA-N 1 3 389.543 3.724 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000537650634 882863648 /nfs/dbraw/zinc/86/36/48/882863648.db2.gz PCEKBPQIGQSQPE-UHFFFAOYSA-N 1 3 388.531 3.582 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000537650634 882863666 /nfs/dbraw/zinc/86/36/66/882863666.db2.gz PCEKBPQIGQSQPE-UHFFFAOYSA-N 1 3 388.531 3.582 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cncc(Br)c1 ZINC000542257215 875263719 /nfs/dbraw/zinc/26/37/19/875263719.db2.gz JPZZJZGFHSDPDM-UHFFFAOYSA-N 1 3 389.341 3.978 20 0 GHADHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C[C@@H]2CC=CCC2)C3)nc1 ZINC001201412258 875672860 /nfs/dbraw/zinc/67/28/60/875672860.db2.gz VFTPTCHEHXPODT-PFATUAPWSA-N 1 3 395.591 3.988 20 0 GHADHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C[C@@H]2CC=CCC2)C3)nc1 ZINC001201412258 875672867 /nfs/dbraw/zinc/67/28/67/875672867.db2.gz VFTPTCHEHXPODT-PFATUAPWSA-N 1 3 395.591 3.988 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000449966733 875716491 /nfs/dbraw/zinc/71/64/91/875716491.db2.gz RJBNODNKMUQNKM-YADHBBJMSA-N 1 3 383.580 3.637 20 0 GHADHO COc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC000529261253 875910066 /nfs/dbraw/zinc/91/00/66/875910066.db2.gz MLRGFMUFZGQPSD-UHFFFAOYSA-N 1 3 396.535 3.529 20 0 GHADHO Fc1c(Br)ccc(CNC2CCN(c3cc[nH+]cc3)CC2)c1F ZINC000529664785 876486554 /nfs/dbraw/zinc/48/65/54/876486554.db2.gz UCJCIMJCFQRUBP-UHFFFAOYSA-N 1 3 382.252 3.881 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2C1 ZINC000850029417 876615241 /nfs/dbraw/zinc/61/52/41/876615241.db2.gz IIOWCEHASWPRDT-SFHVURJKSA-N 1 3 385.552 3.554 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cccc2C1 ZINC000850029105 876615402 /nfs/dbraw/zinc/61/54/02/876615402.db2.gz GEJAVRYSAHHMAM-KRWDZBQOSA-N 1 3 385.552 3.554 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H](c3ccccc3)C(C)C)cc2)CC1 ZINC000007255794 876662210 /nfs/dbraw/zinc/66/22/10/876662210.db2.gz SAEMPOSUQUNGTO-DEOSSOPVSA-N 1 3 394.563 3.754 20 0 GHADHO CCOc1cc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1OC ZINC000537660895 883059751 /nfs/dbraw/zinc/05/97/51/883059751.db2.gz JJZJDRIWQLGFLO-RTBURBONSA-N 1 3 390.568 3.805 20 0 GHADHO CCOc1cc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1OC ZINC000537660895 883059767 /nfs/dbraw/zinc/05/97/67/883059767.db2.gz JJZJDRIWQLGFLO-RTBURBONSA-N 1 3 390.568 3.805 20 0 GHADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3c(C)cnc4c(C)cccc43)C2)CC1 ZINC000450772114 876866675 /nfs/dbraw/zinc/86/66/75/876866675.db2.gz KNYZHPICFWSUKF-OAQYLSRUSA-N 1 3 394.563 3.622 20 0 GHADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3c(C)cnc4c(C)cccc43)C2)CC1 ZINC000450772114 876866688 /nfs/dbraw/zinc/86/66/88/876866688.db2.gz KNYZHPICFWSUKF-OAQYLSRUSA-N 1 3 394.563 3.622 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786783732 876937710 /nfs/dbraw/zinc/93/77/10/876937710.db2.gz OMLJWRWBEGTTAK-GOSISDBHSA-N 1 3 380.536 3.909 20 0 GHADHO COC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C1CCOCC1 ZINC000850492537 876970333 /nfs/dbraw/zinc/97/03/33/876970333.db2.gz CCCKIFPWMXFJQC-XMSQKQJNSA-N 1 3 390.568 3.773 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816429 876971848 /nfs/dbraw/zinc/97/18/48/876971848.db2.gz VOCGLFXACFNCLA-FPOVZHCZSA-N 1 3 392.547 3.779 20 0 GHADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816429 876971858 /nfs/dbraw/zinc/97/18/58/876971858.db2.gz VOCGLFXACFNCLA-FPOVZHCZSA-N 1 3 392.547 3.779 20 0 GHADHO Cc1c([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509645 876981883 /nfs/dbraw/zinc/98/18/83/876981883.db2.gz SJHYMPFREWNTDB-FDDCHVKYSA-N 1 3 390.531 3.598 20 0 GHADHO Cc1c([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509645 876981888 /nfs/dbraw/zinc/98/18/88/876981888.db2.gz SJHYMPFREWNTDB-FDDCHVKYSA-N 1 3 390.531 3.598 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000786907285 877021001 /nfs/dbraw/zinc/02/10/01/877021001.db2.gz VSKZEKOWNMTDJV-JQVVWYNYSA-N 1 3 392.547 3.777 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000786907285 877021015 /nfs/dbraw/zinc/02/10/15/877021015.db2.gz VSKZEKOWNMTDJV-JQVVWYNYSA-N 1 3 392.547 3.777 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)ccc1OC ZINC000850561937 877028132 /nfs/dbraw/zinc/02/81/32/877028132.db2.gz LROXQAHJWIIAAJ-MBSDFSHPSA-N 1 3 392.584 3.755 20 0 GHADHO C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850580465 877053308 /nfs/dbraw/zinc/05/33/08/877053308.db2.gz NENAKVHIGJAPMW-YYFZDKIDSA-N 1 3 378.438 3.638 20 0 GHADHO COc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1OCCC(C)C ZINC000530248113 877364590 /nfs/dbraw/zinc/36/45/90/877364590.db2.gz GETJZKWTCIFGDN-OAQYLSRUSA-N 1 3 390.568 3.711 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995266 877424015 /nfs/dbraw/zinc/42/40/15/877424015.db2.gz IVFYWKLOFONDJH-UKRRQHHQSA-N 1 3 385.430 3.567 20 0 GHADHO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000642642968 912243043 /nfs/dbraw/zinc/24/30/43/912243043.db2.gz KOHRTGOGCWDSRF-INIZCTEOSA-N 1 3 387.351 3.541 20 0 GHADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066411 912259075 /nfs/dbraw/zinc/25/90/75/912259075.db2.gz ZCDUDIFICZOVBA-MOPGFXCFSA-N 1 3 397.604 3.503 20 0 GHADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066411 912259098 /nfs/dbraw/zinc/25/90/98/912259098.db2.gz ZCDUDIFICZOVBA-MOPGFXCFSA-N 1 3 397.604 3.503 20 0 GHADHO C[C@@H](NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccc(=O)[nH]n1 ZINC000285463306 912299577 /nfs/dbraw/zinc/29/95/77/912299577.db2.gz AJLBVVZIISGQTF-GOSISDBHSA-N 1 3 388.515 3.884 20 0 GHADHO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000530572658 878092108 /nfs/dbraw/zinc/09/21/08/878092108.db2.gz OZIPSOYWTHPBJK-UHFFFAOYSA-N 1 3 376.460 3.570 20 0 GHADHO CCCN1CCC([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000537861964 878410310 /nfs/dbraw/zinc/41/03/10/878410310.db2.gz UAIBAZIXFDJSMP-UHFFFAOYSA-N 1 3 387.597 3.501 20 0 GHADHO CCCN1CCC([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000537861964 878410318 /nfs/dbraw/zinc/41/03/18/878410318.db2.gz UAIBAZIXFDJSMP-UHFFFAOYSA-N 1 3 387.597 3.501 20 0 GHADHO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H](n4cc(CN)nn4)C3)ccc21 ZINC000667041155 878584489 /nfs/dbraw/zinc/58/44/89/878584489.db2.gz LNLFBHIBCZXLFQ-IBGZPJMESA-N 1 3 388.519 3.702 20 0 GHADHO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@H](n4cc(CN)nn4)C3)ccc21 ZINC000667041155 878584501 /nfs/dbraw/zinc/58/45/01/878584501.db2.gz LNLFBHIBCZXLFQ-IBGZPJMESA-N 1 3 388.519 3.702 20 0 GHADHO CN(C)Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000616267796 878733905 /nfs/dbraw/zinc/73/39/05/878733905.db2.gz VIVKUSGKOCEFFD-FQEVSTJZSA-N 1 3 383.511 3.781 20 0 GHADHO CN(C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000616267796 878733918 /nfs/dbraw/zinc/73/39/18/878733918.db2.gz VIVKUSGKOCEFFD-FQEVSTJZSA-N 1 3 383.511 3.781 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)c(C)c2)CC1 ZINC000177625256 878782862 /nfs/dbraw/zinc/78/28/62/878782862.db2.gz KNXDFMXWPPROOK-HXUWFJFHSA-N 1 3 398.595 3.730 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)c(C)c2)CC1 ZINC000177625256 878782877 /nfs/dbraw/zinc/78/28/77/878782877.db2.gz KNXDFMXWPPROOK-HXUWFJFHSA-N 1 3 398.595 3.730 20 0 GHADHO O[C@@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1c(F)cccc1F ZINC000853120254 878827305 /nfs/dbraw/zinc/82/73/05/878827305.db2.gz JBOBUOLLEPZCHP-RXVVDRJESA-N 1 3 386.486 3.890 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001183282655 912393919 /nfs/dbraw/zinc/39/39/19/912393919.db2.gz WEPFNOUEKDTGOD-AZUAARDMSA-N 1 3 389.584 3.895 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000246351724 879445913 /nfs/dbraw/zinc/44/59/13/879445913.db2.gz HSNZFJTXIXMWQD-YTFSRNRJSA-N 1 3 384.564 3.747 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246374754 879474168 /nfs/dbraw/zinc/47/41/68/879474168.db2.gz MDQGJNBLIWLKGF-RZUBCFFCSA-N 1 3 386.584 3.585 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246374754 879474187 /nfs/dbraw/zinc/47/41/87/879474187.db2.gz MDQGJNBLIWLKGF-RZUBCFFCSA-N 1 3 386.584 3.585 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000246554724 879678639 /nfs/dbraw/zinc/67/86/39/879678639.db2.gz REYSJUHGNWTOSB-WTIAFYNJSA-N 1 3 394.563 3.642 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000246554724 879678646 /nfs/dbraw/zinc/67/86/46/879678646.db2.gz REYSJUHGNWTOSB-WTIAFYNJSA-N 1 3 394.563 3.642 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000494068284 879890341 /nfs/dbraw/zinc/89/03/41/879890341.db2.gz GEQSHQDBQDQTCF-YKSBVNFPSA-N 1 3 391.559 3.678 20 0 GHADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183156827 880064696 /nfs/dbraw/zinc/06/46/96/880064696.db2.gz UIKQBMWXFJUJDQ-YFNKSVMNSA-N 1 3 380.580 3.860 20 0 GHADHO C[NH+]1CCC(CN2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)CC1 ZINC001183480355 912570710 /nfs/dbraw/zinc/57/07/10/912570710.db2.gz ALKZMIWJYJGTBE-UHFFFAOYSA-N 1 3 375.513 3.570 20 0 GHADHO C[C@@H]1C[C@@H](NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)c2nccn21 ZINC000453164388 880563141 /nfs/dbraw/zinc/56/31/41/880563141.db2.gz NVVCUMCKQLLVFY-JPAWQOSXSA-N 1 3 382.552 3.688 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCN(c4ccccn4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453172310 880575849 /nfs/dbraw/zinc/57/58/49/880575849.db2.gz MUQVVKHSIZGFMQ-BXXSPATCSA-N 1 3 376.548 3.693 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCN(c4ccccn4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453172310 880575852 /nfs/dbraw/zinc/57/58/52/880575852.db2.gz MUQVVKHSIZGFMQ-BXXSPATCSA-N 1 3 376.548 3.693 20 0 GHADHO CCSc1cccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000185525933 880609938 /nfs/dbraw/zinc/60/99/38/880609938.db2.gz OWJKYYDTCLGFKP-OAQYLSRUSA-N 1 3 397.588 3.786 20 0 GHADHO CCSc1cccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000185525933 880609942 /nfs/dbraw/zinc/60/99/42/880609942.db2.gz OWJKYYDTCLGFKP-OAQYLSRUSA-N 1 3 397.588 3.786 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCCCN(C)C2CC2)cc1 ZINC000453390097 880886069 /nfs/dbraw/zinc/88/60/69/880886069.db2.gz CXARRVGNOBANIW-RTWAWAEBSA-N 1 3 378.582 3.544 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310151 912683879 /nfs/dbraw/zinc/68/38/79/912683879.db2.gz XBWXEXAIILXFBQ-HZPDHXFCSA-N 1 3 385.533 3.642 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310151 912683896 /nfs/dbraw/zinc/68/38/96/912683896.db2.gz XBWXEXAIILXFBQ-HZPDHXFCSA-N 1 3 385.533 3.642 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455859111 884022564 /nfs/dbraw/zinc/02/25/64/884022564.db2.gz POBFUPPJGNGFRA-VSDWSMLSSA-N 1 3 392.547 3.878 20 0 GHADHO CN(CC(=O)Nc1ccc(F)c(Cl)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130108259 884183020 /nfs/dbraw/zinc/18/30/20/884183020.db2.gz GPAXYCRJEHIQEF-UHFFFAOYSA-N 1 3 390.890 3.661 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073458971 884398519 /nfs/dbraw/zinc/39/85/19/884398519.db2.gz WIVWPGPLYPAZFP-QHCPKHFHSA-N 1 3 377.532 3.849 20 0 GHADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)C1(C)C ZINC000262794143 884513886 /nfs/dbraw/zinc/51/38/86/884513886.db2.gz PDIVXTIAKXUXAY-GEQKSPFYSA-N 1 3 389.584 3.545 20 0 GHADHO CC[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)N1CCc2ccccc2C1 ZINC000044277031 884812171 /nfs/dbraw/zinc/81/21/71/884812171.db2.gz CBJXYWZKMTVPMV-JOCHJYFZSA-N 1 3 380.536 3.707 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3CN(C)C)cc2)CC1 ZINC000498567127 884888576 /nfs/dbraw/zinc/88/85/76/884888576.db2.gz PPYVSRVULMRKFQ-UHFFFAOYSA-N 1 3 379.548 3.910 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncc4sccc4n3)c3ccccc23)CC1 ZINC001170522324 885385336 /nfs/dbraw/zinc/38/53/36/885385336.db2.gz IYWDXVGLCRNLSR-UHFFFAOYSA-N 1 3 377.517 3.601 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncc4ccsc4n3)c3ccccc23)CC1 ZINC001170524173 885439920 /nfs/dbraw/zinc/43/99/20/885439920.db2.gz GRSPPWZWZDLOSI-UHFFFAOYSA-N 1 3 377.517 3.601 20 0 GHADHO Cc1ccc2nc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)ccc2n1 ZINC001170524265 885440185 /nfs/dbraw/zinc/44/01/85/885440185.db2.gz IWFHFGKLXNKEJA-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO Cc1csc2c1ncnc2-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170524855 885453191 /nfs/dbraw/zinc/45/31/91/885453191.db2.gz NRKJNYLMJOPICZ-UHFFFAOYSA-N 1 3 391.544 3.909 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN1CCC(C)CC1 ZINC000532455006 885526843 /nfs/dbraw/zinc/52/68/43/885526843.db2.gz RBTCSWRAZAHAIN-GOSISDBHSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[NH+]1CCC(C)CC1 ZINC000532455006 885526861 /nfs/dbraw/zinc/52/68/61/885526861.db2.gz RBTCSWRAZAHAIN-GOSISDBHSA-N 1 3 379.976 3.789 20 0 GHADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC001275283021 912947924 /nfs/dbraw/zinc/94/79/24/912947924.db2.gz XYNDBSBUFAUBTF-HXUWFJFHSA-N 1 3 398.378 3.760 20 0 GHADHO COCc1cc(OC)ccc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170527830 885563638 /nfs/dbraw/zinc/56/36/38/885563638.db2.gz ASYGREMOBZDFGB-UHFFFAOYSA-N 1 3 393.531 3.751 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCCNc2cccc(Br)c2)[C@@H](C)C1 ZINC000495420384 885748010 /nfs/dbraw/zinc/74/80/10/885748010.db2.gz HMYRUJIBDMDSHT-QFBILLFUSA-N 1 3 398.389 3.588 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCCNc2cccc(Br)c2)[C@@H](C)C1 ZINC000495420384 885748017 /nfs/dbraw/zinc/74/80/17/885748017.db2.gz HMYRUJIBDMDSHT-QFBILLFUSA-N 1 3 398.389 3.588 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](c3cccs3)C3CC3)cc2)CC1 ZINC000809931617 887983087 /nfs/dbraw/zinc/98/30/87/887983087.db2.gz JFKFQYPQSJCNRI-JOCHJYFZSA-N 1 3 398.576 3.569 20 0 GHADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952070 888018640 /nfs/dbraw/zinc/01/86/40/888018640.db2.gz OUZRCIFBRNNHDV-VAMGGRTRSA-N 1 3 381.605 3.981 20 0 GHADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952070 888018660 /nfs/dbraw/zinc/01/86/60/888018660.db2.gz OUZRCIFBRNNHDV-VAMGGRTRSA-N 1 3 381.605 3.981 20 0 GHADHO CC1CCN([C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)c2cccs2)CC1 ZINC000543716299 888052863 /nfs/dbraw/zinc/05/28/63/888052863.db2.gz VUXCDOKMHKSOAN-IBGZPJMESA-N 1 3 386.565 3.559 20 0 GHADHO O[C@H](CNc1[nH+]ccc2c1CCN2)CN(Cc1ccccc1)Cc1ccccc1 ZINC001170595943 888143464 /nfs/dbraw/zinc/14/34/64/888143464.db2.gz SVFVDECBHJOKNR-OAQYLSRUSA-N 1 3 388.515 3.525 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cnc2ccsc2c1 ZINC000397647942 888232621 /nfs/dbraw/zinc/23/26/21/888232621.db2.gz VPVNQFUZQYVVDD-QGZVFWFLSA-N 1 3 381.545 3.974 20 0 GHADHO c1csc([C@@H](NCCC2CC[NH+](Cc3ccccc3)CC2)c2nnc[nH]2)c1 ZINC000866470094 888895770 /nfs/dbraw/zinc/89/57/70/888895770.db2.gz PBPAELMRYRETMF-HXUWFJFHSA-N 1 3 381.549 3.848 20 0 GHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532764875 888909131 /nfs/dbraw/zinc/90/91/31/888909131.db2.gz ZDMWNFBVYDBKQN-VAMGGRTRSA-N 1 3 397.563 3.838 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000465530363 889253989 /nfs/dbraw/zinc/25/39/89/889253989.db2.gz ZGKFYCZOSCZOKZ-IEBWSBKVSA-N 1 3 380.602 3.504 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000465530363 889253997 /nfs/dbraw/zinc/25/39/97/889253997.db2.gz ZGKFYCZOSCZOKZ-IEBWSBKVSA-N 1 3 380.602 3.504 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000644530609 913345047 /nfs/dbraw/zinc/34/50/47/913345047.db2.gz KPMPLAFLOZMFKJ-GOTSBHOMSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644530609 913345055 /nfs/dbraw/zinc/34/50/55/913345055.db2.gz KPMPLAFLOZMFKJ-GOTSBHOMSA-N 1 3 382.548 3.545 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000126706544 890656906 /nfs/dbraw/zinc/65/69/06/890656906.db2.gz BIXCNIHCHOYUBB-HUUCEWRRSA-N 1 3 386.353 3.512 20 0 GHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@@]23CC[NH2+][C@@H]2COCC3)cc1 ZINC001170681667 890764818 /nfs/dbraw/zinc/76/48/18/890764818.db2.gz UHCZJVLZFXIOKL-YJGRUCBDSA-N 1 3 388.515 3.579 20 0 GHADHO CCO[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000813881347 892064706 /nfs/dbraw/zinc/06/47/06/892064706.db2.gz OUHLYUAIFSQQTJ-OXTAILBZSA-N 1 3 384.564 3.888 20 0 GHADHO CCO[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000813881347 892064722 /nfs/dbraw/zinc/06/47/22/892064722.db2.gz OUHLYUAIFSQQTJ-OXTAILBZSA-N 1 3 384.564 3.888 20 0 GHADHO O=C(NC[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261794669 892119615 /nfs/dbraw/zinc/11/96/15/892119615.db2.gz IMTIIVKJPXZFIW-NFBKMPQASA-N 1 3 393.531 3.559 20 0 GHADHO COC(=O)c1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)n(C)c1C ZINC000814172741 892324491 /nfs/dbraw/zinc/32/44/91/892324491.db2.gz BFPGORDNGLVDCU-SEJPIABJSA-N 1 3 395.547 3.795 20 0 GHADHO C[C@H](Nc1cccc(CN2CCN(C)CC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508708256 892774874 /nfs/dbraw/zinc/77/48/74/892774874.db2.gz ARYLBDWTIXQMBP-XUZZJYLKSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@H](Nc1cccc(CN2CCN(C)CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708256 892774884 /nfs/dbraw/zinc/77/48/84/892774884.db2.gz ARYLBDWTIXQMBP-XUZZJYLKSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508711893 892830599 /nfs/dbraw/zinc/83/05/99/892830599.db2.gz BQMQKSVDRRVOAA-FYYLOGMGSA-N 1 3 385.596 3.522 20 0 GHADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000068843795 892839212 /nfs/dbraw/zinc/83/92/12/892839212.db2.gz FDRVAWMPRAWUMP-UHFFFAOYSA-N 1 3 398.595 3.559 20 0 GHADHO c1cnn(-c2ccccc2C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)c1 ZINC001137098237 892873713 /nfs/dbraw/zinc/87/37/13/892873713.db2.gz RVRLPVFEWVKOQE-UHFFFAOYSA-N 1 3 387.531 3.755 20 0 GHADHO C[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508722369 892977017 /nfs/dbraw/zinc/97/70/17/892977017.db2.gz XLPYRLIEADOOSZ-AEFFLSMTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1ncccc1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722369 892977028 /nfs/dbraw/zinc/97/70/28/892977028.db2.gz XLPYRLIEADOOSZ-AEFFLSMTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1ncccc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722369 892977034 /nfs/dbraw/zinc/97/70/34/892977034.db2.gz XLPYRLIEADOOSZ-AEFFLSMTSA-N 1 3 393.453 3.979 20 0 GHADHO CCN1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000069160411 893175834 /nfs/dbraw/zinc/17/58/34/893175834.db2.gz FNKSYBMJFMSGFG-LJQANCHMSA-N 1 3 375.520 3.756 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877033859 893448837 /nfs/dbraw/zinc/44/88/37/893448837.db2.gz PRCOHPPGMKPQBI-WUMKDDEVSA-N 1 3 396.531 3.695 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877033859 893448843 /nfs/dbraw/zinc/44/88/43/893448843.db2.gz PRCOHPPGMKPQBI-WUMKDDEVSA-N 1 3 396.531 3.695 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000536666364 893483764 /nfs/dbraw/zinc/48/37/64/893483764.db2.gz IVMFMVTWJNZZAP-UZLBHIALSA-N 1 3 389.490 3.683 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000536666364 893483770 /nfs/dbraw/zinc/48/37/70/893483770.db2.gz IVMFMVTWJNZZAP-UZLBHIALSA-N 1 3 389.490 3.683 20 0 GHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000611981597 893554175 /nfs/dbraw/zinc/55/41/75/893554175.db2.gz JPEJSGXQBUGODU-JOCHJYFZSA-N 1 3 379.548 3.950 20 0 GHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000611981597 893554201 /nfs/dbraw/zinc/55/42/01/893554201.db2.gz JPEJSGXQBUGODU-JOCHJYFZSA-N 1 3 379.548 3.950 20 0 GHADHO C[C@@H]1CCC[C@H](NC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000536714345 893590855 /nfs/dbraw/zinc/59/08/55/893590855.db2.gz XDXVGIMYGFFCOJ-KNKQGSTJSA-N 1 3 386.584 3.561 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(C[C@@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000459546666 893775984 /nfs/dbraw/zinc/77/59/84/893775984.db2.gz NPCZMVZQVSWDCR-SDHOMARFSA-N 1 3 375.560 3.682 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(C[C@@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000459546666 893776006 /nfs/dbraw/zinc/77/60/06/893776006.db2.gz NPCZMVZQVSWDCR-SDHOMARFSA-N 1 3 375.560 3.682 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cccc4ccccc43)CC2)CC1 ZINC000563547307 893886965 /nfs/dbraw/zinc/88/69/65/893886965.db2.gz RZARRFBFOIRYLM-UHFFFAOYSA-N 1 3 393.575 3.995 20 0 GHADHO OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@@H]1c1ccccc1 ZINC000563654598 894028799 /nfs/dbraw/zinc/02/87/99/894028799.db2.gz FDYAQXYFPXFJQH-QERLCLQCSA-N 1 3 376.544 3.653 20 0 GHADHO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000563659254 894035220 /nfs/dbraw/zinc/03/52/20/894035220.db2.gz ZMCFKFRTFYQUQC-OEMFJLHTSA-N 1 3 380.532 3.681 20 0 GHADHO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000563659254 894035237 /nfs/dbraw/zinc/03/52/37/894035237.db2.gz ZMCFKFRTFYQUQC-OEMFJLHTSA-N 1 3 380.532 3.681 20 0 GHADHO CCC1(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000537093609 894331669 /nfs/dbraw/zinc/33/16/69/894331669.db2.gz VCGUIIRSJBEXRY-LEWJYISDSA-N 1 3 392.609 3.624 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573561 894396899 /nfs/dbraw/zinc/39/68/99/894396899.db2.gz LIZBFRYGWGBUDR-MOPGFXCFSA-N 1 3 378.582 3.538 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573561 894396916 /nfs/dbraw/zinc/39/69/16/894396916.db2.gz LIZBFRYGWGBUDR-MOPGFXCFSA-N 1 3 378.582 3.538 20 0 GHADHO C[N@@H+]1CC[C@@H](NCc2ccc(Cn3ccccc3=O)cc2)C[C@@H]1c1ccccc1 ZINC000645395106 913873416 /nfs/dbraw/zinc/87/34/16/913873416.db2.gz CRHCMKRJEIMBBO-DNQXCXABSA-N 1 3 387.527 3.822 20 0 GHADHO C[N@H+]1CC[C@@H](NCc2ccc(Cn3ccccc3=O)cc2)C[C@@H]1c1ccccc1 ZINC000645395106 913873431 /nfs/dbraw/zinc/87/34/31/913873431.db2.gz CRHCMKRJEIMBBO-DNQXCXABSA-N 1 3 387.527 3.822 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293177 894716396 /nfs/dbraw/zinc/71/63/96/894716396.db2.gz XPRMVPSKVKLOPI-WMZOPIPTSA-N 1 3 379.504 3.824 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1c1ccccc1 ZINC000645454295 913907810 /nfs/dbraw/zinc/90/78/10/913907810.db2.gz YUJHNLPTCSFCML-CCDWMCETSA-N 1 3 393.575 3.703 20 0 GHADHO CN(c1ccccc1CN1CCC=C(c2ccncc2)C1)C1CC[NH+](C)CC1 ZINC000564315518 894854968 /nfs/dbraw/zinc/85/49/68/894854968.db2.gz SKHMAZDBGODAGB-UHFFFAOYSA-N 1 3 376.548 3.901 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847230 895280268 /nfs/dbraw/zinc/28/02/68/895280268.db2.gz KZDGEAOOWBZLNU-QPPBQGQZSA-N 1 3 396.575 3.864 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847230 895280277 /nfs/dbraw/zinc/28/02/77/895280277.db2.gz KZDGEAOOWBZLNU-QPPBQGQZSA-N 1 3 396.575 3.864 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847230 895280285 /nfs/dbraw/zinc/28/02/85/895280285.db2.gz KZDGEAOOWBZLNU-QPPBQGQZSA-N 1 3 396.575 3.864 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)CC1 ZINC000565177130 895442453 /nfs/dbraw/zinc/44/24/53/895442453.db2.gz JRCOYRSHAJRWQW-UHFFFAOYSA-N 1 3 379.548 3.652 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000565676746 895801150 /nfs/dbraw/zinc/80/11/50/895801150.db2.gz DPEUSPIGVNWGCJ-QAPCUYQASA-N 1 3 389.531 3.725 20 0 GHADHO O[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000817893216 895951268 /nfs/dbraw/zinc/95/12/68/895951268.db2.gz FQMBUIWVFACWBD-NSHGMRRFSA-N 1 3 393.314 3.872 20 0 GHADHO O=C1CCCCN1c1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817894540 895952721 /nfs/dbraw/zinc/95/27/21/895952721.db2.gz MAUQWMGQXGSSCN-QPPBQGQZSA-N 1 3 391.515 3.549 20 0 GHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000817898164 895954251 /nfs/dbraw/zinc/95/42/51/895954251.db2.gz FAFJRBOSVDPHFD-KIFXHHALSA-N 1 3 394.515 3.590 20 0 GHADHO O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(Cl)cccc1Cl ZINC000817905790 895956124 /nfs/dbraw/zinc/95/61/24/895956124.db2.gz OARBJLKDUBWXAP-MBOZVWFJSA-N 1 3 393.314 3.872 20 0 GHADHO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245036 896196673 /nfs/dbraw/zinc/19/66/73/896196673.db2.gz XXJMJELXAJSMNA-KNKQGSTJSA-N 1 3 381.495 3.827 20 0 GHADHO COCCOCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000566388290 896281501 /nfs/dbraw/zinc/28/15/01/896281501.db2.gz LAKKWKGSXSTITG-YKSBVNFPSA-N 1 3 382.548 3.992 20 0 GHADHO COCCOCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000566388290 896281506 /nfs/dbraw/zinc/28/15/06/896281506.db2.gz LAKKWKGSXSTITG-YKSBVNFPSA-N 1 3 382.548 3.992 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCc4ccc(C)cc43)CC2)CC1 ZINC000566459734 896325259 /nfs/dbraw/zinc/32/52/59/896325259.db2.gz AQZGIURZYXNMCK-HSZRJFAPSA-N 1 3 383.580 3.685 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@H]3CC4CCC3CC4)CC2)CC1 ZINC000566463517 896326594 /nfs/dbraw/zinc/32/65/94/896326594.db2.gz GAEIQFXQIXHIQR-AITKFJGESA-N 1 3 375.601 3.514 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000566470195 896330518 /nfs/dbraw/zinc/33/05/18/896330518.db2.gz OZFPLEVGSJRNTO-ISKFKSNPSA-N 1 3 397.607 3.883 20 0 GHADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819016416 896350788 /nfs/dbraw/zinc/35/07/88/896350788.db2.gz YVYZKKIKGTYYGR-WIYYLYMNSA-N 1 3 392.465 3.893 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000819326690 896571011 /nfs/dbraw/zinc/57/10/11/896571011.db2.gz UMOOVFMYXIIUHK-UCBGAZFYSA-N 1 3 382.523 3.904 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000819326690 896571020 /nfs/dbraw/zinc/57/10/20/896571020.db2.gz UMOOVFMYXIIUHK-UCBGAZFYSA-N 1 3 382.523 3.904 20 0 GHADHO FC(F)(F)c1cnc(NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000567642347 897306821 /nfs/dbraw/zinc/30/68/21/897306821.db2.gz KLWYKMDPOFRUEM-CFVMTHIKSA-N 1 3 376.854 3.676 20 0 GHADHO CC(C)[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001136529712 898174608 /nfs/dbraw/zinc/17/46/08/898174608.db2.gz MLTVJPBRKZKJCT-HSZRJFAPSA-N 1 3 385.596 3.664 20 0 GHADHO C[NH+]1CCC2(CC1)CN(CC/C=C/c1ccc(Br)cc1)CCO2 ZINC000646104205 914260572 /nfs/dbraw/zinc/26/05/72/914260572.db2.gz BGHWJBTYARXTBP-DUXPYHPUSA-N 1 3 379.342 3.649 20 0 GHADHO Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569482030 898700887 /nfs/dbraw/zinc/70/08/87/898700887.db2.gz XFINJIUARLIOCG-XPGWFJOJSA-N 1 3 389.902 3.597 20 0 GHADHO Cc1cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc(N2CCCC2)n1 ZINC000289655263 914281386 /nfs/dbraw/zinc/28/13/86/914281386.db2.gz GLHPISHDDIFMSJ-LJQANCHMSA-N 1 3 382.552 3.781 20 0 GHADHO Cn1cc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728882 914318541 /nfs/dbraw/zinc/31/85/41/914318541.db2.gz PQXJJYRYCSQCIY-DEOSSOPVSA-N 1 3 387.531 3.580 20 0 GHADHO Cn1cc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728882 914318548 /nfs/dbraw/zinc/31/85/48/914318548.db2.gz PQXJJYRYCSQCIY-DEOSSOPVSA-N 1 3 387.531 3.580 20 0 GHADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000331689414 899083800 /nfs/dbraw/zinc/08/38/00/899083800.db2.gz AZWVRXNFGVOQME-SJKOYZFVSA-N 1 3 398.320 3.802 20 0 GHADHO COc1cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c(-c2ccccc2)cc1OC ZINC000570570512 899399014 /nfs/dbraw/zinc/39/90/14/899399014.db2.gz SKNTUXYCIFAWOH-FQEVSTJZSA-N 1 3 396.531 3.558 20 0 GHADHO Cc1cc([C@H](N)CC(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc(Cl)n1 ZINC000844176615 900565867 /nfs/dbraw/zinc/56/58/67/900565867.db2.gz VPXBNJRDSFGARH-LJQANCHMSA-N 1 3 388.943 3.590 20 0 GHADHO Cc1cc([C@H](N)CC(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc(Cl)n1 ZINC000844176615 900565871 /nfs/dbraw/zinc/56/58/71/900565871.db2.gz VPXBNJRDSFGARH-LJQANCHMSA-N 1 3 388.943 3.590 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCCC4)[C@H]3C(C)C)CC2)CC1 ZINC000573933639 900704901 /nfs/dbraw/zinc/70/49/01/900704901.db2.gz IYROAFNURVYHHO-OAQYLSRUSA-N 1 3 375.601 3.610 20 0 GHADHO O=C(c1ccco1)N1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886500535 901083681 /nfs/dbraw/zinc/08/36/81/901083681.db2.gz ZSDQPRQTGUNYTO-NNWRFLSQSA-N 1 3 393.531 3.527 20 0 GHADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cn1 ZINC000886638215 901202281 /nfs/dbraw/zinc/20/22/81/901202281.db2.gz OCBVAYOQYGVNEN-PJKILVJMSA-N 1 3 378.564 3.774 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H](CO)Cc3cc(F)c(F)c(F)c3)CC2)C1 ZINC000576340695 901962777 /nfs/dbraw/zinc/96/27/77/901962777.db2.gz OSORUZRTSVNDBT-HHXXYDBFSA-N 1 3 398.513 3.888 20 0 GHADHO Cc1cc(C)c(CC(C(=O)Nc2ccnn2CC[NH+](C)C)C(F)(F)F)c(C)c1 ZINC000577137044 902531207 /nfs/dbraw/zinc/53/12/07/902531207.db2.gz KXSQNRZZWPVZKL-QGZVFWFLSA-N 1 3 396.457 3.730 20 0 GHADHO C[NH+]1CCC2(CCN(Cc3c[nH]c4cc(Br)cnc34)CC2)CC1 ZINC001144706461 902672579 /nfs/dbraw/zinc/67/25/79/902672579.db2.gz BEXBBHFMEIAJEU-UHFFFAOYSA-N 1 3 377.330 3.633 20 0 GHADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000577363499 902714097 /nfs/dbraw/zinc/71/40/97/902714097.db2.gz LSSDMLWUUMHWCE-IRLDBZIGSA-N 1 3 382.552 3.714 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646576112 914686636 /nfs/dbraw/zinc/68/66/36/914686636.db2.gz WRPMCJXRHRCKQY-BJKOFHAPSA-N 1 3 391.559 3.819 20 0 GHADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000132799561 903310372 /nfs/dbraw/zinc/31/03/72/903310372.db2.gz JJURMSAATYFZGG-ZIAGYGMSSA-N 1 3 385.321 3.740 20 0 GHADHO COc1ccc([C@H](NCC2(O)CC[NH+](C)CC2)c2ccc(Cl)cc2)cc1C ZINC000779068863 903806300 /nfs/dbraw/zinc/80/63/00/903806300.db2.gz CPRHFPHDZKNOPU-OAQYLSRUSA-N 1 3 388.939 3.793 20 0 GHADHO CN(C)C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000578790305 904123125 /nfs/dbraw/zinc/12/31/25/904123125.db2.gz JLQGBELQYNWJCE-HXUWFJFHSA-N 1 3 388.943 3.504 20 0 GHADHO C[C@H](NCc1ccccc1CN1CCCC1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000151411365 904126766 /nfs/dbraw/zinc/12/67/66/904126766.db2.gz FQVMKBNRFCZELL-IBGZPJMESA-N 1 3 395.547 3.600 20 0 GHADHO FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716721285 904697948 /nfs/dbraw/zinc/69/79/48/904697948.db2.gz ZWUJMXWADYSULA-FYQPLNBISA-N 1 3 381.486 3.513 20 0 GHADHO Cc1cccc2c1CC[C@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C1)C2 ZINC001171570772 904838182 /nfs/dbraw/zinc/83/81/82/904838182.db2.gz IJOUKRQYMVDEQA-FVEXOFTDSA-N 1 3 392.591 3.922 20 0 GHADHO Cc1cccc2c1CC[C@H](N1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C1)C2 ZINC001171570772 904838195 /nfs/dbraw/zinc/83/81/95/904838195.db2.gz IJOUKRQYMVDEQA-FVEXOFTDSA-N 1 3 392.591 3.922 20 0 GHADHO Cc1cccc2c1CC[C@H]([N@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)C)C1)C2 ZINC001171570772 904838209 /nfs/dbraw/zinc/83/82/09/904838209.db2.gz IJOUKRQYMVDEQA-FVEXOFTDSA-N 1 3 392.591 3.922 20 0 GHADHO Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)C)C1)C2 ZINC001171570772 904838220 /nfs/dbraw/zinc/83/82/20/904838220.db2.gz IJOUKRQYMVDEQA-FVEXOFTDSA-N 1 3 392.591 3.922 20 0 GHADHO C[C@@H]1C[C@H](N[C@H](C[NH3+])c2ccc(Br)cc2)CN1Cc1ccccc1 ZINC001171731619 904959568 /nfs/dbraw/zinc/95/95/68/904959568.db2.gz CHJDBDYNDSCZBC-UIAACRFSSA-N 1 3 388.353 3.702 20 0 GHADHO CCCN1C[C@@H]2C[NH+](C3CCN(c4ccc(Br)cc4)CC3)C[C@H]2C1 ZINC001171999751 905212229 /nfs/dbraw/zinc/21/22/29/905212229.db2.gz YGJVNDNIQJKLEM-IAGOWNOFSA-N 1 3 392.385 3.692 20 0 GHADHO CN1c2cc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C(C)(C)C3)ccc2OCC1=O ZINC001171980824 905232887 /nfs/dbraw/zinc/23/28/87/905232887.db2.gz XIEPNSNHMJCNLL-HXUWFJFHSA-N 1 3 393.531 3.575 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC001172072764 905278585 /nfs/dbraw/zinc/27/85/85/905278585.db2.gz MWZVIKSJLQUETK-NUNAXRQHSA-N 1 3 383.580 3.858 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC001172072764 905278604 /nfs/dbraw/zinc/27/86/04/905278604.db2.gz MWZVIKSJLQUETK-NUNAXRQHSA-N 1 3 383.580 3.858 20 0 GHADHO O[C@]1(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071929 905278951 /nfs/dbraw/zinc/27/89/51/905278951.db2.gz JMTDMKPJYTXTDF-MTQWNXOMSA-N 1 3 392.543 3.832 20 0 GHADHO O[C@]1(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071929 905278966 /nfs/dbraw/zinc/27/89/66/905278966.db2.gz JMTDMKPJYTXTDF-MTQWNXOMSA-N 1 3 392.543 3.832 20 0 GHADHO Cn1cnnc1C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172082415 905296105 /nfs/dbraw/zinc/29/61/05/905296105.db2.gz JNRKVWCNRHSFIA-ZBYYUNFXSA-N 1 3 379.552 3.580 20 0 GHADHO Cn1cnnc1C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172082415 905296122 /nfs/dbraw/zinc/29/61/22/905296122.db2.gz JNRKVWCNRHSFIA-ZBYYUNFXSA-N 1 3 379.552 3.580 20 0 GHADHO COc1ccc([C@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001172063292 905327420 /nfs/dbraw/zinc/32/74/20/905327420.db2.gz BRYJIXAJOWXEEF-KHUIQGCPSA-N 1 3 380.532 3.904 20 0 GHADHO FC1(F)CCN(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069110 905338345 /nfs/dbraw/zinc/33/83/45/905338345.db2.gz ZNIMZXXIDJWUST-WKCHPHFGSA-N 1 3 377.523 3.893 20 0 GHADHO FC1(F)CCN(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069110 905338356 /nfs/dbraw/zinc/33/83/56/905338356.db2.gz ZNIMZXXIDJWUST-WKCHPHFGSA-N 1 3 377.523 3.893 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)Cc3cccc(Cl)c3)CC2)CC1 ZINC000176593378 905882944 /nfs/dbraw/zinc/88/29/44/905882944.db2.gz YSEPMRLLWKBTPC-UHFFFAOYSA-N 1 3 391.987 3.584 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172999999 906074968 /nfs/dbraw/zinc/07/49/68/906074968.db2.gz WSMISDLPHCSUNC-GOSISDBHSA-N 1 3 383.511 3.527 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172999999 906074976 /nfs/dbraw/zinc/07/49/76/906074976.db2.gz WSMISDLPHCSUNC-GOSISDBHSA-N 1 3 383.511 3.527 20 0 GHADHO C[C@H](C[NH3+])CN(Cc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172999999 906074990 /nfs/dbraw/zinc/07/49/90/906074990.db2.gz WSMISDLPHCSUNC-GOSISDBHSA-N 1 3 383.511 3.527 20 0 GHADHO CC[NH+](CC)C1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC001173111286 906199319 /nfs/dbraw/zinc/19/93/19/906199319.db2.gz AXFSPYVSSXEUOF-UHFFFAOYSA-N 1 3 384.490 3.875 20 0 GHADHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCOC2=O)cc1 ZINC000177752508 906211272 /nfs/dbraw/zinc/21/12/72/906211272.db2.gz DNVGKAIPSUVOCJ-MSOLQXFVSA-N 1 3 397.519 3.995 20 0 GHADHO COc1cccc2c1C[C@@H](NC[C@H]1C[N@H+](Cc3ccccc3)CC[C@H]1C)CO2 ZINC001173159895 906246579 /nfs/dbraw/zinc/24/65/79/906246579.db2.gz ICMJFVGSMKHKPZ-HLAWJBBLSA-N 1 3 380.532 3.747 20 0 GHADHO COc1cccc2c1C[C@@H](NC[C@H]1C[N@@H+](Cc3ccccc3)CC[C@H]1C)CO2 ZINC001173159895 906246596 /nfs/dbraw/zinc/24/65/96/906246596.db2.gz ICMJFVGSMKHKPZ-HLAWJBBLSA-N 1 3 380.532 3.747 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000178256465 906316221 /nfs/dbraw/zinc/31/62/21/906316221.db2.gz ULYSVJUHDABBIX-MRXNPFEDSA-N 1 3 377.960 3.541 20 0 GHADHO COCCC1([NH3+])CCN([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173704043 906653616 /nfs/dbraw/zinc/65/36/16/906653616.db2.gz VKVFXZIUUYKTPW-QHCPKHFHSA-N 1 3 394.559 3.953 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001173734256 906675756 /nfs/dbraw/zinc/67/57/56/906675756.db2.gz HYQRYUDNYRCOFV-IGKWTDBASA-N 1 3 392.543 3.858 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001173734256 906675764 /nfs/dbraw/zinc/67/57/64/906675764.db2.gz HYQRYUDNYRCOFV-IGKWTDBASA-N 1 3 392.543 3.858 20 0 GHADHO CC[C@H](c1ccccc1)N(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000299481067 921364043 /nfs/dbraw/zinc/36/40/43/921364043.db2.gz DNJSKLUBGFHEHS-JOCHJYFZSA-N 1 3 386.584 3.728 20 0 GHADHO CC(C)c1ccc2c(c1)[C@H](NC(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000186556565 907941946 /nfs/dbraw/zinc/94/19/46/907941946.db2.gz WZOLMXAUINJUQV-HSZRJFAPSA-N 1 3 398.595 3.655 20 0 GHADHO CC1(C)OCc2cc(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)ccc2O1 ZINC000187511804 908098824 /nfs/dbraw/zinc/09/88/24/908098824.db2.gz DSUPFDIMILSJNT-JOCHJYFZSA-N 1 3 396.531 3.578 20 0 GHADHO CC1(C)OCc2cc(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)ccc2O1 ZINC000187511804 908098844 /nfs/dbraw/zinc/09/88/44/908098844.db2.gz DSUPFDIMILSJNT-JOCHJYFZSA-N 1 3 396.531 3.578 20 0 GHADHO COc1ccc2[nH]cc(C3CC[NH+](CCCN4CCN(C(C)C)CC4)CC3)c2c1 ZINC000191460249 908629544 /nfs/dbraw/zinc/62/95/44/908629544.db2.gz IWFIFVHAUWHJHY-UHFFFAOYSA-N 1 3 398.595 3.772 20 0 GHADHO O=C1OCCN1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000193278626 908862179 /nfs/dbraw/zinc/86/21/79/908862179.db2.gz KKBAUEQPWUNNQU-BRTIRZTQSA-N 1 3 391.515 3.928 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2COc3c(C)cccc3C2)CC1 ZINC001178851075 909262023 /nfs/dbraw/zinc/26/20/23/909262023.db2.gz FXDLJXVCGRXFHE-JOCHJYFZSA-N 1 3 379.548 3.620 20 0 GHADHO CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000638181596 910076850 /nfs/dbraw/zinc/07/68/50/910076850.db2.gz HWCXEBJHXVYVEA-LADGPHEKSA-N 1 3 385.596 3.725 20 0 GHADHO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000638181596 910076864 /nfs/dbraw/zinc/07/68/64/910076864.db2.gz HWCXEBJHXVYVEA-LADGPHEKSA-N 1 3 385.596 3.725 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000269002676 910097860 /nfs/dbraw/zinc/09/78/60/910097860.db2.gz LXURZCWKYNZCEP-MRXNPFEDSA-N 1 3 377.960 3.684 20 0 GHADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000269035359 910113266 /nfs/dbraw/zinc/11/32/66/910113266.db2.gz TZZCMIYCTKMIKH-JKSUJKDBSA-N 1 3 386.458 3.779 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001181471388 910782596 /nfs/dbraw/zinc/78/25/96/910782596.db2.gz FJPGHPMUGDRXBK-AHRSYUTCSA-N 1 3 394.401 3.904 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182855165 912080280 /nfs/dbraw/zinc/08/02/80/912080280.db2.gz NCNKHAWOSAHOJM-GGAORHGYSA-N 1 3 381.568 3.538 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182855165 912080298 /nfs/dbraw/zinc/08/02/98/912080298.db2.gz NCNKHAWOSAHOJM-GGAORHGYSA-N 1 3 381.568 3.538 20 0 GHADHO CN1C[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000647249363 915107794 /nfs/dbraw/zinc/10/77/94/915107794.db2.gz VFSRNARVYVTNKY-RDGATRHJSA-N 1 3 395.566 3.768 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344432 915167947 /nfs/dbraw/zinc/16/79/47/915167947.db2.gz QMAMBKYUIDDKEO-CDXJDZJCSA-N 1 3 385.939 3.992 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344432 915167953 /nfs/dbraw/zinc/16/79/53/915167953.db2.gz QMAMBKYUIDDKEO-CDXJDZJCSA-N 1 3 385.939 3.992 20 0 GHADHO [NH3+]C[C@@H]1CN(Cc2ccc(OCc3cccc(F)c3)cc2)CC12CCOCC2 ZINC000647545213 915319744 /nfs/dbraw/zinc/31/97/44/915319744.db2.gz SEXGZOQSLKCYKX-HXUWFJFHSA-N 1 3 384.495 3.592 20 0 GHADHO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543780 915320417 /nfs/dbraw/zinc/32/04/17/915320417.db2.gz RVAAHJYFPRUHDL-SJORKVTESA-N 1 3 385.533 3.750 20 0 GHADHO Cc1nc(-c2cccc(NC(=O)CN3CC4(C[C@@H]3C)CC[NH2+]CC4)c2)cs1 ZINC000649420896 916149433 /nfs/dbraw/zinc/14/94/33/916149433.db2.gz CUMKNTGTQDAAIP-HNNXBMFYSA-N 1 3 384.549 3.521 20 0 GHADHO CC(=O)N1CC[C@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000362032561 917042926 /nfs/dbraw/zinc/04/29/26/917042926.db2.gz NOHPODZJWHPUCQ-VGSWGCGISA-N 1 3 381.520 3.776 20 0 GHADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc(C(=O)NC)cc2)ccc1OC ZINC000775369898 917225285 /nfs/dbraw/zinc/22/52/85/917225285.db2.gz BQHIGPIPHKFHOI-QGZVFWFLSA-N 1 3 383.536 3.747 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1CN1CCCCC1 ZINC000775379433 917308242 /nfs/dbraw/zinc/30/82/42/917308242.db2.gz CXMBVZFBJIWGSD-VQIMIIECSA-N 1 3 399.501 3.968 20 0 GHADHO CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCc2ccccc2C1 ZINC001190510308 917374427 /nfs/dbraw/zinc/37/44/27/917374427.db2.gz LTNSUNZSZUOXCO-RPWUZVMVSA-N 1 3 393.575 3.675 20 0 GHADHO CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCc2ccccc2C1 ZINC001190510308 917374433 /nfs/dbraw/zinc/37/44/33/917374433.db2.gz LTNSUNZSZUOXCO-RPWUZVMVSA-N 1 3 393.575 3.675 20 0 GHADHO Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000295614953 917381759 /nfs/dbraw/zinc/38/17/59/917381759.db2.gz GOSJGMUENMFVNK-FZKQIMNGSA-N 1 3 397.332 3.666 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592156 922218126 /nfs/dbraw/zinc/21/81/26/922218126.db2.gz BIBLXZJGZYMSGH-RFUYNDQBSA-N 1 3 394.441 3.935 20 0 GHADHO CC(=O)N1CC[C@H](NCc2ccc(OCCC[NH+](C)C)cc2)c2ccccc2C1 ZINC000368054654 922451509 /nfs/dbraw/zinc/45/15/09/922451509.db2.gz BNSHVZCDAFXPIS-DEOSSOPVSA-N 1 3 395.547 3.600 20 0 GHADHO COC(=O)c1ccc([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(C)c1 ZINC000902793964 922501569 /nfs/dbraw/zinc/50/15/69/922501569.db2.gz PGIPBIZUAFQYGB-SFHVURJKSA-N 1 3 396.531 3.589 20 0 GHADHO c1ccc([C@H](CCc2cccnc2)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000902808175 922508323 /nfs/dbraw/zinc/50/83/23/922508323.db2.gz DRXODJRQHSBSJQ-URXFXBBRSA-N 1 3 379.548 3.846 20 0 GHADHO FC(F)(F)c1csc([C@@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755543 923258684 /nfs/dbraw/zinc/25/86/84/923258684.db2.gz IVUUDMUKVBLDKF-ZIAGYGMSSA-N 1 3 389.487 3.500 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000903767940 923268779 /nfs/dbraw/zinc/26/87/79/923268779.db2.gz JRAKCJNQVRLZIU-WPYKKVEZSA-N 1 3 399.510 3.757 20 0 GHADHO COc1ccccc1-c1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370709939 924269852 /nfs/dbraw/zinc/26/98/52/924269852.db2.gz LABPMOKQPGUGNA-RDPSFJRHSA-N 1 3 393.575 3.820 20 0 GHADHO COc1ccc(CN(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1OC ZINC000678123562 924618129 /nfs/dbraw/zinc/61/81/29/924618129.db2.gz XCOREQNLTUQBNO-UHFFFAOYSA-N 1 3 384.520 3.810 20 0 GHADHO O=C(C1CCCC1)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000679394879 925121420 /nfs/dbraw/zinc/12/14/20/925121420.db2.gz RJLOUTGWGAFRTA-BXXSPATCSA-N 1 3 381.564 3.563 20 0 GHADHO O=C(C1CCCC1)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000679394879 925121423 /nfs/dbraw/zinc/12/14/23/925121423.db2.gz RJLOUTGWGAFRTA-BXXSPATCSA-N 1 3 381.564 3.563 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c[nH]c3ncccc13)CC2 ZINC001137400869 925387924 /nfs/dbraw/zinc/38/79/24/925387924.db2.gz JJHZMOPSMNBEQD-OAQYLSRUSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c[nH]c3ncccc13)CC2 ZINC001137400869 925387934 /nfs/dbraw/zinc/38/79/34/925387934.db2.gz JJHZMOPSMNBEQD-OAQYLSRUSA-N 1 3 390.531 3.818 20 0 GHADHO C[C@H](CCN1CC[C@@H](Cc2ccncc2)C1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680890624 925645276 /nfs/dbraw/zinc/64/52/76/925645276.db2.gz JSKFQTMHDALBPC-FGCOXFRFSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CCN1CC[C@@H](Cc2ccncc2)C1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680890624 925645280 /nfs/dbraw/zinc/64/52/80/925645280.db2.gz JSKFQTMHDALBPC-FGCOXFRFSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1)N1CC[C@H](Cc2ccncc2)C1 ZINC000680890624 925645285 /nfs/dbraw/zinc/64/52/85/925645285.db2.gz JSKFQTMHDALBPC-FGCOXFRFSA-N 1 3 378.564 3.684 20 0 GHADHO C[C@H](CC[N@H+]1CC[C@@H](Cc2ccncc2)C1)N1CC[C@H](Cc2ccncc2)C1 ZINC000680890624 925645291 /nfs/dbraw/zinc/64/52/91/925645291.db2.gz JSKFQTMHDALBPC-FGCOXFRFSA-N 1 3 378.564 3.684 20 0 GHADHO CN1CC[C@@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)[C@@H]1c1ccccc1 ZINC000682654940 926198228 /nfs/dbraw/zinc/19/82/28/926198228.db2.gz VQPDUDSLYXQRAT-YADHBBJMSA-N 1 3 396.535 3.584 20 0 GHADHO C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000827950878 926374477 /nfs/dbraw/zinc/37/44/77/926374477.db2.gz UNEQMEPEHVQALR-RLLQIKCJSA-N 1 3 379.589 3.734 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000411455942 926413728 /nfs/dbraw/zinc/41/37/28/926413728.db2.gz LZQQWLBNLFSKJT-DEOSSOPVSA-N 1 3 393.575 3.939 20 0 GHADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000412196839 927197474 /nfs/dbraw/zinc/19/74/74/927197474.db2.gz CHDJJXWLIJZKJM-GGAORHGYSA-N 1 3 381.564 3.761 20 0 GHADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000412196839 927197480 /nfs/dbraw/zinc/19/74/80/927197480.db2.gz CHDJJXWLIJZKJM-GGAORHGYSA-N 1 3 381.564 3.761 20 0 GHADHO O[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Br ZINC000751562950 928251783 /nfs/dbraw/zinc/25/17/83/928251783.db2.gz DYVLNTXZRVWGGW-HXUWFJFHSA-N 1 3 389.337 3.737 20 0 GHADHO C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000780880552 930625087 /nfs/dbraw/zinc/62/50/87/930625087.db2.gz XYHLNAAZHRFFTN-AZUAARDMSA-N 1 3 387.568 3.886 20 0 GHADHO CCCN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470478644 930648800 /nfs/dbraw/zinc/64/88/00/930648800.db2.gz WGFQRWJXUDURQR-HSZRJFAPSA-N 1 3 377.532 3.807 20 0 GHADHO CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557596579 931564584 /nfs/dbraw/zinc/56/45/84/931564584.db2.gz SVKIRCPIJKNLEU-HXUWFJFHSA-N 1 3 389.609 3.780 20 0 GHADHO CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925684890 931876984 /nfs/dbraw/zinc/87/69/84/931876984.db2.gz DPMSKEPJFQJECO-LJQANCHMSA-N 1 3 380.941 3.703 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124073 932056002 /nfs/dbraw/zinc/05/60/02/932056002.db2.gz FVMGIFCRJRVRQL-FDDCHVKYSA-N 1 3 382.548 3.722 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124073 932056011 /nfs/dbraw/zinc/05/60/11/932056011.db2.gz FVMGIFCRJRVRQL-FDDCHVKYSA-N 1 3 382.548 3.722 20 0 GHADHO C[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976826 932133540 /nfs/dbraw/zinc/13/35/40/932133540.db2.gz FPCKUFLOTGDZMU-WMZHIEFXSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976826 932133541 /nfs/dbraw/zinc/13/35/41/932133541.db2.gz FPCKUFLOTGDZMU-WMZHIEFXSA-N 1 3 375.520 3.830 20 0 GHADHO CSC1(CNCc2ccc(OC(F)F)cc2OC(F)F)CC[NH+](C)CC1 ZINC001117631675 933966394 /nfs/dbraw/zinc/96/63/94/933966394.db2.gz WENPFYZZPZUHIQ-UHFFFAOYSA-N 1 3 396.450 3.806 20 0 GHADHO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c2ccccc2)cc1 ZINC001120520222 934469402 /nfs/dbraw/zinc/46/94/02/934469402.db2.gz SYJJMZDXTJRPSS-NDBXHCKUSA-N 1 3 394.559 3.678 20 0 GHADHO Cc1cc([C@H](N)CC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc(Cl)n1 ZINC000828614712 935676439 /nfs/dbraw/zinc/67/64/39/935676439.db2.gz JYFDBJFXAMOZPO-MAUKXSAKSA-N 1 3 388.943 3.679 20 0 GHADHO COc1ccc(F)c(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccco4)CO3)CC2)c1 ZINC001137992162 935912953 /nfs/dbraw/zinc/91/29/53/935912953.db2.gz KSULVMYZAHEAPF-GOSISDBHSA-N 1 3 388.483 3.683 20 0 GHADHO Cc1ccc(C[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c2ccccc2)cc1 ZINC001220763860 1032107430 /nfs/dbraw/zinc/10/74/30/1032107430.db2.gz QLHQNYUKVFXRTH-GOTSBHOMSA-N 1 3 381.564 3.891 20 0 GHADHO Cc1csc2sc(CN3CCC[C@]34CCN(CC[NH+](C)C)C4=O)c(C)c12 ZINC001277201127 1032381697 /nfs/dbraw/zinc/38/16/97/1032381697.db2.gz PWCPTXNFEYSRNY-HXUWFJFHSA-N 1 3 391.606 3.708 20 0 GHADHO COC(=O)c1ccc(C[NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)cc1 ZINC001204144238 1032600647 /nfs/dbraw/zinc/60/06/47/1032600647.db2.gz HFYOGQJCCQBROT-NRFANRHFSA-N 1 3 382.504 3.943 20 0 GHADHO Cc1ccc([C@@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc2)c(C)c1 ZINC000925853084 1017163174 /nfs/dbraw/zinc/16/31/74/1017163174.db2.gz DVBVRRPSDGOVPJ-UNMCSNQZSA-N 1 3 378.516 3.668 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000562463259 1018178265 /nfs/dbraw/zinc/17/82/65/1018178265.db2.gz YSTMANFZSNHSOB-XMMPIXPASA-N 1 3 393.575 4.000 20 0 GHADHO CC(=O)N1CCC(C[NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC000638528675 1021046072 /nfs/dbraw/zinc/04/60/72/1021046072.db2.gz NQWWRHTWNXONJD-XMMPIXPASA-N 1 3 385.596 3.773 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000679327307 1021986285 /nfs/dbraw/zinc/98/62/85/1021986285.db2.gz HHAOPEWMOKDEAC-MDNUFGMLSA-N 1 3 382.548 3.543 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc(Cl)n1 ZINC000827463936 1022222699 /nfs/dbraw/zinc/22/26/99/1022222699.db2.gz LNUORXRASJZBGK-LJQANCHMSA-N 1 3 392.975 3.548 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc(Cl)n1 ZINC000827463936 1022222708 /nfs/dbraw/zinc/22/27/08/1022222708.db2.gz LNUORXRASJZBGK-LJQANCHMSA-N 1 3 392.975 3.548 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 ZINC001138053058 1023954906 /nfs/dbraw/zinc/95/49/06/1023954906.db2.gz DOQCHIVNTQLLPY-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001138057093 1023961998 /nfs/dbraw/zinc/96/19/98/1023961998.db2.gz GWLUPITUAYOVAL-PKTZIBPZSA-N 1 3 379.548 3.802 20 0 GHADHO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138448559 1024869556 /nfs/dbraw/zinc/86/95/56/1024869556.db2.gz MYIHRLRWHZTJCR-ISKFKSNPSA-N 1 3 394.563 3.565 20 0 GHADHO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138448559 1024869567 /nfs/dbraw/zinc/86/95/67/1024869567.db2.gz MYIHRLRWHZTJCR-ISKFKSNPSA-N 1 3 394.563 3.565 20 0 GHADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc2c(c1)c1ccccc1n2C ZINC001138918862 1025583893 /nfs/dbraw/zinc/58/38/93/1025583893.db2.gz LLZVQQVHYZGUKC-UHFFFAOYSA-N 1 3 381.520 3.648 20 0 GHADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc2c(c1)c1ccccc1n2C ZINC001138918862 1025583906 /nfs/dbraw/zinc/58/39/06/1025583906.db2.gz LLZVQQVHYZGUKC-UHFFFAOYSA-N 1 3 381.520 3.648 20 0 GHADHO CN(Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC001139422842 1026293198 /nfs/dbraw/zinc/29/31/98/1026293198.db2.gz RBENIKFYYOBNGN-UHFFFAOYSA-N 1 3 379.483 3.503 20 0 GHADHO COc1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1O ZINC001204115812 1027888251 /nfs/dbraw/zinc/88/82/51/1027888251.db2.gz QVPDEXNJXBZGGR-NRFANRHFSA-N 1 3 396.531 3.656 20 0 GHADHO COc1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1O ZINC001204115812 1027888277 /nfs/dbraw/zinc/88/82/77/1027888277.db2.gz QVPDEXNJXBZGGR-NRFANRHFSA-N 1 3 396.531 3.656 20 0 GHADHO CC1([NH+]2CCCCC2)CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC001211343271 1027915521 /nfs/dbraw/zinc/91/55/21/1027915521.db2.gz UJPDRBXWNBJUEL-JOCHJYFZSA-N 1 3 398.595 3.874 20 0 GHADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c2ccccc2)CC1 ZINC001142069869 1028023824 /nfs/dbraw/zinc/02/38/24/1028023824.db2.gz VKIWSRIEUURRHO-XZOQPEGZSA-N 1 3 383.580 3.983 20 0 GHADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c2ccccc2)CC1 ZINC001142069869 1028023843 /nfs/dbraw/zinc/02/38/43/1028023843.db2.gz VKIWSRIEUURRHO-XZOQPEGZSA-N 1 3 383.580 3.983 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(-c4ccc(C)cc4)cc3)CC[C@@H]2C1 ZINC001142305983 1028644865 /nfs/dbraw/zinc/64/48/65/1028644865.db2.gz UPNCHWXYSRWMJI-JWQCQUIFSA-N 1 3 394.559 3.831 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(-c4ccc(C)cc4)cc3)CC[C@@H]2C1 ZINC001142305983 1028644884 /nfs/dbraw/zinc/64/48/84/1028644884.db2.gz UPNCHWXYSRWMJI-JWQCQUIFSA-N 1 3 394.559 3.831 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cc(Cl)cc3cccnc32)C1 ZINC001461429939 1069546149 /nfs/dbraw/zinc/54/61/49/1069546149.db2.gz KKWGUDBCBNEYBD-OAQYLSRUSA-N 1 3 381.907 3.745 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cc(Cl)cc3cccnc32)C1 ZINC001461429939 1069546154 /nfs/dbraw/zinc/54/61/54/1069546154.db2.gz KKWGUDBCBNEYBD-OAQYLSRUSA-N 1 3 381.907 3.745 20 0 GHADHO Cc1cc2oc(=O)cc(CN3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)c2cc1C(C)C ZINC000842479452 1029316322 /nfs/dbraw/zinc/31/63/22/1029316322.db2.gz SXYNLWXSHKIXKT-KNQAVFIVSA-N 1 3 398.547 3.943 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C1 ZINC000842677918 1029484753 /nfs/dbraw/zinc/48/47/53/1029484753.db2.gz MHCLJVSLOCJEPV-IYWMVGAKSA-N 1 3 379.589 3.732 20 0 GHADHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCNC2=O)cc1 ZINC000842904176 1029673949 /nfs/dbraw/zinc/67/39/49/1029673949.db2.gz SIDBKRLNCRUIGZ-MSOLQXFVSA-N 1 3 396.535 3.568 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1CN1CCCCC1 ZINC000842917016 1029683042 /nfs/dbraw/zinc/68/30/42/1029683042.db2.gz SJOUKLBVNNXGHD-JPYJTQIMSA-N 1 3 390.568 3.509 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(OC)cc1CC ZINC001461584266 1069623223 /nfs/dbraw/zinc/62/32/23/1069623223.db2.gz HXKTURRQJORFFN-ISKFKSNPSA-N 1 3 382.548 3.884 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(OC)cc1CC ZINC001461584266 1069623226 /nfs/dbraw/zinc/62/32/26/1069623226.db2.gz HXKTURRQJORFFN-ISKFKSNPSA-N 1 3 382.548 3.884 20 0 GHADHO Brc1ccc(N2CC[NH2+]CC2)c(CN2CCC3(CCC3)CC2)c1 ZINC001222346381 1030083385 /nfs/dbraw/zinc/08/33/85/1030083385.db2.gz RBXBIJCIUBMGSK-UHFFFAOYSA-N 1 3 378.358 3.625 20 0 GHADHO FC(F)(F)c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC001222629712 1030249447 /nfs/dbraw/zinc/24/94/47/1030249447.db2.gz MDWXQNZUBOGPTI-BETUJISGSA-N 1 3 377.248 3.899 20 0 GHADHO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001218859489 1031120704 /nfs/dbraw/zinc/12/07/04/1031120704.db2.gz AXYNTDLNCMQQKH-QGZVFWFLSA-N 1 3 399.535 3.521 20 0 GHADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)cc1 ZINC001218972451 1031189111 /nfs/dbraw/zinc/18/91/11/1031189111.db2.gz OSWDAQZMZYZQAN-FQEVSTJZSA-N 1 3 381.520 3.710 20 0 GHADHO CC[N@H+](CCCC(=O)Nc1cccc2c1CNC2)[C@@H](C)Cc1ccc(O)cc1 ZINC001218993932 1031200789 /nfs/dbraw/zinc/20/07/89/1031200789.db2.gz YPZQTZOGFLCVCA-KRWDZBQOSA-N 1 3 381.520 3.667 20 0 GHADHO CC[N@@H+](CCCC(=O)Nc1cccc2c1CNC2)[C@@H](C)Cc1ccc(O)cc1 ZINC001218993932 1031200798 /nfs/dbraw/zinc/20/07/98/1031200798.db2.gz YPZQTZOGFLCVCA-KRWDZBQOSA-N 1 3 381.520 3.667 20 0 GHADHO N[C@H](CC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001218996422 1031201336 /nfs/dbraw/zinc/20/13/36/1031201336.db2.gz JDRQZOCAPMPPSP-MAUKXSAKSA-N 1 3 377.410 3.811 20 0 GHADHO Cc1cnc2c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cccc2c1Cl ZINC001219608868 1031520317 /nfs/dbraw/zinc/52/03/17/1031520317.db2.gz SQKMHIXWQGULQB-HNNXBMFYSA-N 1 3 391.947 3.590 20 0 GHADHO Cc1cnc2c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cccc2c1Cl ZINC001219608868 1031520335 /nfs/dbraw/zinc/52/03/35/1031520335.db2.gz SQKMHIXWQGULQB-HNNXBMFYSA-N 1 3 391.947 3.590 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001205615576 1033494552 /nfs/dbraw/zinc/49/45/52/1033494552.db2.gz RNCGQTYOUPZMQT-FDFHNCONSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001205615576 1033494558 /nfs/dbraw/zinc/49/45/58/1033494558.db2.gz RNCGQTYOUPZMQT-FDFHNCONSA-N 1 3 399.579 3.697 20 0 GHADHO CC[C@H](C)c1nc(Cl)c(C)c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158588893 1034180137 /nfs/dbraw/zinc/18/01/37/1034180137.db2.gz JFLKUNUEYUXBEW-AWEZNQCLSA-N 1 3 379.980 3.605 20 0 GHADHO CN1CCC(N(c2nc(Cl)cc(C3CCCCC3)n2)C2CC[NH2+]CC2)CC1 ZINC001158591173 1034183525 /nfs/dbraw/zinc/18/35/25/1034183525.db2.gz ORGRJMHURUOFIK-UHFFFAOYSA-N 1 3 391.991 3.830 20 0 GHADHO CC(C)(C)OC(=O)NC12CC(CCN3CCC([NH+]4CCC(F)CC4)CC3)(C1)C2 ZINC001207229923 1034195522 /nfs/dbraw/zinc/19/55/22/1034195522.db2.gz JRXIRKSEWDXGDL-UHFFFAOYSA-N 1 3 395.563 3.722 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001207376741 1034320507 /nfs/dbraw/zinc/32/05/07/1034320507.db2.gz ZQMDOOSDLYAQOI-ZJSXRUAMSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001207376741 1034320520 /nfs/dbraw/zinc/32/05/20/1034320520.db2.gz ZQMDOOSDLYAQOI-ZJSXRUAMSA-N 1 3 399.579 3.984 20 0 GHADHO C[NH+]1CCC(CCN2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001207488353 1034394296 /nfs/dbraw/zinc/39/42/96/1034394296.db2.gz JATFJKAUSGYHEX-NRFANRHFSA-N 1 3 387.568 3.670 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC[C@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635355 1034501087 /nfs/dbraw/zinc/50/10/87/1034501087.db2.gz JEQLUBGELCKBIE-WOJBJXKFSA-N 1 3 396.616 3.693 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(CC[C@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635355 1034501101 /nfs/dbraw/zinc/50/11/01/1034501101.db2.gz JEQLUBGELCKBIE-WOJBJXKFSA-N 1 3 396.616 3.693 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC[C@@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635354 1034501871 /nfs/dbraw/zinc/50/18/71/1034501871.db2.gz JEQLUBGELCKBIE-VQTJNVASSA-N 1 3 396.616 3.693 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(CC[C@@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635354 1034501879 /nfs/dbraw/zinc/50/18/79/1034501879.db2.gz JEQLUBGELCKBIE-VQTJNVASSA-N 1 3 396.616 3.693 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770291 1034566964 /nfs/dbraw/zinc/56/69/64/1034566964.db2.gz SZBGTKNLIQWLCG-YADHBBJMSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CC[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770291 1034566971 /nfs/dbraw/zinc/56/69/71/1034566971.db2.gz SZBGTKNLIQWLCG-YADHBBJMSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CCN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770291 1034566978 /nfs/dbraw/zinc/56/69/78/1034566978.db2.gz SZBGTKNLIQWLCG-YADHBBJMSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CCN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770291 1034566987 /nfs/dbraw/zinc/56/69/87/1034566987.db2.gz SZBGTKNLIQWLCG-YADHBBJMSA-N 1 3 399.579 3.697 20 0 GHADHO CCCC1(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207838445 1034616150 /nfs/dbraw/zinc/61/61/50/1034616150.db2.gz YLAPCBBBGLJJRU-GBESFXJTSA-N 1 3 379.589 3.734 20 0 GHADHO Cc1c(C)c(C)c(CN2CCCn3cnc(COCC[NH+](C)C)c3C2)c(C)c1C ZINC001231494022 1034638420 /nfs/dbraw/zinc/63/84/20/1034638420.db2.gz RHOCKKNUVSKHCY-UHFFFAOYSA-N 1 3 398.595 3.909 20 0 GHADHO CC1=C[C@H](C)[C@@H](C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CC1 ZINC001208175965 1034775925 /nfs/dbraw/zinc/77/59/25/1034775925.db2.gz OOBNPWWRWJCTGE-JTHBVZDNSA-N 1 3 383.580 3.988 20 0 GHADHO CN1C(=O)C[C@@H](c2ccccc2)C12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208192720 1034788687 /nfs/dbraw/zinc/78/86/87/1034788687.db2.gz XNVROHSDFPJSDN-NRFANRHFSA-N 1 3 383.580 3.589 20 0 GHADHO CN1CCN(Cc2ccc(Nc3ccc(CC4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001160015047 1034830071 /nfs/dbraw/zinc/83/00/71/1034830071.db2.gz SPABQRSOJOUBSK-UHFFFAOYSA-N 1 3 378.564 3.720 20 0 GHADHO C[N@@H+]1CCC[C@@H](CN2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606822 1034952224 /nfs/dbraw/zinc/95/22/24/1034952224.db2.gz HEHURWZWJQJILT-TZIWHRDSSA-N 1 3 399.579 3.665 20 0 GHADHO C[N@H+]1CCC[C@@H](CN2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606822 1034952229 /nfs/dbraw/zinc/95/22/29/1034952229.db2.gz HEHURWZWJQJILT-TZIWHRDSSA-N 1 3 399.579 3.665 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 ZINC001208621023 1034956454 /nfs/dbraw/zinc/95/64/54/1034956454.db2.gz JNSWSFVMMMHVME-FKBYEOEOSA-N 1 3 399.579 3.964 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CC3CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 ZINC001208621023 1034956457 /nfs/dbraw/zinc/95/64/57/1034956457.db2.gz JNSWSFVMMMHVME-FKBYEOEOSA-N 1 3 399.579 3.964 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC001208941601 1035109729 /nfs/dbraw/zinc/10/97/29/1035109729.db2.gz MRBBLHAVFGLFFP-BDTNDASRSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC001208941601 1035109735 /nfs/dbraw/zinc/10/97/35/1035109735.db2.gz MRBBLHAVFGLFFP-BDTNDASRSA-N 1 3 399.579 3.840 20 0 GHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942626 1035111911 /nfs/dbraw/zinc/11/19/11/1035111911.db2.gz QPAHZJWQQSFBNK-NHCUHLMSSA-N 1 3 387.568 3.840 20 0 GHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942626 1035111916 /nfs/dbraw/zinc/11/19/16/1035111916.db2.gz QPAHZJWQQSFBNK-NHCUHLMSSA-N 1 3 387.568 3.840 20 0 GHADHO C[C@@H]([C@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160994677 1035115071 /nfs/dbraw/zinc/11/50/71/1035115071.db2.gz BQJQSZCJDDMIGF-VJBMBRPKSA-N 1 3 397.563 3.713 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232148485 1035126322 /nfs/dbraw/zinc/12/63/22/1035126322.db2.gz CRFVTBKUUVRWRQ-HXUWFJFHSA-N 1 3 391.531 3.861 20 0 GHADHO CN1C(=O)C2(CCN(Cc3cc(F)cc(C[NH+](C)C)c3)CC2)[C@@H]1c1ccccc1 ZINC001232150999 1035128534 /nfs/dbraw/zinc/12/85/34/1035128534.db2.gz XFGDMXVCTDNDQM-QFIPXVFZSA-N 1 3 395.522 3.683 20 0 GHADHO Cc1ccc(CN(C(=O)C[C@@H]2Cc3ccccc3CN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161397229 1035222124 /nfs/dbraw/zinc/22/21/24/1035222124.db2.gz VLLSESDCZUKFIB-HJOGWXRNSA-N 1 3 391.559 3.698 20 0 GHADHO O=C(c1ccsc1)N1CCC2(CCN(CCC[NH+]3CCCCC3)C2)CC1 ZINC001209450839 1035277395 /nfs/dbraw/zinc/27/73/95/1035277395.db2.gz CUOWUGBFQKWVEB-UHFFFAOYSA-N 1 3 375.582 3.552 20 0 GHADHO COc1cc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cnc1OC ZINC001209612895 1035331093 /nfs/dbraw/zinc/33/10/93/1035331093.db2.gz OATFQWLTEHHGOF-FQEVSTJZSA-N 1 3 385.508 3.568 20 0 GHADHO COc1cc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cnc1OC ZINC001209612895 1035331099 /nfs/dbraw/zinc/33/10/99/1035331099.db2.gz OATFQWLTEHHGOF-FQEVSTJZSA-N 1 3 385.508 3.568 20 0 GHADHO c1cnn(-c2ccc(C[N@H+]3CCC[C@]4(CCN(Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771916 1036127178 /nfs/dbraw/zinc/12/71/78/1036127178.db2.gz AFQSFCXBNWDRBI-DEOSSOPVSA-N 1 3 387.531 3.755 20 0 GHADHO c1cnn(-c2ccc(C[N@@H+]3CCC[C@]4(CCN(Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771916 1036127186 /nfs/dbraw/zinc/12/71/86/1036127186.db2.gz AFQSFCXBNWDRBI-DEOSSOPVSA-N 1 3 387.531 3.755 20 0 GHADHO CC(C)N1CCN(c2ccc(-c3ccc(OCCC[NH+](C)C)cc3)cn2)CC1 ZINC001245336819 1036885096 /nfs/dbraw/zinc/88/50/96/1036885096.db2.gz RCQSXTDZVOUOOX-UHFFFAOYSA-N 1 3 382.552 3.610 20 0 GHADHO C[C@@](O)(CNC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1)c1ccccc1 ZINC001246004628 1037125879 /nfs/dbraw/zinc/12/58/79/1037125879.db2.gz DRVVCTXFFYVGLS-HXUWFJFHSA-N 1 3 392.465 3.867 20 0 GHADHO C[C@@](O)(C[NH2+]C1(Cc2ccc(C(F)(F)F)cc2)CCNCC1)c1ccccc1 ZINC001246004628 1037125892 /nfs/dbraw/zinc/12/58/92/1037125892.db2.gz DRVVCTXFFYVGLS-HXUWFJFHSA-N 1 3 392.465 3.867 20 0 GHADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC1(Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001246009220 1037129365 /nfs/dbraw/zinc/12/93/65/1037129365.db2.gz WPAXXHAICBXUOQ-VQTJNVASSA-N 1 3 392.465 3.691 20 0 GHADHO Cc1ccc(OC[C@H](O)CN[C@H](CC2CC[NH2+]CC2)c2ccccc2F)cc1 ZINC001246008461 1037129988 /nfs/dbraw/zinc/12/99/88/1037129988.db2.gz SYOUJXPEFZFTSG-AUSIDOKSSA-N 1 3 386.511 3.594 20 0 GHADHO CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246017888 1037138394 /nfs/dbraw/zinc/13/83/94/1037138394.db2.gz BWLDDARUDBNJKP-VQIMIIECSA-N 1 3 388.930 3.966 20 0 GHADHO Fc1cc(Br)c(F)c(CN[C@@H]2CCC3(C2)CC[NH2+]CC3)c1F ZINC001246079556 1037188986 /nfs/dbraw/zinc/18/89/86/1037188986.db2.gz CHGMYALYQWDIKC-SNVBAGLBSA-N 1 3 377.248 3.878 20 0 GHADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246292300 1037281694 /nfs/dbraw/zinc/28/16/94/1037281694.db2.gz WSLGAGNISYFDOT-SLSDLSHTSA-N 1 3 397.607 3.857 20 0 GHADHO Fc1ccc(F)c(CN2CCC([NH2+][C@@H]3CCN[C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246355381 1037313546 /nfs/dbraw/zinc/31/35/46/1037313546.db2.gz MPUHZVJAORIASP-DHIUTWEWSA-N 1 3 399.529 3.882 20 0 GHADHO Fc1cc(F)cc(CN2CCC([NH2+][C@H]3CCN[C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246357572 1037315130 /nfs/dbraw/zinc/31/51/30/1037315130.db2.gz BEMYENKENNHLNN-BJKOFHAPSA-N 1 3 399.529 3.882 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H](N[C@@H]2CCN(Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246362170 1037322445 /nfs/dbraw/zinc/32/24/45/1037322445.db2.gz NXLLDXZMOBLSOG-MQSCRBSSSA-N 1 3 385.502 3.930 20 0 GHADHO COc1ccc(CC2([NH2+]C3CCN(c4cccc(F)c4)CC3)CCNCC2)cc1 ZINC001246373892 1037330323 /nfs/dbraw/zinc/33/03/23/1037330323.db2.gz DAHOSBFRVXCIRO-UHFFFAOYSA-N 1 3 397.538 3.758 20 0 GHADHO COc1cccc(CC2([NH2+]C3CCN(c4ccc(F)cc4)CC3)CCNCC2)c1 ZINC001246378757 1037336926 /nfs/dbraw/zinc/33/69/26/1037336926.db2.gz SXKKRABJIXGNIR-UHFFFAOYSA-N 1 3 397.538 3.758 20 0 GHADHO COc1cccc(CC2([NH2+][C@H]3CCc4cc(F)cc(F)c4C3)CCNCC2)c1 ZINC001246378490 1037337807 /nfs/dbraw/zinc/33/78/07/1037337807.db2.gz RIWJOTKJKKVSIJ-IBGZPJMESA-N 1 3 386.486 3.785 20 0 GHADHO Cc1cc(F)ccc1[C@H]1C[C@H](N[C@H]2CCN(Cc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246398193 1037358803 /nfs/dbraw/zinc/35/88/03/1037358803.db2.gz VDBAWZIIJMTNFT-FUPPJEDESA-N 1 3 385.502 3.930 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H](NC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246430554 1037392408 /nfs/dbraw/zinc/39/24/08/1037392408.db2.gz NCFVXVHYYNCCAE-QAPCUYQASA-N 1 3 398.469 3.996 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246435182 1037397260 /nfs/dbraw/zinc/39/72/60/1037397260.db2.gz GHLZSLFADHAGPT-LPHOPBHVSA-N 1 3 378.944 3.716 20 0 GHADHO Brc1ccc2c(c1)C[C@H]([NH2+]C1(Cc3ccccc3)CCNCC1)C2 ZINC001246467824 1037421041 /nfs/dbraw/zinc/42/10/41/1037421041.db2.gz UZRTYJRRJLJLIA-HXUWFJFHSA-N 1 3 385.349 3.871 20 0 GHADHO COc1cc(NC(=O)C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)cc2ccccc21 ZINC001246487280 1037433323 /nfs/dbraw/zinc/43/33/23/1037433323.db2.gz KVYRGGOSMKETSR-UGKGYDQZSA-N 1 3 389.499 3.870 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](NC[C@@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246513148 1037451388 /nfs/dbraw/zinc/45/13/88/1037451388.db2.gz VZOCJRFJXDEEFA-SKDZVZGDSA-N 1 3 381.358 3.757 20 0 GHADHO C[NH2+]C[C@@H]1CCCN(C2CCC(C(=O)OC)(c3ccc(Cl)cc3)CC2)C1 ZINC001246554434 1037480950 /nfs/dbraw/zinc/48/09/50/1037480950.db2.gz ZSUYQYVWCBJYQX-YQHFOJDRSA-N 1 3 378.944 3.625 20 0 GHADHO Brc1ccc(N2CCC(N3CCC[C@@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246608632 1037503964 /nfs/dbraw/zinc/50/39/64/1037503964.db2.gz IAMNMCDURHEHGB-HXUWFJFHSA-N 1 3 392.385 3.884 20 0 GHADHO C[C@@H](Cc1cccnc1)[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617720 1037506256 /nfs/dbraw/zinc/50/62/56/1037506256.db2.gz FWSMRRCHMCQMGI-REWPJTCUSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H](Cc1cccnc1)[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617720 1037506273 /nfs/dbraw/zinc/50/62/73/1037506273.db2.gz FWSMRRCHMCQMGI-REWPJTCUSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H](Cc1cccnc1)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617720 1037506287 /nfs/dbraw/zinc/50/62/87/1037506287.db2.gz FWSMRRCHMCQMGI-REWPJTCUSA-N 1 3 379.548 3.816 20 0 GHADHO Clc1ccc(N2CCC([N@@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)CC2)cc1 ZINC001246623695 1037511291 /nfs/dbraw/zinc/51/12/91/1037511291.db2.gz MDCYESOEALEZSY-QFIPXVFZSA-N 1 3 381.951 3.998 20 0 GHADHO Clc1ccc(N2CCC([N@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)CC2)cc1 ZINC001246623695 1037511296 /nfs/dbraw/zinc/51/12/96/1037511296.db2.gz MDCYESOEALEZSY-QFIPXVFZSA-N 1 3 381.951 3.998 20 0 GHADHO Clc1ccc(N2CCC(N3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246623695 1037511303 /nfs/dbraw/zinc/51/13/03/1037511303.db2.gz MDCYESOEALEZSY-QFIPXVFZSA-N 1 3 381.951 3.998 20 0 GHADHO COc1cccc2c1CC[C@H]([N@@H+]1CC[C@@]3(c4ccccc4)CCNC[C@@H]3C1)C2 ZINC001246674483 1037541249 /nfs/dbraw/zinc/54/12/49/1037541249.db2.gz UIGURAWIZPPZPR-OTNCWRBYSA-N 1 3 376.544 3.806 20 0 GHADHO COc1cccc2c1CC[C@H]([N@H+]1CC[C@@]3(c4ccccc4)CCNC[C@@H]3C1)C2 ZINC001246674483 1037541261 /nfs/dbraw/zinc/54/12/61/1037541261.db2.gz UIGURAWIZPPZPR-OTNCWRBYSA-N 1 3 376.544 3.806 20 0 GHADHO CC[C@@H]1C[C@H](N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@H](CC)[NH2+]1 ZINC001246722388 1037572622 /nfs/dbraw/zinc/57/26/22/1037572622.db2.gz NQFXQODGTXPDIA-HIUFNZKISA-N 1 3 389.609 3.985 20 0 GHADHO CC[C@@H]1[N@@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727755 1037576943 /nfs/dbraw/zinc/57/69/43/1037576943.db2.gz WDYLTUNNVKCPDV-SRYPRDQNSA-N 1 3 375.601 3.799 20 0 GHADHO CC[C@@H]1[N@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727755 1037576966 /nfs/dbraw/zinc/57/69/66/1037576966.db2.gz WDYLTUNNVKCPDV-SRYPRDQNSA-N 1 3 375.601 3.799 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)c2ccccc21 ZINC001246753455 1037593908 /nfs/dbraw/zinc/59/39/08/1037593908.db2.gz LZJIQHCMOFHYBC-NJDAHSKKSA-N 1 3 397.607 3.907 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)c2ccccc21 ZINC001246753455 1037593925 /nfs/dbraw/zinc/59/39/25/1037593925.db2.gz LZJIQHCMOFHYBC-NJDAHSKKSA-N 1 3 397.607 3.907 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246914783 1037721435 /nfs/dbraw/zinc/72/14/35/1037721435.db2.gz CNBUHEUFURIDPH-IVAOSVALSA-N 1 3 376.516 3.890 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246958763 1037774920 /nfs/dbraw/zinc/77/49/20/1037774920.db2.gz GTPKSCHJKOVKQJ-UWJYYQICSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246958763 1037774942 /nfs/dbraw/zinc/77/49/42/1037774942.db2.gz GTPKSCHJKOVKQJ-UWJYYQICSA-N 1 3 376.516 3.810 20 0 GHADHO C([C@@H]1CCCNC1)[N@H+](C1CC1)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246977367 1037802460 /nfs/dbraw/zinc/80/24/60/1037802460.db2.gz ZAEFLFYYHAIJCV-LWEYNCJUSA-N 1 3 376.585 3.943 20 0 GHADHO C([C@@H]1CCCNC1)[N@@H+](C1CC1)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246977367 1037802486 /nfs/dbraw/zinc/80/24/86/1037802486.db2.gz ZAEFLFYYHAIJCV-LWEYNCJUSA-N 1 3 376.585 3.943 20 0 GHADHO C([C@H]1CCCNC1)[N@H+](C1CC1)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246977364 1037803076 /nfs/dbraw/zinc/80/30/76/1037803076.db2.gz ZAEFLFYYHAIJCV-JSOIOWGOSA-N 1 3 376.585 3.943 20 0 GHADHO C([C@H]1CCCNC1)[N@@H+](C1CC1)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246977364 1037803093 /nfs/dbraw/zinc/80/30/93/1037803093.db2.gz ZAEFLFYYHAIJCV-JSOIOWGOSA-N 1 3 376.585 3.943 20 0 GHADHO CSc1ccc(Cl)cc1CN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277688884 1038394639 /nfs/dbraw/zinc/39/46/39/1038394639.db2.gz OYACCNUOEGRNOA-FQEVSTJZSA-N 1 3 396.000 3.581 20 0 GHADHO CN(Cc1cc(Br)c[nH]c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001233184120 1038956310 /nfs/dbraw/zinc/95/63/10/1038956310.db2.gz LRESJYZCYHBKCR-UHFFFAOYSA-N 1 3 390.325 3.646 20 0 GHADHO Cc1cc(C)cc(OC[C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254046762 1039974604 /nfs/dbraw/zinc/97/46/04/1039974604.db2.gz BIIDNANUVXNCJU-NRFANRHFSA-N 1 3 382.548 3.687 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[C@H]1C ZINC001254369863 1040197380 /nfs/dbraw/zinc/19/73/80/1040197380.db2.gz WDJJKAQKJZNEOS-FCEUIQTBSA-N 1 3 386.584 3.555 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[C@H]1C ZINC001254369863 1040197389 /nfs/dbraw/zinc/19/73/89/1040197389.db2.gz WDJJKAQKJZNEOS-FCEUIQTBSA-N 1 3 386.584 3.555 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254754824 1040516398 /nfs/dbraw/zinc/51/63/98/1040516398.db2.gz NWIDBMZIBVFMDM-HSALFYBXSA-N 1 3 391.600 3.830 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254754824 1040516413 /nfs/dbraw/zinc/51/64/13/1040516413.db2.gz NWIDBMZIBVFMDM-HSALFYBXSA-N 1 3 391.600 3.830 20 0 GHADHO CCCN(CCC[NH+](C)C)Cc1ccc(-n2ccnc2)c(Br)c1 ZINC001235038375 1040532393 /nfs/dbraw/zinc/53/23/93/1040532393.db2.gz IEOWEMIEHXFAEY-UHFFFAOYSA-N 1 3 379.346 3.799 20 0 GHADHO Nc1c(Br)cccc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235089098 1040578284 /nfs/dbraw/zinc/57/82/84/1040578284.db2.gz CAHQZOCYTNSHED-UHFFFAOYSA-N 1 3 386.337 3.668 20 0 GHADHO COc1cc(-c2ccc[nH]2)[nH]c1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235092658 1040582904 /nfs/dbraw/zinc/58/29/04/1040582904.db2.gz YAYGJEHHBYHEQJ-UHFFFAOYSA-N 1 3 376.504 3.655 20 0 GHADHO COc1cc(Br)c(CN2CCCC[C@@H]2C2CC[NH2+]CC2)cc1OC ZINC001235151912 1040643083 /nfs/dbraw/zinc/64/30/83/1040643083.db2.gz JPBBEXURVXMJMR-QGZVFWFLSA-N 1 3 397.357 3.820 20 0 GHADHO COc1cc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)cc(Br)c1OC ZINC001235157980 1040651779 /nfs/dbraw/zinc/65/17/79/1040651779.db2.gz SVUBOHVCGJPLSJ-QGZVFWFLSA-N 1 3 397.357 3.820 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](N3CCC(C)([NH+]4CCCC4)CC3)C[C@@H]2C1 ZINC001254914501 1040664935 /nfs/dbraw/zinc/66/49/35/1040664935.db2.gz YRLCMEABFJIGKA-REPLKXPHSA-N 1 3 377.573 3.582 20 0 GHADHO COc1cc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(F)cn1 ZINC001235316204 1040790523 /nfs/dbraw/zinc/79/05/23/1040790523.db2.gz JGEODUCBXBIJHA-UHFFFAOYSA-N 1 3 384.499 3.501 20 0 GHADHO COc1cc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(F)cn1 ZINC001235316204 1040790550 /nfs/dbraw/zinc/79/05/50/1040790550.db2.gz JGEODUCBXBIJHA-UHFFFAOYSA-N 1 3 384.499 3.501 20 0 GHADHO O=C1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1Cc1ccccc1 ZINC001255125249 1040817794 /nfs/dbraw/zinc/81/77/94/1040817794.db2.gz UQWPSNXBQXQCHC-XQUALCHDSA-N 1 3 389.543 3.573 20 0 GHADHO COCC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC001255135272 1040835149 /nfs/dbraw/zinc/83/51/49/1040835149.db2.gz IFEFAQIMDJDYME-JOZNFPNDSA-N 1 3 376.544 3.956 20 0 GHADHO COCC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC001255135272 1040835158 /nfs/dbraw/zinc/83/51/58/1040835158.db2.gz IFEFAQIMDJDYME-JOZNFPNDSA-N 1 3 376.544 3.956 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC(Oc4cnccn4)CC2)C3)cc1 ZINC001255146460 1040861494 /nfs/dbraw/zinc/86/14/94/1040861494.db2.gz GYYXOWYINZAPPU-AERCQKQUSA-N 1 3 378.520 3.515 20 0 GHADHO Cc1ccc(OCc2ccccc2)c(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1 ZINC001235368366 1040864422 /nfs/dbraw/zinc/86/44/22/1040864422.db2.gz MWIUVMKXBAQBDZ-WMTXJRDZSA-N 1 3 378.516 3.527 20 0 GHADHO COC(=O)[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Cc2ccccc21 ZINC001255151795 1040874783 /nfs/dbraw/zinc/87/47/83/1040874783.db2.gz YGQVVNLSQVPNQQ-NXYDZRKXSA-N 1 3 390.527 3.954 20 0 GHADHO COC(=O)[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Cc2ccccc21 ZINC001255151795 1040874802 /nfs/dbraw/zinc/87/48/02/1040874802.db2.gz YGQVVNLSQVPNQQ-NXYDZRKXSA-N 1 3 390.527 3.954 20 0 GHADHO Ic1ccccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429098 1040929861 /nfs/dbraw/zinc/92/98/61/1040929861.db2.gz XBXHZLYNJYLFFB-CABCVRRESA-N 1 3 384.305 3.503 20 0 GHADHO Cc1c(I)cccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432858 1040933452 /nfs/dbraw/zinc/93/34/52/1040933452.db2.gz WSVXBWSTTOGUIT-NVXWUHKLSA-N 1 3 398.332 3.811 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H](N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001255350062 1040955443 /nfs/dbraw/zinc/95/54/43/1040955443.db2.gz OOUIHJKNMABICT-PKOBYXMFSA-N 1 3 378.944 3.798 20 0 GHADHO CC(C)(C)OC(=O)NCCN1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001235527745 1040975998 /nfs/dbraw/zinc/97/59/98/1040975998.db2.gz WSAVUNWJFYKVLE-UHFFFAOYSA-N 1 3 379.570 3.561 20 0 GHADHO CC(C)(C)OC(=O)NCCN1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001235527745 1040976002 /nfs/dbraw/zinc/97/60/02/1040976002.db2.gz WSAVUNWJFYKVLE-UHFFFAOYSA-N 1 3 379.570 3.561 20 0 GHADHO COC(=O)C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391666 1040980856 /nfs/dbraw/zinc/98/08/56/1040980856.db2.gz BFVCYFLWTYFOKF-FYYLOGMGSA-N 1 3 396.531 3.944 20 0 GHADHO Cc1noc([C@H]2C[C@@H]3CC[N@@H+]([C@H]4CCCN(Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401075 1040988116 /nfs/dbraw/zinc/98/81/16/1040988116.db2.gz QXCOSPVQEZIKTE-FNAHDJPLSA-N 1 3 396.535 3.585 20 0 GHADHO Cc1noc([C@H]2C[C@@H]3CC[N@H+]([C@H]4CCCN(Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401075 1040988118 /nfs/dbraw/zinc/98/81/18/1040988118.db2.gz QXCOSPVQEZIKTE-FNAHDJPLSA-N 1 3 396.535 3.585 20 0 GHADHO O=C(NC1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1)C1CCCC1 ZINC001255405445 1040992993 /nfs/dbraw/zinc/99/29/93/1040992993.db2.gz NLOYWDROUYHJGM-QHCPKHFHSA-N 1 3 383.580 3.812 20 0 GHADHO O=C(NC1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1)C1CCCC1 ZINC001255405445 1040992994 /nfs/dbraw/zinc/99/29/94/1040992994.db2.gz NLOYWDROUYHJGM-QHCPKHFHSA-N 1 3 383.580 3.812 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255592357 1041151172 /nfs/dbraw/zinc/15/11/72/1041151172.db2.gz HBRZMUCKTCMUMH-GUDVDZBRSA-N 1 3 391.531 3.907 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001255606798 1041161879 /nfs/dbraw/zinc/16/18/79/1041161879.db2.gz FWUMGRADYLTYQT-NZQKXSOJSA-N 1 3 385.552 3.594 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001255606798 1041161892 /nfs/dbraw/zinc/16/18/92/1041161892.db2.gz FWUMGRADYLTYQT-NZQKXSOJSA-N 1 3 385.552 3.594 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235689410 1041162037 /nfs/dbraw/zinc/16/20/37/1041162037.db2.gz PJQZKUBGCFIPEK-KRWDZBQOSA-N 1 3 398.482 3.551 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235689410 1041162048 /nfs/dbraw/zinc/16/20/48/1041162048.db2.gz PJQZKUBGCFIPEK-KRWDZBQOSA-N 1 3 398.482 3.551 20 0 GHADHO COc1cccc(OC)c1CN1CCC([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC001255922707 1041410127 /nfs/dbraw/zinc/41/01/27/1041410127.db2.gz PINUAXMUYIAHHK-IBGZPJMESA-N 1 3 389.584 3.522 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCCC[C@@]12CN(C(=O)OC(C)(C)C)CCO2 ZINC001255943514 1041430612 /nfs/dbraw/zinc/43/06/12/1041430612.db2.gz NOTICEFXMWWRBT-XQBPLPMBSA-N 1 3 397.604 3.645 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCCC[C@@]12CN(C(=O)OC(C)(C)C)CCO2 ZINC001255943514 1041430615 /nfs/dbraw/zinc/43/06/15/1041430615.db2.gz NOTICEFXMWWRBT-XQBPLPMBSA-N 1 3 397.604 3.645 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N1C[C@H]2Cc3c(c(-c4cccc(OC)c4)nn3C)[C@H]2C1 ZINC001255958594 1041436861 /nfs/dbraw/zinc/43/68/61/1041436861.db2.gz DQAFTZJGKMBSEP-QFUCXCTJSA-N 1 3 396.579 3.788 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960022 1041437821 /nfs/dbraw/zinc/43/78/21/1041437821.db2.gz CPOWPHSMDKQJHB-IIBYNOLFSA-N 1 3 379.495 3.514 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960022 1041437827 /nfs/dbraw/zinc/43/78/27/1041437827.db2.gz CPOWPHSMDKQJHB-IIBYNOLFSA-N 1 3 379.495 3.514 20 0 GHADHO CCCN(Cc1cccc(N2CC[NH2+]CC2)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC001236089749 1041528353 /nfs/dbraw/zinc/52/83/53/1041528353.db2.gz XHXLRKGMLHZCCU-HXUWFJFHSA-N 1 3 394.563 3.644 20 0 GHADHO CCCN(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC001236324535 1041671315 /nfs/dbraw/zinc/67/13/15/1041671315.db2.gz WYKZSTPCKNNAOG-DEOSSOPVSA-N 1 3 392.591 3.583 20 0 GHADHO CCN([C@H]1CCOC1)C1CC[NH+](C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001256314496 1041699308 /nfs/dbraw/zinc/69/93/08/1041699308.db2.gz JAZFROWPMAHCGP-QFIPXVFZSA-N 1 3 391.987 3.884 20 0 GHADHO COC(=O)c1ccccc1CN(Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236544922 1041757748 /nfs/dbraw/zinc/75/77/48/1041757748.db2.gz WMLWFGNCUXWLOQ-MXVIHJGJSA-N 1 3 382.504 3.754 20 0 GHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@@H]12 ZINC001236832661 1041921204 /nfs/dbraw/zinc/92/12/04/1041921204.db2.gz WOZRVYQREDYIDX-CGTJXYLNSA-N 1 3 377.410 3.816 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cc(O)cc4ccccc43)C2)C1 ZINC001237069631 1042020318 /nfs/dbraw/zinc/02/03/18/1042020318.db2.gz QVCULDDJHDYJLI-ZJSXRUAMSA-N 1 3 380.532 3.726 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cc(O)cc4ccccc43)C2)C1 ZINC001237069631 1042020321 /nfs/dbraw/zinc/02/03/21/1042020321.db2.gz QVCULDDJHDYJLI-ZJSXRUAMSA-N 1 3 380.532 3.726 20 0 GHADHO CC[C@H](CCC(=O)OC)C[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001278104658 1042230922 /nfs/dbraw/zinc/23/09/22/1042230922.db2.gz KAZNESVCBIDRPB-MRXNPFEDSA-N 1 3 378.479 3.706 20 0 GHADHO Cc1cc(I)c(CN2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC001238143299 1042502743 /nfs/dbraw/zinc/50/27/43/1042502743.db2.gz YRSAGUNNKBIPTP-UHFFFAOYSA-N 1 3 398.332 3.826 20 0 GHADHO COc1cc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cnc1F ZINC001238451904 1042600215 /nfs/dbraw/zinc/60/02/15/1042600215.db2.gz OZQVHYQFXWUEHN-UHFFFAOYSA-N 1 3 384.499 3.501 20 0 GHADHO COc1cc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cnc1F ZINC001238451904 1042600219 /nfs/dbraw/zinc/60/02/19/1042600219.db2.gz OZQVHYQFXWUEHN-UHFFFAOYSA-N 1 3 384.499 3.501 20 0 GHADHO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001462674903 1070462687 /nfs/dbraw/zinc/46/26/87/1070462687.db2.gz ZXVLWBBFHAQCCS-OUUBHVDSSA-N 1 3 379.589 3.875 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC[NH+](C(C)C)C(C)C ZINC001291472288 1043286752 /nfs/dbraw/zinc/28/67/52/1043286752.db2.gz OGRKIGFELXMDLL-ZCNNSNEGSA-N 1 3 392.636 3.829 20 0 GHADHO C[C@H]1C[C@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541683 1043494243 /nfs/dbraw/zinc/49/42/43/1043494243.db2.gz MPBPBUFEFCPZIU-PZJWPPBQSA-N 1 3 399.579 3.982 20 0 GHADHO C[C@H]1C[C@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541683 1043494247 /nfs/dbraw/zinc/49/42/47/1043494247.db2.gz MPBPBUFEFCPZIU-PZJWPPBQSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001256541794 1043494359 /nfs/dbraw/zinc/49/43/59/1043494359.db2.gz JCFDYNSDDSBWEX-ICDZXHCJSA-N 1 3 399.623 3.862 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@H+]([C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001256541794 1043494362 /nfs/dbraw/zinc/49/43/62/1043494362.db2.gz JCFDYNSDDSBWEX-ICDZXHCJSA-N 1 3 399.623 3.862 20 0 GHADHO Cc1cccnc1N1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550868 1043513502 /nfs/dbraw/zinc/51/35/02/1043513502.db2.gz NXZKEVVKHGRVBP-FYYLOGMGSA-N 1 3 378.564 3.955 20 0 GHADHO Cc1cccnc1N1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550868 1043513509 /nfs/dbraw/zinc/51/35/09/1043513509.db2.gz NXZKEVVKHGRVBP-FYYLOGMGSA-N 1 3 378.564 3.955 20 0 GHADHO C[C@H]1C[C@@H](n2nc(C(F)(F)F)c3c2CCNC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552942 1043518222 /nfs/dbraw/zinc/51/82/22/1043518222.db2.gz DIFTZPMBSVGZLQ-HOCLYGCPSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@H]1C[C@@H](n2nc(C(F)(F)F)c3c2CCNC3)CC[N@H+]1Cc1ccccc1 ZINC001256552942 1043518235 /nfs/dbraw/zinc/51/82/35/1043518235.db2.gz DIFTZPMBSVGZLQ-HOCLYGCPSA-N 1 3 378.442 3.773 20 0 GHADHO [NH3+]C1(c2ccccc2Cl)CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256584047 1043553958 /nfs/dbraw/zinc/55/39/58/1043553958.db2.gz CFYZNDQFKFAHJU-UHFFFAOYSA-N 1 3 384.955 3.649 20 0 GHADHO c1ccc2c(c1)c(C1CC[NH2+]CC1)nn2C1CCN(Cc2ccncc2)CC1 ZINC001256595931 1043561430 /nfs/dbraw/zinc/56/14/30/1043561430.db2.gz HEAMCKTXYSYVGY-UHFFFAOYSA-N 1 3 375.520 3.735 20 0 GHADHO Clc1ccc(Br)cc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679136 1043616815 /nfs/dbraw/zinc/61/68/15/1043616815.db2.gz FGWCRPIBMRRKJX-UHFFFAOYSA-N 1 3 387.749 3.836 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687155 1043621982 /nfs/dbraw/zinc/62/19/82/1043621982.db2.gz OLJKYWPMDQPSSQ-XPPIMPSXSA-N 1 3 385.596 3.520 20 0 GHADHO c1ccc([C@H]2C[C@H]([N@H+]3C[C@@H]4CN(CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815423 1043671770 /nfs/dbraw/zinc/67/17/70/1043671770.db2.gz SEFOVSOTOIDWIK-OLKYXYMISA-N 1 3 384.564 3.730 20 0 GHADHO c1ccc([C@H]2C[C@H]([N@@H+]3C[C@@H]4CN(CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815423 1043671776 /nfs/dbraw/zinc/67/17/76/1043671776.db2.gz SEFOVSOTOIDWIK-OLKYXYMISA-N 1 3 384.564 3.730 20 0 GHADHO CC(C)N1CCC([NH2+]Cc2ccc(CC(=O)OCc3ccccc3)cc2)CC1 ZINC001257207970 1043937668 /nfs/dbraw/zinc/93/76/68/1043937668.db2.gz BNUUEXRXFORLLH-UHFFFAOYSA-N 1 3 380.532 3.935 20 0 GHADHO Cc1c[nH+]ccc1N1CCN(C2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001257591010 1044073913 /nfs/dbraw/zinc/07/39/13/1044073913.db2.gz FBXAOIALJJZJHZ-ROUUACIJSA-N 1 3 388.556 3.689 20 0 GHADHO CN1CC2(C1)CC[NH+]([C@@H]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2 ZINC001257817286 1044199297 /nfs/dbraw/zinc/19/92/97/1044199297.db2.gz XPTDVGFFGARECJ-WIYYLYMNSA-N 1 3 377.573 3.584 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001258013219 1044339168 /nfs/dbraw/zinc/33/91/68/1044339168.db2.gz NDNMVBPTBPUXFK-KNQAVFIVSA-N 1 3 397.579 3.778 20 0 GHADHO CC(C)CN1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001258013219 1044339180 /nfs/dbraw/zinc/33/91/80/1044339180.db2.gz NDNMVBPTBPUXFK-KNQAVFIVSA-N 1 3 397.579 3.778 20 0 GHADHO [NH3+]C1(Cc2ccccn2)CCN(C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258540336 1044616989 /nfs/dbraw/zinc/61/69/89/1044616989.db2.gz ZMTAHGZQPFIZIK-UHFFFAOYSA-N 1 3 384.955 3.740 20 0 GHADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC001294967575 1044857038 /nfs/dbraw/zinc/85/70/38/1044857038.db2.gz UGLQEJAQGRXQBC-KTDPBYDISA-N 1 3 383.580 3.522 20 0 GHADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC001294967575 1044857062 /nfs/dbraw/zinc/85/70/62/1044857062.db2.gz UGLQEJAQGRXQBC-KTDPBYDISA-N 1 3 383.580 3.522 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001258909523 1044864208 /nfs/dbraw/zinc/86/42/08/1044864208.db2.gz GILVOHMMGRRDIC-IBGZPJMESA-N 1 3 397.604 3.599 20 0 GHADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCN1C1CCCC1 ZINC001303541120 1047420789 /nfs/dbraw/zinc/42/07/89/1047420789.db2.gz WSGQOGQKZBYXCA-UYAOXDASSA-N 1 3 387.543 3.513 20 0 GHADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCN1C1CCCC1 ZINC001303541120 1047420790 /nfs/dbraw/zinc/42/07/90/1047420790.db2.gz WSGQOGQKZBYXCA-UYAOXDASSA-N 1 3 387.543 3.513 20 0 GHADHO Fc1cc(Cl)ccc1CN1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279399674 1047793950 /nfs/dbraw/zinc/79/39/50/1047793950.db2.gz FGYUYPVSHVAPBQ-CALCHBBNSA-N 1 3 376.907 3.520 20 0 GHADHO Fc1cc(Cl)ccc1CN1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279399674 1047793956 /nfs/dbraw/zinc/79/39/56/1047793956.db2.gz FGYUYPVSHVAPBQ-CALCHBBNSA-N 1 3 376.907 3.520 20 0 GHADHO Fc1c(Cl)cccc1CN1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279439158 1047806713 /nfs/dbraw/zinc/80/67/13/1047806713.db2.gz KMXDNGSFMCVLDI-CALCHBBNSA-N 1 3 376.907 3.520 20 0 GHADHO Fc1c(Cl)cccc1CN1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279439158 1047806715 /nfs/dbraw/zinc/80/67/15/1047806715.db2.gz KMXDNGSFMCVLDI-CALCHBBNSA-N 1 3 376.907 3.520 20 0 GHADHO Cc1ccc(F)c(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001279445878 1047811103 /nfs/dbraw/zinc/81/11/03/1047811103.db2.gz RJXTUAWQXQFUIN-CALCHBBNSA-N 1 3 376.907 3.855 20 0 GHADHO Cc1ccc(F)c(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001279445878 1047811110 /nfs/dbraw/zinc/81/11/10/1047811110.db2.gz RJXTUAWQXQFUIN-CALCHBBNSA-N 1 3 376.907 3.855 20 0 GHADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=S)NCCC[NH+](CC)CC ZINC001279993791 1048031226 /nfs/dbraw/zinc/03/12/26/1048031226.db2.gz QWIZSIHTLFHUGB-SLFFLAALSA-N 1 3 382.662 3.568 20 0 GHADHO Cc1ccc(F)cc1NC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307495876 1049334417 /nfs/dbraw/zinc/33/44/17/1049334417.db2.gz HKPRXCCAKFAKRN-FQEVSTJZSA-N 1 3 383.511 3.917 20 0 GHADHO Cc1ccc(F)cc1NC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307495876 1049334430 /nfs/dbraw/zinc/33/44/30/1049334430.db2.gz HKPRXCCAKFAKRN-FQEVSTJZSA-N 1 3 383.511 3.917 20 0 GHADHO COCC[N@H+](C)CCCC1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC001307591079 1049428995 /nfs/dbraw/zinc/42/89/95/1049428995.db2.gz FDYRQZIQKDAISL-QGZVFWFLSA-N 1 3 380.529 3.506 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC001307591079 1049429001 /nfs/dbraw/zinc/42/90/01/1049429001.db2.gz FDYRQZIQKDAISL-QGZVFWFLSA-N 1 3 380.529 3.506 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001290890852 1049945389 /nfs/dbraw/zinc/94/53/89/1049945389.db2.gz HKQLUPVMOZMFLT-MBSDFSHPSA-N 1 3 389.559 3.747 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001290890852 1049945391 /nfs/dbraw/zinc/94/53/91/1049945391.db2.gz HKQLUPVMOZMFLT-MBSDFSHPSA-N 1 3 389.559 3.747 20 0 GHADHO COCn1ncc(C)c1CNCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC001327631895 1050237808 /nfs/dbraw/zinc/23/78/08/1050237808.db2.gz KLHYVWMGLJKFKX-UHFFFAOYSA-N 1 3 378.520 3.814 20 0 GHADHO CC(C)n1ncc2cc(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c(Cl)nc21 ZINC001335581556 1052134793 /nfs/dbraw/zinc/13/47/93/1052134793.db2.gz FDLWNMROBMUQBC-QILLFSRXSA-N 1 3 375.948 3.828 20 0 GHADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC001312108718 1052577169 /nfs/dbraw/zinc/57/71/69/1052577169.db2.gz VZVNKYUOWDFSMA-QFIPXVFZSA-N 1 3 388.600 3.564 20 0 GHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2)C1 ZINC001319785123 1055467455 /nfs/dbraw/zinc/46/74/55/1055467455.db2.gz SQFWUKBAFBVGEF-PTUXOGIPSA-N 1 3 383.580 3.924 20 0 GHADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1Cl ZINC001320834718 1055980180 /nfs/dbraw/zinc/98/01/80/1055980180.db2.gz ZEHXASAMXRNZOJ-UHFFFAOYSA-N 1 3 399.366 3.982 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OCc1ccccc1 ZINC001474758245 1056282203 /nfs/dbraw/zinc/28/22/03/1056282203.db2.gz ZXSOXEOQPBWUGC-VABKMULXSA-N 1 3 393.531 3.556 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OCc1ccccc1 ZINC001474758245 1056282219 /nfs/dbraw/zinc/28/22/19/1056282219.db2.gz ZXSOXEOQPBWUGC-VABKMULXSA-N 1 3 393.531 3.556 20 0 GHADHO O=C(NCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OCc1ccccc1 ZINC001474758245 1056282234 /nfs/dbraw/zinc/28/22/34/1056282234.db2.gz ZXSOXEOQPBWUGC-VABKMULXSA-N 1 3 393.531 3.556 20 0 GHADHO CC[N@@H+](Cc1ccc(/C=C/C(=O)OC)o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000848889044 1057398867 /nfs/dbraw/zinc/39/88/67/1057398867.db2.gz GLYWRKQRTFSGMO-SGWGQVFISA-N 1 3 382.504 3.810 20 0 GHADHO CC[N@H+](Cc1ccc(/C=C/C(=O)OC)o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000848889044 1057398876 /nfs/dbraw/zinc/39/88/76/1057398876.db2.gz GLYWRKQRTFSGMO-SGWGQVFISA-N 1 3 382.504 3.810 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001326227294 1057437847 /nfs/dbraw/zinc/43/78/47/1057437847.db2.gz JRRDPZOSRYGKII-RBBKRZOGSA-N 1 3 383.580 3.588 20 0 GHADHO CCCCNC(=[NH2+])NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000849070908 1057580205 /nfs/dbraw/zinc/58/02/05/1057580205.db2.gz OJUNPBCNHCRHOE-UHFFFAOYSA-N 1 3 399.505 3.522 20 0 GHADHO [NH2+]=C(NCc1csc(-c2ccco2)n1)NC1CCN(Cc2ccccc2)CC1 ZINC000849092108 1057591583 /nfs/dbraw/zinc/59/15/83/1057591583.db2.gz DZRLLODYYAMJQF-UHFFFAOYSA-N 1 3 395.532 3.682 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001441370706 1058770599 /nfs/dbraw/zinc/77/05/99/1058770599.db2.gz KAMUMHWQHHORMU-WZONZLPQSA-N 1 3 389.559 3.890 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001441370706 1058770619 /nfs/dbraw/zinc/77/06/19/1058770619.db2.gz KAMUMHWQHHORMU-WZONZLPQSA-N 1 3 389.559 3.890 20 0 GHADHO C[NH+](C)CCc1cccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC001443155086 1059075478 /nfs/dbraw/zinc/07/54/78/1059075478.db2.gz GBXXANVDGKOKJW-QHCPKHFHSA-N 1 3 379.548 3.748 20 0 GHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001477597834 1078484116 /nfs/dbraw/zinc/48/41/16/1078484116.db2.gz GECKENGHQQSMAA-VQIMIIECSA-N 1 3 394.991 3.752 20 0 GHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001477597834 1078484118 /nfs/dbraw/zinc/48/41/18/1078484118.db2.gz GECKENGHQQSMAA-VQIMIIECSA-N 1 3 394.991 3.752 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](CC3CC3)CC2)N2CCCC2)cc1 ZINC001477674862 1078521084 /nfs/dbraw/zinc/52/10/84/1078521084.db2.gz RWGRTOMEWLXSIG-QHCPKHFHSA-N 1 3 398.595 3.553 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468020644 1067569264 /nfs/dbraw/zinc/56/92/64/1067569264.db2.gz SNNVADCDQYCAIL-XXBNENTESA-N 1 3 396.579 3.671 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC001468020644 1067569269 /nfs/dbraw/zinc/56/92/69/1067569269.db2.gz SNNVADCDQYCAIL-XXBNENTESA-N 1 3 396.579 3.671 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001468173023 1067619898 /nfs/dbraw/zinc/61/98/98/1067619898.db2.gz APZAVLHBARMIPP-URLVKDPJSA-N 1 3 386.584 3.632 20 0 GHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001468351926 1067699062 /nfs/dbraw/zinc/69/90/62/1067699062.db2.gz SHXYHAZXKYPHKX-CTNGQTDRSA-N 1 3 388.600 3.798 20 0 GHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001468351926 1067699064 /nfs/dbraw/zinc/69/90/64/1067699064.db2.gz SHXYHAZXKYPHKX-CTNGQTDRSA-N 1 3 388.600 3.798 20 0 GHADHO C[N@@H+]1CCC[C@]2(CCN(Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001460148928 1068814120 /nfs/dbraw/zinc/81/41/20/1068814120.db2.gz CAKYFUDOTODDPR-DEOSSOPVSA-N 1 3 399.579 3.898 20 0 GHADHO C[N@H+]1CCC[C@]2(CCN(Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001460148928 1068814129 /nfs/dbraw/zinc/81/41/29/1068814129.db2.gz CAKYFUDOTODDPR-DEOSSOPVSA-N 1 3 399.579 3.898 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC001478772729 1078983332 /nfs/dbraw/zinc/98/33/32/1078983332.db2.gz YGHNZQRLYMFDHE-SFTDATJTSA-N 1 3 388.600 3.660 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC001478772729 1078983333 /nfs/dbraw/zinc/98/33/33/1078983333.db2.gz YGHNZQRLYMFDHE-SFTDATJTSA-N 1 3 388.600 3.660 20 0 GHADHO CN(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001473182416 1073838282 /nfs/dbraw/zinc/83/82/82/1073838282.db2.gz CTLVVGFOHHRSAO-OAQYLSRUSA-N 1 3 395.547 3.868 20 0 GHADHO CN(CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001473182416 1073838294 /nfs/dbraw/zinc/83/82/94/1073838294.db2.gz CTLVVGFOHHRSAO-OAQYLSRUSA-N 1 3 395.547 3.868 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H](CC1CCC1)c1ccccc1)c1ccccc1 ZINC001473334831 1073924984 /nfs/dbraw/zinc/92/49/84/1073924984.db2.gz UDKCTLUNEZFKQI-XZOQPEGZSA-N 1 3 379.548 3.927 20 0 GHADHO CC[NH+]1CCC(CNCc2cc3c(C)nn(C(C)(C)C)c3nc2Cl)CC1 ZINC001473987685 1074227213 /nfs/dbraw/zinc/22/72/13/1074227213.db2.gz JELPMAUXRGUILU-UHFFFAOYSA-N 1 3 377.964 3.970 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001474067596 1074252516 /nfs/dbraw/zinc/25/25/16/1074252516.db2.gz AOKIKGMLUNKUTG-SJORKVTESA-N 1 3 376.850 3.826 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820649474 606211653 /nfs/dbraw/zinc/21/16/53/606211653.db2.gz MBKSJMLIZNCBPI-HOTGVXAUSA-N 1 3 396.564 3.696 20 0 GHADHO CC[N@H+](CCC1CC[NH+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419014 608212024 /nfs/dbraw/zinc/21/20/24/608212024.db2.gz DFUUOXDBXIVUQC-KRWDZBQOSA-N 1 3 382.556 3.762 20 0 GHADHO CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419014 608212026 /nfs/dbraw/zinc/21/20/26/608212026.db2.gz DFUUOXDBXIVUQC-KRWDZBQOSA-N 1 3 382.556 3.762 20 0 GHADHO CC[N@H+](CCC1CC[NH+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419014 608212028 /nfs/dbraw/zinc/21/20/28/608212028.db2.gz DFUUOXDBXIVUQC-KRWDZBQOSA-N 1 3 382.556 3.762 20 0 GHADHO CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419014 608212029 /nfs/dbraw/zinc/21/20/29/608212029.db2.gz DFUUOXDBXIVUQC-KRWDZBQOSA-N 1 3 382.556 3.762 20 0 GHADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1 ZINC001164725727 720471391 /nfs/dbraw/zinc/47/13/91/720471391.db2.gz JXNVAOXEQFIIKF-ZLNRFVROSA-N 1 3 391.563 3.877 20 0 GHADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1 ZINC001164725727 720471399 /nfs/dbraw/zinc/47/13/99/720471399.db2.gz JXNVAOXEQFIIKF-ZLNRFVROSA-N 1 3 391.563 3.877 20 0 GHADHO COc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079451 837403661 /nfs/dbraw/zinc/40/36/61/837403661.db2.gz CFQORBBIPQEWRK-RXVVDRJESA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079451 837403663 /nfs/dbraw/zinc/40/36/63/837403663.db2.gz CFQORBBIPQEWRK-RXVVDRJESA-N 1 3 395.547 3.552 20 0 GHADHO [NH3+][C@H](CCC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 ZINC000237948080 837502333 /nfs/dbraw/zinc/50/23/33/837502333.db2.gz PAWNWOKTUXRMMF-OAQYLSRUSA-N 1 3 383.561 3.697 20 0 GHADHO C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)CCN1Cc1ccccc1 ZINC000089595060 834595031 /nfs/dbraw/zinc/59/50/31/834595031.db2.gz OMCIHZJMYCXVCC-JTHBVZDNSA-N 1 3 385.596 3.664 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000139366354 834736451 /nfs/dbraw/zinc/73/64/51/834736451.db2.gz CJTRURJMSCNQJH-XXBNENTESA-N 1 3 377.532 3.848 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000536098136 834848311 /nfs/dbraw/zinc/84/83/11/834848311.db2.gz JAPBZZUTULKMCJ-XZOQPEGZSA-N 1 3 394.563 3.773 20 0 GHADHO COc1ccccc1O[C@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000685446538 835019256 /nfs/dbraw/zinc/01/92/56/835019256.db2.gz VNFZXKSMJJYFNX-NRFANRHFSA-N 1 3 384.520 3.679 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665248 835286231 /nfs/dbraw/zinc/28/62/31/835286231.db2.gz YXFAIMWZGUHPDB-CTNGQTDRSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665248 835286234 /nfs/dbraw/zinc/28/62/34/835286234.db2.gz YXFAIMWZGUHPDB-CTNGQTDRSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665248 835286241 /nfs/dbraw/zinc/28/62/41/835286241.db2.gz YXFAIMWZGUHPDB-CTNGQTDRSA-N 1 3 390.535 3.615 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274793096 835309387 /nfs/dbraw/zinc/30/93/87/835309387.db2.gz MUZKWNIQXYNLCU-XMSQKQJNSA-N 1 3 377.532 3.596 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cc2ccncc2s1 ZINC000658035121 835387364 /nfs/dbraw/zinc/38/73/64/835387364.db2.gz MXLDTIPJPBOTMI-KRWDZBQOSA-N 1 3 381.545 3.974 20 0 GHADHO C[C@@H](NCc1ccccc1CN1CCCC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000151403045 835420296 /nfs/dbraw/zinc/42/02/96/835420296.db2.gz IDSTYIAYPGRFLM-LJQANCHMSA-N 1 3 395.547 3.600 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135365 835444464 /nfs/dbraw/zinc/44/44/64/835444464.db2.gz DHRPLABBJQDPNL-TZIWHRDSSA-N 1 3 386.923 3.910 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135365 835444474 /nfs/dbraw/zinc/44/44/74/835444474.db2.gz DHRPLABBJQDPNL-TZIWHRDSSA-N 1 3 386.923 3.910 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000154287353 835517505 /nfs/dbraw/zinc/51/75/05/835517505.db2.gz NCUNTVSKJDSRHW-GOSISDBHSA-N 1 3 386.609 3.721 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4cn(C(C)C)nc4c3)CC2)CC1 ZINC000655391703 835711882 /nfs/dbraw/zinc/71/18/82/835711882.db2.gz KPYVDGHKSVYFDS-UHFFFAOYSA-N 1 3 397.567 3.752 20 0 GHADHO C[C@@H](c1cccc(F)c1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000471224960 836007185 /nfs/dbraw/zinc/00/71/85/836007185.db2.gz XRAOVSDOBSKMAO-IBGZPJMESA-N 1 3 397.538 3.847 20 0 GHADHO COc1ccc([C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)N2CCCC2)cc1 ZINC000431654711 836174153 /nfs/dbraw/zinc/17/41/53/836174153.db2.gz SEHXFIPUHDUSKY-GOTSBHOMSA-N 1 3 395.547 3.641 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000892585241 836794235 /nfs/dbraw/zinc/79/42/35/836794235.db2.gz RYLRCEFWAYOMSJ-INIZCTEOSA-N 1 3 377.533 3.568 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000892585241 836794241 /nfs/dbraw/zinc/79/42/41/836794241.db2.gz RYLRCEFWAYOMSJ-INIZCTEOSA-N 1 3 377.533 3.568 20 0 GHADHO C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1OC(F)F ZINC000414309006 837028113 /nfs/dbraw/zinc/02/81/13/837028113.db2.gz RGFRKIRNRAFAQT-QGZVFWFLSA-N 1 3 390.474 3.966 20 0 GHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1OC(F)F ZINC000414309006 837028120 /nfs/dbraw/zinc/02/81/20/837028120.db2.gz RGFRKIRNRAFAQT-QGZVFWFLSA-N 1 3 390.474 3.966 20 0 GHADHO OC1(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CCN(Cc2ccccc2)CC1 ZINC000414314475 837057088 /nfs/dbraw/zinc/05/70/88/837057088.db2.gz ZVTWMPGTHIABJM-OAQYLSRUSA-N 1 3 384.495 3.656 20 0 GHADHO OC1(CN[C@@H]2CCCOc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414314475 837057101 /nfs/dbraw/zinc/05/71/01/837057101.db2.gz ZVTWMPGTHIABJM-OAQYLSRUSA-N 1 3 384.495 3.656 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1 ZINC000659032826 837318269 /nfs/dbraw/zinc/31/82/69/837318269.db2.gz HNQKXZWGBMIDJU-DYESRHJHSA-N 1 3 396.535 3.598 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000659269996 838042661 /nfs/dbraw/zinc/04/26/61/838042661.db2.gz SAHWITJNEVIPCS-AAIMPIBUSA-N 1 3 377.532 3.733 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000659269996 838042674 /nfs/dbraw/zinc/04/26/74/838042674.db2.gz SAHWITJNEVIPCS-AAIMPIBUSA-N 1 3 377.532 3.733 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312589854 838274053 /nfs/dbraw/zinc/27/40/53/838274053.db2.gz DMDJEWPEIDHFSD-AZUAARDMSA-N 1 3 386.561 3.653 20 0 GHADHO CN(CCCN(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)Cc1ccco1 ZINC000415965897 838327084 /nfs/dbraw/zinc/32/70/84/838327084.db2.gz FLQDMPLLKLXRSI-UHFFFAOYSA-N 1 3 398.429 3.743 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccsc1 ZINC000659433335 838384963 /nfs/dbraw/zinc/38/49/63/838384963.db2.gz AHBUXNLAXIQYGR-AZUAARDMSA-N 1 3 392.613 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)N2CCCC2)cc1 ZINC000659444685 838396338 /nfs/dbraw/zinc/39/63/38/838396338.db2.gz GVDDYXDAFMCJDF-GOTSBHOMSA-N 1 3 398.595 3.553 20 0 GHADHO CCCC[C@@H](C)N(CCCC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000458126029 844348788 /nfs/dbraw/zinc/34/87/88/844348788.db2.gz LOCSHGYAIJNPID-LJQANCHMSA-N 1 3 380.621 3.935 20 0 GHADHO Cn1c2ccc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)CC[C@@H]4C3)cc2sc1=O ZINC000584561732 838632925 /nfs/dbraw/zinc/63/29/25/838632925.db2.gz WWLMULLZPRYZGL-WOJBJXKFSA-N 1 3 393.556 3.554 20 0 GHADHO Cn1c2ccc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)CC[C@@H]4C3)cc2sc1=O ZINC000584561732 838632933 /nfs/dbraw/zinc/63/29/33/838632933.db2.gz WWLMULLZPRYZGL-WOJBJXKFSA-N 1 3 393.556 3.554 20 0 GHADHO COc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OCCC(C)C ZINC000415119432 839231817 /nfs/dbraw/zinc/23/18/17/839231817.db2.gz FIVYOZHHTIGBGE-RBBKRZOGSA-N 1 3 390.568 3.838 20 0 GHADHO COc1cccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1OC(C)C ZINC000415125476 839247084 /nfs/dbraw/zinc/24/70/84/839247084.db2.gz FDDDJXDCMDGLGL-UHFFFAOYSA-N 1 3 397.563 3.566 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)CC1 ZINC000363863322 839320438 /nfs/dbraw/zinc/32/04/38/839320438.db2.gz BBXKXKILTHHPFC-UHFFFAOYSA-N 1 3 378.564 3.598 20 0 GHADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000312929672 839905175 /nfs/dbraw/zinc/90/51/75/839905175.db2.gz DUVWKIKXSUTHTQ-MISYRCLQSA-N 1 3 381.486 3.513 20 0 GHADHO C[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000759859380 840229988 /nfs/dbraw/zinc/22/99/88/840229988.db2.gz ROEXTKJCKTUJHU-LAUBAEHRSA-N 1 3 376.903 3.966 20 0 GHADHO C[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000759859380 840229998 /nfs/dbraw/zinc/22/99/98/840229998.db2.gz ROEXTKJCKTUJHU-LAUBAEHRSA-N 1 3 376.903 3.966 20 0 GHADHO CC(C)(CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417084498 840442584 /nfs/dbraw/zinc/44/25/84/840442584.db2.gz ANWCEYJTOOGUHV-QFIPXVFZSA-N 1 3 394.563 3.603 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CCSc3cccc(Cl)c3)CC2)CC1 ZINC000660278344 841182773 /nfs/dbraw/zinc/18/27/73/841182773.db2.gz YLWYLTFWNNNVSY-UHFFFAOYSA-N 1 3 382.017 3.782 20 0 GHADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000430584539 841253340 /nfs/dbraw/zinc/25/33/40/841253340.db2.gz ZNZJKDZEHKXAAH-GOSISDBHSA-N 1 3 397.563 3.517 20 0 GHADHO CCCN(Cc1ccc(C)cc1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000581734335 842115454 /nfs/dbraw/zinc/11/54/54/842115454.db2.gz HUVKJLDFZUMDEJ-UHFFFAOYSA-N 1 3 385.596 3.930 20 0 GHADHO CCN(CC)[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccsc1 ZINC000236874392 842230541 /nfs/dbraw/zinc/23/05/41/842230541.db2.gz NVUXYJDCYJOEFE-HXUWFJFHSA-N 1 3 385.577 3.569 20 0 GHADHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1OC(F)F ZINC000178035436 861297652 /nfs/dbraw/zinc/29/76/52/861297652.db2.gz YSAWHNRFPOARNW-XHSDSOJGSA-N 1 3 386.483 3.837 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887540 842464106 /nfs/dbraw/zinc/46/41/06/842464106.db2.gz UUKBJDANKZWMRZ-ICSRJNTNSA-N 1 3 376.541 3.553 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887540 842464110 /nfs/dbraw/zinc/46/41/10/842464110.db2.gz UUKBJDANKZWMRZ-ICSRJNTNSA-N 1 3 376.541 3.553 20 0 GHADHO COc1cc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1OC(C)C ZINC000512181829 842801457 /nfs/dbraw/zinc/80/14/57/842801457.db2.gz QLIIFHIWPFMRRW-RTBURBONSA-N 1 3 390.568 3.804 20 0 GHADHO COc1cccc(C(=O)N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)c1 ZINC001167859665 842845766 /nfs/dbraw/zinc/84/57/66/842845766.db2.gz CQQWCKWPUWNRPL-UHFFFAOYSA-N 1 3 399.579 3.687 20 0 GHADHO c1c(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)onc1-c1ccccc1 ZINC000662327695 843155588 /nfs/dbraw/zinc/15/55/88/843155588.db2.gz TZWAWTFFAQLWJD-UHFFFAOYSA-N 1 3 391.519 3.911 20 0 GHADHO c1c(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)onc1-c1ccccc1 ZINC000662327695 843155597 /nfs/dbraw/zinc/15/55/97/843155597.db2.gz TZWAWTFFAQLWJD-UHFFFAOYSA-N 1 3 391.519 3.911 20 0 GHADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000662448514 843263181 /nfs/dbraw/zinc/26/31/81/843263181.db2.gz CEYVINUUJXPYOJ-QFIPXVFZSA-N 1 3 397.950 3.903 20 0 GHADHO C[C@@H]([NH2+]C1(CNC(=O)c2cc3c(s2)CCNC3)CCCC1)c1ccccc1 ZINC000662452514 843268480 /nfs/dbraw/zinc/26/84/80/843268480.db2.gz VKVIQPFACYDGTI-MRXNPFEDSA-N 1 3 383.561 3.787 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCCF)cc1 ZINC000510733018 843373053 /nfs/dbraw/zinc/37/30/53/843373053.db2.gz JOPCRWAIUNGWNU-TZIWHRDSSA-N 1 3 375.532 3.520 20 0 GHADHO O[C@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)COc1ccccc1 ZINC000576150282 843912889 /nfs/dbraw/zinc/91/28/89/843912889.db2.gz LUBGRTWJZKLQCM-HXUWFJFHSA-N 1 3 388.939 3.582 20 0 GHADHO COc1cc(CN(C)C[C@H]2CCCCO2)cc(C[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000432937425 844679063 /nfs/dbraw/zinc/67/90/63/844679063.db2.gz KMRLLWWZFQUCMZ-FGZHOGPDSA-N 1 3 390.568 3.697 20 0 GHADHO COc1cc(CN(C)C[C@H]2CCCCO2)cc(C[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000432937425 844679071 /nfs/dbraw/zinc/67/90/71/844679071.db2.gz KMRLLWWZFQUCMZ-FGZHOGPDSA-N 1 3 390.568 3.697 20 0 GHADHO CCCCC[C@@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000663877499 844728280 /nfs/dbraw/zinc/72/82/80/844728280.db2.gz XMADSWKFAKVOKQ-OAQYLSRUSA-N 1 3 378.605 3.689 20 0 GHADHO COc1ccccc1[C@H](O)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248390633 845293826 /nfs/dbraw/zinc/29/38/26/845293826.db2.gz BLOHSYNRYSZXLC-MLDBQTBOSA-N 1 3 380.532 3.619 20 0 GHADHO COc1ccccc1[C@H](O)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248390633 845293835 /nfs/dbraw/zinc/29/38/35/845293835.db2.gz BLOHSYNRYSZXLC-MLDBQTBOSA-N 1 3 380.532 3.619 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000513390358 845341414 /nfs/dbraw/zinc/34/14/14/845341414.db2.gz OPSIDCJNRXFRES-QIJUGHKUSA-N 1 3 388.600 3.612 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000513390358 845341427 /nfs/dbraw/zinc/34/14/27/845341427.db2.gz OPSIDCJNRXFRES-QIJUGHKUSA-N 1 3 388.600 3.612 20 0 GHADHO Cc1c([C@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)nnn1-c1ccc(F)cc1 ZINC000179469280 861593319 /nfs/dbraw/zinc/59/33/19/861593319.db2.gz QZQHIGCBFAMWOH-INIZCTEOSA-N 1 3 394.498 3.677 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472144164 846159921 /nfs/dbraw/zinc/15/99/21/846159921.db2.gz MZYFVNIMDVWDOM-RBUKOAKNSA-N 1 3 385.552 3.551 20 0 GHADHO OC1(C[NH2+]Cc2ccc(C(F)(F)F)s2)CCN(Cc2ccccc2)CC1 ZINC000414525323 846313759 /nfs/dbraw/zinc/31/37/59/846313759.db2.gz MEVKUYKGDIITLL-UHFFFAOYSA-N 1 3 384.467 3.884 20 0 GHADHO Cc1cccc(-c2n[nH]cc2C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000414533339 846362361 /nfs/dbraw/zinc/36/23/61/846362361.db2.gz BHMGQDOWOVCGPW-UHFFFAOYSA-N 1 3 390.531 3.502 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4ccc(C)nc43)CC2)CC1 ZINC000582130936 846443079 /nfs/dbraw/zinc/44/30/79/846443079.db2.gz RRPUYIVWTHCFMV-UHFFFAOYSA-N 1 3 380.536 3.678 20 0 GHADHO c1ccc(CCN2CC[C@H](C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)C2)cc1 ZINC000657354140 846473121 /nfs/dbraw/zinc/47/31/21/846473121.db2.gz QSOZGJPCCATUKL-ISKFKSNPSA-N 1 3 380.532 3.509 20 0 GHADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000500987828 846523469 /nfs/dbraw/zinc/52/34/69/846523469.db2.gz GTBYFSYDFWREGN-UHFFFAOYSA-N 1 3 396.417 3.776 20 0 GHADHO Cc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1Cl ZINC000414551287 846565734 /nfs/dbraw/zinc/56/57/34/846565734.db2.gz FEZXSIYLTBBSHY-UHFFFAOYSA-N 1 3 385.939 3.636 20 0 GHADHO COC1([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000421857700 846624884 /nfs/dbraw/zinc/62/48/84/846624884.db2.gz POHCSIGKXMOFQM-RBBKRZOGSA-N 1 3 386.580 3.853 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501857141 847282202 /nfs/dbraw/zinc/28/22/02/847282202.db2.gz UHPPLEOLJRFRRP-UXHICEINSA-N 1 3 378.605 3.547 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857141 847282207 /nfs/dbraw/zinc/28/22/07/847282207.db2.gz UHPPLEOLJRFRRP-UXHICEINSA-N 1 3 378.605 3.547 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422734769 847789470 /nfs/dbraw/zinc/78/94/70/847789470.db2.gz TZGTWMZCCSKKFY-HNAYVOBHSA-N 1 3 392.469 3.793 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N)N1CCCCC1 ZINC000422719514 847795147 /nfs/dbraw/zinc/79/51/47/847795147.db2.gz YJIIQJHXIQCMIO-OIBXWCBGSA-N 1 3 381.564 3.770 20 0 GHADHO COc1ccccc1[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCCCC1 ZINC000422719514 847795155 /nfs/dbraw/zinc/79/51/55/847795155.db2.gz YJIIQJHXIQCMIO-OIBXWCBGSA-N 1 3 381.564 3.770 20 0 GHADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422818324 847852234 /nfs/dbraw/zinc/85/22/34/847852234.db2.gz GDEJEECUKXKNNM-KBAYOESNSA-N 1 3 393.959 3.886 20 0 GHADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422878369 847865978 /nfs/dbraw/zinc/86/59/78/847865978.db2.gz JAKLLNONWZBABT-SIKLNZKXSA-N 1 3 381.520 3.701 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000611672173 847882701 /nfs/dbraw/zinc/88/27/01/847882701.db2.gz PUAWSPFFTNMRRM-LJQANCHMSA-N 1 3 390.597 3.545 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000422949399 847911528 /nfs/dbraw/zinc/91/15/28/847911528.db2.gz UAYQERFDMKFINQ-AWEZNQCLSA-N 1 3 381.549 3.778 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1CN(C)Cc1ccco1 ZINC000423009263 847935969 /nfs/dbraw/zinc/93/59/69/847935969.db2.gz VJWWRCFRCDTSHW-CYFREDJKSA-N 1 3 377.532 3.960 20 0 GHADHO CCOC(=O)C1([C@@H](C)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423022975 847942803 /nfs/dbraw/zinc/94/28/03/847942803.db2.gz IWEFVPHYCPWYAV-CZUORRHYSA-N 1 3 390.421 3.730 20 0 GHADHO COc1cc(Br)ccc1CCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423038281 847950515 /nfs/dbraw/zinc/95/05/15/847950515.db2.gz YEONQSHFDTYVQS-ZDUSSCGKSA-N 1 3 392.341 3.903 20 0 GHADHO CN(C)[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000133469069 848082129 /nfs/dbraw/zinc/08/21/29/848082129.db2.gz IPEAFNNAIWCZDL-QHCPKHFHSA-N 1 3 387.518 3.864 20 0 GHADHO CCO[C@H](CN1CCCC2(CCC[N@H+](C[C@@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434259 861875667 /nfs/dbraw/zinc/87/56/67/861875667.db2.gz LGAIBVDFPMFQQG-WELAQSEPSA-N 1 3 378.601 3.795 20 0 GHADHO CCO[C@H](CN1CCCC2(CCC[N@@H+](C[C@@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434259 861875674 /nfs/dbraw/zinc/87/56/74/861875674.db2.gz LGAIBVDFPMFQQG-WELAQSEPSA-N 1 3 378.601 3.795 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1C(F)(F)F ZINC000657594423 848283430 /nfs/dbraw/zinc/28/34/30/848283430.db2.gz AEYGLPBLERPFML-LJQANCHMSA-N 1 3 378.438 3.870 20 0 GHADHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1C(F)(F)F ZINC000657594423 848283441 /nfs/dbraw/zinc/28/34/41/848283441.db2.gz AEYGLPBLERPFML-LJQANCHMSA-N 1 3 378.438 3.870 20 0 GHADHO c1nc(-c2ccccn2)sc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613476 848326605 /nfs/dbraw/zinc/32/66/05/848326605.db2.gz KYJQOCRPZJATSL-UHFFFAOYSA-N 1 3 379.533 3.602 20 0 GHADHO Cn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(-c2ccc(F)cc2)n1 ZINC000657612962 848329124 /nfs/dbraw/zinc/32/91/24/848329124.db2.gz GZJKYTGXXRFQCZ-UHFFFAOYSA-N 1 3 393.510 3.623 20 0 GHADHO C[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000604178801 861935915 /nfs/dbraw/zinc/93/59/15/861935915.db2.gz FQVAEQORZWUVTH-IFMALSPDSA-N 1 3 386.584 3.635 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000180086857 861944353 /nfs/dbraw/zinc/94/43/53/861944353.db2.gz KNXXCCMPZRNHJE-OAQYLSRUSA-N 1 3 385.939 3.872 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000535940285 849163831 /nfs/dbraw/zinc/16/38/31/849163831.db2.gz CSNXJWJHIAPZOK-AZUAARDMSA-N 1 3 392.613 3.504 20 0 GHADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604206438 861990493 /nfs/dbraw/zinc/99/04/93/861990493.db2.gz QDQLEPLGTSSMDN-OAQYLSRUSA-N 1 3 386.584 3.729 20 0 GHADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604206438 861990503 /nfs/dbraw/zinc/99/05/03/861990503.db2.gz QDQLEPLGTSSMDN-OAQYLSRUSA-N 1 3 386.584 3.729 20 0 GHADHO Cc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1I ZINC000423096689 849741948 /nfs/dbraw/zinc/74/19/48/849741948.db2.gz IBVXVKOTAANNIQ-LBPRGKRZSA-N 1 3 395.288 3.613 20 0 GHADHO Brc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCC2)s1 ZINC000423100765 849743866 /nfs/dbraw/zinc/74/38/66/849743866.db2.gz HKBKANPDYFCJOQ-RBSFLKMASA-N 1 3 399.398 3.679 20 0 GHADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423192832 849798756 /nfs/dbraw/zinc/79/87/56/849798756.db2.gz UZVJXUIDFPWQTF-APWZRJJASA-N 1 3 380.374 3.521 20 0 GHADHO C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000434894187 849863970 /nfs/dbraw/zinc/86/39/70/849863970.db2.gz FTEDDIQGTXWXNP-YKSBVNFPSA-N 1 3 391.559 3.777 20 0 GHADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000414742904 849915537 /nfs/dbraw/zinc/91/55/37/849915537.db2.gz MRCLGXMSMQWKDQ-HRAATJIYSA-N 1 3 377.960 3.700 20 0 GHADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000414742904 849915544 /nfs/dbraw/zinc/91/55/44/849915544.db2.gz MRCLGXMSMQWKDQ-HRAATJIYSA-N 1 3 377.960 3.700 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000514817217 850343736 /nfs/dbraw/zinc/34/37/36/850343736.db2.gz AKNLONUXRLPXAX-ZCVJKFOLSA-N 1 3 380.532 3.618 20 0 GHADHO CCC(CC)(NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000439911139 850559987 /nfs/dbraw/zinc/55/99/87/850559987.db2.gz IPPRHQPCKXSXGD-UHFFFAOYSA-N 1 3 377.960 3.688 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000440198662 850892717 /nfs/dbraw/zinc/89/27/17/850892717.db2.gz AGWQFOMHVWXNHS-PMACEKPBSA-N 1 3 388.600 3.646 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)C[C@@H](C)O1 ZINC000425412777 850961355 /nfs/dbraw/zinc/96/13/55/850961355.db2.gz CCJCCVVHZOPCMG-WOJBJXKFSA-N 1 3 394.563 3.855 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000514011089 851117083 /nfs/dbraw/zinc/11/70/83/851117083.db2.gz JXWKWMZUMZKPFX-NFBKMPQASA-N 1 3 394.563 3.643 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000514011089 851117093 /nfs/dbraw/zinc/11/70/93/851117093.db2.gz JXWKWMZUMZKPFX-NFBKMPQASA-N 1 3 394.563 3.643 20 0 GHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000514161444 851316993 /nfs/dbraw/zinc/31/69/93/851316993.db2.gz AMWOUBQAXSHPOD-ZWKOTPCHSA-N 1 3 392.613 3.695 20 0 GHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000514161444 851317004 /nfs/dbraw/zinc/31/70/04/851317004.db2.gz AMWOUBQAXSHPOD-ZWKOTPCHSA-N 1 3 392.613 3.695 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccsc1 ZINC000514248123 851473756 /nfs/dbraw/zinc/47/37/56/851473756.db2.gz MJXSHISUXNCCBB-HKUYNNGSSA-N 1 3 380.602 3.551 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000515806534 851496066 /nfs/dbraw/zinc/49/60/66/851496066.db2.gz ZDNKOGSCADLVGA-LJQANCHMSA-N 1 3 392.613 3.647 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000515806534 851496072 /nfs/dbraw/zinc/49/60/72/851496072.db2.gz ZDNKOGSCADLVGA-LJQANCHMSA-N 1 3 392.613 3.647 20 0 GHADHO C[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000303460327 851626484 /nfs/dbraw/zinc/62/64/84/851626484.db2.gz HDGLYZOFIKUOMV-FQEVSTJZSA-N 1 3 393.575 3.708 20 0 GHADHO O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1)c1ccc(F)cc1 ZINC001167975531 851800582 /nfs/dbraw/zinc/80/05/82/851800582.db2.gz RDFVEXGWJCXXAV-CKSHBVQHSA-N 1 3 399.554 3.862 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(c3ccnc4ccccc43)CC2)CC1 ZINC000570461611 852349922 /nfs/dbraw/zinc/34/99/22/852349922.db2.gz RHGYCJDDHSJYIK-UHFFFAOYSA-N 1 3 380.580 3.830 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414954468 852873132 /nfs/dbraw/zinc/87/31/32/852873132.db2.gz SOEFNRGFMHMBJC-NQBHXWOUSA-N 1 3 377.838 3.806 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000507473617 852947265 /nfs/dbraw/zinc/94/72/65/852947265.db2.gz VQVKNFKGKUQFPF-XUZZJYLKSA-N 1 3 393.575 3.914 20 0 GHADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961968 852951572 /nfs/dbraw/zinc/95/15/72/852951572.db2.gz REUDLHQBGKHZSU-PANBIXPWSA-N 1 3 377.573 3.627 20 0 GHADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961968 852951574 /nfs/dbraw/zinc/95/15/74/852951574.db2.gz REUDLHQBGKHZSU-PANBIXPWSA-N 1 3 377.573 3.627 20 0 GHADHO c1coc([C@@H](CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)N2CCCC2)c1 ZINC000507513992 852992749 /nfs/dbraw/zinc/99/27/49/852992749.db2.gz SLAWANMELANLSU-CWBXHPNXSA-N 1 3 379.548 3.917 20 0 GHADHO c1coc([C@@H](CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)N2CCCC2)c1 ZINC000507513992 852992759 /nfs/dbraw/zinc/99/27/59/852992759.db2.gz SLAWANMELANLSU-CWBXHPNXSA-N 1 3 379.548 3.917 20 0 GHADHO Cn1c(CN2CCC(CCC[NH+]3CCOCC3)CC2)nc2ccc(Cl)cc21 ZINC000507720816 853204227 /nfs/dbraw/zinc/20/42/27/853204227.db2.gz PLCRXUJISBEAIH-UHFFFAOYSA-N 1 3 390.959 3.551 20 0 GHADHO C[C@H]1CN(CCCOc2ccc3ccccc3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491000904 853397165 /nfs/dbraw/zinc/39/71/65/853397165.db2.gz XWPWMHSPWUCZCG-RDPSFJRHSA-N 1 3 381.564 3.567 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000491002035 853398457 /nfs/dbraw/zinc/39/84/57/853398457.db2.gz AHOMWJVVAREHCL-DVECYGJZSA-N 1 3 399.554 3.787 20 0 GHADHO C[C@@H]1C[C@H](N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC[N@@H+]1C ZINC000426317664 853433274 /nfs/dbraw/zinc/43/32/74/853433274.db2.gz FRFJADRHQZURIL-LOODEUFTSA-N 1 3 384.495 3.649 20 0 GHADHO C[C@@H]1C[C@H](N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000426317664 853433283 /nfs/dbraw/zinc/43/32/83/853433283.db2.gz FRFJADRHQZURIL-LOODEUFTSA-N 1 3 384.495 3.649 20 0 GHADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506152224 853623300 /nfs/dbraw/zinc/62/33/00/853623300.db2.gz GDAHOUWMBXTEMG-HSZRJFAPSA-N 1 3 398.595 3.559 20 0 GHADHO CC(C)OC(=O)c1ccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000441148409 853960928 /nfs/dbraw/zinc/96/09/28/853960928.db2.gz TXABJVRHZWMHIP-OALUTQOASA-N 1 3 388.552 3.573 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)[NH+]2CCCC2)cc1 ZINC000520299784 854059874 /nfs/dbraw/zinc/05/98/74/854059874.db2.gz RPZDLHLDMFGVED-PKTZIBPZSA-N 1 3 394.563 3.734 20 0 GHADHO CN1CCN(CC[NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC1(C)C ZINC000441363474 854145472 /nfs/dbraw/zinc/14/54/72/854145472.db2.gz ZMNGRBROOGEEMO-UHFFFAOYSA-N 1 3 395.591 3.814 20 0 GHADHO Cc1cc(Cl)cc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000572182843 854434766 /nfs/dbraw/zinc/43/47/66/854434766.db2.gz RZUBUAOWDDYWEG-UHFFFAOYSA-N 1 3 385.939 3.764 20 0 GHADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000624010080 862581532 /nfs/dbraw/zinc/58/15/32/862581532.db2.gz HLKANWYSZIOYIO-GOSISDBHSA-N 1 3 382.552 3.629 20 0 GHADHO C[NH+](C)CCCOc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000107279690 855391894 /nfs/dbraw/zinc/39/18/94/855391894.db2.gz UTARZUFDMDPBMG-UHFFFAOYSA-N 1 3 381.520 3.865 20 0 GHADHO CC1(C)Cc2occc2[C@H](NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000180976647 862698681 /nfs/dbraw/zinc/69/86/81/862698681.db2.gz LGGPQLMTSZFKRY-OAQYLSRUSA-N 1 3 395.547 3.909 20 0 GHADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000573244339 856021826 /nfs/dbraw/zinc/02/18/26/856021826.db2.gz BLFRSBSOCJERGK-HLAWJBBLSA-N 1 3 395.513 3.903 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905121681 856168748 /nfs/dbraw/zinc/16/87/48/856168748.db2.gz FDIVFHLPCVBEES-XMSQKQJNSA-N 1 3 393.531 3.723 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168008837 856370928 /nfs/dbraw/zinc/37/09/28/856370928.db2.gz GBVUBSXICDGODD-RMFSNUHRSA-N 1 3 386.561 3.621 20 0 GHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000110437521 856548847 /nfs/dbraw/zinc/54/88/47/856548847.db2.gz VLUJRCKOFKVGJT-HZPDHXFCSA-N 1 3 386.458 3.906 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000110437521 856548866 /nfs/dbraw/zinc/54/88/66/856548866.db2.gz VLUJRCKOFKVGJT-HZPDHXFCSA-N 1 3 386.458 3.906 20 0 GHADHO O=C1Nc2ccccc2CC[C@H]1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485474832 856638549 /nfs/dbraw/zinc/63/85/49/856638549.db2.gz DLMAEIIFDVSADS-HSZRJFAPSA-N 1 3 389.543 3.928 20 0 GHADHO COc1cccc2cc([C@H](C)NCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)oc21 ZINC000658142452 856797058 /nfs/dbraw/zinc/79/70/58/856797058.db2.gz YKDCISOFYXIXCJ-JXFKEZNVSA-N 1 3 380.488 3.859 20 0 GHADHO COc1cccc2cc([C@H](C)NCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)oc21 ZINC000658142452 856797063 /nfs/dbraw/zinc/79/70/63/856797063.db2.gz YKDCISOFYXIXCJ-JXFKEZNVSA-N 1 3 380.488 3.859 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2OCCc3ccccc32)CC1 ZINC000674882377 856883098 /nfs/dbraw/zinc/88/30/98/856883098.db2.gz KDIUOCQLRCOFEZ-XMMPIXPASA-N 1 3 379.548 3.622 20 0 GHADHO COC(=O)c1cccc(-c2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592492220 856898865 /nfs/dbraw/zinc/89/88/65/856898865.db2.gz WWVLMBWTBVKBKA-OALUTQOASA-N 1 3 399.560 3.808 20 0 GHADHO Cc1nc(C(C)C)oc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000428198128 857196337 /nfs/dbraw/zinc/19/63/37/857196337.db2.gz BOQAJJHKXNHYTC-UHFFFAOYSA-N 1 3 376.589 3.735 20 0 GHADHO COc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000486363596 857677078 /nfs/dbraw/zinc/67/70/78/857677078.db2.gz ZVZUSZRSUXAQQF-YLJYHZDGSA-N 1 3 384.520 3.713 20 0 GHADHO CC(C)(C)C(=O)N1CCC(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000181681908 862971093 /nfs/dbraw/zinc/97/10/93/862971093.db2.gz SEVGSGHQITWSQJ-OAQYLSRUSA-N 1 3 377.617 3.859 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1(C)C ZINC000442873416 858190702 /nfs/dbraw/zinc/19/07/02/858190702.db2.gz OZZDAPWDTFFRLJ-SFHVURJKSA-N 1 3 384.593 3.803 20 0 GHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2cc(Br)ccc2o1 ZINC000442877663 858199423 /nfs/dbraw/zinc/19/94/23/858199423.db2.gz RMWFSLAQTAPWLH-CQSZACIVSA-N 1 3 394.357 3.872 20 0 GHADHO CN1CCN(CC[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1(C)C ZINC000442894446 858215383 /nfs/dbraw/zinc/21/53/83/858215383.db2.gz ZLOZSQLFDRTBBZ-NRFANRHFSA-N 1 3 386.971 3.634 20 0 GHADHO CC(C)CN(C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000522266445 858923559 /nfs/dbraw/zinc/92/35/59/858923559.db2.gz ZJKFNEYUYCHCEE-OAQYLSRUSA-N 1 3 399.623 3.908 20 0 GHADHO C[C@H]1CC(NCCNC(=O)Nc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168022398 858997347 /nfs/dbraw/zinc/99/73/47/858997347.db2.gz RWEAZIDCNUYVSA-OALUTQOASA-N 1 3 380.536 3.839 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000665363804 859135238 /nfs/dbraw/zinc/13/52/38/859135238.db2.gz CDPGGQACASAWPL-NRSPTQNISA-N 1 3 386.584 3.554 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000665363804 859135241 /nfs/dbraw/zinc/13/52/41/859135241.db2.gz CDPGGQACASAWPL-NRSPTQNISA-N 1 3 386.584 3.554 20 0 GHADHO CC1(C)CN(Cc2cnn3c2CCC3)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000668206090 859142982 /nfs/dbraw/zinc/14/29/82/859142982.db2.gz FHWBNNFHFSBVJP-QHCPKHFHSA-N 1 3 378.564 3.952 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000895479362 859565274 /nfs/dbraw/zinc/56/52/74/859565274.db2.gz PFXYLJWKYIIALB-FJIDUMEYSA-N 1 3 390.490 3.608 20 0 GHADHO CN(C)C[C@@H](NC(=O)Nc1ccccc1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000904623266 860523464 /nfs/dbraw/zinc/52/34/64/860523464.db2.gz BTQKFIHGFUNAOE-QGZVFWFLSA-N 1 3 380.414 3.589 20 0 GHADHO CC1CCN([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c2cccs2)CC1 ZINC000489798633 860756381 /nfs/dbraw/zinc/75/63/81/860756381.db2.gz RIVDLBRNLXYTGI-IPMKNSEASA-N 1 3 392.613 3.693 20 0 GHADHO c1nc2ccccc2n1-c1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603516836 860785627 /nfs/dbraw/zinc/78/56/27/860785627.db2.gz DOFREKCDPWIIDG-QFIPXVFZSA-N 1 3 390.531 3.759 20 0 GHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC000669687527 860793841 /nfs/dbraw/zinc/79/38/41/860793841.db2.gz CZTICQWGBJYDIT-UHFFFAOYSA-N 1 3 387.568 3.576 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC000669687527 860793847 /nfs/dbraw/zinc/79/38/47/860793847.db2.gz CZTICQWGBJYDIT-UHFFFAOYSA-N 1 3 387.568 3.576 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552290 863298182 /nfs/dbraw/zinc/29/81/82/863298182.db2.gz RRNMCZPKTFWTSY-HKUYNNGSSA-N 1 3 399.510 3.856 20 0 GHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C)[NH+](C)C ZINC000554219329 863919146 /nfs/dbraw/zinc/91/91/46/863919146.db2.gz VOBHURSWKWHIBO-BWAGFHJFSA-N 1 3 382.552 3.588 20 0 GHADHO Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)c2)cc1 ZINC000158708529 863923816 /nfs/dbraw/zinc/92/38/16/863923816.db2.gz WTTIHJHVHRSXBA-SFYKDHMMSA-N 1 3 379.548 3.743 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000734510740 864269679 /nfs/dbraw/zinc/26/96/79/864269679.db2.gz YWZGYJVALZTBEM-RDTXWAMCSA-N 1 3 390.597 3.843 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000734510740 864269689 /nfs/dbraw/zinc/26/96/89/864269689.db2.gz YWZGYJVALZTBEM-RDTXWAMCSA-N 1 3 390.597 3.843 20 0 GHADHO CCSc1ccc([C@@H](C)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000475134983 864271502 /nfs/dbraw/zinc/27/15/02/864271502.db2.gz DRRHJVUCYWWHHA-UTKZUKDTSA-N 1 3 385.577 3.868 20 0 GHADHO C[C@@H](c1ccccc1F)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159330966 864482362 /nfs/dbraw/zinc/48/23/62/864482362.db2.gz NOYBMSWUKRKWTA-SFHVURJKSA-N 1 3 375.532 3.591 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)CC1 ZINC000480462699 864698850 /nfs/dbraw/zinc/69/88/50/864698850.db2.gz CVNJJOQEDSUGAL-PXDATVDWSA-N 1 3 395.591 3.548 20 0 GHADHO Cc1ccc(OC[C@@H](O)CNC2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000554831580 864970287 /nfs/dbraw/zinc/97/02/87/864970287.db2.gz UYVHVVMOPJOUTL-QHCPKHFHSA-N 1 3 382.548 3.606 20 0 GHADHO C[C@@H]1CC(N2CCC(N3CCCCC3=O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064195 864975477 /nfs/dbraw/zinc/97/54/77/864975477.db2.gz OWJHWZWGXCMKRM-WOJBJXKFSA-N 1 3 383.580 3.905 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000480778771 865250861 /nfs/dbraw/zinc/25/08/61/865250861.db2.gz KZOQSJHATBZMMU-QGZVFWFLSA-N 1 3 389.565 3.749 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000480778771 865250875 /nfs/dbraw/zinc/25/08/75/865250875.db2.gz KZOQSJHATBZMMU-QGZVFWFLSA-N 1 3 389.565 3.749 20 0 GHADHO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000738312768 865528165 /nfs/dbraw/zinc/52/81/65/865528165.db2.gz CBAUIOUKPSIPCV-DENIHFKCSA-N 1 3 386.584 3.668 20 0 GHADHO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000738312768 865528173 /nfs/dbraw/zinc/52/81/73/865528173.db2.gz CBAUIOUKPSIPCV-DENIHFKCSA-N 1 3 386.584 3.668 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685439 865554554 /nfs/dbraw/zinc/55/45/54/865554554.db2.gz SCHLSDWQHPDJQY-IRLDBZIGSA-N 1 3 386.584 3.587 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685439 865554558 /nfs/dbraw/zinc/55/45/58/865554558.db2.gz SCHLSDWQHPDJQY-IRLDBZIGSA-N 1 3 386.584 3.587 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000899268483 865680861 /nfs/dbraw/zinc/68/08/61/865680861.db2.gz GKFCWIBOQADKNX-QHCPKHFHSA-N 1 3 385.596 3.566 20 0 GHADHO Cc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000508486120 866021317 /nfs/dbraw/zinc/02/13/17/866021317.db2.gz RYDHCVWNODFYON-NRFANRHFSA-N 1 3 386.584 3.728 20 0 GHADHO Cc1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000508486120 866021332 /nfs/dbraw/zinc/02/13/32/866021332.db2.gz RYDHCVWNODFYON-NRFANRHFSA-N 1 3 386.584 3.728 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000456326205 866445110 /nfs/dbraw/zinc/44/51/10/866445110.db2.gz GJRVSJXXEVXUBP-OAQYLSRUSA-N 1 3 391.559 3.877 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3cccc(F)c3)C3CC3)CC2)CC1 ZINC000552930684 866481275 /nfs/dbraw/zinc/48/12/75/866481275.db2.gz MCUFPTPHDRFSIP-UHFFFAOYSA-N 1 3 387.543 3.513 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000523150680 866771173 /nfs/dbraw/zinc/77/11/73/866771173.db2.gz VKPLMDOPJRKTRL-ZLNRFVROSA-N 1 3 398.595 3.699 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000523150680 866771193 /nfs/dbraw/zinc/77/11/93/866771193.db2.gz VKPLMDOPJRKTRL-ZLNRFVROSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H](Cc1ccc(Cl)cc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000153783810 867075840 /nfs/dbraw/zinc/07/58/40/867075840.db2.gz VYXLMFONHVNVMJ-GOSISDBHSA-N 1 3 391.987 3.585 20 0 GHADHO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000479064205 867082205 /nfs/dbraw/zinc/08/22/05/867082205.db2.gz PWPQYJXBXYHAAI-RDTXWAMCSA-N 1 3 381.358 3.509 20 0 GHADHO FC(F)(F)C[C@H]1CCN(CCOCC[N@@H+]2CC[C@H](CC(F)(F)F)C2)C1 ZINC000444699398 867083392 /nfs/dbraw/zinc/08/33/92/867083392.db2.gz UBXQTDKYDVVRQX-ZIAGYGMSSA-N 1 3 376.385 3.552 20 0 GHADHO FC(F)(F)C[C@H]1CCN(CCOCC[N@H+]2CC[C@H](CC(F)(F)F)C2)C1 ZINC000444699398 867083406 /nfs/dbraw/zinc/08/34/06/867083406.db2.gz UBXQTDKYDVVRQX-ZIAGYGMSSA-N 1 3 376.385 3.552 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001170429460 882070285 /nfs/dbraw/zinc/07/02/85/882070285.db2.gz UJVOMWYCVSPPMT-HXUWFJFHSA-N 1 3 396.531 3.781 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CC3CCC(C(C)(C)C)CC3)CC2)CC1 ZINC000157134068 868569611 /nfs/dbraw/zinc/56/96/11/868569611.db2.gz PPQUCMNGLFUAHS-UHFFFAOYSA-N 1 3 377.617 3.904 20 0 GHADHO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000920577517 882205111 /nfs/dbraw/zinc/20/51/11/882205111.db2.gz VWTCJUXFOJDWAX-HIFRSBDPSA-N 1 3 399.318 3.764 20 0 GHADHO C[N@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000920577517 882205121 /nfs/dbraw/zinc/20/51/21/882205121.db2.gz VWTCJUXFOJDWAX-HIFRSBDPSA-N 1 3 399.318 3.764 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000457891517 868913126 /nfs/dbraw/zinc/91/31/26/868913126.db2.gz AWNUEXMJAATNJV-IBGZPJMESA-N 1 3 392.613 3.573 20 0 GHADHO COCC[NH+]1CCC(Nc2c(C)c(C)nc3ccc(Br)cc32)CC1 ZINC000462368181 869299264 /nfs/dbraw/zinc/29/92/64/869299264.db2.gz FTQHCEQIEHUPBB-UHFFFAOYSA-N 1 3 392.341 3.559 20 0 GHADHO CC(C)(C)n1cc(CNCC2CC[NH+](Cc3ccccc3Cl)CC2)nn1 ZINC000190981908 882328985 /nfs/dbraw/zinc/32/89/85/882328985.db2.gz PCLOACDONICSPD-UHFFFAOYSA-N 1 3 375.948 3.688 20 0 GHADHO CC(C)(C)n1cc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)nn1 ZINC000190981908 882329001 /nfs/dbraw/zinc/32/90/01/882329001.db2.gz PCLOACDONICSPD-UHFFFAOYSA-N 1 3 375.948 3.688 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000525107179 869988296 /nfs/dbraw/zinc/98/82/96/869988296.db2.gz OUQHFKOCQPRHSO-JTAQYXEDSA-N 1 3 385.596 3.518 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000525107179 869988306 /nfs/dbraw/zinc/98/83/06/869988306.db2.gz OUQHFKOCQPRHSO-JTAQYXEDSA-N 1 3 385.596 3.518 20 0 GHADHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1)CC1CC1 ZINC000540046499 870252697 /nfs/dbraw/zinc/25/26/97/870252697.db2.gz FNLILRNVCDDCDK-SFHVURJKSA-N 1 3 389.559 3.664 20 0 GHADHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1)CC1CC1 ZINC000540046499 870252714 /nfs/dbraw/zinc/25/27/14/870252714.db2.gz FNLILRNVCDDCDK-SFHVURJKSA-N 1 3 389.559 3.664 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000540045005 870298211 /nfs/dbraw/zinc/29/82/11/870298211.db2.gz YNAVBONVZQIUKP-QHCPKHFHSA-N 1 3 392.547 3.816 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@H](C)O1 ZINC000538721565 870418650 /nfs/dbraw/zinc/41/86/50/870418650.db2.gz RKCHJHJDPVFGAO-BGYRXZFFSA-N 1 3 382.552 3.584 20 0 GHADHO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)o1 ZINC000538723920 870519851 /nfs/dbraw/zinc/51/98/51/870519851.db2.gz GWJJZERGUBFVDD-AVRDEDQJSA-N 1 3 385.527 3.852 20 0 GHADHO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)o1 ZINC000538723920 870519861 /nfs/dbraw/zinc/51/98/61/870519861.db2.gz GWJJZERGUBFVDD-AVRDEDQJSA-N 1 3 385.527 3.852 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000538752674 870570397 /nfs/dbraw/zinc/57/03/97/870570397.db2.gz DQCTVZFHFXGCEH-UHFFFAOYSA-N 1 3 384.568 3.751 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000538752674 870570407 /nfs/dbraw/zinc/57/04/07/870570407.db2.gz DQCTVZFHFXGCEH-UHFFFAOYSA-N 1 3 384.568 3.751 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000174126495 882428362 /nfs/dbraw/zinc/42/83/62/882428362.db2.gz IXCQAFRHUNLCGV-AUSIDOKSSA-N 1 3 379.548 3.873 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000174126495 882428364 /nfs/dbraw/zinc/42/83/64/882428364.db2.gz IXCQAFRHUNLCGV-AUSIDOKSSA-N 1 3 379.548 3.873 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000525448094 870704544 /nfs/dbraw/zinc/70/45/44/870704544.db2.gz MZQREAKMEYWEJB-OFNKIYASSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000525448094 870704548 /nfs/dbraw/zinc/70/45/48/870704548.db2.gz MZQREAKMEYWEJB-OFNKIYASSA-N 1 3 394.563 3.595 20 0 GHADHO O[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC[C@H](C(F)(F)F)C1 ZINC000249178330 870780812 /nfs/dbraw/zinc/78/08/12/870780812.db2.gz GMSYOALLPRZNEH-XDWAVFMPSA-N 1 3 396.497 3.970 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000463137394 870984633 /nfs/dbraw/zinc/98/46/33/870984633.db2.gz QPOLIDRTTWBIDG-PXDATVDWSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(CN3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137394 870984646 /nfs/dbraw/zinc/98/46/46/870984646.db2.gz QPOLIDRTTWBIDG-PXDATVDWSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(CN3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137394 870984663 /nfs/dbraw/zinc/98/46/63/870984663.db2.gz QPOLIDRTTWBIDG-PXDATVDWSA-N 1 3 393.575 3.662 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000447094882 871014511 /nfs/dbraw/zinc/01/45/11/871014511.db2.gz AUJQACQMOQHNFH-KUWBRRTOSA-N 1 3 398.522 3.899 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000447094882 871014531 /nfs/dbraw/zinc/01/45/31/871014531.db2.gz AUJQACQMOQHNFH-KUWBRRTOSA-N 1 3 398.522 3.899 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004726 871091488 /nfs/dbraw/zinc/09/14/88/871091488.db2.gz ONWCNYYWIOQJBG-CTNGQTDRSA-N 1 3 392.465 3.988 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004726 871091505 /nfs/dbraw/zinc/09/15/05/871091505.db2.gz ONWCNYYWIOQJBG-CTNGQTDRSA-N 1 3 392.465 3.988 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)c2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000539056378 871190830 /nfs/dbraw/zinc/19/08/30/871190830.db2.gz JGKZFRGZILMRFI-HBFSDRIKSA-N 1 3 386.540 3.567 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)c2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000539056378 871190838 /nfs/dbraw/zinc/19/08/38/871190838.db2.gz JGKZFRGZILMRFI-HBFSDRIKSA-N 1 3 386.540 3.567 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131436 871223896 /nfs/dbraw/zinc/22/38/96/871223896.db2.gz URGAEQLQMJMKRA-NHAYFPRASA-N 1 3 399.526 3.580 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131436 871223913 /nfs/dbraw/zinc/22/39/13/871223913.db2.gz URGAEQLQMJMKRA-NHAYFPRASA-N 1 3 399.526 3.580 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(CC(=O)OCc3ccccc3)cc1)C2 ZINC001169107851 871233048 /nfs/dbraw/zinc/23/30/48/871233048.db2.gz LJCGWLQWWBDRHA-NUNAXRQHSA-N 1 3 378.516 3.687 20 0 GHADHO COC(=O)CCCN1CCC(Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000463302628 871372540 /nfs/dbraw/zinc/37/25/40/871372540.db2.gz PHZOPYYJRKSNKW-LJQANCHMSA-N 1 3 387.568 3.891 20 0 GHADHO COC(=O)CCCN1CCC(Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000463302628 871372552 /nfs/dbraw/zinc/37/25/52/871372552.db2.gz PHZOPYYJRKSNKW-LJQANCHMSA-N 1 3 387.568 3.891 20 0 GHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000487529210 871463438 /nfs/dbraw/zinc/46/34/38/871463438.db2.gz NOWJVGWDBSDWGX-UHFFFAOYSA-N 1 3 379.548 3.795 20 0 GHADHO CC(=O)N1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001169589957 871650707 /nfs/dbraw/zinc/65/07/07/871650707.db2.gz WHCNBRWOVORNJD-GVAUOCQISA-N 1 3 391.559 3.645 20 0 GHADHO CC(=O)N1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001169589957 871650713 /nfs/dbraw/zinc/65/07/13/871650713.db2.gz WHCNBRWOVORNJD-GVAUOCQISA-N 1 3 391.559 3.645 20 0 GHADHO CC[C@@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000539296077 871659246 /nfs/dbraw/zinc/65/92/46/871659246.db2.gz XTKCPIUOVXPUKO-XQBPLPMBSA-N 1 3 384.568 3.670 20 0 GHADHO CC[C@@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000539296077 871659253 /nfs/dbraw/zinc/65/92/53/871659253.db2.gz XTKCPIUOVXPUKO-XQBPLPMBSA-N 1 3 384.568 3.670 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CC1 ZINC001169708173 871792817 /nfs/dbraw/zinc/79/28/17/871792817.db2.gz ZDKRUZOGNVZUFI-OAQYLSRUSA-N 1 3 385.552 3.595 20 0 GHADHO O=C1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1c1ccccc1 ZINC000447561242 871866302 /nfs/dbraw/zinc/86/63/02/871866302.db2.gz GZXUUHYJEZEJMO-YXPKMTABSA-N 1 3 375.516 3.577 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000552044047 871925364 /nfs/dbraw/zinc/92/53/64/871925364.db2.gz NHIKZQTWYCCHBN-SBFWRKJZSA-N 1 3 386.580 3.710 20 0 GHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC000540808360 872225594 /nfs/dbraw/zinc/22/55/94/872225594.db2.gz UZHHEMHUPXAQGH-UHFFFAOYSA-N 1 3 392.503 3.935 20 0 GHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC000540808360 872225613 /nfs/dbraw/zinc/22/56/13/872225613.db2.gz UZHHEMHUPXAQGH-UHFFFAOYSA-N 1 3 392.503 3.935 20 0 GHADHO CN(C)Cc1cccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182433813 872366403 /nfs/dbraw/zinc/36/64/03/872366403.db2.gz PIUOQDGZZCIXPH-UHFFFAOYSA-N 1 3 380.536 3.531 20 0 GHADHO COc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c(OC)c1OC ZINC000093769297 872398276 /nfs/dbraw/zinc/39/82/76/872398276.db2.gz KBIQARLWTXEEQO-UHFFFAOYSA-N 1 3 376.541 3.800 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000093844584 872450175 /nfs/dbraw/zinc/45/01/75/872450175.db2.gz ZUPASEATSVYEFW-LJQANCHMSA-N 1 3 381.568 3.959 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000093844584 872450190 /nfs/dbraw/zinc/45/01/90/872450190.db2.gz ZUPASEATSVYEFW-LJQANCHMSA-N 1 3 381.568 3.959 20 0 GHADHO N[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 ZINC000163860444 872613336 /nfs/dbraw/zinc/61/33/36/872613336.db2.gz QDLUMWZWLCWUMZ-LJQANCHMSA-N 1 3 392.330 3.774 20 0 GHADHO CC(C)NC(=O)[C@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001196499395 873173261 /nfs/dbraw/zinc/17/32/61/873173261.db2.gz YXBZYCSKKBCSEQ-QHCPKHFHSA-N 1 3 385.596 3.568 20 0 GHADHO CC(C)NC(=O)[C@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001196499395 873173268 /nfs/dbraw/zinc/17/32/68/873173268.db2.gz YXBZYCSKKBCSEQ-QHCPKHFHSA-N 1 3 385.596 3.568 20 0 GHADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@H]1c1ccccc1 ZINC000541239846 873203870 /nfs/dbraw/zinc/20/38/70/873203870.db2.gz PIGQEKXVCDDYBF-WUMKDDEVSA-N 1 3 391.559 3.794 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000448420845 873355052 /nfs/dbraw/zinc/35/50/52/873355052.db2.gz HTBLAPIOFOFQME-SFTDATJTSA-N 1 3 389.559 3.522 20 0 GHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000448420845 873355067 /nfs/dbraw/zinc/35/50/67/873355067.db2.gz HTBLAPIOFOFQME-SFTDATJTSA-N 1 3 389.559 3.522 20 0 GHADHO CC[C@@H](CN[C@H](C)CC(=O)Nc1ccc(Br)cc1)[NH+]1CCCC1 ZINC000237004075 882718525 /nfs/dbraw/zinc/71/85/25/882718525.db2.gz PMNYIAYHIXHSLF-PBHICJAKSA-N 1 3 382.346 3.630 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)N(C)C)cc1 ZINC000448468849 873426865 /nfs/dbraw/zinc/42/68/65/873426865.db2.gz WPEOXLUIMVXDRF-PUHATCMVSA-N 1 3 398.595 3.510 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)N(C)C)cc1 ZINC000448468849 873426878 /nfs/dbraw/zinc/42/68/78/873426878.db2.gz WPEOXLUIMVXDRF-PUHATCMVSA-N 1 3 398.595 3.510 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)N(C)C)cc1 ZINC000448468847 873427118 /nfs/dbraw/zinc/42/71/18/873427118.db2.gz WPEOXLUIMVXDRF-MZYLBHOOSA-N 1 3 398.595 3.510 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)N(C)C)cc1 ZINC000448468847 873427123 /nfs/dbraw/zinc/42/71/23/873427123.db2.gz WPEOXLUIMVXDRF-MZYLBHOOSA-N 1 3 398.595 3.510 20 0 GHADHO CC[NH+]1CCC(N[C@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000760161434 882752043 /nfs/dbraw/zinc/75/20/43/882752043.db2.gz VCLMVDJQLBRAIA-YLJYHZDGSA-N 1 3 375.557 3.585 20 0 GHADHO COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000527972938 873814542 /nfs/dbraw/zinc/81/45/42/873814542.db2.gz ZSBULAGXNZFLHE-AGILITTLSA-N 1 3 393.575 3.770 20 0 GHADHO CC[C@@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541768460 874261754 /nfs/dbraw/zinc/26/17/54/874261754.db2.gz PWHCVRVKZZMHJA-XQBPLPMBSA-N 1 3 384.568 3.670 20 0 GHADHO CC[C@@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541768460 874261763 /nfs/dbraw/zinc/26/17/63/874261763.db2.gz PWHCVRVKZZMHJA-XQBPLPMBSA-N 1 3 384.568 3.670 20 0 GHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449037727 874381024 /nfs/dbraw/zinc/38/10/24/874381024.db2.gz OLCZDAQRYLKERC-UHFFFAOYSA-N 1 3 376.541 3.561 20 0 GHADHO COc1ccccc1[C@@H](C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)N(C)C ZINC000449061524 874399196 /nfs/dbraw/zinc/39/91/96/874399196.db2.gz GMHYNSQCFZXVGP-HYBUGGRVSA-N 1 3 395.591 3.983 20 0 GHADHO CCC(CC)[C@H](CNC[C@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000449075399 874455666 /nfs/dbraw/zinc/45/56/66/874455666.db2.gz QULZNBNKUSWWSD-UWJYYQICSA-N 1 3 380.598 3.684 20 0 GHADHO COc1cccc(COCCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c1 ZINC000449208476 874587812 /nfs/dbraw/zinc/58/78/12/874587812.db2.gz PFVOHCNFTFMREY-HXUWFJFHSA-N 1 3 382.548 3.897 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2nc3c(cccc3F)n2C)CC1 ZINC000449219444 874607704 /nfs/dbraw/zinc/60/77/04/874607704.db2.gz AMTDFQCTLGNRLI-SFHVURJKSA-N 1 3 394.538 3.940 20 0 GHADHO Cc1c(F)cccc1NC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846927 874627245 /nfs/dbraw/zinc/62/72/45/874627245.db2.gz KLJRUJRMOGAUIB-FQEVSTJZSA-N 1 3 383.511 3.917 20 0 GHADHO Cc1c(F)cccc1NC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846927 874627252 /nfs/dbraw/zinc/62/72/52/874627252.db2.gz KLJRUJRMOGAUIB-FQEVSTJZSA-N 1 3 383.511 3.917 20 0 GHADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502768 874965083 /nfs/dbraw/zinc/96/50/83/874965083.db2.gz PAPNFJCLUQKXRD-JOCHJYFZSA-N 1 3 379.548 3.606 20 0 GHADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502768 874965092 /nfs/dbraw/zinc/96/50/92/874965092.db2.gz PAPNFJCLUQKXRD-JOCHJYFZSA-N 1 3 379.548 3.606 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5ccccn5)C4)[C@H]3C2)cc1 ZINC000449615298 875155813 /nfs/dbraw/zinc/15/58/13/875155813.db2.gz KVTGMCDZVFVWMV-HZQHDGKWSA-N 1 3 377.532 3.802 20 0 GHADHO C[C@@H]1COCC[C@@H]1[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000192470183 882926084 /nfs/dbraw/zinc/92/60/84/882926084.db2.gz SWVAXULMAAUWHJ-XLIONFOSSA-N 1 3 399.501 3.622 20 0 GHADHO Fc1cccc(Br)c1CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000192667358 882980952 /nfs/dbraw/zinc/98/09/52/882980952.db2.gz GYXHQKRTOKGCTN-UHFFFAOYSA-N 1 3 378.289 3.989 20 0 GHADHO Cc1cccc(CN(CCCN2CC[NH+](C(C)C)CC2)Cc2ccccn2)c1 ZINC000192770273 883012811 /nfs/dbraw/zinc/01/28/11/883012811.db2.gz PCLMBMGWHHEKAO-UHFFFAOYSA-N 1 3 380.580 3.808 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000192787331 883017652 /nfs/dbraw/zinc/01/76/52/883017652.db2.gz SAFAOXTVZXLDHI-KRWDZBQOSA-N 1 3 387.490 3.694 20 0 GHADHO COc1ccc(OC)c([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000180105293 883019622 /nfs/dbraw/zinc/01/96/22/883019622.db2.gz GFEJMHZZFPTXJY-CRHVVPOVSA-N 1 3 396.531 3.522 20 0 GHADHO C[C@@H](c1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450642306 876699110 /nfs/dbraw/zinc/69/91/10/876699110.db2.gz IMSACKVMKQXRSF-UWVAXJGDSA-N 1 3 383.502 3.810 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)ccc1OC ZINC000850502817 876976213 /nfs/dbraw/zinc/97/62/13/876976213.db2.gz RGURCKAAFLRCBQ-RCUCPDRNSA-N 1 3 380.598 3.877 20 0 GHADHO Cn1c2ccc(C[N@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)cc2sc1=O ZINC000195018021 883109601 /nfs/dbraw/zinc/10/96/01/883109601.db2.gz LUPASKWIVBIUGR-IBGZPJMESA-N 1 3 381.545 3.554 20 0 GHADHO Cn1c2ccc(C[N@@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)cc2sc1=O ZINC000195018021 883109605 /nfs/dbraw/zinc/10/96/05/883109605.db2.gz LUPASKWIVBIUGR-IBGZPJMESA-N 1 3 381.545 3.554 20 0 GHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000530340828 877578345 /nfs/dbraw/zinc/57/83/45/877578345.db2.gz CFEDQHHHMHAAEP-NRFANRHFSA-N 1 3 380.536 3.774 20 0 GHADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCN[C@H](c4ccccc4)C3)CC2)oc1C ZINC000667006646 877606962 /nfs/dbraw/zinc/60/69/62/877606962.db2.gz HLJQHJIVQYNAMJ-YADHBBJMSA-N 1 3 382.552 3.586 20 0 GHADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCN3CCc4ccccc4C3)ccc21 ZINC000455910801 878368238 /nfs/dbraw/zinc/36/82/38/878368238.db2.gz IQBGGVYAOKXOPP-HSZRJFAPSA-N 1 3 392.547 3.805 20 0 GHADHO C[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)[C@@H]1CCC[NH3+] ZINC000852759476 878582546 /nfs/dbraw/zinc/58/25/46/878582546.db2.gz PUDMOYLPNYOIGW-DENIHFKCSA-N 1 3 386.584 3.845 20 0 GHADHO C[NH+]1CCN(c2ccc(CN[C@H](c3ccccc3)c3ccc(F)cc3)cn2)CC1 ZINC000177204622 878598444 /nfs/dbraw/zinc/59/84/44/878598444.db2.gz MGAIXWUAYZKEDW-XMMPIXPASA-N 1 3 390.506 3.852 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(Cc3cc(F)ccc3F)CC2)CC1 ZINC000451971112 878791504 /nfs/dbraw/zinc/79/15/04/878791504.db2.gz ZGYQFXNPRIAGGF-UHFFFAOYSA-N 1 3 379.539 3.635 20 0 GHADHO O[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cc(F)ccc1F ZINC000853120234 878827059 /nfs/dbraw/zinc/82/70/59/878827059.db2.gz HYWHULMRCOQYNT-XMSQKQJNSA-N 1 3 386.486 3.890 20 0 GHADHO O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000853239937 878922495 /nfs/dbraw/zinc/92/24/95/878922495.db2.gz KLSZKHYQLDUQBY-NHCUHLMSSA-N 1 3 385.552 3.752 20 0 GHADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000285703407 912398530 /nfs/dbraw/zinc/39/85/30/912398530.db2.gz PFRJRZCNEZIGNA-GMKZXUHWSA-N 1 3 397.607 3.914 20 0 GHADHO O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000853239935 878922734 /nfs/dbraw/zinc/92/27/34/878922734.db2.gz KLSZKHYQLDUQBY-LEWJYISDSA-N 1 3 385.552 3.752 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000246097332 878971416 /nfs/dbraw/zinc/97/14/16/878971416.db2.gz XKCTXJKRUSZXBP-REWPJTCUSA-N 1 3 395.522 3.690 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000246097332 878971425 /nfs/dbraw/zinc/97/14/25/878971425.db2.gz XKCTXJKRUSZXBP-REWPJTCUSA-N 1 3 395.522 3.690 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000531207588 879327644 /nfs/dbraw/zinc/32/76/44/879327644.db2.gz WSRQIXBOTYHOQR-QFIPXVFZSA-N 1 3 392.547 3.560 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000246959642 879864114 /nfs/dbraw/zinc/86/41/14/879864114.db2.gz HTRLPGXLKLOEKW-XOKHGSTOSA-N 1 3 382.346 3.629 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246959642 879864124 /nfs/dbraw/zinc/86/41/24/879864124.db2.gz HTRLPGXLKLOEKW-XOKHGSTOSA-N 1 3 382.346 3.629 20 0 GHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182911169 880037575 /nfs/dbraw/zinc/03/75/75/880037575.db2.gz MMDSDPLKZBJRLW-UNMCSNQZSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182911169 880037585 /nfs/dbraw/zinc/03/75/85/880037585.db2.gz MMDSDPLKZBJRLW-UNMCSNQZSA-N 1 3 398.595 3.557 20 0 GHADHO CNC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453096973 880463146 /nfs/dbraw/zinc/46/31/46/880463146.db2.gz VYPXQUKAKQXCNY-DNVJHFABSA-N 1 3 377.532 3.579 20 0 GHADHO CCN1CCN(c2ccc(N[C@@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC000776807768 880507152 /nfs/dbraw/zinc/50/71/52/880507152.db2.gz YELASTSQYCJVIE-FQEVSTJZSA-N 1 3 396.579 3.942 20 0 GHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453348717 880820086 /nfs/dbraw/zinc/82/00/86/880820086.db2.gz LGDIMJPDLGCCRZ-UXDRXVOSSA-N 1 3 376.566 3.679 20 0 GHADHO O=C(c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1)N1CCCCC1 ZINC000134937389 883122280 /nfs/dbraw/zinc/12/22/80/883122280.db2.gz HAOALKICNODXCQ-FYYLOGMGSA-N 1 3 381.564 3.761 20 0 GHADHO O=C(c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1)N1CCCCC1 ZINC000134937389 883122290 /nfs/dbraw/zinc/12/22/90/883122290.db2.gz HAOALKICNODXCQ-FYYLOGMGSA-N 1 3 381.564 3.761 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)ccc1OC ZINC000182294321 883214817 /nfs/dbraw/zinc/21/48/17/883214817.db2.gz XZJASDYCNQBHMU-SFHVURJKSA-N 1 3 399.583 3.748 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310146 912684601 /nfs/dbraw/zinc/68/46/01/912684601.db2.gz XBWXEXAIILXFBQ-CVEARBPZSA-N 1 3 385.533 3.642 20 0 GHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310146 912684615 /nfs/dbraw/zinc/68/46/15/912684615.db2.gz XBWXEXAIILXFBQ-CVEARBPZSA-N 1 3 385.533 3.642 20 0 GHADHO Fc1ccc(Cl)cc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910433 883290428 /nfs/dbraw/zinc/29/04/28/883290428.db2.gz CUHACXTYEGBDNN-QGZVFWFLSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1ccc(Cl)cc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910433 883290441 /nfs/dbraw/zinc/29/04/41/883290441.db2.gz CUHACXTYEGBDNN-QGZVFWFLSA-N 1 3 398.869 3.718 20 0 GHADHO COc1ccccc1-c1ccc(CNCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000136214006 883741901 /nfs/dbraw/zinc/74/19/01/883741901.db2.gz DMNQJNHMPXGLTL-UHFFFAOYSA-N 1 3 391.515 3.987 20 0 GHADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2ncnn2-c2ccccc2)CC1 ZINC000556242376 884215924 /nfs/dbraw/zinc/21/59/24/884215924.db2.gz RYGGWHGPPLZKOQ-UHFFFAOYSA-N 1 3 375.520 3.800 20 0 GHADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2ncnn2-c2ccccc2)CC1 ZINC000556242376 884215943 /nfs/dbraw/zinc/21/59/43/884215943.db2.gz RYGGWHGPPLZKOQ-UHFFFAOYSA-N 1 3 375.520 3.800 20 0 GHADHO C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465459694 884235923 /nfs/dbraw/zinc/23/59/23/884235923.db2.gz PYURVKVZXZXRBJ-NZQKXSOJSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000465459694 884235940 /nfs/dbraw/zinc/23/59/40/884235940.db2.gz PYURVKVZXZXRBJ-NZQKXSOJSA-N 1 3 394.563 3.595 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000918753027 884285674 /nfs/dbraw/zinc/28/56/74/884285674.db2.gz MWRGSXANZXJUJE-UHFFFAOYSA-N 1 3 392.547 3.677 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000460347412 884927609 /nfs/dbraw/zinc/92/76/09/884927609.db2.gz CAPWVXZNZCLEDK-PMACEKPBSA-N 1 3 383.580 3.739 20 0 GHADHO OC1(CNCc2cc3cc(Cl)cnc3o2)CC[NH+](Cc2ccccc2)CC1 ZINC000666455737 885106728 /nfs/dbraw/zinc/10/67/28/885106728.db2.gz JAKVMCCSJVJWEO-UHFFFAOYSA-N 1 3 385.895 3.598 20 0 GHADHO OC1(C[NH2+]Cc2cc3cc(Cl)cnc3o2)CCN(Cc2ccccc2)CC1 ZINC000666455737 885106745 /nfs/dbraw/zinc/10/67/45/885106745.db2.gz JAKVMCCSJVJWEO-UHFFFAOYSA-N 1 3 385.895 3.598 20 0 GHADHO C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498721409 885482085 /nfs/dbraw/zinc/48/20/85/885482085.db2.gz LFJHWXFIJSTIED-IRLDBZIGSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498721409 885482087 /nfs/dbraw/zinc/48/20/87/885482087.db2.gz LFJHWXFIJSTIED-IRLDBZIGSA-N 1 3 398.595 3.557 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ncccc3-n3cccc3)c3ccccc23)CC1 ZINC001170525576 885503294 /nfs/dbraw/zinc/50/32/94/885503294.db2.gz UBYKJBSZPCUSMJ-UHFFFAOYSA-N 1 3 385.515 3.782 20 0 GHADHO CC(C)C[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000131157677 885601644 /nfs/dbraw/zinc/60/16/44/885601644.db2.gz APWFGFKRQWBHOT-HNNXBMFYSA-N 1 3 396.373 3.876 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C)c1OC ZINC000556891239 886517736 /nfs/dbraw/zinc/51/77/36/886517736.db2.gz ADFYHZLVWHIASL-NQIIRXRSSA-N 1 3 398.547 3.820 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1OC ZINC000556891239 886517747 /nfs/dbraw/zinc/51/77/47/886517747.db2.gz ADFYHZLVWHIASL-NQIIRXRSSA-N 1 3 398.547 3.820 20 0 GHADHO CCN1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000236836849 886889328 /nfs/dbraw/zinc/88/93/28/886889328.db2.gz MSZPZPSAVRQCJA-OAQYLSRUSA-N 1 3 389.547 3.815 20 0 GHADHO C[C@H](C(=O)NCCNC(c1ccccc1)c1ccccc1)[NH+]1CCCCCC1 ZINC001184436723 913200393 /nfs/dbraw/zinc/20/03/93/913200393.db2.gz OKRUOAGQSYTSPK-HXUWFJFHSA-N 1 3 379.548 3.746 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH+]2CCN(c3ccncc3)CC2)CC1 ZINC000809953861 888019332 /nfs/dbraw/zinc/01/93/32/888019332.db2.gz SGNDQWXALGZBLP-WGSAOQKQSA-N 1 3 388.556 3.535 20 0 GHADHO CSC1(CNCc2cnn(Cc3ccccc3)c2Cl)CC[NH+](C)CC1 ZINC000810170344 888231784 /nfs/dbraw/zinc/23/17/84/888231784.db2.gz KVOICOUGUPESEN-UHFFFAOYSA-N 1 3 378.973 3.502 20 0 GHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810460643 888509021 /nfs/dbraw/zinc/50/90/21/888509021.db2.gz WMEZOCWQLVAJBU-REWPJTCUSA-N 1 3 389.559 3.570 20 0 GHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810460643 888509032 /nfs/dbraw/zinc/50/90/32/888509032.db2.gz WMEZOCWQLVAJBU-REWPJTCUSA-N 1 3 389.559 3.570 20 0 GHADHO CSc1ccc(Cl)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195343752 888681598 /nfs/dbraw/zinc/68/15/98/888681598.db2.gz BJKBXNMMBBVUSA-UHFFFAOYSA-N 1 3 396.988 3.742 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717921 888793862 /nfs/dbraw/zinc/79/38/62/888793862.db2.gz GDKLKOLJPPAQSU-XXBNENTESA-N 1 3 389.559 3.616 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717921 888793866 /nfs/dbraw/zinc/79/38/66/888793866.db2.gz GDKLKOLJPPAQSU-XXBNENTESA-N 1 3 389.559 3.616 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccsc1 ZINC000061941491 888869890 /nfs/dbraw/zinc/86/98/90/888869890.db2.gz QUMXUXIUAQIJMH-FQEVSTJZSA-N 1 3 388.581 3.692 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245735061 889562448 /nfs/dbraw/zinc/56/24/48/889562448.db2.gz QSCYNZHRTUJXHF-XSDIEEQYSA-N 1 3 380.511 3.585 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245735061 889562454 /nfs/dbraw/zinc/56/24/54/889562454.db2.gz QSCYNZHRTUJXHF-XSDIEEQYSA-N 1 3 380.511 3.585 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126625216 890620840 /nfs/dbraw/zinc/62/08/40/890620840.db2.gz ZHWJHFTVVTXKGZ-TXTKFYIRSA-N 1 3 399.554 3.513 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126625216 890620847 /nfs/dbraw/zinc/62/08/47/890620847.db2.gz ZHWJHFTVVTXKGZ-TXTKFYIRSA-N 1 3 399.554 3.513 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCSC5)C4)[C@H]3C2)cc1 ZINC000248398721 891430517 /nfs/dbraw/zinc/43/05/17/891430517.db2.gz JGNFUCXMGFATOQ-SPHOGXRMSA-N 1 3 386.605 3.931 20 0 GHADHO N[C@H](CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)Cc1ccccc1 ZINC000873236082 891538173 /nfs/dbraw/zinc/53/81/73/891538173.db2.gz XATJCRTXYHYERX-RTWAWAEBSA-N 1 3 381.520 3.590 20 0 GHADHO C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508712611 892829618 /nfs/dbraw/zinc/82/96/18/892829618.db2.gz DEYJIBQJRHNVMG-YLJYHZDGSA-N 1 3 385.939 3.570 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645154449 913713571 /nfs/dbraw/zinc/71/35/71/913713571.db2.gz VWQKGWLHYJLVGX-KNQAVFIVSA-N 1 3 386.584 3.544 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645154449 913713586 /nfs/dbraw/zinc/71/35/86/913713586.db2.gz VWQKGWLHYJLVGX-KNQAVFIVSA-N 1 3 386.584 3.544 20 0 GHADHO COc1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc2c1OCO2 ZINC000536682944 893553173 /nfs/dbraw/zinc/55/31/73/893553173.db2.gz BWSDUGCUUPLMTH-UHFFFAOYSA-N 1 3 382.504 3.768 20 0 GHADHO COc1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc2c1OCO2 ZINC000536682944 893553184 /nfs/dbraw/zinc/55/31/84/893553184.db2.gz BWSDUGCUUPLMTH-UHFFFAOYSA-N 1 3 382.504 3.768 20 0 GHADHO CCOc1ccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000536708873 893615459 /nfs/dbraw/zinc/61/54/59/893615459.db2.gz ZHOHDNOILXELKT-OALUTQOASA-N 1 3 390.568 3.805 20 0 GHADHO CCOc1ccc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000536708873 893615465 /nfs/dbraw/zinc/61/54/65/893615465.db2.gz ZHOHDNOILXELKT-OALUTQOASA-N 1 3 390.568 3.805 20 0 GHADHO Fc1cc(Br)c(CNC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000459544646 893771334 /nfs/dbraw/zinc/77/13/34/893771334.db2.gz DXPFHWNUAZKDLB-UHFFFAOYSA-N 1 3 382.252 3.881 20 0 GHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000536829072 893861012 /nfs/dbraw/zinc/86/10/12/893861012.db2.gz VPZYWEWBUDDXJC-IFXJQAMLSA-N 1 3 377.326 3.911 20 0 GHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000536829072 893861028 /nfs/dbraw/zinc/86/10/28/893861028.db2.gz VPZYWEWBUDDXJC-IFXJQAMLSA-N 1 3 377.326 3.911 20 0 GHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000498291480 893934621 /nfs/dbraw/zinc/93/46/21/893934621.db2.gz HBCFWVYRSOGRPS-FCHUYYIVSA-N 1 3 386.584 3.544 20 0 GHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000498291480 893934634 /nfs/dbraw/zinc/93/46/34/893934634.db2.gz HBCFWVYRSOGRPS-FCHUYYIVSA-N 1 3 386.584 3.544 20 0 GHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000498291481 893935265 /nfs/dbraw/zinc/93/52/65/893935265.db2.gz HBCFWVYRSOGRPS-FGZHOGPDSA-N 1 3 386.584 3.544 20 0 GHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000498291481 893935274 /nfs/dbraw/zinc/93/52/74/893935274.db2.gz HBCFWVYRSOGRPS-FGZHOGPDSA-N 1 3 386.584 3.544 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3csc4ccccc34)CC2)CC1 ZINC000563637103 894000692 /nfs/dbraw/zinc/00/06/92/894000692.db2.gz OKUAXAWXCYBMQV-UHFFFAOYSA-N 1 3 399.604 3.756 20 0 GHADHO Cc1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc1Cl ZINC000878173941 894073857 /nfs/dbraw/zinc/07/38/57/894073857.db2.gz FMPAFTYCKGVKHO-UHFFFAOYSA-N 1 3 378.992 3.672 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000563693181 894080447 /nfs/dbraw/zinc/08/04/47/894080447.db2.gz UYWSBJZOZIVCDZ-RTWAWAEBSA-N 1 3 388.943 3.552 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573563 894397607 /nfs/dbraw/zinc/39/76/07/894397607.db2.gz LIZBFRYGWGBUDR-RBUKOAKNSA-N 1 3 378.582 3.538 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573563 894397618 /nfs/dbraw/zinc/39/76/18/894397618.db2.gz LIZBFRYGWGBUDR-RBUKOAKNSA-N 1 3 378.582 3.538 20 0 GHADHO C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC001135563925 894799529 /nfs/dbraw/zinc/79/95/29/894799529.db2.gz OLMNPEINWUVRIC-HYBUGGRVSA-N 1 3 393.575 3.749 20 0 GHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000564586295 895100134 /nfs/dbraw/zinc/10/01/34/895100134.db2.gz QTOMWEBBOJTZER-SFHVURJKSA-N 1 3 389.559 3.932 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000565188387 895450388 /nfs/dbraw/zinc/45/03/88/895450388.db2.gz BHPVFYLCHQGHJD-UHFFFAOYSA-N 1 3 395.950 3.634 20 0 GHADHO [NH3+]CCc1ccc(CN[C@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000817947663 895973518 /nfs/dbraw/zinc/97/35/18/895973518.db2.gz FCVOVIDGEVEPDQ-SFHVURJKSA-N 1 3 375.310 3.954 20 0 GHADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1Br ZINC000818953366 896290730 /nfs/dbraw/zinc/29/07/30/896290730.db2.gz KINQSSFDPFUYLP-HXUWFJFHSA-N 1 3 389.337 3.868 20 0 GHADHO Cc1ccc(OC[C@@H](O)CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282843 896527587 /nfs/dbraw/zinc/52/75/87/896527587.db2.gz CDLPLJCUJVPBIA-LADGPHEKSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(OC[C@@H](O)CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282843 896527596 /nfs/dbraw/zinc/52/75/96/896527596.db2.gz CDLPLJCUJVPBIA-LADGPHEKSA-N 1 3 382.548 3.545 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274872 896560649 /nfs/dbraw/zinc/56/06/49/896560649.db2.gz NHKVMTRYLVEHQT-FXAWDEMLSA-N 1 3 389.337 3.594 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274872 896560667 /nfs/dbraw/zinc/56/06/67/896560667.db2.gz NHKVMTRYLVEHQT-FXAWDEMLSA-N 1 3 389.337 3.594 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275667 896560795 /nfs/dbraw/zinc/56/07/95/896560795.db2.gz ZWIJBODQUHFYCP-YLJYHZDGSA-N 1 3 394.437 3.730 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275667 896560811 /nfs/dbraw/zinc/56/08/11/896560811.db2.gz ZWIJBODQUHFYCP-YLJYHZDGSA-N 1 3 394.437 3.730 20 0 GHADHO Cc1cccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000819330090 896572582 /nfs/dbraw/zinc/57/25/82/896572582.db2.gz YQJZSAHMZIGMSI-UCBGAZFYSA-N 1 3 394.559 3.910 20 0 GHADHO Cc1cccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000819330090 896572590 /nfs/dbraw/zinc/57/25/90/896572590.db2.gz YQJZSAHMZIGMSI-UCBGAZFYSA-N 1 3 394.559 3.910 20 0 GHADHO C[C@H](CN1CCC(C[NH+]2CCN(C)CC2)CC1)c1cccc(Br)c1 ZINC000567243308 897001429 /nfs/dbraw/zinc/00/14/29/897001429.db2.gz FRVAEVCPSCWPGR-QGZVFWFLSA-N 1 3 394.401 3.512 20 0 GHADHO C(C[C@H]1CCOC1)CN1CCCC2(CCC[N@H+](CCC[C@H]3CCOC3)C2)C1 ZINC000645917887 914123363 /nfs/dbraw/zinc/12/33/63/914123363.db2.gz DADHQGJWZUDVHW-OJSMNCEXSA-N 1 3 378.601 3.798 20 0 GHADHO C(C[C@H]1CCOC1)CN1CCCC2(CCC[N@@H+](CCC[C@H]3CCOC3)C2)C1 ZINC000645917887 914123375 /nfs/dbraw/zinc/12/33/75/914123375.db2.gz DADHQGJWZUDVHW-OJSMNCEXSA-N 1 3 378.601 3.798 20 0 GHADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)C1 ZINC000567521313 897221296 /nfs/dbraw/zinc/22/12/96/897221296.db2.gz ZDOCTKZJNZRDEH-FPOVZHCZSA-N 1 3 381.520 3.844 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3c4ccccc4CC[C@@H]3C)CC2)CC1 ZINC000568202221 897671085 /nfs/dbraw/zinc/67/10/85/897671085.db2.gz HAWRBOOQTRJBKI-FDDCHVKYSA-N 1 3 383.580 3.623 20 0 GHADHO COc1ccc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1OC ZINC000569172586 898388659 /nfs/dbraw/zinc/38/86/59/898388659.db2.gz XBVZREIFWHQVKE-ROUUACIJSA-N 1 3 390.568 3.724 20 0 GHADHO CC[C@@H](C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1)N(C)C ZINC001136593399 898420342 /nfs/dbraw/zinc/42/03/42/898420342.db2.gz AMJYZIMEHMOSGE-QFIPXVFZSA-N 1 3 381.564 3.897 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)N(C)C)cc1 ZINC000570055740 899094641 /nfs/dbraw/zinc/09/46/41/899094641.db2.gz GCVLUFZZPDGNIM-HSZRJFAPSA-N 1 3 397.563 3.611 20 0 GHADHO FC(F)Oc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000571327354 899830715 /nfs/dbraw/zinc/83/07/15/899830715.db2.gz VUWGCNAUGXLYKD-UONOGXRCSA-N 1 3 389.284 3.872 20 0 GHADHO COc1ncc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1C ZINC001137003261 900023259 /nfs/dbraw/zinc/02/32/59/900023259.db2.gz KEFKUZMJHCJVNL-JOCHJYFZSA-N 1 3 395.547 3.654 20 0 GHADHO COc1ncc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1C ZINC001137003261 900023266 /nfs/dbraw/zinc/02/32/66/900023266.db2.gz KEFKUZMJHCJVNL-JOCHJYFZSA-N 1 3 395.547 3.654 20 0 GHADHO C[NH+]1CCC(CN2CCN([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)CC2)CC1 ZINC001171088480 900179132 /nfs/dbraw/zinc/17/91/32/900179132.db2.gz VLTONBXNRPYUTF-LJQANCHMSA-N 1 3 396.406 3.810 20 0 GHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC[C@@H](O)COCc2cccs2)C1 ZINC000573236981 900430061 /nfs/dbraw/zinc/43/00/61/900430061.db2.gz STERRIOJPFABIX-GHTZIAJQSA-N 1 3 388.577 3.647 20 0 GHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC[C@@H](O)COCc2cccs2)C1 ZINC000573236981 900430069 /nfs/dbraw/zinc/43/00/69/900430069.db2.gz STERRIOJPFABIX-GHTZIAJQSA-N 1 3 388.577 3.647 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc(Cl)n1 ZINC000844176614 900565990 /nfs/dbraw/zinc/56/59/90/900565990.db2.gz VPXBNJRDSFGARH-IBGZPJMESA-N 1 3 388.943 3.590 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc(Cl)n1 ZINC000844176614 900565994 /nfs/dbraw/zinc/56/59/94/900565994.db2.gz VPXBNJRDSFGARH-IBGZPJMESA-N 1 3 388.943 3.590 20 0 GHADHO C[N@@H+]1CCC[C@H](C(=O)N(Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001186354998 914473228 /nfs/dbraw/zinc/47/32/28/914473228.db2.gz STJGRCQSKAZSMT-ZEQRLZLVSA-N 1 3 391.559 3.632 20 0 GHADHO C[N@H+]1CCC[C@H](C(=O)N(Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001186354998 914473236 /nfs/dbraw/zinc/47/32/36/914473236.db2.gz STJGRCQSKAZSMT-ZEQRLZLVSA-N 1 3 391.559 3.632 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000886780193 901269683 /nfs/dbraw/zinc/26/96/83/901269683.db2.gz DQRRUMLHSCUKJO-HNNXBMFYSA-N 1 3 389.531 3.731 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000886780193 901269699 /nfs/dbraw/zinc/26/96/99/901269699.db2.gz DQRRUMLHSCUKJO-HNNXBMFYSA-N 1 3 389.531 3.731 20 0 GHADHO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000575883000 901425616 /nfs/dbraw/zinc/42/56/16/901425616.db2.gz FSQRALIEKFJFTC-OSFFKXSWSA-N 1 3 395.591 3.810 20 0 GHADHO COc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1OCc1cccnc1 ZINC000092381251 901490864 /nfs/dbraw/zinc/49/08/64/901490864.db2.gz DNICTVWJXKYSRU-UHFFFAOYSA-N 1 3 383.536 3.833 20 0 GHADHO C[S@](=O)Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000576179502 901763023 /nfs/dbraw/zinc/76/30/23/901763023.db2.gz MXXURZMZQNRHNU-UKWMHNODSA-N 1 3 396.600 3.955 20 0 GHADHO C[S@](=O)Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000576179502 901763032 /nfs/dbraw/zinc/76/30/32/901763032.db2.gz MXXURZMZQNRHNU-UKWMHNODSA-N 1 3 396.600 3.955 20 0 GHADHO CCc1nc2c(s1)[C@@H](NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCC2 ZINC000132701153 903298237 /nfs/dbraw/zinc/29/82/37/903298237.db2.gz RAVLYFMSZZYJHU-IBGZPJMESA-N 1 3 385.577 3.829 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1Br ZINC000132746048 903302742 /nfs/dbraw/zinc/30/27/42/903302742.db2.gz REGZLMMPGBUOBT-HUUCEWRRSA-N 1 3 397.357 3.609 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)N(C)C)cc1 ZINC000646775421 914836447 /nfs/dbraw/zinc/83/64/47/914836447.db2.gz BKNZXQZNBVDLNY-XZOQPEGZSA-N 1 3 379.548 3.594 20 0 GHADHO C[NH+]1C(C)(C)CC(N[C@@H]2C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1(C)C ZINC001171630646 904851518 /nfs/dbraw/zinc/85/15/18/904851518.db2.gz RCUXKJVNRYEKRT-BPQIPLTHSA-N 1 3 377.573 3.649 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@@H]2C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1(C)C ZINC001171630646 904851529 /nfs/dbraw/zinc/85/15/29/904851529.db2.gz RCUXKJVNRYEKRT-BPQIPLTHSA-N 1 3 377.573 3.649 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1(C)C ZINC001171632109 904853705 /nfs/dbraw/zinc/85/37/05/904853705.db2.gz VBYGVEDZCRYVMD-SJORKVTESA-N 1 3 379.589 3.827 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1(C)C ZINC001171632109 904853719 /nfs/dbraw/zinc/85/37/19/904853719.db2.gz VBYGVEDZCRYVMD-SJORKVTESA-N 1 3 379.589 3.827 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171631475 904853941 /nfs/dbraw/zinc/85/39/41/904853941.db2.gz JAFJZHMLZHCUBA-JOCHJYFZSA-N 1 3 379.589 3.971 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171631475 904853956 /nfs/dbraw/zinc/85/39/56/904853956.db2.gz JAFJZHMLZHCUBA-JOCHJYFZSA-N 1 3 379.589 3.971 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1(C)C ZINC001171614035 904876840 /nfs/dbraw/zinc/87/68/40/904876840.db2.gz UDNRQPHRZXUVRQ-NJAFHUGGSA-N 1 3 379.589 3.873 20 0 GHADHO CN1C(C)(C)CC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2F)CC1(C)C ZINC001171621036 904886111 /nfs/dbraw/zinc/88/61/11/904886111.db2.gz GMSHMYWEBDYJCF-RDJZCZTQSA-N 1 3 385.568 3.823 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)CC1(C)C ZINC001171637888 904925638 /nfs/dbraw/zinc/92/56/38/904925638.db2.gz RBIBNYFNMHSVLE-UHFFFAOYSA-N 1 3 383.540 3.962 20 0 GHADHO C[NH+]1C(C)(C)CC(N2CCC(c3nc(-c4cccnc4)no3)CC2)CC1(C)C ZINC001171637888 904925643 /nfs/dbraw/zinc/92/56/43/904925643.db2.gz RBIBNYFNMHSVLE-UHFFFAOYSA-N 1 3 383.540 3.962 20 0 GHADHO C[NH+](C)CC[C@@H](N[C@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC001171866806 905115240 /nfs/dbraw/zinc/11/52/40/905115240.db2.gz OMODNCPYEIHBER-XZOQPEGZSA-N 1 3 379.548 3.964 20 0 GHADHO CC1(C)C[C@H](N2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171977376 905222675 /nfs/dbraw/zinc/22/26/75/905222675.db2.gz QYLKCYAEZGTXEG-BHDDXSALSA-N 1 3 391.559 3.711 20 0 GHADHO CC1(C)C[C@H](N2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977376 905222684 /nfs/dbraw/zinc/22/26/84/905222684.db2.gz QYLKCYAEZGTXEG-BHDDXSALSA-N 1 3 391.559 3.711 20 0 GHADHO COc1ccc(C[C@@H](CO)N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977371 905222737 /nfs/dbraw/zinc/22/27/37/905222737.db2.gz AYGQCCMKZZMFMS-VXKWHMMOSA-N 1 3 382.548 3.631 20 0 GHADHO COc1ccc(C[C@@H](CO)N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977371 905222743 /nfs/dbraw/zinc/22/27/43/905222743.db2.gz AYGQCCMKZZMFMS-VXKWHMMOSA-N 1 3 382.548 3.631 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC001172073430 905277105 /nfs/dbraw/zinc/27/71/05/905277105.db2.gz QPRMQPLHXBJLEK-NUNAXRQHSA-N 1 3 395.522 3.731 20 0 GHADHO O=C(NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC001172073430 905277121 /nfs/dbraw/zinc/27/71/21/905277121.db2.gz QPRMQPLHXBJLEK-NUNAXRQHSA-N 1 3 395.522 3.731 20 0 GHADHO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1OCc1cccnc1 ZINC000174599019 905304924 /nfs/dbraw/zinc/30/49/24/905304924.db2.gz AEVSBFVOMUMELT-SEJPIABJSA-N 1 3 381.520 3.774 20 0 GHADHO COCCN(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Cl)cc1 ZINC001172115744 905367007 /nfs/dbraw/zinc/36/70/07/905367007.db2.gz ZUYXDLQMLXUAAH-BURNTYAHSA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172115744 905367022 /nfs/dbraw/zinc/36/70/22/905367022.db2.gz ZUYXDLQMLXUAAH-BURNTYAHSA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115744 905367044 /nfs/dbraw/zinc/36/70/44/905367044.db2.gz ZUYXDLQMLXUAAH-BURNTYAHSA-N 1 3 379.976 3.564 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)CC1 ZINC001172779144 905820582 /nfs/dbraw/zinc/82/05/82/905820582.db2.gz BFNQWPQWKISPSU-RBUKOAKNSA-N 1 3 381.520 3.787 20 0 GHADHO O=C(c1ccc(F)cc1)N1CCC([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001173001535 906076716 /nfs/dbraw/zinc/07/67/16/906076716.db2.gz LYZMAIPJZVJCJQ-OAQYLSRUSA-N 1 3 387.543 3.771 20 0 GHADHO O=C(c1ccc(F)cc1)N1CCC([N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001173001535 906076733 /nfs/dbraw/zinc/07/67/33/906076733.db2.gz LYZMAIPJZVJCJQ-OAQYLSRUSA-N 1 3 387.543 3.771 20 0 GHADHO N[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@H]1F ZINC001206200137 906468287 /nfs/dbraw/zinc/46/82/87/906468287.db2.gz QLWCKVLWPWBQTA-SJORKVTESA-N 1 3 383.389 3.908 20 0 GHADHO N[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@H]1F ZINC001206200137 906468303 /nfs/dbraw/zinc/46/83/03/906468303.db2.gz QLWCKVLWPWBQTA-SJORKVTESA-N 1 3 383.389 3.908 20 0 GHADHO CN(CCOCC[NH3+])Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000629664952 906941127 /nfs/dbraw/zinc/94/11/27/906941127.db2.gz LYWVIGWEMJJART-UHFFFAOYSA-N 1 3 396.318 3.653 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CCC3)C2)CC1 ZINC001174704084 907166419 /nfs/dbraw/zinc/16/64/19/907166419.db2.gz CLUFTWOGVCOHJA-JOCHJYFZSA-N 1 3 383.580 3.588 20 0 GHADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183128129 907332893 /nfs/dbraw/zinc/33/28/93/907332893.db2.gz CLSUCGLIDVPAIT-ACIOBRDBSA-N 1 3 383.580 3.524 20 0 GHADHO Cc1c(-c2cc(CN(C)CCC3CCN(c4cc[nH+]cc4)CC3)on2)cnn1C ZINC000184709262 907645246 /nfs/dbraw/zinc/64/52/46/907645246.db2.gz XZQQZDSIRHZUTA-UHFFFAOYSA-N 1 3 394.523 3.517 20 0 GHADHO Fc1cc([C@@H]2OCC[C@H]2NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000631654801 907791923 /nfs/dbraw/zinc/79/19/23/907791923.db2.gz IHHAASZWARTQAU-AHRSYUTCSA-N 1 3 382.907 3.542 20 0 GHADHO CN1c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cc2CCC1=O ZINC000187232045 908059729 /nfs/dbraw/zinc/05/97/29/908059729.db2.gz VZPOWXRMQMPCGB-NOTZXAQLSA-N 1 3 389.543 3.881 20 0 GHADHO CN(C)C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1cccc(C(F)(F)F)c1 ZINC000632952156 908166587 /nfs/dbraw/zinc/16/65/87/908166587.db2.gz XJPDSZMWNLRHTD-QGZVFWFLSA-N 1 3 380.414 3.589 20 0 GHADHO CC[NH+](CC)CCOc1ccc(CNCc2cc3ccccc3n(C)c2=O)cc1 ZINC001177295087 908499280 /nfs/dbraw/zinc/49/92/80/908499280.db2.gz YBGIBSNDCHXUDE-UHFFFAOYSA-N 1 3 393.531 3.549 20 0 GHADHO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC001177266139 908507477 /nfs/dbraw/zinc/50/74/77/908507477.db2.gz BDCVVPMMYAOOAG-FQEVSTJZSA-N 1 3 381.564 3.554 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001178412114 909047270 /nfs/dbraw/zinc/04/72/70/909047270.db2.gz BRXAMGGDPVRNFT-QUCCMNQESA-N 1 3 379.589 3.924 20 0 GHADHO C[C@H](C(=O)NC1CCC(C)([NH+]2CCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001179796771 909736063 /nfs/dbraw/zinc/73/60/63/909736063.db2.gz WNIHHNWAQQJIGE-LQRWPSFBSA-N 1 3 397.607 3.853 20 0 GHADHO CC[NH+](CC)CC1CCN(Cc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC001180125112 909972785 /nfs/dbraw/zinc/97/27/85/909972785.db2.gz RKYGCEVGFFBZLR-UHFFFAOYSA-N 1 3 376.495 3.919 20 0 GHADHO CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000268766243 910005601 /nfs/dbraw/zinc/00/56/01/910005601.db2.gz QDINWQJOLHMFTF-IBGZPJMESA-N 1 3 397.563 3.960 20 0 GHADHO CCOc1ccccc1Oc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cn1 ZINC000638381242 910137660 /nfs/dbraw/zinc/13/76/60/910137660.db2.gz KOIAVQWBDRCLIP-UHFFFAOYSA-N 1 3 399.535 3.598 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639304574 910380173 /nfs/dbraw/zinc/38/01/73/910380173.db2.gz WZIWVPRRTNWAIH-VWNXMTODSA-N 1 3 377.532 3.780 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639304574 910380188 /nfs/dbraw/zinc/38/01/88/910380188.db2.gz WZIWVPRRTNWAIH-VWNXMTODSA-N 1 3 377.532 3.780 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639304571 910381690 /nfs/dbraw/zinc/38/16/90/910381690.db2.gz WZIWVPRRTNWAIH-ISKFKSNPSA-N 1 3 377.532 3.780 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639304571 910381709 /nfs/dbraw/zinc/38/17/09/910381709.db2.gz WZIWVPRRTNWAIH-ISKFKSNPSA-N 1 3 377.532 3.780 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001181485912 910817079 /nfs/dbraw/zinc/81/70/79/910817079.db2.gz KZCYAGAAHQLARP-GOSISDBHSA-N 1 3 397.510 3.825 20 0 GHADHO CN1Cc2c(NC(=O)C3(C)CC[NH+](C)CC3)cccc2[C@@H](c2ccccc2)C1 ZINC001181988281 911111651 /nfs/dbraw/zinc/11/16/51/911111651.db2.gz YCWREQIEFDPVMI-HXUWFJFHSA-N 1 3 377.532 3.934 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248402790 912056987 /nfs/dbraw/zinc/05/69/87/912056987.db2.gz NTMTVHDBEDZWLA-GNLZIIPMSA-N 1 3 380.532 3.619 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248402790 912056996 /nfs/dbraw/zinc/05/69/96/912056996.db2.gz NTMTVHDBEDZWLA-GNLZIIPMSA-N 1 3 380.532 3.619 20 0 GHADHO O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000649628777 916276922 /nfs/dbraw/zinc/27/69/22/916276922.db2.gz HFHHPYBXGCNCSJ-IKGGRYGDSA-N 1 3 382.426 3.745 20 0 GHADHO O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000649628777 916276941 /nfs/dbraw/zinc/27/69/41/916276941.db2.gz HFHHPYBXGCNCSJ-IKGGRYGDSA-N 1 3 382.426 3.745 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000650707269 917244044 /nfs/dbraw/zinc/24/40/44/917244044.db2.gz BZDHDRGOTVARBC-CBGDNZLLSA-N 1 3 377.960 3.659 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cncc(OCc3ccccc3)c2)C1 ZINC000652364027 917882479 /nfs/dbraw/zinc/88/24/79/917882479.db2.gz VRIBOKNZALZGRI-AKIFATBCSA-N 1 3 381.520 3.521 20 0 GHADHO CCn1cc([C@@H](C)NCc2cccc(C[NH2+][C@H](C)c3cnn(CC)c3)c2)cn1 ZINC000296245531 918042332 /nfs/dbraw/zinc/04/23/32/918042332.db2.gz XFRHYKXPYFHIJK-QZTJIDSGSA-N 1 3 380.540 3.821 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCCc2nc(Cl)ccc21 ZINC000296346943 918164498 /nfs/dbraw/zinc/16/44/98/918164498.db2.gz HGAFQYCKNJPRRR-UYAOXDASSA-N 1 3 385.939 3.859 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCCc2nc(Cl)ccc21 ZINC000296346943 918164506 /nfs/dbraw/zinc/16/45/06/918164506.db2.gz HGAFQYCKNJPRRR-UYAOXDASSA-N 1 3 385.939 3.859 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)CC1 ZINC000800328851 919913165 /nfs/dbraw/zinc/91/31/65/919913165.db2.gz VHRDGDNKBDCFBP-FQEVSTJZSA-N 1 3 379.976 3.599 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)CC1 ZINC000800328851 919913180 /nfs/dbraw/zinc/91/31/80/919913180.db2.gz VHRDGDNKBDCFBP-FQEVSTJZSA-N 1 3 379.976 3.599 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000367043249 921889257 /nfs/dbraw/zinc/88/92/57/921889257.db2.gz OMAZHHMUHQEIGB-SFHVURJKSA-N 1 3 388.531 3.562 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000367043249 921889264 /nfs/dbraw/zinc/88/92/64/921889264.db2.gz OMAZHHMUHQEIGB-SFHVURJKSA-N 1 3 388.531 3.562 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000802220468 921923557 /nfs/dbraw/zinc/92/35/57/921923557.db2.gz UYCUJIKESMMDHT-UHFFFAOYSA-N 1 3 392.547 3.677 20 0 GHADHO COc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1OCc1ccccc1 ZINC000903956352 923434519 /nfs/dbraw/zinc/43/45/19/923434519.db2.gz JWTIOWMVRHHDGY-GOSISDBHSA-N 1 3 376.447 3.609 20 0 GHADHO COc1cc(Cl)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000677150808 924260968 /nfs/dbraw/zinc/26/09/68/924260968.db2.gz SYOMBNFZQDUXBS-ZIAGYGMSSA-N 1 3 375.340 3.981 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)CC1 ZINC000371338044 924534719 /nfs/dbraw/zinc/53/47/19/924534719.db2.gz YBXYLRXDUDQZGI-UHFFFAOYSA-N 1 3 378.564 3.739 20 0 GHADHO C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000678285996 924707732 /nfs/dbraw/zinc/70/77/32/924707732.db2.gz SMAUPDNLRMJABG-PXDATVDWSA-N 1 3 392.591 3.912 20 0 GHADHO C(CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637774 924857863 /nfs/dbraw/zinc/85/78/63/924857863.db2.gz CEVDYTOFOOOJLP-LUKWVAJMSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637774 924857865 /nfs/dbraw/zinc/85/78/65/924857865.db2.gz CEVDYTOFOOOJLP-LUKWVAJMSA-N 1 3 378.601 3.654 20 0 GHADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC12CCCCC2 ZINC000372079486 925129764 /nfs/dbraw/zinc/12/97/64/925129764.db2.gz ZQMKUSZEBJYZRQ-IBGZPJMESA-N 1 3 390.616 3.547 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN(C4CCCC4)CC3)cc2)C1 ZINC000410366630 925574900 /nfs/dbraw/zinc/57/49/00/925574900.db2.gz HPQSMGSTVGOWOL-HXUWFJFHSA-N 1 3 398.595 3.688 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN(C4CCCC4)CC3)cc2)C1 ZINC000410366630 925574903 /nfs/dbraw/zinc/57/49/03/925574903.db2.gz HPQSMGSTVGOWOL-HXUWFJFHSA-N 1 3 398.595 3.688 20 0 GHADHO CC(=O)N1CC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2C1 ZINC000373125239 925873528 /nfs/dbraw/zinc/87/35/28/925873528.db2.gz RZVXBPLBNJHBAM-XMMPIXPASA-N 1 3 377.532 3.866 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000411478187 926445657 /nfs/dbraw/zinc/44/56/57/926445657.db2.gz ROJFFGRJMXWEJO-QFIPXVFZSA-N 1 3 375.532 3.636 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1CN1CCCCC1 ZINC000374991829 927788045 /nfs/dbraw/zinc/78/80/45/927788045.db2.gz SUNPREOXZCEOPJ-ZEYPLWLESA-N 1 3 388.552 3.670 20 0 GHADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000467738205 929356944 /nfs/dbraw/zinc/35/69/44/929356944.db2.gz SLZNYZRNNKIOOT-CYBMUJFWSA-N 1 3 387.471 3.996 20 0 GHADHO C[C@H](Cn1cc(Br)cn1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000469235219 929719606 /nfs/dbraw/zinc/71/96/06/929719606.db2.gz JYRAEEJLYIZVDB-MRXNPFEDSA-N 1 3 391.357 3.810 20 0 GHADHO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000470375441 930570743 /nfs/dbraw/zinc/57/07/43/930570743.db2.gz NDFGGQXHCGTQIV-UHFFFAOYSA-N 1 3 389.543 3.951 20 0 GHADHO CC(C)[NH+](CCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C(C)C ZINC000470468448 930642015 /nfs/dbraw/zinc/64/20/15/930642015.db2.gz ZKACJVLXCHVKIK-OAQYLSRUSA-N 1 3 388.600 3.801 20 0 GHADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470898016 931011292 /nfs/dbraw/zinc/01/12/92/931011292.db2.gz PUVYMIZBOBRRBH-RZUBCFFCSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470898016 931011299 /nfs/dbraw/zinc/01/12/99/931011299.db2.gz PUVYMIZBOBRRBH-RZUBCFFCSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611633 931444944 /nfs/dbraw/zinc/44/49/44/931444944.db2.gz ZFBUMRCAVZHXHE-QRVBRYPASA-N 1 3 382.552 3.679 20 0 GHADHO COc1ccc([C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC000557575550 931554198 /nfs/dbraw/zinc/55/41/98/931554198.db2.gz BEHXFDGJSNQIHT-JOCHJYFZSA-N 1 3 387.568 3.603 20 0 GHADHO COc1ccc([C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC000557575550 931554203 /nfs/dbraw/zinc/55/42/03/931554203.db2.gz BEHXFDGJSNQIHT-JOCHJYFZSA-N 1 3 387.568 3.603 20 0 GHADHO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C[C@H](O)C[NH+]2CCCC2)c1 ZINC000784318859 931854135 /nfs/dbraw/zinc/85/41/35/931854135.db2.gz ANPRFRMSNCNCBX-YFNKSVMNSA-N 1 3 380.532 3.683 20 0 GHADHO CC[NH+]1CCC(CCN[C@H](C)c2cnccc2NC(=O)OC(C)(C)C)CC1 ZINC000796785622 932067475 /nfs/dbraw/zinc/06/74/75/932067475.db2.gz KYNOMELJNPGIJD-MRXNPFEDSA-N 1 3 376.545 3.623 20 0 GHADHO Cc1ccc2c(ccc(C)c2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000931217296 934446592 /nfs/dbraw/zinc/44/65/92/934446592.db2.gz OYQGKBUYBOAIOJ-UHFFFAOYSA-N 1 3 379.548 3.745 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1ccccc1O2 ZINC001120559902 934473087 /nfs/dbraw/zinc/47/30/87/934473087.db2.gz YXPFYVMFWAKNQT-UXHICEINSA-N 1 3 386.923 3.951 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1O2 ZINC001120559902 934473090 /nfs/dbraw/zinc/47/30/90/934473090.db2.gz YXPFYVMFWAKNQT-UXHICEINSA-N 1 3 386.923 3.951 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000468579115 1015819149 /nfs/dbraw/zinc/81/91/49/1015819149.db2.gz QGPXCKYWIQVZHM-QHCPKHFHSA-N 1 3 393.575 3.951 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000468579115 1015819154 /nfs/dbraw/zinc/81/91/54/1015819154.db2.gz QGPXCKYWIQVZHM-QHCPKHFHSA-N 1 3 393.575 3.951 20 0 GHADHO CCN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001221069298 1032265237 /nfs/dbraw/zinc/26/52/37/1032265237.db2.gz VGVBRDIJAZGUFH-NRFANRHFSA-N 1 3 386.584 3.557 20 0 GHADHO CO[C@@H](COc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1ccccc1 ZINC001227160530 1032300268 /nfs/dbraw/zinc/30/02/68/1032300268.db2.gz ITJPKIYHUZLDTH-QHCPKHFHSA-N 1 3 399.579 3.638 20 0 GHADHO CCCCN(CC)[C@@H](C(=O)N[C@H](C[NH3+])c1cccc(OC)c1)c1ccccc1 ZINC001221404342 1032400005 /nfs/dbraw/zinc/40/00/05/1032400005.db2.gz HOCIXFSKRCHTFV-FGZHOGPDSA-N 1 3 383.536 3.675 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC001221604376 1032478394 /nfs/dbraw/zinc/47/83/94/1032478394.db2.gz WIEIEAUWRAXNQD-XMMPIXPASA-N 1 3 394.563 3.602 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC001221604376 1032478401 /nfs/dbraw/zinc/47/84/01/1032478401.db2.gz WIEIEAUWRAXNQD-XMMPIXPASA-N 1 3 394.563 3.602 20 0 GHADHO c1ccc2c(c1)cc(N1CCCC1)nc2NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155382762 1032526498 /nfs/dbraw/zinc/52/64/98/1032526498.db2.gz IMYACGQEGJQLTF-LJQANCHMSA-N 1 3 380.536 3.796 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCC3(CC2)OC(=O)c2ccccc23)cc1 ZINC001204266918 1032708922 /nfs/dbraw/zinc/70/89/22/1032708922.db2.gz BEAPPCGHRHKVER-UHFFFAOYSA-N 1 3 394.515 3.679 20 0 GHADHO COc1ccccc1O[C@@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204268245 1032710856 /nfs/dbraw/zinc/71/08/56/1032710856.db2.gz GZRSQAVBKVCJHM-OAQYLSRUSA-N 1 3 384.520 3.679 20 0 GHADHO C[C@@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC001227962945 1032718179 /nfs/dbraw/zinc/71/81/79/1032718179.db2.gz RYMFTOXWJJNAMF-FOODFGNOSA-N 1 3 386.584 3.584 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000564017748 1018995013 /nfs/dbraw/zinc/99/50/13/1018995013.db2.gz SPOSRFOPKBZUKN-FGZHOGPDSA-N 1 3 387.568 3.600 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000564017748 1018995015 /nfs/dbraw/zinc/99/50/15/1018995015.db2.gz SPOSRFOPKBZUKN-FGZHOGPDSA-N 1 3 387.568 3.600 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)o1 ZINC001204390661 1032817480 /nfs/dbraw/zinc/81/74/80/1032817480.db2.gz IUZOHQUBFYKNOQ-FQEVSTJZSA-N 1 3 390.568 3.572 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)o1 ZINC001204390661 1032817485 /nfs/dbraw/zinc/81/74/85/1032817485.db2.gz IUZOHQUBFYKNOQ-FQEVSTJZSA-N 1 3 390.568 3.572 20 0 GHADHO CN1CCN(CC[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC1(C)C ZINC000568457211 1019409649 /nfs/dbraw/zinc/40/96/49/1019409649.db2.gz XTLYPDVHPBTSMC-UHFFFAOYSA-N 1 3 379.592 3.704 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)NCCC1CC[NH+](C(C)C)CC1)c1ccco1 ZINC001228189311 1032831219 /nfs/dbraw/zinc/83/12/19/1032831219.db2.gz HMWKBZWDCJDRRM-IEBWSBKVSA-N 1 3 378.561 3.519 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1)c1ccco1 ZINC001228188708 1032831533 /nfs/dbraw/zinc/83/15/33/1032831533.db2.gz DNDBZSCRXWXYAE-ZCNNSNEGSA-N 1 3 392.588 3.909 20 0 GHADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000575154227 1019927609 /nfs/dbraw/zinc/92/76/09/1019927609.db2.gz BISWHEVXOCITQE-IRXDYDNUSA-N 1 3 378.520 3.568 20 0 GHADHO OC[C@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000578102303 1020328288 /nfs/dbraw/zinc/32/82/88/1020328288.db2.gz CBWDPWPSZNXPRN-VMAPGKTHSA-N 1 3 376.544 3.938 20 0 GHADHO OC[C@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000578102303 1020328298 /nfs/dbraw/zinc/32/82/98/1020328298.db2.gz CBWDPWPSZNXPRN-VMAPGKTHSA-N 1 3 376.544 3.938 20 0 GHADHO CN1CCN(Cc2cccc(Nc3ccc(OCCC[NH+](C)C)cc3)c2)CC1 ZINC001204537598 1032957400 /nfs/dbraw/zinc/95/74/00/1032957400.db2.gz KMJUJPUVCBSUQM-UHFFFAOYSA-N 1 3 382.552 3.508 20 0 GHADHO CCN1C[C@@H]2C[N@@H+](Cc3ccccc3-c3cccc(Br)n3)C[C@@H]2C1 ZINC001140408262 1021589444 /nfs/dbraw/zinc/58/94/44/1021589444.db2.gz DOXRUAHERYVFCV-CALCHBBNSA-N 1 3 386.337 3.895 20 0 GHADHO CCN1C[C@@H]2C[N@H+](Cc3ccccc3-c3cccc(Br)n3)C[C@@H]2C1 ZINC001140408262 1021589458 /nfs/dbraw/zinc/58/94/58/1021589458.db2.gz DOXRUAHERYVFCV-CALCHBBNSA-N 1 3 386.337 3.895 20 0 GHADHO CCCC[N@H+](C)CC1CCN(Cc2ccccc2O[C@H](C)C(=O)OC)CC1 ZINC001204651497 1033012925 /nfs/dbraw/zinc/01/29/25/1033012925.db2.gz OVSZIYQAUZYTHS-GOSISDBHSA-N 1 3 376.541 3.571 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccccc2O[C@H](C)C(=O)OC)CC1 ZINC001204651497 1033012935 /nfs/dbraw/zinc/01/29/35/1033012935.db2.gz OVSZIYQAUZYTHS-GOSISDBHSA-N 1 3 376.541 3.571 20 0 GHADHO C[C@@H](CCCCO)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000679332272 1021988129 /nfs/dbraw/zinc/98/81/29/1021988129.db2.gz SRFZZKWYVPUWPG-NRFANRHFSA-N 1 3 381.564 3.650 20 0 GHADHO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CCC1 ZINC000754107402 1022487982 /nfs/dbraw/zinc/48/79/82/1022487982.db2.gz UQMNUWKKRQLLSQ-SFHVURJKSA-N 1 3 387.568 3.638 20 0 GHADHO CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001138057094 1023962056 /nfs/dbraw/zinc/96/20/56/1023962056.db2.gz GWLUPITUAYOVAL-XZOQPEGZSA-N 1 3 379.548 3.802 20 0 GHADHO Nc1c(Cl)cc(Cl)cc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001202839250 1024974384 /nfs/dbraw/zinc/97/43/84/1024974384.db2.gz CBERSAMINCCZMB-UHFFFAOYSA-N 1 3 394.346 3.692 20 0 GHADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001229073824 1033263981 /nfs/dbraw/zinc/26/39/81/1033263981.db2.gz ONEQSWMALYRSMS-FGZHOGPDSA-N 1 3 394.563 3.538 20 0 GHADHO CCOC(=O)[C@H]1CCCN(C2CC[NH+](Cc3ccc4cc(O)ccc4c3)CC2)C1 ZINC001139335973 1026198009 /nfs/dbraw/zinc/19/80/09/1026198009.db2.gz HJGKQKYTBOZDPO-NRFANRHFSA-N 1 3 396.531 3.785 20 0 GHADHO CN1CC2(C1)CC[NH+](Cc1cc3c(s1)CCN(C(=O)OC(C)(C)C)C3)CC2 ZINC001139655613 1026517362 /nfs/dbraw/zinc/51/73/62/1026517362.db2.gz HSQLLEKOSSVOQP-UHFFFAOYSA-N 1 3 391.581 3.569 20 0 GHADHO C[NH+]1CCC2(CCN(Cc3c[nH]c4nccc(Br)c34)CC2)CC1 ZINC001139945814 1026751574 /nfs/dbraw/zinc/75/15/74/1026751574.db2.gz QEHWZSPOOLHZDN-UHFFFAOYSA-N 1 3 377.330 3.633 20 0 GHADHO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCN(C)C2)c1OC(F)F ZINC001461182473 1069430667 /nfs/dbraw/zinc/43/06/67/1069430667.db2.gz PMCWYGAVBGVWHE-GFCCVEGCSA-N 1 3 377.273 3.790 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364018 1029940686 /nfs/dbraw/zinc/94/06/86/1029940686.db2.gz KQHFXQUIMRGKPS-UONOGXRCSA-N 1 3 384.351 3.635 20 0 GHADHO C[C@H]1C[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426752 1029998282 /nfs/dbraw/zinc/99/82/82/1029998282.db2.gz JMGPZKIDISLMRB-NRDMVMEKSA-N 1 3 387.568 3.567 20 0 GHADHO C[C@H]1C[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426752 1029998289 /nfs/dbraw/zinc/99/82/89/1029998289.db2.gz JMGPZKIDISLMRB-NRDMVMEKSA-N 1 3 387.568 3.567 20 0 GHADHO CCOc1c(Br)cc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC001461604608 1069636137 /nfs/dbraw/zinc/63/61/37/1069636137.db2.gz HFKRBUAFTFNCOY-IRXDYDNUSA-N 1 3 397.357 3.963 20 0 GHADHO CCOc1c(Br)cc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC001461604608 1069636143 /nfs/dbraw/zinc/63/61/43/1069636143.db2.gz HFKRBUAFTFNCOY-IRXDYDNUSA-N 1 3 397.357 3.963 20 0 GHADHO C[N@H+]1Cc2c(NC(=O)[C@@H](N)Cc3ccsc3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046650 1031227676 /nfs/dbraw/zinc/22/76/76/1031227676.db2.gz GEBFJSDKLBGMBJ-CTNGQTDRSA-N 1 3 391.540 3.834 20 0 GHADHO C[N@@H+]1Cc2c(NC(=O)[C@@H](N)Cc3ccsc3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046650 1031227696 /nfs/dbraw/zinc/22/76/96/1031227696.db2.gz GEBFJSDKLBGMBJ-CTNGQTDRSA-N 1 3 391.540 3.834 20 0 GHADHO CCCCN(CC)[C@H](C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1)c1ccccc1 ZINC001219787567 1031619819 /nfs/dbraw/zinc/61/98/19/1031619819.db2.gz GWLCSFKXKDGWBT-REWPJTCUSA-N 1 3 396.579 3.577 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC(C)(c1ccccc1)c1ccccc1 ZINC001219991965 1031733006 /nfs/dbraw/zinc/73/30/06/1031733006.db2.gz VLAFUIWGHPWADM-QFIPXVFZSA-N 1 3 381.564 3.604 20 0 GHADHO C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849304 1069790077 /nfs/dbraw/zinc/79/00/77/1069790077.db2.gz HNKDMZNDYYXRDZ-VAMGGRTRSA-N 1 3 379.589 3.830 20 0 GHADHO C[C@@H]1C[C@H](C[N@H+]2CC[C@H](CN3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849304 1069790097 /nfs/dbraw/zinc/79/00/97/1069790097.db2.gz HNKDMZNDYYXRDZ-VAMGGRTRSA-N 1 3 379.589 3.830 20 0 GHADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(C)c1I ZINC001206036603 1033696093 /nfs/dbraw/zinc/69/60/93/1033696093.db2.gz LWBFGUKJMJFUEC-HOCLYGCPSA-N 1 3 386.321 3.715 20 0 GHADHO [NH3+]CC1(c2ccccc2)CCN(Cc2c[nH]c3ncc(Br)cc23)CC1 ZINC001206749798 1033968405 /nfs/dbraw/zinc/96/84/05/1033968405.db2.gz NMRHQOKADRYHCE-UHFFFAOYSA-N 1 3 399.336 3.818 20 0 GHADHO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@@H]1CN(Cc3ccccc3)C[C@H]1C)C2 ZINC001207102373 1034094055 /nfs/dbraw/zinc/09/40/55/1034094055.db2.gz OIKMNBNQKWLKSE-CKPWDMNVSA-N 1 3 384.564 3.856 20 0 GHADHO c1ccc(C[NH+]2CCC(CN3CCN(c4noc5ccccc54)CC3)CC2)cc1 ZINC001207286370 1034237663 /nfs/dbraw/zinc/23/76/63/1034237663.db2.gz HQWNVOJFOMLZQH-UHFFFAOYSA-N 1 3 390.531 3.862 20 0 GHADHO CN(C)CC(C)(C)C[NH+]1CCC2(Cc3cc(Br)ccc3O2)CC1 ZINC001207287871 1034238239 /nfs/dbraw/zinc/23/82/39/1034238239.db2.gz ICKZWHIAGKFYFZ-UHFFFAOYSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cccc(CN2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001207292369 1034244217 /nfs/dbraw/zinc/24/42/17/1034244217.db2.gz QAIHKLBBWJIDAR-UHFFFAOYSA-N 1 3 393.575 3.725 20 0 GHADHO Cc1ccc(C[N@@H+]2CCCC3(CCN(CC(C)(C)N4CCOCC4)CC3)C2)cc1 ZINC001207301997 1034252921 /nfs/dbraw/zinc/25/29/21/1034252921.db2.gz OZTGJVFZIRKPMR-UHFFFAOYSA-N 1 3 399.623 3.784 20 0 GHADHO Cc1ccc(C[N@H+]2CCCC3(CCN(CC(C)(C)N4CCOCC4)CC3)C2)cc1 ZINC001207301997 1034252938 /nfs/dbraw/zinc/25/29/38/1034252938.db2.gz OZTGJVFZIRKPMR-UHFFFAOYSA-N 1 3 399.623 3.784 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccc(-c4ccco4)nn3)c3ccccc23)CC1 ZINC001159468470 1034609856 /nfs/dbraw/zinc/60/98/56/1034609856.db2.gz XCMOMXYMBFWBGC-UHFFFAOYSA-N 1 3 387.487 3.646 20 0 GHADHO Nc1ccccc1N(CC1CC[NH2+]CC1)C1=CCCN(Cc2ccccc2)C1 ZINC001159888807 1034775820 /nfs/dbraw/zinc/77/58/20/1034775820.db2.gz DQPNTQBKHIUHQK-UHFFFAOYSA-N 1 3 376.548 3.865 20 0 GHADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(CC3(C[NH+](C)C)CCCC3)C1)C2 ZINC001208185339 1034783859 /nfs/dbraw/zinc/78/38/59/1034783859.db2.gz ASVFPWQTFLGYRP-HYBUGGRVSA-N 1 3 384.564 3.704 20 0 GHADHO CCN(CC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1)C(=O)OC(C)(C)C ZINC001208579640 1034938769 /nfs/dbraw/zinc/93/87/69/1034938769.db2.gz YJSGGHSHOCADGE-UHFFFAOYSA-N 1 3 387.568 3.841 20 0 GHADHO CCN(CCN1CCC2(C[NH+](Cc3ccccc3)C2)CC1)C(=O)OC(C)(C)C ZINC001208579640 1034938773 /nfs/dbraw/zinc/93/87/73/1034938773.db2.gz YJSGGHSHOCADGE-UHFFFAOYSA-N 1 3 387.568 3.841 20 0 GHADHO CC1(C)C[NH2+]C[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160683448 1035035087 /nfs/dbraw/zinc/03/50/87/1035035087.db2.gz MMQMCXDLTKQRRI-PKTZIBPZSA-N 1 3 391.559 3.535 20 0 GHADHO COC[C@@H]1CC[N@@H+]1CC1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208819479 1035038579 /nfs/dbraw/zinc/03/85/79/1035038579.db2.gz GUGYZEKZEAELKZ-NRFANRHFSA-N 1 3 388.552 3.575 20 0 GHADHO COC[C@@H]1CC[N@H+]1CC1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208819479 1035038585 /nfs/dbraw/zinc/03/85/85/1035038585.db2.gz GUGYZEKZEAELKZ-NRFANRHFSA-N 1 3 388.552 3.575 20 0 GHADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160704850 1035040078 /nfs/dbraw/zinc/04/00/78/1035040078.db2.gz PEJYJCWTCHTOER-RTWAWAEBSA-N 1 3 375.516 3.538 20 0 GHADHO C[C@@H]1CN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@]1(O)C(F)(F)F ZINC001208930776 1035094758 /nfs/dbraw/zinc/09/47/58/1035094758.db2.gz DPSZMZSRBHELOM-MISYRCLQSA-N 1 3 384.486 3.924 20 0 GHADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@]1(O)C(F)(F)F ZINC001208930776 1035094763 /nfs/dbraw/zinc/09/47/63/1035094763.db2.gz DPSZMZSRBHELOM-MISYRCLQSA-N 1 3 384.486 3.924 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208941602 1035109211 /nfs/dbraw/zinc/10/92/11/1035109211.db2.gz MRBBLHAVFGLFFP-BHDDXSALSA-N 1 3 399.579 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208941602 1035109214 /nfs/dbraw/zinc/10/92/14/1035109214.db2.gz MRBBLHAVFGLFFP-BHDDXSALSA-N 1 3 399.579 3.840 20 0 GHADHO O=C1c2ccccc2CN1[C@H]1CC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208947098 1035117226 /nfs/dbraw/zinc/11/72/26/1035117226.db2.gz YXIWEICZRNQFEP-GGAORHGYSA-N 1 3 389.543 3.629 20 0 GHADHO O=C1c2ccccc2CN1[C@H]1CC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208947098 1035117227 /nfs/dbraw/zinc/11/72/27/1035117227.db2.gz YXIWEICZRNQFEP-GGAORHGYSA-N 1 3 389.543 3.629 20 0 GHADHO CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(F)cc(C[NH+](C)C)c1)[C@H]2C ZINC001232147575 1035125482 /nfs/dbraw/zinc/12/54/82/1035125482.db2.gz CJXAJXVCQJSDCB-KRWDZBQOSA-N 1 3 387.547 3.501 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149650 1035127751 /nfs/dbraw/zinc/12/77/51/1035127751.db2.gz NPOGFUVTPIHHMH-PKTZIBPZSA-N 1 3 381.539 3.841 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149650 1035127755 /nfs/dbraw/zinc/12/77/55/1035127755.db2.gz NPOGFUVTPIHHMH-PKTZIBPZSA-N 1 3 381.539 3.841 20 0 GHADHO CC(C)(C)OC(=O)NC[C@]1(C)CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208956577 1035129949 /nfs/dbraw/zinc/12/99/49/1035129949.db2.gz BQTLZUIDBPOMDP-OFNKIYASSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NC[C@]1(C)CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208956577 1035129957 /nfs/dbraw/zinc/12/99/57/1035129957.db2.gz BQTLZUIDBPOMDP-OFNKIYASSA-N 1 3 387.568 3.745 20 0 GHADHO CN1CCC(N(C(=O)C[C@H]([NH3+])Cc2cccc3ccccc32)C2CCCC2)CC1 ZINC001161454534 1035234145 /nfs/dbraw/zinc/23/41/45/1035234145.db2.gz WUAKVAPRHUUWRM-OAQYLSRUSA-N 1 3 393.575 3.965 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209367378 1035255910 /nfs/dbraw/zinc/25/59/10/1035255910.db2.gz MLWJJXJLQXLFNA-SFTDATJTSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209367378 1035255914 /nfs/dbraw/zinc/25/59/14/1035255914.db2.gz MLWJJXJLQXLFNA-SFTDATJTSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001209367378 1035255916 /nfs/dbraw/zinc/25/59/16/1035255916.db2.gz MLWJJXJLQXLFNA-SFTDATJTSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001209367378 1035255918 /nfs/dbraw/zinc/25/59/18/1035255918.db2.gz MLWJJXJLQXLFNA-SFTDATJTSA-N 1 3 387.568 3.745 20 0 GHADHO CC[C@H](C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459871 1035279736 /nfs/dbraw/zinc/27/97/36/1035279736.db2.gz APEPKRTYDAKOJI-OFNKIYASSA-N 1 3 387.568 3.888 20 0 GHADHO CC[C@H](C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459871 1035279739 /nfs/dbraw/zinc/27/97/39/1035279739.db2.gz APEPKRTYDAKOJI-OFNKIYASSA-N 1 3 387.568 3.888 20 0 GHADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1cc(Cl)cc(C(F)(F)F)c1)CC2 ZINC001278360656 1036089025 /nfs/dbraw/zinc/08/90/25/1036089025.db2.gz XFWXLLQXFZCFRH-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(F)c2)CCCCC1 ZINC001245999556 1037121003 /nfs/dbraw/zinc/12/10/03/1037121003.db2.gz AKUZICWMNXPODP-LEWJYISDSA-N 1 3 392.465 3.784 20 0 GHADHO CC(C)(Cc1ccccc1C(F)(F)F)NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246003199 1037123138 /nfs/dbraw/zinc/12/31/38/1037123138.db2.gz DBLXVFLQZOZTRE-RBUKOAKNSA-N 1 3 380.454 3.547 20 0 GHADHO C[C@](O)(C[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2)c1ccccc1 ZINC001246023540 1037140415 /nfs/dbraw/zinc/14/04/15/1037140415.db2.gz CUVZDANIQFWQDX-ZEQRLZLVSA-N 1 3 394.559 3.698 20 0 GHADHO C[C@](O)(C[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2)c1ccccc1 ZINC001246023540 1037140425 /nfs/dbraw/zinc/14/04/25/1037140425.db2.gz CUVZDANIQFWQDX-ZEQRLZLVSA-N 1 3 394.559 3.698 20 0 GHADHO C[C@](O)(CN1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246023540 1037140441 /nfs/dbraw/zinc/14/04/41/1037140441.db2.gz CUVZDANIQFWQDX-ZEQRLZLVSA-N 1 3 394.559 3.698 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([NH2+][C@@]2(C)CCNC2)CC1 ZINC001246097008 1037193710 /nfs/dbraw/zinc/19/37/10/1037193710.db2.gz MJEHHVOECKQSHS-XBMUEBEBSA-N 1 3 397.357 3.549 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([NH2+]C1(Cc3ccccc3F)CCNCC1)CC2 ZINC001246380970 1037338812 /nfs/dbraw/zinc/33/88/12/1037338812.db2.gz LPAJQBCDCUGCPF-LVIWNVNYSA-N 1 3 388.527 3.592 20 0 GHADHO Fc1cccc(N2CCC([NH2+]C3(Cc4ccccc4F)CCNCC3)CC2)c1 ZINC001246379716 1037339911 /nfs/dbraw/zinc/33/99/11/1037339911.db2.gz BFHRVVVJDLQAAT-UHFFFAOYSA-N 1 3 385.502 3.888 20 0 GHADHO Fc1cccc(N2CCC(NC3(Cc4ccccc4F)CC[NH2+]CC3)CC2)c1 ZINC001246379716 1037339928 /nfs/dbraw/zinc/33/99/28/1037339928.db2.gz BFHRVVVJDLQAAT-UHFFFAOYSA-N 1 3 385.502 3.888 20 0 GHADHO Clc1ccccc1CC1(N[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246388897 1037350196 /nfs/dbraw/zinc/35/01/96/1037350196.db2.gz HNYGWAFKLLBMPI-OAQYLSRUSA-N 1 3 383.967 3.869 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H](NC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246392044 1037352057 /nfs/dbraw/zinc/35/20/57/1037352057.db2.gz XODFLEDLPWMQSH-NVXWUHKLSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CCNCC2)C1 ZINC001246392044 1037352083 /nfs/dbraw/zinc/35/20/83/1037352083.db2.gz XODFLEDLPWMQSH-NVXWUHKLSA-N 1 3 398.469 3.692 20 0 GHADHO CC(C)(C)OC(=O)C1CCC([NH2+]C2(c3ccccc3F)CCNCC2)CC1 ZINC001246430123 1037388820 /nfs/dbraw/zinc/38/88/20/1037388820.db2.gz PCHMKTLNCCJCCJ-UHFFFAOYSA-N 1 3 376.516 3.895 20 0 GHADHO CC(C)(C)OC(=O)COc1ccc(CCN[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246484831 1037429905 /nfs/dbraw/zinc/42/99/05/1037429905.db2.gz RPWVPNCACVFKRM-UYAOXDASSA-N 1 3 390.568 3.706 20 0 GHADHO Fc1ccc2c(c1)C1(CN2)CC[NH+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246607587 1037501000 /nfs/dbraw/zinc/50/10/00/1037501000.db2.gz RGPGTLWDMIGCQT-LEWJYISDSA-N 1 3 379.523 3.948 20 0 GHADHO COc1cc(C[C@H](C)N2CCCC[C@]3(CCCC[NH2+]C3)C2)cc(OC)c1OC ZINC001246610164 1037503885 /nfs/dbraw/zinc/50/38/85/1037503885.db2.gz PUQJZWPMWUROSJ-MBSDFSHPSA-N 1 3 390.568 3.889 20 0 GHADHO COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246618582 1037510346 /nfs/dbraw/zinc/51/03/46/1037510346.db2.gz HMKBNWDKJNCIEQ-XLIONFOSSA-N 1 3 382.935 3.895 20 0 GHADHO COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246618582 1037510352 /nfs/dbraw/zinc/51/03/52/1037510352.db2.gz HMKBNWDKJNCIEQ-XLIONFOSSA-N 1 3 382.935 3.895 20 0 GHADHO C[C@@H](Cc1ccccn1)[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246622306 1037513387 /nfs/dbraw/zinc/51/33/87/1037513387.db2.gz YPEWEMZDKZWXOP-REWPJTCUSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H](Cc1ccccn1)[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246622306 1037513405 /nfs/dbraw/zinc/51/34/05/1037513405.db2.gz YPEWEMZDKZWXOP-REWPJTCUSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H](Cc1ccccn1)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622306 1037513412 /nfs/dbraw/zinc/51/34/12/1037513412.db2.gz YPEWEMZDKZWXOP-REWPJTCUSA-N 1 3 379.548 3.816 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@H]1CCc3cccc(F)c3C1)CC2 ZINC001246632693 1037518008 /nfs/dbraw/zinc/51/80/08/1037518008.db2.gz ZCDNAUDVNWROGL-IBGZPJMESA-N 1 3 380.507 3.829 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@H]1CCc3cccc(F)c3C1)CC2 ZINC001246632693 1037518017 /nfs/dbraw/zinc/51/80/17/1037518017.db2.gz ZCDNAUDVNWROGL-IBGZPJMESA-N 1 3 380.507 3.829 20 0 GHADHO C[C@@H]1C[C@H]([NH+]2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)CCN1 ZINC001246657217 1037531410 /nfs/dbraw/zinc/53/14/10/1037531410.db2.gz GOIQOHXTOOLLSE-HMXCVIKNSA-N 1 3 395.591 3.564 20 0 GHADHO C[C@@H]1C[C@H](N2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)CC[NH2+]1 ZINC001246657217 1037531419 /nfs/dbraw/zinc/53/14/19/1037531419.db2.gz GOIQOHXTOOLLSE-HMXCVIKNSA-N 1 3 395.591 3.564 20 0 GHADHO COc1ccc2cc(CC[C@@H](C)[N@@H+]3CC[C@@]45CNC[C@@H](C[C@H]4C3)O5)ccc2c1 ZINC001246687131 1037549201 /nfs/dbraw/zinc/54/92/01/1037549201.db2.gz VIMDOQGMQYDLFN-JLEAQPBLSA-N 1 3 380.532 3.622 20 0 GHADHO COc1ccc2cc(CC[C@@H](C)[N@H+]3CC[C@@]45CNC[C@@H](C[C@H]4C3)O5)ccc2c1 ZINC001246687131 1037549213 /nfs/dbraw/zinc/54/92/13/1037549213.db2.gz VIMDOQGMQYDLFN-JLEAQPBLSA-N 1 3 380.532 3.622 20 0 GHADHO CC[C@@H]1CC(N2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246707537 1037561034 /nfs/dbraw/zinc/56/10/34/1037561034.db2.gz BHLYSBJAWULHOE-URLVKDPJSA-N 1 3 387.568 3.641 20 0 GHADHO Cc1ccc(CN2C[C@@H]3C[NH+]([C@@H]4CCN[C@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246710865 1037564831 /nfs/dbraw/zinc/56/48/31/1037564831.db2.gz URPJZCGGWJMGFG-VPBXCIAMSA-N 1 3 375.560 3.852 20 0 GHADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246716339 1037566337 /nfs/dbraw/zinc/56/63/37/1037566337.db2.gz CZRUPKLHBQQKOB-QYAKYFNYSA-N 1 3 395.572 3.711 20 0 GHADHO C[C@H]1C[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246716339 1037566357 /nfs/dbraw/zinc/56/63/57/1037566357.db2.gz CZRUPKLHBQQKOB-QYAKYFNYSA-N 1 3 395.572 3.711 20 0 GHADHO CC[C@@H]1[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727754 1037578173 /nfs/dbraw/zinc/57/81/73/1037578173.db2.gz WDYLTUNNVKCPDV-NVJIOZQYSA-N 1 3 375.601 3.799 20 0 GHADHO CC[C@@H]1[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727754 1037578195 /nfs/dbraw/zinc/57/81/95/1037578195.db2.gz WDYLTUNNVKCPDV-NVJIOZQYSA-N 1 3 375.601 3.799 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CCN2)cc1 ZINC001246805614 1037639934 /nfs/dbraw/zinc/63/99/34/1037639934.db2.gz KLULTRZVEOXQBC-VPBXCIAMSA-N 1 3 375.560 3.556 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CCN2)cc1 ZINC001246805614 1037639940 /nfs/dbraw/zinc/63/99/40/1037639940.db2.gz KLULTRZVEOXQBC-VPBXCIAMSA-N 1 3 375.560 3.556 20 0 GHADHO Fc1cc(C(F)(F)F)ccc1N1CCN([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246866358 1037683806 /nfs/dbraw/zinc/68/38/06/1037683806.db2.gz BSXNJUVNAOXMBG-INIZCTEOSA-N 1 3 385.449 3.889 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246917207 1037722904 /nfs/dbraw/zinc/72/29/04/1037722904.db2.gz WOJGVVAZDCMBTM-HSALFYBXSA-N 1 3 376.516 3.890 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)[C@@H]1CCNC(C)(C)C1 ZINC001246917207 1037722928 /nfs/dbraw/zinc/72/29/28/1037722928.db2.gz WOJGVVAZDCMBTM-HSALFYBXSA-N 1 3 376.516 3.890 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCNC(C)(C)C1 ZINC001246917207 1037722943 /nfs/dbraw/zinc/72/29/43/1037722943.db2.gz WOJGVVAZDCMBTM-HSALFYBXSA-N 1 3 376.516 3.890 20 0 GHADHO CC[C@@H]1C[C@H]([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936939 1037742793 /nfs/dbraw/zinc/74/27/93/1037742793.db2.gz KOLDCJVBUUVJIV-RTBURBONSA-N 1 3 381.358 3.961 20 0 GHADHO CC[C@@H]1C[C@H]([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CCO1 ZINC001246936939 1037742815 /nfs/dbraw/zinc/74/28/15/1037742815.db2.gz KOLDCJVBUUVJIV-RTBURBONSA-N 1 3 381.358 3.961 20 0 GHADHO COc1ccc(C[N@H+](C2CCNCC2)C2CC(C)(C)N(O)C(C)(C)C2)cc1 ZINC001246953184 1037758263 /nfs/dbraw/zinc/75/82/63/1037758263.db2.gz MLTMOBKOCRQKGI-UHFFFAOYSA-N 1 3 375.557 3.660 20 0 GHADHO COc1ccc(C[N@@H+](C2CCNCC2)C2CC(C)(C)N(O)C(C)(C)C2)cc1 ZINC001246953184 1037758289 /nfs/dbraw/zinc/75/82/89/1037758289.db2.gz MLTMOBKOCRQKGI-UHFFFAOYSA-N 1 3 375.557 3.660 20 0 GHADHO COc1ccc(CN(C2CC[NH2+]CC2)C2CC(C)(C)N(O)C(C)(C)C2)cc1 ZINC001246953184 1037758306 /nfs/dbraw/zinc/75/83/06/1037758306.db2.gz MLTMOBKOCRQKGI-UHFFFAOYSA-N 1 3 375.557 3.660 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246964709 1037788398 /nfs/dbraw/zinc/78/83/98/1037788398.db2.gz MSZCSRNOXREELN-FXAWDEMLSA-N 1 3 376.516 3.810 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)CC1 ZINC001246964709 1037788410 /nfs/dbraw/zinc/78/84/10/1037788410.db2.gz MSZCSRNOXREELN-FXAWDEMLSA-N 1 3 376.516 3.810 20 0 GHADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432693 1038212840 /nfs/dbraw/zinc/21/28/40/1038212840.db2.gz GNIUNMIOMCJBBP-HSZRJFAPSA-N 1 3 385.552 3.902 20 0 GHADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432693 1038212851 /nfs/dbraw/zinc/21/28/51/1038212851.db2.gz GNIUNMIOMCJBBP-HSZRJFAPSA-N 1 3 385.552 3.902 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C[C@H](O)c1ccccc1)CC2 ZINC001251985535 1038792652 /nfs/dbraw/zinc/79/26/52/1038792652.db2.gz JJIKBUGSILHSJL-FPOVZHCZSA-N 1 3 386.561 3.537 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001233209723 1038970725 /nfs/dbraw/zinc/97/07/25/1038970725.db2.gz RCKQISWFZRRGBI-XZOQPEGZSA-N 1 3 383.511 3.828 20 0 GHADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001233209723 1038970729 /nfs/dbraw/zinc/97/07/29/1038970729.db2.gz RCKQISWFZRRGBI-XZOQPEGZSA-N 1 3 383.511 3.828 20 0 GHADHO COC(=O)/C=C/c1ccc(C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)cc1 ZINC001233297984 1039088591 /nfs/dbraw/zinc/08/85/91/1039088591.db2.gz TWRPGBVRINXCCY-VOTSOKGWSA-N 1 3 394.515 3.954 20 0 GHADHO CSc1cccc(Cl)c1CN1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001233352283 1039167192 /nfs/dbraw/zinc/16/71/92/1039167192.db2.gz YDLRGCQFQIZOEN-IAGOWNOFSA-N 1 3 390.984 3.749 20 0 GHADHO CSc1cccc(Cl)c1CN1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001233352283 1039167200 /nfs/dbraw/zinc/16/72/00/1039167200.db2.gz YDLRGCQFQIZOEN-IAGOWNOFSA-N 1 3 390.984 3.749 20 0 GHADHO COc1cccc([C@H]2CCCN(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933169 1039272719 /nfs/dbraw/zinc/27/27/19/1039272719.db2.gz DYNRMCNVQRFMSZ-UPVQGACJSA-N 1 3 380.532 3.512 20 0 GHADHO COc1cccc([C@H]2CCCN(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933169 1039272733 /nfs/dbraw/zinc/27/27/33/1039272733.db2.gz DYNRMCNVQRFMSZ-UPVQGACJSA-N 1 3 380.532 3.512 20 0 GHADHO CCC(CC)(C[NH2+]C1CCC(C)(N2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001462372721 1070208914 /nfs/dbraw/zinc/20/89/14/1070208914.db2.gz PSUREUAQIBYOSR-UHFFFAOYSA-N 1 3 382.589 3.758 20 0 GHADHO OC1(C[NH+]2CCC3(CC2)OCc2ccccc23)CCN(Cc2ccccc2)CC1 ZINC001254038632 1039968996 /nfs/dbraw/zinc/96/89/96/1039968996.db2.gz LDUHNGQSCNKZLW-UHFFFAOYSA-N 1 3 392.543 3.535 20 0 GHADHO COc1ccccc1[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC1 ZINC001254054368 1039977554 /nfs/dbraw/zinc/97/75/54/1039977554.db2.gz AQYVUCKXRUUVTA-QHCPKHFHSA-N 1 3 380.532 3.763 20 0 GHADHO C[N@@H+]1CCC[C@@H](N(Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531739 1040304172 /nfs/dbraw/zinc/30/41/72/1040304172.db2.gz KWYXQXVPODXGLB-DNQXCXABSA-N 1 3 391.559 3.774 20 0 GHADHO C[N@H+]1CCC[C@@H](N(Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531739 1040304178 /nfs/dbraw/zinc/30/41/78/1040304178.db2.gz KWYXQXVPODXGLB-DNQXCXABSA-N 1 3 391.559 3.774 20 0 GHADHO FC(F)(F)c1ccc(-c2ncc(CN3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)s2)cc1 ZINC001235036899 1040529183 /nfs/dbraw/zinc/52/91/83/1040529183.db2.gz OXKNNYXCXMQWTP-RHSMWYFYSA-N 1 3 397.466 3.639 20 0 GHADHO Cc1cc(Br)ncc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235091583 1040579309 /nfs/dbraw/zinc/57/93/09/1040579309.db2.gz QYFVRCZNCHFKPG-UHFFFAOYSA-N 1 3 386.337 3.790 20 0 GHADHO FC(F)(F)Oc1ccc(CN2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC001235091465 1040580042 /nfs/dbraw/zinc/58/00/42/1040580042.db2.gz CHUOVQCVNPBLEM-UHFFFAOYSA-N 1 3 393.247 3.923 20 0 GHADHO COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@@]4(C3)CNCCC4(F)F)c2c1 ZINC001235093542 1040583036 /nfs/dbraw/zinc/58/30/36/1040583036.db2.gz LXOVVXZFXNOWIG-FQEVSTJZSA-N 1 3 376.447 3.678 20 0 GHADHO COc1ccc2c(OC)ccc(C[N@H+]3CC[C@@]4(C3)CNCCC4(F)F)c2c1 ZINC001235093542 1040583042 /nfs/dbraw/zinc/58/30/42/1040583042.db2.gz LXOVVXZFXNOWIG-FQEVSTJZSA-N 1 3 376.447 3.678 20 0 GHADHO COc1cc(Br)c(CN2CCCC[C@H]2C2CC[NH2+]CC2)cc1O ZINC001235151808 1040643369 /nfs/dbraw/zinc/64/33/69/1040643369.db2.gz BQBCWPJXTJBKQX-INIZCTEOSA-N 1 3 383.330 3.517 20 0 GHADHO Brc1cccc2c(CN3CCCC[C@@H]3C3CC[NH2+]CC3)[nH]nc21 ZINC001235159916 1040653606 /nfs/dbraw/zinc/65/36/06/1040653606.db2.gz YRSBZXAGRZILFQ-QGZVFWFLSA-N 1 3 377.330 3.680 20 0 GHADHO O=C1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1Cc1ccccc1 ZINC001255125250 1040818003 /nfs/dbraw/zinc/81/80/03/1040818003.db2.gz UQWPSNXBQXQCHC-YCAMKHIRSA-N 1 3 389.543 3.573 20 0 GHADHO Cc1nccnc1O[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150973 1040871118 /nfs/dbraw/zinc/87/11/18/1040871118.db2.gz QXJUBBGMBJUZPB-AFXVXQJMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1nccnc1O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150973 1040871123 /nfs/dbraw/zinc/87/11/23/1040871123.db2.gz QXJUBBGMBJUZPB-AFXVXQJMSA-N 1 3 392.547 3.824 20 0 GHADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001255231303 1040918981 /nfs/dbraw/zinc/91/89/81/1040918981.db2.gz LCDGIKXIZMYDDJ-AERCQKQUSA-N 1 3 399.579 3.953 20 0 GHADHO COc1c(Br)cc(C)cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430336 1040931221 /nfs/dbraw/zinc/93/12/21/1040931221.db2.gz WUDMGXORZFIFQP-HZPDHXFCSA-N 1 3 381.358 3.978 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432222 1040933302 /nfs/dbraw/zinc/93/33/02/1040933302.db2.gz RBLNRHFCPUJXJK-UONOGXRCSA-N 1 3 377.330 3.537 20 0 GHADHO COc1cccnc1O[C@@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255410198 1040999058 /nfs/dbraw/zinc/99/90/58/1040999058.db2.gz RIKDIINQEBCMIV-FCHUYYIVSA-N 1 3 395.547 3.988 20 0 GHADHO COc1cccnc1O[C@@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255410198 1040999060 /nfs/dbraw/zinc/99/90/60/1040999060.db2.gz RIKDIINQEBCMIV-FCHUYYIVSA-N 1 3 395.547 3.988 20 0 GHADHO O=C(C1=CC2(CCN(CC[C@H]3CCCC[NH2+]3)CC2)c2ccccc21)N1CCCC1 ZINC001235605897 1041020962 /nfs/dbraw/zinc/02/09/62/1041020962.db2.gz BTQHIHORTUUIQI-HXUWFJFHSA-N 1 3 393.575 3.572 20 0 GHADHO c1cc(-c2ccc3c(C4CN(Cc5cc6c(s5)CC[NH2+]C6)C4)ncn3c2)co1 ZINC001235657356 1041105858 /nfs/dbraw/zinc/10/58/58/1041105858.db2.gz LAIXFYQPMVFVAH-UHFFFAOYSA-N 1 3 390.512 3.901 20 0 GHADHO Nc1ccc2c(c1)[nH]nc2CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001235694251 1041169413 /nfs/dbraw/zinc/16/94/13/1041169413.db2.gz PNBOVBLVVOVYPB-UHFFFAOYSA-N 1 3 375.520 3.633 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001255939331 1041428371 /nfs/dbraw/zinc/42/83/71/1041428371.db2.gz BSRFTDWXVGLHEV-MTQWCTHYSA-N 1 3 381.605 3.980 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001255943811 1041430796 /nfs/dbraw/zinc/43/07/96/1041430796.db2.gz PYVRKHGNCZLOKZ-CNNODRBYSA-N 1 3 397.604 3.503 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N1C[C@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001255958722 1041436759 /nfs/dbraw/zinc/43/67/59/1041436759.db2.gz FFGRJXWYYNAZGG-OKZBNKHCSA-N 1 3 385.568 3.682 20 0 GHADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001236097486 1041532360 /nfs/dbraw/zinc/53/23/60/1041532360.db2.gz KLKXQGMSKTYDIV-TZIWHRDSSA-N 1 3 384.545 3.705 20 0 GHADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001236097486 1041532389 /nfs/dbraw/zinc/53/23/89/1041532389.db2.gz KLKXQGMSKTYDIV-TZIWHRDSSA-N 1 3 384.545 3.705 20 0 GHADHO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001236097479 1041532821 /nfs/dbraw/zinc/53/28/21/1041532821.db2.gz KLKXQGMSKTYDIV-FPOVZHCZSA-N 1 3 384.545 3.705 20 0 GHADHO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001236097479 1041532833 /nfs/dbraw/zinc/53/28/33/1041532833.db2.gz KLKXQGMSKTYDIV-FPOVZHCZSA-N 1 3 384.545 3.705 20 0 GHADHO FC(F)(F)c1cccc(CN2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)c1 ZINC001236143366 1041567771 /nfs/dbraw/zinc/56/77/71/1041567771.db2.gz FTYVBUXXSYUYNL-UHFFFAOYSA-N 1 3 381.486 3.603 20 0 GHADHO CCCN(Cc1ccc(-n2ccnc2)c(Br)c1)C1CC[NH2+]CC1 ZINC001236184985 1041605876 /nfs/dbraw/zinc/60/58/76/1041605876.db2.gz QDFPBHWFQBFCMO-UHFFFAOYSA-N 1 3 377.330 3.599 20 0 GHADHO CCC[N@H+](Cc1ccc(-n2ccnc2)c(Br)c1)C1CCNCC1 ZINC001236184985 1041605880 /nfs/dbraw/zinc/60/58/80/1041605880.db2.gz QDFPBHWFQBFCMO-UHFFFAOYSA-N 1 3 377.330 3.599 20 0 GHADHO CCC[N@@H+](Cc1ccc(-n2ccnc2)c(Br)c1)C1CCNCC1 ZINC001236184985 1041605894 /nfs/dbraw/zinc/60/58/94/1041605894.db2.gz QDFPBHWFQBFCMO-UHFFFAOYSA-N 1 3 377.330 3.599 20 0 GHADHO CN(Cc1cccc(Br)c1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223818 1041630246 /nfs/dbraw/zinc/63/02/46/1041630246.db2.gz PPJOFSGIUHWCIR-HAQNSBGRSA-N 1 3 376.136 3.913 20 0 GHADHO Cc1cc(Br)c(OC(C)C)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321386 1041670600 /nfs/dbraw/zinc/67/06/00/1041670600.db2.gz LXOBRXJLGFRABT-IYBDPMFKSA-N 1 3 381.358 3.976 20 0 GHADHO CN(Cc1ccccc1)C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001256294118 1041687144 /nfs/dbraw/zinc/68/71/44/1041687144.db2.gz HGFXTUWKDRLQFJ-UHFFFAOYSA-N 1 3 387.568 3.982 20 0 GHADHO COc1ncc(CN(Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1Cl ZINC001236384752 1041692349 /nfs/dbraw/zinc/69/23/49/1041692349.db2.gz AWIVHWDWDXOGGW-UHFFFAOYSA-N 1 3 377.891 3.885 20 0 GHADHO COc1ccccc1CN(Cc1nc2ccc(F)cc2[nH]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711533 1041848079 /nfs/dbraw/zinc/84/80/79/1041848079.db2.gz SEGMAUIKQVDPFT-IYARVYRRSA-N 1 3 382.483 3.983 20 0 GHADHO CCOc1cncc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001236839037 1041924275 /nfs/dbraw/zinc/92/42/75/1041924275.db2.gz PYVPXRFSIQAMNU-QFIPXVFZSA-N 1 3 395.547 3.736 20 0 GHADHO CCOc1cncc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001236839037 1041924277 /nfs/dbraw/zinc/92/42/77/1041924277.db2.gz PYVPXRFSIQAMNU-QFIPXVFZSA-N 1 3 395.547 3.736 20 0 GHADHO CN(Cc1ccc(F)cc1)C1CC[NH+](Cc2cccc(-n3cncn3)c2)CC1 ZINC001236890779 1041942010 /nfs/dbraw/zinc/94/20/10/1041942010.db2.gz UHKNHGSSSIMOQD-UHFFFAOYSA-N 1 3 379.483 3.503 20 0 GHADHO CCOC(=O)c1ccc(CCCN2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237274932 1042118545 /nfs/dbraw/zinc/11/85/45/1042118545.db2.gz HWADJUPAKOHFIG-UHFFFAOYSA-N 1 3 392.543 3.933 20 0 GHADHO COC(=O)Cc1cccc(C[NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)c1 ZINC001237480384 1042226871 /nfs/dbraw/zinc/22/68/71/1042226871.db2.gz KNACGIWDXYLCFZ-QFIPXVFZSA-N 1 3 396.531 3.872 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cccc3c1OCC3)CC2 ZINC001237743422 1042348891 /nfs/dbraw/zinc/34/88/91/1042348891.db2.gz SNEMHYDMWUFBSL-HXUWFJFHSA-N 1 3 398.572 3.939 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cccc3c1OCC3)CC2 ZINC001237743422 1042348896 /nfs/dbraw/zinc/34/88/96/1042348896.db2.gz SNEMHYDMWUFBSL-HXUWFJFHSA-N 1 3 398.572 3.939 20 0 GHADHO FC(F)(F)Oc1ccc(CNC[C@H]2C[NH+]3CCC2CC3)cc1Br ZINC001462632047 1070430010 /nfs/dbraw/zinc/43/00/10/1070430010.db2.gz APZBXCUBFGIMON-ZDUSSCGKSA-N 1 3 393.247 3.779 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@H]3CCN(Cc4ccccc4)[C@H](C)C3)C2)C1 ZINC001256541796 1043493010 /nfs/dbraw/zinc/49/30/10/1043493010.db2.gz JCFDYNSDDSBWEX-PZUNEJSGSA-N 1 3 399.623 3.862 20 0 GHADHO CC(C)N1CCOC[C@]2(CCC[N@H+]([C@H]3CCN(Cc4ccccc4)[C@H](C)C3)C2)C1 ZINC001256541796 1043493025 /nfs/dbraw/zinc/49/30/25/1043493025.db2.gz JCFDYNSDDSBWEX-PZUNEJSGSA-N 1 3 399.623 3.862 20 0 GHADHO C[C@@H]1C[C@H](n2nc(C(F)(F)F)c3c2CCNC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552937 1043519379 /nfs/dbraw/zinc/51/93/79/1043519379.db2.gz DIFTZPMBSVGZLQ-GDBMZVCRSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@@H]1C[C@H](n2nc(C(F)(F)F)c3c2CCNC3)CC[N@H+]1Cc1ccccc1 ZINC001256552937 1043519392 /nfs/dbraw/zinc/51/93/92/1043519392.db2.gz DIFTZPMBSVGZLQ-GDBMZVCRSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@@H]1C[C@@H]([N@@H+]2CCN3CCc4ccccc4[C@H]3C2)CCN1Cc1ccccc1 ZINC001256560667 1043534264 /nfs/dbraw/zinc/53/42/64/1043534264.db2.gz SBYBTJHSUJXKRB-JHMXWDHMSA-N 1 3 375.560 3.955 20 0 GHADHO C[C@@H]1C[C@@H]([N@H+]2CCN3CCc4ccccc4[C@H]3C2)CCN1Cc1ccccc1 ZINC001256560667 1043534268 /nfs/dbraw/zinc/53/42/68/1043534268.db2.gz SBYBTJHSUJXKRB-JHMXWDHMSA-N 1 3 375.560 3.955 20 0 GHADHO CC(C)(C)OC(=O)NC1([C@@H]2CN(C3CC[NH+](C(C)(C)C)CC3)C[C@H]2CF)CC1 ZINC001256569961 1043542041 /nfs/dbraw/zinc/54/20/41/1043542041.db2.gz UGLASSBJCMSQAZ-SJLPKXTDSA-N 1 3 397.579 3.824 20 0 GHADHO CC[C@@H]1N(C2CC[NH+](C(C)(C)C)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001256570414 1043543203 /nfs/dbraw/zinc/54/32/03/1043543203.db2.gz IYEMVZGIHOJAOT-REWPJTCUSA-N 1 3 375.601 3.895 20 0 GHADHO COc1ccc(CC2([NH3+])CCN([C@@H]3CCc4c(cccc4OC)C3)CC2)cc1 ZINC001256643009 1043589243 /nfs/dbraw/zinc/58/92/43/1043589243.db2.gz SXCNFNRSUNJSBR-HXUWFJFHSA-N 1 3 380.532 3.597 20 0 GHADHO Brc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256678591 1043617058 /nfs/dbraw/zinc/61/70/58/1043617058.db2.gz YLEOGWATUGVXOD-FAFZWHIHSA-N 1 3 379.342 3.669 20 0 GHADHO Brc1ccc2c(c1)C[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256687253 1043622556 /nfs/dbraw/zinc/62/25/56/1043622556.db2.gz QVCIXDLHADXRON-IOJLRTSASA-N 1 3 393.369 3.539 20 0 GHADHO c1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C2CCC(N4CCOCC4)CC2)C3)cc1 ZINC001256696912 1043628560 /nfs/dbraw/zinc/62/85/60/1043628560.db2.gz QAIVVAOKELEBHR-STEQJIOHSA-N 1 3 397.607 3.618 20 0 GHADHO c1ccc(CN2CC[C@]3(C2)CCC[N@H+](C2CCC(N4CCOCC4)CC2)C3)cc1 ZINC001256696912 1043628566 /nfs/dbraw/zinc/62/85/66/1043628566.db2.gz QAIVVAOKELEBHR-STEQJIOHSA-N 1 3 397.607 3.618 20 0 GHADHO COc1cccc(CC2([NH3+])CCN([C@@H]3CCO[C@H](c4ccccc4)C3)CC2)c1 ZINC001256801166 1043659316 /nfs/dbraw/zinc/65/93/16/1043659316.db2.gz ROKXTMSGKLCVOH-GGAORHGYSA-N 1 3 380.532 3.951 20 0 GHADHO O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CCN(CC2CCCCC2)CC1 ZINC001292282702 1043663360 /nfs/dbraw/zinc/66/33/60/1043663360.db2.gz OANDMRMDGVQMCC-HSZRJFAPSA-N 1 3 383.580 3.591 20 0 GHADHO FC(F)(F)c1ccccc1N1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256864153 1043708979 /nfs/dbraw/zinc/70/89/79/1043708979.db2.gz DPYDCEUZXQNHMB-UHFFFAOYSA-N 1 3 390.453 3.891 20 0 GHADHO COc1ccc(CCN2CCC([NH2+][C@@H]3CCCN(C4CCCC4)C3)CC2)cc1 ZINC001256910185 1043737703 /nfs/dbraw/zinc/73/77/03/1043737703.db2.gz YGIJGGWBZHAHRE-JOCHJYFZSA-N 1 3 385.596 3.699 20 0 GHADHO CC[C@H]1C[C@@H](N2CCN(c3cc[nH+]c(C)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257146140 1043895574 /nfs/dbraw/zinc/89/55/74/1043895574.db2.gz YMAZLFWAHAOGSJ-ICSRJNTNSA-N 1 3 388.556 3.690 20 0 GHADHO CC(C)N1CCC([NH2+]Cc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001257201868 1043933387 /nfs/dbraw/zinc/93/33/87/1043933387.db2.gz KSBRMPNHXVARQW-UHFFFAOYSA-N 1 3 387.568 3.942 20 0 GHADHO CC(C)N1CCC([N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001257223125 1043941508 /nfs/dbraw/zinc/94/15/08/1043941508.db2.gz KHGCZFQDNMBOMM-UHFFFAOYSA-N 1 3 375.557 3.886 20 0 GHADHO CC(C)N1CCC([N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001257223125 1043941511 /nfs/dbraw/zinc/94/15/11/1043941511.db2.gz KHGCZFQDNMBOMM-UHFFFAOYSA-N 1 3 375.557 3.886 20 0 GHADHO CCCN1C[C@@H]2C[NH+](C3CCC(C4CCC5(CC4)OCCO5)CC3)C[C@H]2C1 ZINC001257497617 1044024038 /nfs/dbraw/zinc/02/40/38/1044024038.db2.gz KLGCSCCLMDFNAK-MOBXORJESA-N 1 3 376.585 3.752 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]2C1 ZINC001257813769 1044194742 /nfs/dbraw/zinc/19/47/42/1044194742.db2.gz BZUANRFXCQCUBN-VLVHOKLOSA-N 1 3 391.600 3.830 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]2C1 ZINC001257813769 1044194749 /nfs/dbraw/zinc/19/47/49/1044194749.db2.gz BZUANRFXCQCUBN-VLVHOKLOSA-N 1 3 391.600 3.830 20 0 GHADHO CC1CCC(N2CCN(C(=O)[C@H]3CCC[N@H+](CCc4ccccc4)C3)CC2)CC1 ZINC001293495885 1044214125 /nfs/dbraw/zinc/21/41/25/1044214125.db2.gz MTICXOWKIPOODV-RZMWZJFBSA-N 1 3 397.607 3.664 20 0 GHADHO CC1CCC(N2CCN(C(=O)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)CC1 ZINC001293495885 1044214131 /nfs/dbraw/zinc/21/41/31/1044214131.db2.gz MTICXOWKIPOODV-RZMWZJFBSA-N 1 3 397.607 3.664 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001258001494 1044328676 /nfs/dbraw/zinc/32/86/76/1044328676.db2.gz TVWJSHHHMLVMAG-QKNQBKEWSA-N 1 3 393.616 3.980 20 0 GHADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258054119 1044373150 /nfs/dbraw/zinc/37/31/50/1044373150.db2.gz ZFQYHMZYNWWRML-VWPQPMDRSA-N 1 3 387.612 3.852 20 0 GHADHO CCCN1CCC([NH2+]Cc2ccc(CC(=O)OCc3ccccc3)cc2)CC1 ZINC001258768745 1044754905 /nfs/dbraw/zinc/75/49/05/1044754905.db2.gz UYDIKFFSMIKBBP-UHFFFAOYSA-N 1 3 380.532 3.937 20 0 GHADHO COc1cc(C[C@@H](C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc(OC)c1OC ZINC001258860290 1044799019 /nfs/dbraw/zinc/79/90/19/1044799019.db2.gz NTENUMQQAZWEDM-OAHLLOKOSA-N 1 3 378.557 3.884 20 0 GHADHO COc1cc(C[C@H](C)N2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC001258875058 1044821110 /nfs/dbraw/zinc/82/11/10/1044821110.db2.gz XELHBCTYCWUSDS-IHPCNDPISA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@H](C)N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC001258875058 1044821144 /nfs/dbraw/zinc/82/11/44/1044821144.db2.gz XELHBCTYCWUSDS-IHPCNDPISA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@H](C)[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)cc(OC)c1OC ZINC001258875058 1044821168 /nfs/dbraw/zinc/82/11/68/1044821168.db2.gz XELHBCTYCWUSDS-IHPCNDPISA-N 1 3 390.568 3.982 20 0 GHADHO COc1cc(C[C@H](C)[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)cc(OC)c1OC ZINC001258875058 1044821189 /nfs/dbraw/zinc/82/11/89/1044821189.db2.gz XELHBCTYCWUSDS-IHPCNDPISA-N 1 3 390.568 3.982 20 0 GHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001298378659 1045790909 /nfs/dbraw/zinc/79/09/09/1045790909.db2.gz MSZBSPXHKCIZAH-XZOQPEGZSA-N 1 3 385.596 3.520 20 0 GHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001298378659 1045790916 /nfs/dbraw/zinc/79/09/16/1045790916.db2.gz MSZBSPXHKCIZAH-XZOQPEGZSA-N 1 3 385.596 3.520 20 0 GHADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)[C@H](n2cncn2)C1 ZINC001261240221 1045936064 /nfs/dbraw/zinc/93/60/64/1045936064.db2.gz PTTYJFBFFXVZLW-YPIGPJMWSA-N 1 3 381.568 3.900 20 0 GHADHO C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N1CCCCCC1 ZINC001301486011 1046563136 /nfs/dbraw/zinc/56/31/36/1046563136.db2.gz IHCWJBZEPPOZRM-IFMALSPDSA-N 1 3 383.580 3.669 20 0 GHADHO C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N1CCCCCC1 ZINC001301486011 1046563146 /nfs/dbraw/zinc/56/31/46/1046563146.db2.gz IHCWJBZEPPOZRM-IFMALSPDSA-N 1 3 383.580 3.669 20 0 GHADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3cc(Cl)c(F)c(Cl)c3)C[C@H]2CC1 ZINC001279647098 1047888599 /nfs/dbraw/zinc/88/85/99/1047888599.db2.gz DDNLWJYWJHURCK-IYBDPMFKSA-N 1 3 388.358 3.838 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)c(F)c(Cl)c3)C[C@H]2CC1 ZINC001279647098 1047888613 /nfs/dbraw/zinc/88/86/13/1047888613.db2.gz DDNLWJYWJHURCK-IYBDPMFKSA-N 1 3 388.358 3.838 20 0 GHADHO C[NH+](C)C1CCN(C(=O)C23CC(NCc4cccc(Cl)c4Cl)(C2)C3)CC1 ZINC001279819646 1047960152 /nfs/dbraw/zinc/96/01/52/1047960152.db2.gz JGAZIUDPKAMQGY-UHFFFAOYSA-N 1 3 396.362 3.558 20 0 GHADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cc(C)c(Cl)cc3F)(C1)CCC2 ZINC001280116305 1048088990 /nfs/dbraw/zinc/08/89/90/1048088990.db2.gz XPGUBXQINTXOKN-UXHICEINSA-N 1 3 384.923 3.933 20 0 GHADHO O=C(Nc1ccccn1)[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001308036835 1049786724 /nfs/dbraw/zinc/78/67/24/1049786724.db2.gz UXNLINNPXXLJAY-QFIPXVFZSA-N 1 3 392.547 3.918 20 0 GHADHO CC(C)(C)OC(=O)NC[C@]12CN(CCC[NH+]3CCCCC3)C[C@@H]1CCCC2 ZINC001308172134 1049900123 /nfs/dbraw/zinc/90/01/23/1049900123.db2.gz CMZHTOWCPJVOSY-SIKLNZKXSA-N 1 3 379.589 3.879 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cc(OC)ccc2OC)CC1 ZINC001308228449 1049919944 /nfs/dbraw/zinc/91/99/44/1049919944.db2.gz QWAMHUQFVFDYMX-UHFFFAOYSA-N 1 3 397.563 3.568 20 0 GHADHO C[C@@H]1C[NH+](CCCCNCc2c(F)cc(Br)cc2F)C[C@@H](C)O1 ZINC001308282022 1049936389 /nfs/dbraw/zinc/93/63/89/1049936389.db2.gz ZJWWWKPSKIYEBH-CHWSQXEVSA-N 1 3 391.300 3.706 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001308367108 1049959730 /nfs/dbraw/zinc/95/97/30/1049959730.db2.gz RIMWTZVZFSPOQV-KRWDZBQOSA-N 1 3 382.401 3.701 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001308367108 1049959733 /nfs/dbraw/zinc/95/97/33/1049959733.db2.gz RIMWTZVZFSPOQV-KRWDZBQOSA-N 1 3 382.401 3.701 20 0 GHADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Br)c(Br)c3)[C@H]2C1 ZINC001308555764 1050007809 /nfs/dbraw/zinc/00/78/09/1050007809.db2.gz XPVLRXXJWMMYBA-HUBLWGQQSA-N 1 3 388.147 3.641 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc4ccc(F)c(F)c4n3)CC2)CC1 ZINC001308822408 1050107727 /nfs/dbraw/zinc/10/77/27/1050107727.db2.gz CSZYATQYAPWVNG-UHFFFAOYSA-N 1 3 388.506 3.505 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3ccc4ccc(F)c(F)c4n3)CC2)CC1 ZINC001308822408 1050107736 /nfs/dbraw/zinc/10/77/36/1050107736.db2.gz CSZYATQYAPWVNG-UHFFFAOYSA-N 1 3 388.506 3.505 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3ccc4ccc(F)c(F)c4n3)CC2)CC1 ZINC001308822408 1050107746 /nfs/dbraw/zinc/10/77/46/1050107746.db2.gz CSZYATQYAPWVNG-UHFFFAOYSA-N 1 3 388.506 3.505 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001311400783 1052100735 /nfs/dbraw/zinc/10/07/35/1052100735.db2.gz SXUHZAKZJRZSTA-GEOZSUPMSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001311400783 1052100745 /nfs/dbraw/zinc/10/07/45/1052100745.db2.gz SXUHZAKZJRZSTA-GEOZSUPMSA-N 1 3 392.632 3.649 20 0 GHADHO CN(CCC(F)(F)F)[C@H](CNc1nccnc1C[NH3+])c1ccc(Cl)cc1 ZINC001337157507 1052412147 /nfs/dbraw/zinc/41/21/47/1052412147.db2.gz KFRUDQCNVAKOHI-OAHLLOKOSA-N 1 3 387.837 3.626 20 0 GHADHO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@H](c1ccccc1)N(C)C ZINC001312662707 1052829929 /nfs/dbraw/zinc/82/99/29/1052829929.db2.gz XMKRTSKZNHMFBJ-YUXAGFNASA-N 1 3 386.584 3.774 20 0 GHADHO C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H](c1ccccc1)N(C)C ZINC001312662707 1052829932 /nfs/dbraw/zinc/82/99/32/1052829932.db2.gz XMKRTSKZNHMFBJ-YUXAGFNASA-N 1 3 386.584 3.774 20 0 GHADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001312815597 1052879097 /nfs/dbraw/zinc/87/90/97/1052879097.db2.gz MDJWFBJVRYJASU-UNMCSNQZSA-N 1 3 386.584 3.557 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)N(C)C)cc1 ZINC001312818353 1052881667 /nfs/dbraw/zinc/88/16/67/1052881667.db2.gz LYZRFPMJUNIVMD-OAQYLSRUSA-N 1 3 388.600 3.519 20 0 GHADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001313023657 1052936535 /nfs/dbraw/zinc/93/65/35/1052936535.db2.gz PLNBUCGVQVFLRT-XZOQPEGZSA-N 1 3 398.595 3.747 20 0 GHADHO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001313023657 1052936537 /nfs/dbraw/zinc/93/65/37/1052936537.db2.gz PLNBUCGVQVFLRT-XZOQPEGZSA-N 1 3 398.595 3.747 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4cc(OC)ccc4c3)CC2)CC1 ZINC000848063623 1056525843 /nfs/dbraw/zinc/52/58/43/1056525843.db2.gz PBOOZYXAEZECQY-UHFFFAOYSA-N 1 3 395.547 3.983 20 0 GHADHO Cn1c2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cc2oc1=O ZINC001325022880 1057264601 /nfs/dbraw/zinc/26/46/01/1057264601.db2.gz JFIFYHDTMVQDOA-SEJPIABJSA-N 1 3 391.515 3.807 20 0 GHADHO CC(C)Oc1cccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849059478 1057571008 /nfs/dbraw/zinc/57/10/08/1057571008.db2.gz WOQJKONZOPOOLX-UHFFFAOYSA-N 1 3 380.536 3.752 20 0 GHADHO [NH2+]=C(NC[C@H]1CC[C@H](c2ccccc2)O1)NC1CCN(Cc2ccccc2)CC1 ZINC000849081175 1057584943 /nfs/dbraw/zinc/58/49/43/1057584943.db2.gz KWQSXNVWOJTZLA-DHIUTWEWSA-N 1 3 392.547 3.685 20 0 GHADHO CCO[C@@H](CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000849091397 1057590937 /nfs/dbraw/zinc/59/09/37/1057590937.db2.gz CYPCAZGTBDVLEQ-QFIPXVFZSA-N 1 3 386.584 3.750 20 0 GHADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849091432 1057591335 /nfs/dbraw/zinc/59/13/35/1057591335.db2.gz FXOHRELJEWURDP-TZIWHRDSSA-N 1 3 386.584 3.606 20 0 GHADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c2cccs2)CC1 ZINC001338886093 1058857485 /nfs/dbraw/zinc/85/74/85/1058857485.db2.gz GUGRRHFEVTYFFW-GUDVDZBRSA-N 1 3 392.613 3.693 20 0 GHADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001455083662 1061996834 /nfs/dbraw/zinc/99/68/34/1061996834.db2.gz WXWDMAAUHIYJGK-XMMPIXPASA-N 1 3 393.575 3.917 20 0 GHADHO CCC[C@@]1(C)CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001459569857 1064131251 /nfs/dbraw/zinc/13/12/51/1064131251.db2.gz IPISTBZAPRZOQD-DEOSSOPVSA-N 1 3 385.596 3.978 20 0 GHADHO CC(C)(C)OC(=O)N(CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC001459783913 1064215592 /nfs/dbraw/zinc/21/55/92/1064215592.db2.gz BWJLQZGDKNJYAV-FXAWDEMLSA-N 1 3 377.573 3.725 20 0 GHADHO CC(C)(C)OC(=O)N(CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC001459783913 1064215597 /nfs/dbraw/zinc/21/55/97/1064215597.db2.gz BWJLQZGDKNJYAV-FXAWDEMLSA-N 1 3 377.573 3.725 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)Cc3ccccc3Cl)CC2)CC1 ZINC000847346473 1065102575 /nfs/dbraw/zinc/10/25/75/1065102575.db2.gz RHWYLCLZRICSPS-QGZVFWFLSA-N 1 3 391.987 3.584 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)CC(C)C ZINC001467951154 1067542540 /nfs/dbraw/zinc/54/25/40/1067542540.db2.gz VMTCZLXOTMSQNJ-BAGYTPMASA-N 1 3 388.600 3.563 20 0 GHADHO CC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001468004878 1067560602 /nfs/dbraw/zinc/56/06/02/1067560602.db2.gz QRYBRLPJAWBFBH-JOCHJYFZSA-N 1 3 398.595 3.701 20 0 GHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC001468760036 1067865290 /nfs/dbraw/zinc/86/52/90/1067865290.db2.gz KQQGDXAUOOGFKI-SFHVURJKSA-N 1 3 394.629 3.722 20 0 GHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC001468760036 1067865299 /nfs/dbraw/zinc/86/52/99/1067865299.db2.gz KQQGDXAUOOGFKI-SFHVURJKSA-N 1 3 394.629 3.722 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001360031878 1068323347 /nfs/dbraw/zinc/32/33/47/1068323347.db2.gz GSUYIHDCRGLUPD-NRFANRHFSA-N 1 3 399.966 3.752 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001360031878 1068323364 /nfs/dbraw/zinc/32/33/64/1068323364.db2.gz GSUYIHDCRGLUPD-NRFANRHFSA-N 1 3 399.966 3.752 20 0 GHADHO C[C@@H](CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC001478418247 1078859428 /nfs/dbraw/zinc/85/94/28/1078859428.db2.gz LZBVUTHDICBOCM-SFHVURJKSA-N 1 3 394.991 3.678 20 0 GHADHO CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CC[C@H]1CCCN1C)CC2 ZINC001460928999 1069280188 /nfs/dbraw/zinc/28/01/88/1069280188.db2.gz BEKRTDMGUVHQQG-RTBURBONSA-N 1 3 379.589 3.828 20 0 GHADHO CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001460928999 1069280198 /nfs/dbraw/zinc/28/01/98/1069280198.db2.gz BEKRTDMGUVHQQG-RTBURBONSA-N 1 3 379.589 3.828 20 0 GHADHO CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(CC[C@H]1CCC[N@H+]1C)CC2 ZINC001460928999 1069280204 /nfs/dbraw/zinc/28/02/04/1069280204.db2.gz BEKRTDMGUVHQQG-RTBURBONSA-N 1 3 379.589 3.828 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618808 1078937484 /nfs/dbraw/zinc/93/74/84/1078937484.db2.gz UOFDVHFXZUFLJL-XLIONFOSSA-N 1 3 394.991 3.754 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618808 1078937486 /nfs/dbraw/zinc/93/74/86/1078937486.db2.gz UOFDVHFXZUFLJL-XLIONFOSSA-N 1 3 394.991 3.754 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001470777204 1072733875 /nfs/dbraw/zinc/73/38/75/1072733875.db2.gz KFEUZPZTVWGKLT-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)C2)cc1 ZINC001471314408 1073012851 /nfs/dbraw/zinc/01/28/51/1073012851.db2.gz JWEYFAKESWCBMH-RPWUZVMVSA-N 1 3 391.559 3.565 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)[C@@H]1C ZINC001473390172 1073945900 /nfs/dbraw/zinc/94/59/00/1073945900.db2.gz XVRMSWVYAJECOD-WTIAFYNJSA-N 1 3 380.532 3.786 20 0 GHADHO COC(=O)[C@@H]1CCN(C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)[C@@H]1C ZINC001473390172 1073945902 /nfs/dbraw/zinc/94/59/02/1073945902.db2.gz XVRMSWVYAJECOD-WTIAFYNJSA-N 1 3 380.532 3.786 20 0 GHADHO COC(=O)c1cnc([C@@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)s1 ZINC001473844780 1074171394 /nfs/dbraw/zinc/17/13/94/1074171394.db2.gz AUOJHDIASZVFSD-LJQANCHMSA-N 1 3 399.560 3.905 20 0 GHADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1Oc1cccnc1 ZINC001474068066 1074253308 /nfs/dbraw/zinc/25/33/08/1074253308.db2.gz OBZPSFITNQQCOB-VXKWHMMOSA-N 1 3 381.520 3.650 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cn3c(cccc3C)n2)CC1 ZINC001474199851 1074291307 /nfs/dbraw/zinc/29/13/07/1074291307.db2.gz BAXBWJOJWJPNRT-UHFFFAOYSA-N 1 3 391.563 3.507 20 0 GHADHO C[C@H](CC[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1)N1CCCCC1 ZINC001474436827 1074406194 /nfs/dbraw/zinc/40/61/94/1074406194.db2.gz PHEQSOSOFDPRCX-HXUWFJFHSA-N 1 3 387.568 3.889 20 0 GHADHO Cn1cc(CC[NH2+]C2CCC(C)(N3CCOCC3)CC2)c2ccc(Cl)cc21 ZINC001474445389 1074410074 /nfs/dbraw/zinc/41/00/74/1074410074.db2.gz CULATUDKAWBJNZ-UHFFFAOYSA-N 1 3 389.971 3.997 20 0 GHADHO Cc1ccc([C@H](C)CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001474515690 1074443427 /nfs/dbraw/zinc/44/34/27/1074443427.db2.gz YKBJYVQXCMLULH-RCZVLFRGSA-N 1 3 377.576 3.991 20 0 GHADHO Cc1ccc([C@H](C)CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001474515690 1074443431 /nfs/dbraw/zinc/44/34/31/1074443431.db2.gz YKBJYVQXCMLULH-RCZVLFRGSA-N 1 3 377.576 3.991 20 0 GHADHO Cn1ccc2c1cc[nH+]c2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906097 721693609 /nfs/dbraw/zinc/69/36/09/721693609.db2.gz LEGFFKIJXAESOB-NRFANRHFSA-N 1 3 397.473 3.706 20 0 GHADHO Clc1cccc([C@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655688812 837610401 /nfs/dbraw/zinc/61/04/01/837610401.db2.gz JPLJKNYNDUBITE-VXKWHMMOSA-N 1 3 391.987 3.710 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3Cc3ccccc3C)CC2)CC1 ZINC000654793080 834571188 /nfs/dbraw/zinc/57/11/88/834571188.db2.gz OQZKGNNEQVWGJA-DEOSSOPVSA-N 1 3 397.607 3.725 20 0 GHADHO CCOc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1OCC(C)C ZINC000650721917 834698495 /nfs/dbraw/zinc/69/84/95/834698495.db2.gz FUPUUPXVNWEDJA-SJBKTWHCSA-N 1 3 390.568 3.981 20 0 GHADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734889 834702195 /nfs/dbraw/zinc/70/21/95/834702195.db2.gz WSMAJZAXQOWXKZ-UHFFFAOYSA-N 1 3 396.579 3.625 20 0 GHADHO CCN(Cc1ccc(-n2cncn2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818816 834705921 /nfs/dbraw/zinc/70/59/21/834705921.db2.gz QUAQVATWTDXUCS-QFIPXVFZSA-N 1 3 375.520 3.611 20 0 GHADHO CCN(Cc1ccc(-n2cncn2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818816 834705930 /nfs/dbraw/zinc/70/59/30/834705930.db2.gz QUAQVATWTDXUCS-QFIPXVFZSA-N 1 3 375.520 3.611 20 0 GHADHO COC[C@]1(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)OCCc2ccccc21 ZINC000685655555 835269435 /nfs/dbraw/zinc/26/94/35/835269435.db2.gz JXYIFBWGLQDARM-OPXMRZJTSA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)OCCc2ccccc21 ZINC000685655555 835269443 /nfs/dbraw/zinc/26/94/43/835269443.db2.gz JXYIFBWGLQDARM-OPXMRZJTSA-N 1 3 394.559 3.601 20 0 GHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000583999602 835381161 /nfs/dbraw/zinc/38/11/61/835381161.db2.gz QFMDTHAVCAGCOQ-QGZVFWFLSA-N 1 3 386.499 3.830 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135321 835444841 /nfs/dbraw/zinc/44/48/41/835444841.db2.gz DHNZKCJQCWJQMQ-GCJKJVERSA-N 1 3 390.531 3.505 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135321 835444848 /nfs/dbraw/zinc/44/48/48/835444848.db2.gz DHNZKCJQCWJQMQ-GCJKJVERSA-N 1 3 390.531 3.505 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCCS2 ZINC000658142575 835453802 /nfs/dbraw/zinc/45/38/02/835453802.db2.gz YOYWOPNNEPNSAY-DENIHFKCSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCS2 ZINC000658142575 835453809 /nfs/dbraw/zinc/45/38/09/835453809.db2.gz YOYWOPNNEPNSAY-DENIHFKCSA-N 1 3 398.572 3.979 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000658166144 835482006 /nfs/dbraw/zinc/48/20/06/835482006.db2.gz MTXRZUNODXGZRE-FQEVSTJZSA-N 1 3 389.547 3.889 20 0 GHADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000512995875 844072925 /nfs/dbraw/zinc/07/29/25/844072925.db2.gz AWNQOCBDPVWCTN-MRXNPFEDSA-N 1 3 388.474 3.589 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000512995875 844072932 /nfs/dbraw/zinc/07/29/32/844072932.db2.gz AWNQOCBDPVWCTN-MRXNPFEDSA-N 1 3 388.474 3.589 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000154658543 835886023 /nfs/dbraw/zinc/88/60/23/835886023.db2.gz MBNHIJCOVBIDJW-AVRDEDQJSA-N 1 3 385.552 3.643 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000154658543 835886028 /nfs/dbraw/zinc/88/60/28/835886028.db2.gz MBNHIJCOVBIDJW-AVRDEDQJSA-N 1 3 385.552 3.643 20 0 GHADHO Cn1c(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)nc2c1cccc2F ZINC000180173357 836101819 /nfs/dbraw/zinc/10/18/19/836101819.db2.gz LYQCELIHFPJCQK-SVFBPWRDSA-N 1 3 392.522 3.755 20 0 GHADHO C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483519 844154579 /nfs/dbraw/zinc/15/45/79/844154579.db2.gz BSENCGMYQNBULP-UNMCSNQZSA-N 1 3 387.637 3.848 20 0 GHADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(-c2ccccc2)s1 ZINC000414181098 836416446 /nfs/dbraw/zinc/41/64/46/836416446.db2.gz BWJCDLKFWKSFFA-LJQANCHMSA-N 1 3 399.604 3.862 20 0 GHADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2ccccc2S(C)(=O)=O)CC1 ZINC000414236223 836675164 /nfs/dbraw/zinc/67/51/64/836675164.db2.gz HVNBRCSAEUQBQW-UHFFFAOYSA-N 1 3 386.561 3.623 20 0 GHADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2ccccc2S(C)(=O)=O)CC1 ZINC000414236223 836675170 /nfs/dbraw/zinc/67/51/70/836675170.db2.gz HVNBRCSAEUQBQW-UHFFFAOYSA-N 1 3 386.561 3.623 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000414293506 836940965 /nfs/dbraw/zinc/94/09/65/836940965.db2.gz BKRIMEREMFMJEP-IBGZPJMESA-N 1 3 396.531 3.526 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)c1OC ZINC000414294206 836943950 /nfs/dbraw/zinc/94/39/50/836943950.db2.gz BSUBKYZLQHYJTJ-IBGZPJMESA-N 1 3 398.547 3.690 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000511401430 837038803 /nfs/dbraw/zinc/03/88/03/837038803.db2.gz ZURGVLZJETWFKK-COPCDDAFSA-N 1 3 394.003 3.813 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000511401430 837038811 /nfs/dbraw/zinc/03/88/11/837038811.db2.gz ZURGVLZJETWFKK-COPCDDAFSA-N 1 3 394.003 3.813 20 0 GHADHO O=C1CC[C@@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)[C@H](c2ccccc2)N1 ZINC000414322487 837115719 /nfs/dbraw/zinc/11/57/19/837115719.db2.gz SSJSYSDSHMFBLJ-UMBJODAVSA-N 1 3 389.543 3.507 20 0 GHADHO O=C1CC[C@@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[C@H](c2ccccc2)N1 ZINC000414322487 837115723 /nfs/dbraw/zinc/11/57/23/837115723.db2.gz SSJSYSDSHMFBLJ-UMBJODAVSA-N 1 3 389.543 3.507 20 0 GHADHO O=C1CC[C@@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[C@H](c2ccccc2)N1 ZINC000414322487 837115728 /nfs/dbraw/zinc/11/57/28/837115728.db2.gz SSJSYSDSHMFBLJ-UMBJODAVSA-N 1 3 389.543 3.507 20 0 GHADHO CN(C)Cc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000376428615 837151473 /nfs/dbraw/zinc/15/14/73/837151473.db2.gz RNOKMOGVOLNHPO-FRIKZZABSA-N 1 3 377.532 3.674 20 0 GHADHO CN(C)Cc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000376428615 837151477 /nfs/dbraw/zinc/15/14/77/837151477.db2.gz RNOKMOGVOLNHPO-FRIKZZABSA-N 1 3 377.532 3.674 20 0 GHADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659037221 837344079 /nfs/dbraw/zinc/34/40/79/837344079.db2.gz HXRTXZKZKVGSHA-HXUWFJFHSA-N 1 3 388.556 3.514 20 0 GHADHO CN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000659248303 838005615 /nfs/dbraw/zinc/00/56/15/838005615.db2.gz VYBYPPVHFXXVCP-DHIUTWEWSA-N 1 3 391.559 3.802 20 0 GHADHO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000415999799 838377274 /nfs/dbraw/zinc/37/72/74/838377274.db2.gz VZZPJIUDRLFBHE-HTAPYJJXSA-N 1 3 378.520 3.807 20 0 GHADHO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000415999799 838377282 /nfs/dbraw/zinc/37/72/82/838377282.db2.gz VZZPJIUDRLFBHE-HTAPYJJXSA-N 1 3 378.520 3.807 20 0 GHADHO O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000782935202 838456213 /nfs/dbraw/zinc/45/62/13/838456213.db2.gz YPVAXQSRHWDXCD-HXUWFJFHSA-N 1 3 397.563 3.651 20 0 GHADHO O=C1c2ccccc2C(=O)N1CCCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000782935202 838456219 /nfs/dbraw/zinc/45/62/19/838456219.db2.gz YPVAXQSRHWDXCD-HXUWFJFHSA-N 1 3 397.563 3.651 20 0 GHADHO O=C1c2ccccc2C(=O)N1CCCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000782935202 838456225 /nfs/dbraw/zinc/45/62/25/838456225.db2.gz YPVAXQSRHWDXCD-HXUWFJFHSA-N 1 3 397.563 3.651 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000065467068 838943485 /nfs/dbraw/zinc/94/34/85/838943485.db2.gz WJOOFJXIEKDXRP-QHCPKHFHSA-N 1 3 396.579 3.939 20 0 GHADHO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182625143 839119176 /nfs/dbraw/zinc/11/91/76/839119176.db2.gz DUOVCFSOBLMQJM-MSOLQXFVSA-N 1 3 375.557 3.637 20 0 GHADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000415101037 839205079 /nfs/dbraw/zinc/20/50/79/839205079.db2.gz BLHPOXBEPFGEFB-TZIWHRDSSA-N 1 3 377.960 3.659 20 0 GHADHO FC(F)(F)Cn1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000580789279 840188176 /nfs/dbraw/zinc/18/81/76/840188176.db2.gz HZKDBECVTJIJFD-UHFFFAOYSA-N 1 3 392.469 3.934 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)N(C)C)cc1 ZINC000416831294 840209884 /nfs/dbraw/zinc/20/98/84/840209884.db2.gz AVIBCCMCCAHDJI-FCHUYYIVSA-N 1 3 382.552 3.631 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000416839145 840218059 /nfs/dbraw/zinc/21/80/59/840218059.db2.gz JKPOWJKGMKVXIY-OALUTQOASA-N 1 3 386.565 3.520 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@H](C)C3)CC2)CC1 ZINC000581141522 840778643 /nfs/dbraw/zinc/77/86/43/840778643.db2.gz YHUMCYVPHKPOAR-YKSBVNFPSA-N 1 3 397.607 3.835 20 0 GHADHO COc1ccc([C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)N2CCCC2)cc1 ZINC000044292443 841279495 /nfs/dbraw/zinc/27/94/95/841279495.db2.gz IAPLHUMHPCCLPL-QFIPXVFZSA-N 1 3 396.535 3.715 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001167823196 841995243 /nfs/dbraw/zinc/99/52/43/841995243.db2.gz BWSXZVHRZPGNIH-KZKAQZJJSA-N 1 3 389.584 3.588 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001167823193 841995300 /nfs/dbraw/zinc/99/53/00/841995300.db2.gz BWSXZVHRZPGNIH-FCJDFRRUSA-N 1 3 389.584 3.588 20 0 GHADHO C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000303534035 842009455 /nfs/dbraw/zinc/00/94/55/842009455.db2.gz SHPKNQNNMDVERD-LJQANCHMSA-N 1 3 385.596 3.709 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652335230 842269976 /nfs/dbraw/zinc/26/99/76/842269976.db2.gz YYSASXKHKPMFGQ-XAPVIXHLSA-N 1 3 377.532 3.548 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652335230 842269986 /nfs/dbraw/zinc/26/99/86/842269986.db2.gz YYSASXKHKPMFGQ-XAPVIXHLSA-N 1 3 377.532 3.548 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887539 842464148 /nfs/dbraw/zinc/46/41/48/842464148.db2.gz UUKBJDANKZWMRZ-AZUAARDMSA-N 1 3 376.541 3.553 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887539 842464150 /nfs/dbraw/zinc/46/41/50/842464150.db2.gz UUKBJDANKZWMRZ-AZUAARDMSA-N 1 3 376.541 3.553 20 0 GHADHO C[C@@H](NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1=CCN(C)CC1 ZINC000510484981 842497032 /nfs/dbraw/zinc/49/70/32/842497032.db2.gz ZLFTVPDCBAUYOP-HSALFYBXSA-N 1 3 398.595 3.614 20 0 GHADHO C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1=CCN(C)CC1 ZINC000510484981 842497035 /nfs/dbraw/zinc/49/70/35/842497035.db2.gz ZLFTVPDCBAUYOP-HSALFYBXSA-N 1 3 398.595 3.614 20 0 GHADHO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295181 843086648 /nfs/dbraw/zinc/08/66/48/843086648.db2.gz FTTIURXALJASOL-GOEBONIOSA-N 1 3 383.458 3.744 20 0 GHADHO CN(C)C(=O)c1cccc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471876836 843168124 /nfs/dbraw/zinc/16/81/24/843168124.db2.gz ZHBJSAJDQLQZPL-GOTSBHOMSA-N 1 3 379.548 3.561 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCCF)cc1 ZINC000510733012 843373037 /nfs/dbraw/zinc/37/30/37/843373037.db2.gz JOPCRWAIUNGWNU-CTNGQTDRSA-N 1 3 375.532 3.520 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000645196190 843839327 /nfs/dbraw/zinc/83/93/27/843839327.db2.gz KUINMTUJLHDTEQ-OAHLLOKOSA-N 1 3 386.353 3.655 20 0 GHADHO CC1CCN([C@H](CNC(=O)CCCC[NH+]2CCCC2)c2cccs2)CC1 ZINC000729302711 844836711 /nfs/dbraw/zinc/83/67/11/844836711.db2.gz RGDSNJGTWOGNKR-LJQANCHMSA-N 1 3 377.598 3.903 20 0 GHADHO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3CC)cc2Cl)CC1 ZINC000729338256 844860816 /nfs/dbraw/zinc/86/08/16/844860816.db2.gz AUPAEXDKANZBQQ-FQEVSTJZSA-N 1 3 392.975 3.685 20 0 GHADHO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3CC)cc2Cl)CC1 ZINC000729338256 844860820 /nfs/dbraw/zinc/86/08/20/844860820.db2.gz AUPAEXDKANZBQQ-FQEVSTJZSA-N 1 3 392.975 3.685 20 0 GHADHO O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512647358 844891176 /nfs/dbraw/zinc/89/11/76/844891176.db2.gz HPFWUNBWXXKUKP-YTFSRNRJSA-N 1 3 383.580 3.669 20 0 GHADHO c1cc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc(C[NH+]2CCCCC2)c1 ZINC000411248701 845149085 /nfs/dbraw/zinc/14/90/85/845149085.db2.gz BQUDBUFLLOHWNY-NRFANRHFSA-N 1 3 379.552 3.590 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000498590602 861548989 /nfs/dbraw/zinc/54/89/89/861548989.db2.gz IKNDIRYJOUHSNQ-YLJYHZDGSA-N 1 3 390.572 3.805 20 0 GHADHO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000512740211 845292166 /nfs/dbraw/zinc/29/21/66/845292166.db2.gz NSNYILOWIQAVEJ-GBXCKJPGSA-N 1 3 393.575 3.820 20 0 GHADHO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000512740211 845292173 /nfs/dbraw/zinc/29/21/73/845292173.db2.gz NSNYILOWIQAVEJ-GBXCKJPGSA-N 1 3 393.575 3.820 20 0 GHADHO CC(C)[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000411471027 845487726 /nfs/dbraw/zinc/48/77/26/845487726.db2.gz DGWBLRUDQOLGIO-FQEVSTJZSA-N 1 3 399.501 3.981 20 0 GHADHO CCn1nc(CNCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC000472050101 845589732 /nfs/dbraw/zinc/58/97/32/845589732.db2.gz UYGQCAKEGDVEOX-OALUTQOASA-N 1 3 392.547 3.955 20 0 GHADHO CCn1nc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC000472050101 845589741 /nfs/dbraw/zinc/58/97/41/845589741.db2.gz UYGQCAKEGDVEOX-OALUTQOASA-N 1 3 392.547 3.955 20 0 GHADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)ccn1 ZINC000179509826 861608687 /nfs/dbraw/zinc/60/86/87/861608687.db2.gz CHSGBBIDFXRLAC-GOSISDBHSA-N 1 3 395.425 3.698 20 0 GHADHO COc1ccc(OCc2nc(CNC3CCC([NH+](C)C)CC3)cs2)cc1 ZINC000421367542 846179169 /nfs/dbraw/zinc/17/91/69/846179169.db2.gz DZZJIYBPOZCGOA-UHFFFAOYSA-N 1 3 375.538 3.693 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000502821978 846515448 /nfs/dbraw/zinc/51/54/48/846515448.db2.gz AOYIJGVEWPJNMK-UNMCSNQZSA-N 1 3 386.584 3.635 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000502821978 846515457 /nfs/dbraw/zinc/51/54/57/846515457.db2.gz AOYIJGVEWPJNMK-UNMCSNQZSA-N 1 3 386.584 3.635 20 0 GHADHO CCc1ccc(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501049207 846577486 /nfs/dbraw/zinc/57/74/86/846577486.db2.gz UFKDYDICQITRPT-GOSISDBHSA-N 1 3 380.536 3.819 20 0 GHADHO CN(C)[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000124809720 846600943 /nfs/dbraw/zinc/60/09/43/846600943.db2.gz OYTKBJJPRKLGFS-HSZRJFAPSA-N 1 3 387.518 3.864 20 0 GHADHO Cc1c(Cl)cccc1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501052109 846604269 /nfs/dbraw/zinc/60/42/69/846604269.db2.gz OIILTORYPWVANY-UHFFFAOYSA-N 1 3 386.927 3.830 20 0 GHADHO Cc1cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)ccc1C(F)(F)F ZINC000414427343 846802702 /nfs/dbraw/zinc/80/27/02/846802702.db2.gz FFPRKSWERQWDGO-UHFFFAOYSA-N 1 3 383.502 3.863 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000503112633 846823306 /nfs/dbraw/zinc/82/33/06/846823306.db2.gz RSDYZJOYYGLJCJ-DENIHFKCSA-N 1 3 394.563 3.690 20 0 GHADHO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000501360123 846868251 /nfs/dbraw/zinc/86/82/51/846868251.db2.gz LUOSGORXONMSRL-VXKWHMMOSA-N 1 3 386.584 3.633 20 0 GHADHO C[NH+](C)[C@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000501360120 846868356 /nfs/dbraw/zinc/86/83/56/846868356.db2.gz LUOSGORXONMSRL-FCHUYYIVSA-N 1 3 386.584 3.633 20 0 GHADHO NC(=O)c1ccc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513714125 846903892 /nfs/dbraw/zinc/90/38/92/846903892.db2.gz YQURIZVWTYIGRE-YTFSRNRJSA-N 1 3 377.532 3.566 20 0 GHADHO NC(=O)c1ccc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513714125 846903900 /nfs/dbraw/zinc/90/39/00/846903900.db2.gz YQURIZVWTYIGRE-YTFSRNRJSA-N 1 3 377.532 3.566 20 0 GHADHO NC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)C1CCCCC1 ZINC000420354189 847134936 /nfs/dbraw/zinc/13/49/36/847134936.db2.gz CLWIJEXHXHIRFQ-HNNXBMFYSA-N 1 3 388.737 3.538 20 0 GHADHO COCCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000272735218 847159460 /nfs/dbraw/zinc/15/94/60/847159460.db2.gz JLENGQLOXYOZND-XXBNENTESA-N 1 3 398.547 3.519 20 0 GHADHO COCCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000272735218 847159468 /nfs/dbraw/zinc/15/94/68/847159468.db2.gz JLENGQLOXYOZND-XXBNENTESA-N 1 3 398.547 3.519 20 0 GHADHO COc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000272902218 847203265 /nfs/dbraw/zinc/20/32/65/847203265.db2.gz KKJJUKZYGWUUNK-PGRDOPGGSA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000272902218 847203274 /nfs/dbraw/zinc/20/32/74/847203274.db2.gz KKJJUKZYGWUUNK-PGRDOPGGSA-N 1 3 395.547 3.552 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000272933312 847211367 /nfs/dbraw/zinc/21/13/67/847211367.db2.gz ZWSKQTYZEOEOGS-GCJKJVERSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000272933312 847211376 /nfs/dbraw/zinc/21/13/76/847211376.db2.gz ZWSKQTYZEOEOGS-GCJKJVERSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@H](CCCC[NH3+])N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422798785 847827794 /nfs/dbraw/zinc/82/77/94/847827794.db2.gz SVUWCJSWKCOXAW-FOIQADDNSA-N 1 3 394.968 3.940 20 0 GHADHO C[C@H](CCCC[NH3+])N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422798787 847827826 /nfs/dbraw/zinc/82/78/26/847827826.db2.gz SVUWCJSWKCOXAW-QRWLVFNGSA-N 1 3 394.968 3.940 20 0 GHADHO CN(C)c1cc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2n1 ZINC000422808580 847833175 /nfs/dbraw/zinc/83/31/75/847833175.db2.gz OMJWCHZWQQCSAA-ZJSXRUAMSA-N 1 3 388.515 3.646 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)Oc1ccc(Br)cc1 ZINC000422792981 847838993 /nfs/dbraw/zinc/83/89/93/847838993.db2.gz FJVWUSRHXAUOQF-OLZOCXBDSA-N 1 3 378.314 3.729 20 0 GHADHO C[C@@H]([NH2+]C1(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CCCC1)c1ccccc1 ZINC000503726814 847925398 /nfs/dbraw/zinc/92/53/98/847925398.db2.gz MFZHRQSCJZQRBR-WIYYLYMNSA-N 1 3 384.568 3.528 20 0 GHADHO c1ccc(COc2cccc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000423033248 847947727 /nfs/dbraw/zinc/94/77/27/847947727.db2.gz ZIFCVJUULXAWLI-WXFUMESZSA-N 1 3 380.532 3.555 20 0 GHADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@H](N)c4ccccc43)nc12 ZINC000423035149 847948899 /nfs/dbraw/zinc/94/88/99/847948899.db2.gz JAUBBLVBDIKLLF-ZWKOTPCHSA-N 1 3 385.309 3.682 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423087677 847973984 /nfs/dbraw/zinc/97/39/84/847973984.db2.gz OPKURLUUQYACSB-RHSMWYFYSA-N 1 3 389.341 3.541 20 0 GHADHO CCCOc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1OC ZINC000657612992 848329072 /nfs/dbraw/zinc/32/90/72/848329072.db2.gz SVNAQLGUAKAMAP-UHFFFAOYSA-N 1 3 383.536 3.881 20 0 GHADHO Cc1ccccc1-n1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000657613968 848341937 /nfs/dbraw/zinc/34/19/37/848341937.db2.gz ZKAHOGUYZIBNBD-UHFFFAOYSA-N 1 3 375.520 3.578 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)N(C)C)cc1 ZINC000582927150 848710434 /nfs/dbraw/zinc/71/04/34/848710434.db2.gz SYQCNNZUTIHSOS-LJQANCHMSA-N 1 3 377.598 3.640 20 0 GHADHO CN1CCCC[C@H]1c1ccc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)nc1 ZINC001167642146 848764743 /nfs/dbraw/zinc/76/47/43/848764743.db2.gz DBUZZYVDCKOBTR-DKTYTTGXSA-N 1 3 388.556 3.632 20 0 GHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(I)cc1 ZINC000423183951 849775638 /nfs/dbraw/zinc/77/56/38/849775638.db2.gz HAFJSWFHOFXGND-AWEZNQCLSA-N 1 3 395.288 3.517 20 0 GHADHO C[NH+]1CCC(C)(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000503946685 849790612 /nfs/dbraw/zinc/79/06/12/849790612.db2.gz RKHZIVIVMNWHOS-UHFFFAOYSA-N 1 3 377.330 3.661 20 0 GHADHO C[C@@]1(CN[C@H](c2cccc(Br)c2)C2CCOCC2)CCC[NH2+]C1 ZINC000423329140 849869227 /nfs/dbraw/zinc/86/92/27/849869227.db2.gz DYOCLOXUACEYKF-RBUKOAKNSA-N 1 3 381.358 3.896 20 0 GHADHO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000505116337 850617607 /nfs/dbraw/zinc/61/76/07/850617607.db2.gz ZMPNTIAZXNPHFQ-HXUWFJFHSA-N 1 3 387.474 3.844 20 0 GHADHO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000505338316 850832689 /nfs/dbraw/zinc/83/26/89/850832689.db2.gz OLHWSVUFPRNPOL-FQEVSTJZSA-N 1 3 387.474 3.844 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCC(C[NH+](CC)CC)CC2)N(C)C)cc1 ZINC000515291361 850881105 /nfs/dbraw/zinc/88/11/05/850881105.db2.gz QUGFCJIUPSDOSX-QFIPXVFZSA-N 1 3 388.600 3.615 20 0 GHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487872938 850960175 /nfs/dbraw/zinc/96/01/75/850960175.db2.gz KTKASJMLLMRAGG-GOTSBHOMSA-N 1 3 383.580 3.766 20 0 GHADHO CC(C)C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167969487 851376362 /nfs/dbraw/zinc/37/63/62/851376362.db2.gz CZLLLRDYSMGYQG-SEBOWIOWSA-N 1 3 379.589 3.921 20 0 GHADHO CC(C)C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167969487 851376376 /nfs/dbraw/zinc/37/63/76/851376376.db2.gz CZLLLRDYSMGYQG-SEBOWIOWSA-N 1 3 379.589 3.921 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436313713 851447114 /nfs/dbraw/zinc/44/71/14/851447114.db2.gz LYYCXSCOURBTTN-DLBZAZTESA-N 1 3 376.850 3.826 20 0 GHADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000101792462 851915721 /nfs/dbraw/zinc/91/57/21/851915721.db2.gz WJZFLGWTFBLVSN-JTHBVZDNSA-N 1 3 398.595 3.557 20 0 GHADHO CCCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000101792462 851915722 /nfs/dbraw/zinc/91/57/22/851915722.db2.gz WJZFLGWTFBLVSN-JTHBVZDNSA-N 1 3 398.595 3.557 20 0 GHADHO Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000488998548 851916131 /nfs/dbraw/zinc/91/61/31/851916131.db2.gz XJWDYZPBGXJWPQ-OALUTQOASA-N 1 3 383.580 3.651 20 0 GHADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000111799777 851947757 /nfs/dbraw/zinc/94/77/57/851947757.db2.gz DCQKAKHRTABTRV-LJQANCHMSA-N 1 3 392.613 3.693 20 0 GHADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CN(C)C ZINC000425944562 852000200 /nfs/dbraw/zinc/00/02/00/852000200.db2.gz XPLIKYNADIHLOZ-RYUDHWBXSA-N 1 3 379.854 3.863 20 0 GHADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C[NH+](C)C ZINC000425944562 852000211 /nfs/dbraw/zinc/00/02/11/852000211.db2.gz XPLIKYNADIHLOZ-RYUDHWBXSA-N 1 3 379.854 3.863 20 0 GHADHO Fc1ccc(-c2ncnc3c2CC[N@@H+](C2CCN(CC4CC4)CC2)CC3)cc1 ZINC001168377167 853464435 /nfs/dbraw/zinc/46/44/35/853464435.db2.gz DFISYVZSZGRJDK-UHFFFAOYSA-N 1 3 380.511 3.558 20 0 GHADHO Fc1ccc(-c2ncnc3c2CC[N@H+](C2CCN(CC4CC4)CC2)CC3)cc1 ZINC001168377167 853464439 /nfs/dbraw/zinc/46/44/39/853464439.db2.gz DFISYVZSZGRJDK-UHFFFAOYSA-N 1 3 380.511 3.558 20 0 GHADHO C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623875275 862475577 /nfs/dbraw/zinc/47/55/77/862475577.db2.gz BYFUVHWWOCWMLM-CQSZACIVSA-N 1 3 396.432 3.842 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000519921094 853622781 /nfs/dbraw/zinc/62/27/81/853622781.db2.gz LEEDBNMMOGXYRR-NRFANRHFSA-N 1 3 389.559 3.617 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000519921094 853622787 /nfs/dbraw/zinc/62/27/87/853622787.db2.gz LEEDBNMMOGXYRR-NRFANRHFSA-N 1 3 389.559 3.617 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520093959 853826521 /nfs/dbraw/zinc/82/65/21/853826521.db2.gz PWZGJMADLHCUST-CTNGQTDRSA-N 1 3 389.559 3.809 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520093959 853826528 /nfs/dbraw/zinc/82/65/28/853826528.db2.gz PWZGJMADLHCUST-CTNGQTDRSA-N 1 3 389.559 3.809 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)N(C)C)cc1 ZINC000520108719 853851645 /nfs/dbraw/zinc/85/16/45/853851645.db2.gz TXENBHPEDWVNAY-FYYLOGMGSA-N 1 3 397.538 3.765 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)N(C)C)cc1 ZINC000520108719 853851650 /nfs/dbraw/zinc/85/16/50/853851650.db2.gz TXENBHPEDWVNAY-FYYLOGMGSA-N 1 3 397.538 3.765 20 0 GHADHO CCCN1Cc2cccc(NC(=O)C3CC[NH+](C4CCN(CC)CC4)CC3)c2C1 ZINC000571415612 853874132 /nfs/dbraw/zinc/87/41/32/853874132.db2.gz BYBXSQGVGPQGDX-UHFFFAOYSA-N 1 3 398.595 3.547 20 0 GHADHO CC1(C)CC[C@H](NCCC[NH+]2CCC(O)CC2)c2cc(Br)ccc21 ZINC000481912793 862509440 /nfs/dbraw/zinc/50/94/40/862509440.db2.gz BQXYLSLOFLQBAF-IBGZPJMESA-N 1 3 395.385 3.998 20 0 GHADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(I)cc1 ZINC000590779698 855581197 /nfs/dbraw/zinc/58/11/97/855581197.db2.gz LHBICOOYDCQQSJ-HMQMGEFJSA-N 1 3 384.305 3.957 20 0 GHADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(I)cc1 ZINC000590779698 855581200 /nfs/dbraw/zinc/58/12/00/855581200.db2.gz LHBICOOYDCQQSJ-HMQMGEFJSA-N 1 3 384.305 3.957 20 0 GHADHO CSC1(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)CC[NH+](C)CC1 ZINC000573023198 855691696 /nfs/dbraw/zinc/69/16/96/855691696.db2.gz CRSPCUTWSDBLRA-GOSISDBHSA-N 1 3 399.000 3.815 20 0 GHADHO CCOc1cccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000765868909 855840051 /nfs/dbraw/zinc/84/00/51/855840051.db2.gz UEEMDXRCBWPXBK-XMSQKQJNSA-N 1 3 395.547 3.633 20 0 GHADHO CCOc1cccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000765868909 855840053 /nfs/dbraw/zinc/84/00/53/855840053.db2.gz UEEMDXRCBWPXBK-XMSQKQJNSA-N 1 3 395.547 3.633 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000573082261 855857667 /nfs/dbraw/zinc/85/76/67/855857667.db2.gz CQOQTPFESKMIFU-WMLDXEAASA-N 1 3 397.473 3.656 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000573082259 855857720 /nfs/dbraw/zinc/85/77/20/855857720.db2.gz CQOQTPFESKMIFU-PBHICJAKSA-N 1 3 397.473 3.656 20 0 GHADHO C[N@H+](Cc1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000165882717 856349978 /nfs/dbraw/zinc/34/99/78/856349978.db2.gz SVVDVAIMRALAGV-QHCPKHFHSA-N 1 3 379.548 3.637 20 0 GHADHO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000165882717 856349987 /nfs/dbraw/zinc/34/99/87/856349987.db2.gz SVVDVAIMRALAGV-QHCPKHFHSA-N 1 3 379.548 3.637 20 0 GHADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508905497 856585672 /nfs/dbraw/zinc/58/56/72/856585672.db2.gz LKNNCSAHNSVBKU-NFBKMPQASA-N 1 3 394.563 3.595 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000485481861 856654174 /nfs/dbraw/zinc/65/41/74/856654174.db2.gz QWHNWOWFEKAOCZ-FQEVSTJZSA-N 1 3 398.595 3.872 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000181280677 862820643 /nfs/dbraw/zinc/82/06/43/862820643.db2.gz UIZKNNQSEPSDJP-LJQANCHMSA-N 1 3 386.584 3.603 20 0 GHADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428064680 857075621 /nfs/dbraw/zinc/07/56/21/857075621.db2.gz ABFGFCXZVNYWGX-NRFANRHFSA-N 1 3 379.548 3.780 20 0 GHADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428064680 857075633 /nfs/dbraw/zinc/07/56/33/857075633.db2.gz ABFGFCXZVNYWGX-NRFANRHFSA-N 1 3 379.548 3.780 20 0 GHADHO CCOc1ccc([C@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1OCC ZINC000675881490 857659515 /nfs/dbraw/zinc/65/95/15/857659515.db2.gz MEQSXSZIDMYZDO-FXAWDEMLSA-N 1 3 376.541 3.778 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)N2CCCC2)cc1 ZINC000064237340 857687174 /nfs/dbraw/zinc/68/71/74/857687174.db2.gz IRTWULOKNSZRRX-JOCHJYFZSA-N 1 3 386.584 3.552 20 0 GHADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000543013235 857845605 /nfs/dbraw/zinc/84/56/05/857845605.db2.gz WZHOSKPPBPMQDP-JOCHJYFZSA-N 1 3 388.600 3.833 20 0 GHADHO FC(F)(F)c1ccc(Cn2cc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cn2)cc1 ZINC000574452211 857893051 /nfs/dbraw/zinc/89/30/51/857893051.db2.gz BQTHSILCEDOQEX-HXUWFJFHSA-N 1 3 392.469 3.914 20 0 GHADHO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000521531278 858077493 /nfs/dbraw/zinc/07/74/93/858077493.db2.gz WEPGLKRVPKVTMF-IBGZPJMESA-N 1 3 399.510 3.747 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000594495445 858191463 /nfs/dbraw/zinc/19/14/63/858191463.db2.gz XYWVDNNQHRPXNR-QFIPXVFZSA-N 1 3 382.504 3.581 20 0 GHADHO Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114749137 858198547 /nfs/dbraw/zinc/19/85/47/858198547.db2.gz UZCXEBOVEXMKNZ-PMACEKPBSA-N 1 3 379.548 3.815 20 0 GHADHO C[C@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000443107813 858365629 /nfs/dbraw/zinc/36/56/29/858365629.db2.gz ZMCDHNUUPZRTTC-AVRDEDQJSA-N 1 3 387.568 3.601 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000521974598 858503413 /nfs/dbraw/zinc/50/34/13/858503413.db2.gz XNVPBBVBSIGGBH-RBBKRZOGSA-N 1 3 386.584 3.553 20 0 GHADHO CC1CC[NH+](CCCCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000071919680 858770042 /nfs/dbraw/zinc/77/00/42/858770042.db2.gz AREPJCKLCCOZFR-JOCHJYFZSA-N 1 3 386.584 3.635 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000499682935 858823234 /nfs/dbraw/zinc/82/32/34/858823234.db2.gz KSDXULYLUIBJIB-DNQXCXABSA-N 1 3 398.522 3.872 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)cc1 ZINC000474082464 858838900 /nfs/dbraw/zinc/83/89/00/858838900.db2.gz OTEGPBWJDSDYHM-CCDWMCETSA-N 1 3 399.623 3.769 20 0 GHADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SCC(F)F)cc1 ZINC000482885994 858940191 /nfs/dbraw/zinc/94/01/91/858940191.db2.gz HTJALKOSMDUQNE-HNNXBMFYSA-N 1 3 399.551 3.637 20 0 GHADHO Fc1ccc2c(c1)[C@H](N1CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942655 858997933 /nfs/dbraw/zinc/99/79/33/858997933.db2.gz FCUOQCUGYCDFPA-AUSIDOKSSA-N 1 3 394.538 3.742 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc21 ZINC001168368110 859487123 /nfs/dbraw/zinc/48/71/23/859487123.db2.gz AHQPVNIXOSMICG-UHFFFAOYSA-N 1 3 385.552 3.948 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3CCSC)CC2)CC1 ZINC000601721347 859499888 /nfs/dbraw/zinc/49/98/88/859499888.db2.gz ISTAATXQEHXADS-UHFFFAOYSA-N 1 3 389.609 3.727 20 0 GHADHO COc1cc(C)c(CN2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(C)n1 ZINC000856560737 881441194 /nfs/dbraw/zinc/44/11/94/881441194.db2.gz QBAGWVSWMMPMGA-NRFANRHFSA-N 1 3 398.551 3.596 20 0 GHADHO COc1cc(C)c(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(C)n1 ZINC000856560737 881441206 /nfs/dbraw/zinc/44/12/06/881441206.db2.gz QBAGWVSWMMPMGA-NRFANRHFSA-N 1 3 398.551 3.596 20 0 GHADHO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCO1 ZINC000856561774 881468524 /nfs/dbraw/zinc/46/85/24/881468524.db2.gz YVQLWBBOLADGOX-CZTZKLFOSA-N 1 3 375.557 3.580 20 0 GHADHO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCO1 ZINC000856561774 881468532 /nfs/dbraw/zinc/46/85/32/881468532.db2.gz YVQLWBBOLADGOX-CZTZKLFOSA-N 1 3 375.557 3.580 20 0 GHADHO C[NH+]1CCC(O)(CN[C@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000484161041 859855189 /nfs/dbraw/zinc/85/51/89/859855189.db2.gz IPYQDFXRAXDXAE-HXUWFJFHSA-N 1 3 376.903 3.809 20 0 GHADHO CN1CCC(O)(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000484161041 859855198 /nfs/dbraw/zinc/85/51/98/859855198.db2.gz IPYQDFXRAXDXAE-HXUWFJFHSA-N 1 3 376.903 3.809 20 0 GHADHO Cc1nc2sc3c(c2c(N[C@@H]2CCN(C4CC[NH+](C)CC4)C2)n1)CC[C@@H](C)C3 ZINC000602233302 859880837 /nfs/dbraw/zinc/88/08/37/859880837.db2.gz RRXREJKIXPWRSF-GDBMZVCRSA-N 1 3 399.608 3.705 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001127859555 859967024 /nfs/dbraw/zinc/96/70/24/859967024.db2.gz KDWSTKPICDAVPX-HYBUGGRVSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]1CC(N[C@H]2CCN(Cc3cccnc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168036155 860230521 /nfs/dbraw/zinc/23/05/21/860230521.db2.gz UEBNTLQHGWEBAH-VIZSFHNOSA-N 1 3 378.564 3.687 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011437 860531183 /nfs/dbraw/zinc/53/11/83/860531183.db2.gz AWQJZWDBFNAQGK-PXNSSMCTSA-N 1 3 394.991 3.706 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011437 860531187 /nfs/dbraw/zinc/53/11/87/860531187.db2.gz AWQJZWDBFNAQGK-PXNSSMCTSA-N 1 3 394.991 3.706 20 0 GHADHO Clc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c(-n2cncn2)c1 ZINC000474734401 860692210 /nfs/dbraw/zinc/69/22/10/860692210.db2.gz SOPSUUSXXHQBKQ-IBGZPJMESA-N 1 3 395.938 3.575 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)C2)ccn1 ZINC000856604865 881581705 /nfs/dbraw/zinc/58/17/05/881581705.db2.gz SRRRTHWXTYDXCP-FYYLOGMGSA-N 1 3 388.600 3.638 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CCN(C[C@H]3CCCC[N@H+]3C(C)C)C2)ccn1 ZINC000856604865 881581716 /nfs/dbraw/zinc/58/17/16/881581716.db2.gz SRRRTHWXTYDXCP-FYYLOGMGSA-N 1 3 388.600 3.638 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)c2cccs2)CC1 ZINC000623342772 860890787 /nfs/dbraw/zinc/89/07/87/860890787.db2.gz NKDJICCFNTYCSX-RBUKOAKNSA-N 1 3 392.613 3.552 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000623342772 860890794 /nfs/dbraw/zinc/89/07/94/860890794.db2.gz NKDJICCFNTYCSX-RBUKOAKNSA-N 1 3 392.613 3.552 20 0 GHADHO Cc1cc(Br)ccc1NC(=O)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623395686 860994637 /nfs/dbraw/zinc/99/46/37/860994637.db2.gz VAQRLFJBJFZYHT-OAHLLOKOSA-N 1 3 382.346 3.549 20 0 GHADHO Cc1cc(Br)ccc1NC(=O)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623395686 860994647 /nfs/dbraw/zinc/99/46/47/860994647.db2.gz VAQRLFJBJFZYHT-OAHLLOKOSA-N 1 3 382.346 3.549 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 ZINC001168528890 860999679 /nfs/dbraw/zinc/99/96/79/860999679.db2.gz OIPKUXBAUVQHLL-CAOSSQGBSA-N 1 3 393.494 3.779 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000481321415 861038112 /nfs/dbraw/zinc/03/81/12/861038112.db2.gz OTZMXNNJMITKFD-BWKNWUBXSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000481321415 861038127 /nfs/dbraw/zinc/03/81/27/861038127.db2.gz OTZMXNNJMITKFD-BWKNWUBXSA-N 1 3 393.575 3.519 20 0 GHADHO c1ccc(OCc2cccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)c2)cc1 ZINC000655696709 863133826 /nfs/dbraw/zinc/13/38/26/863133826.db2.gz JONFVTPIGAYGJY-XMMPIXPASA-N 1 3 380.532 3.999 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC4(CCCCC4)CC3)CC2)CC1 ZINC000189182959 881669171 /nfs/dbraw/zinc/66/91/71/881669171.db2.gz VYRKKHOMULEKLQ-UHFFFAOYSA-N 1 3 390.616 3.691 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475133769 864269275 /nfs/dbraw/zinc/26/92/75/864269275.db2.gz AWMDOFFNBXOGLA-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475133769 864269290 /nfs/dbraw/zinc/26/92/90/864269290.db2.gz AWMDOFFNBXOGLA-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000494486347 881783444 /nfs/dbraw/zinc/78/34/44/881783444.db2.gz OHNCHZWWCRNKID-QHCPKHFHSA-N 1 3 375.520 3.720 20 0 GHADHO Cc1ncsc1-c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000667683144 864771472 /nfs/dbraw/zinc/77/14/72/864771472.db2.gz GLRMYDVCZRZXJP-LAUBAEHRSA-N 1 3 384.593 3.576 20 0 GHADHO CCOC(=O)c1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001142599746 864814454 /nfs/dbraw/zinc/81/44/54/864814454.db2.gz RZIWNEWOPRPXKH-UHFFFAOYSA-N 1 3 378.516 3.961 20 0 GHADHO COCCCn1nccc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000554916347 865160725 /nfs/dbraw/zinc/16/07/25/865160725.db2.gz NKNOLGFQYGSKOF-UHFFFAOYSA-N 1 3 390.959 3.575 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726182 865179445 /nfs/dbraw/zinc/17/94/45/865179445.db2.gz HJRXGZYUHIHKLE-XLIONFOSSA-N 1 3 377.598 3.902 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726182 865179453 /nfs/dbraw/zinc/17/94/53/865179453.db2.gz HJRXGZYUHIHKLE-XLIONFOSSA-N 1 3 377.598 3.902 20 0 GHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000480898315 865481602 /nfs/dbraw/zinc/48/16/02/865481602.db2.gz MMKVVJPXORDNNS-HOYKHHGWSA-N 1 3 381.539 3.986 20 0 GHADHO CN(C)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000555230211 865749640 /nfs/dbraw/zinc/74/96/40/865749640.db2.gz XKDREZJRASXBQF-FXAWDEMLSA-N 1 3 377.960 3.714 20 0 GHADHO CN(C)C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000555230211 865749646 /nfs/dbraw/zinc/74/96/46/865749646.db2.gz XKDREZJRASXBQF-FXAWDEMLSA-N 1 3 377.960 3.714 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000899377083 865870452 /nfs/dbraw/zinc/87/04/52/865870452.db2.gz UADWYOIJYRGSIU-AUSIDOKSSA-N 1 3 383.580 3.792 20 0 GHADHO C[NH+]1CCC(CNC(=O)Nc2cc(F)ccc2Cl)(N2CCCCC2)CC1 ZINC000176063502 866111741 /nfs/dbraw/zinc/11/17/41/866111741.db2.gz UYZMXVXLYXYCIA-UHFFFAOYSA-N 1 3 382.911 3.551 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cc1CN1CCCCC1 ZINC000183205468 866376737 /nfs/dbraw/zinc/37/67/37/866376737.db2.gz KWDZOVDZWNPVBR-GOSISDBHSA-N 1 3 395.547 3.673 20 0 GHADHO CC(C)N(C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501020585 866738736 /nfs/dbraw/zinc/73/87/36/866738736.db2.gz MGDFEXIYSXMSEE-UHFFFAOYSA-N 1 3 380.536 3.671 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000534609881 867134626 /nfs/dbraw/zinc/13/46/26/867134626.db2.gz OZEOGNVAAIKCNW-PVSGBFIBSA-N 1 3 392.547 3.567 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000534609881 867134630 /nfs/dbraw/zinc/13/46/30/867134630.db2.gz OZEOGNVAAIKCNW-PVSGBFIBSA-N 1 3 392.547 3.567 20 0 GHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000534721401 867366556 /nfs/dbraw/zinc/36/65/56/867366556.db2.gz GJKUOWSQXHZOQV-XZOQPEGZSA-N 1 3 394.563 3.514 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000553479559 867487820 /nfs/dbraw/zinc/48/78/20/867487820.db2.gz XKCJDLGSSXHAKG-CTNGQTDRSA-N 1 3 398.551 3.578 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000553479559 867487835 /nfs/dbraw/zinc/48/78/35/867487835.db2.gz XKCJDLGSSXHAKG-CTNGQTDRSA-N 1 3 398.551 3.578 20 0 GHADHO CSc1ccc(Cl)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000667466537 867580915 /nfs/dbraw/zinc/58/09/15/867580915.db2.gz BHIHOJOSQNEKMU-UHFFFAOYSA-N 1 3 396.988 3.742 20 0 GHADHO CN(CCCN(C)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)Cc1ccco1 ZINC000857258051 882150073 /nfs/dbraw/zinc/15/00/73/882150073.db2.gz KCCDZXKGNSVYGA-OAQYLSRUSA-N 1 3 383.536 3.683 20 0 GHADHO CN(CCCN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)Cc1ccco1 ZINC000857258051 882150078 /nfs/dbraw/zinc/15/00/78/882150078.db2.gz KCCDZXKGNSVYGA-OAQYLSRUSA-N 1 3 383.536 3.683 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000155821122 868122126 /nfs/dbraw/zinc/12/21/26/868122126.db2.gz NQPSRNGRTDRFOS-CYBMUJFWSA-N 1 3 397.407 3.840 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000457467626 868310259 /nfs/dbraw/zinc/31/02/59/868310259.db2.gz CAKHELVAFVZKMW-OALUTQOASA-N 1 3 392.613 3.552 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000457467626 868310269 /nfs/dbraw/zinc/31/02/69/868310269.db2.gz CAKHELVAFVZKMW-OALUTQOASA-N 1 3 392.613 3.552 20 0 GHADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000272271677 868476443 /nfs/dbraw/zinc/47/64/43/868476443.db2.gz BMRMYXVNRGIUDF-BBTUJRGHSA-N 1 3 386.561 3.651 20 0 GHADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000479873095 868637093 /nfs/dbraw/zinc/63/70/93/868637093.db2.gz LSUNMADURSUFSM-QHCPKHFHSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000479873094 868637251 /nfs/dbraw/zinc/63/72/51/868637251.db2.gz LSUNMADURSUFSM-HSZRJFAPSA-N 1 3 375.520 3.576 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccccc1Cl ZINC000554086758 868728199 /nfs/dbraw/zinc/72/81/99/868728199.db2.gz PJEGWIBKXPATCP-WKHFQEMYSA-N 1 3 384.951 3.916 20 0 GHADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1Cl ZINC000554086758 868728200 /nfs/dbraw/zinc/72/82/00/868728200.db2.gz PJEGWIBKXPATCP-WKHFQEMYSA-N 1 3 384.951 3.916 20 0 GHADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1Cl ZINC000554086758 868728206 /nfs/dbraw/zinc/72/82/06/868728206.db2.gz PJEGWIBKXPATCP-WKHFQEMYSA-N 1 3 384.951 3.916 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1Cl ZINC000554086755 868728263 /nfs/dbraw/zinc/72/82/63/868728263.db2.gz PJEGWIBKXPATCP-MHXAIHSWSA-N 1 3 384.951 3.916 20 0 GHADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1Cl ZINC000554086755 868728267 /nfs/dbraw/zinc/72/82/67/868728267.db2.gz PJEGWIBKXPATCP-MHXAIHSWSA-N 1 3 384.951 3.916 20 0 GHADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1Cl ZINC000554086755 868728271 /nfs/dbraw/zinc/72/82/71/868728271.db2.gz PJEGWIBKXPATCP-MHXAIHSWSA-N 1 3 384.951 3.916 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000667590014 868876597 /nfs/dbraw/zinc/87/65/97/868876597.db2.gz IXEQSLUTFGUZFS-UHFFFAOYSA-N 1 3 375.520 3.611 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000667590014 868876605 /nfs/dbraw/zinc/87/66/05/868876605.db2.gz IXEQSLUTFGUZFS-UHFFFAOYSA-N 1 3 375.520 3.611 20 0 GHADHO COc1cccc([C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)N(C)C)c1 ZINC000133666094 882325497 /nfs/dbraw/zinc/32/54/97/882325497.db2.gz PLCDKVPHSBCBRI-XMMPIXPASA-N 1 3 399.554 3.734 20 0 GHADHO CC(C)Cc1ncc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000539823707 869852853 /nfs/dbraw/zinc/85/28/53/869852853.db2.gz KEWTYQFIBDZLOP-UHFFFAOYSA-N 1 3 392.657 3.970 20 0 GHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000539851622 869899771 /nfs/dbraw/zinc/89/97/71/869899771.db2.gz WPKTXYSIGXYJRL-NRFANRHFSA-N 1 3 388.531 3.561 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@@H](C)C1 ZINC000248428089 870408712 /nfs/dbraw/zinc/40/87/12/870408712.db2.gz QPUGPRFJFBCRBU-CVDCTZTESA-N 1 3 397.563 3.984 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000540159234 870621240 /nfs/dbraw/zinc/62/12/40/870621240.db2.gz XDQNNYTVYQVRKW-WZONZLPQSA-N 1 3 384.520 3.583 20 0 GHADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000540159234 870621254 /nfs/dbraw/zinc/62/12/54/870621254.db2.gz XDQNNYTVYQVRKW-WZONZLPQSA-N 1 3 384.520 3.583 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CCS2 ZINC000248883034 870675779 /nfs/dbraw/zinc/67/57/79/870675779.db2.gz XIGVJYJKDDBMAO-UGKGYDQZSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CCS2 ZINC000248883034 870675794 /nfs/dbraw/zinc/67/57/94/870675794.db2.gz XIGVJYJKDDBMAO-UGKGYDQZSA-N 1 3 398.572 3.979 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000525452516 870712682 /nfs/dbraw/zinc/71/26/82/870712682.db2.gz HSEYTCGIUTWOLT-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000461698067 870752843 /nfs/dbraw/zinc/75/28/43/870752843.db2.gz KDZRHJXVKFWFOA-JXFKEZNVSA-N 1 3 399.501 3.534 20 0 GHADHO Cc1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000249123913 870765804 /nfs/dbraw/zinc/76/58/04/870765804.db2.gz ZREJFSGAJKCIMA-UNMCSNQZSA-N 1 3 396.535 3.502 20 0 GHADHO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001169539929 871617617 /nfs/dbraw/zinc/61/76/17/871617617.db2.gz KZNYRFQTRNWBFD-GCJKJVERSA-N 1 3 390.531 3.931 20 0 GHADHO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001169539929 871617624 /nfs/dbraw/zinc/61/76/24/871617624.db2.gz KZNYRFQTRNWBFD-GCJKJVERSA-N 1 3 390.531 3.931 20 0 GHADHO CCCN1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1 ZINC000462114807 871640720 /nfs/dbraw/zinc/64/07/20/871640720.db2.gz ZANMFEUGLMGGJN-OAQYLSRUSA-N 1 3 394.003 3.956 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462191682 871822984 /nfs/dbraw/zinc/82/29/84/871822984.db2.gz WCIBSWRKMOCXFO-YKSBVNFPSA-N 1 3 391.559 3.535 20 0 GHADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926621 872042657 /nfs/dbraw/zinc/04/26/57/872042657.db2.gz ZCRWTJTWYGKHHG-LJQANCHMSA-N 1 3 378.944 3.827 20 0 GHADHO CCCOc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC ZINC000093735124 872371231 /nfs/dbraw/zinc/37/12/31/872371231.db2.gz BKQCVEHKXINRQN-UHFFFAOYSA-N 1 3 376.541 3.561 20 0 GHADHO CCN(Cc1ccc(-n2cncn2)c(C)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818725 872440533 /nfs/dbraw/zinc/44/05/33/872440533.db2.gz DMUCIMJERYNKJM-HSZRJFAPSA-N 1 3 389.547 3.920 20 0 GHADHO CCN(Cc1ccc(-n2cncn2)c(C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818725 872440542 /nfs/dbraw/zinc/44/05/42/872440542.db2.gz DMUCIMJERYNKJM-HSZRJFAPSA-N 1 3 389.547 3.920 20 0 GHADHO O=C(CCc1ccccc1)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000541002738 872721872 /nfs/dbraw/zinc/72/18/72/872721872.db2.gz VTHXOJKGPRWHMB-UHFFFAOYSA-N 1 3 397.607 3.997 20 0 GHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000060954484 882661615 /nfs/dbraw/zinc/66/16/15/882661615.db2.gz CYKLENLWUCICNJ-QFIPXVFZSA-N 1 3 382.552 3.629 20 0 GHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000060954484 882661624 /nfs/dbraw/zinc/66/16/24/882661624.db2.gz CYKLENLWUCICNJ-QFIPXVFZSA-N 1 3 382.552 3.629 20 0 GHADHO Cc1cncc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000550881748 882760897 /nfs/dbraw/zinc/76/08/97/882760897.db2.gz CGPPVZXKUCYRNE-NZQKXSOJSA-N 1 3 379.548 3.969 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000541820912 874336420 /nfs/dbraw/zinc/33/64/20/874336420.db2.gz KUMGRVVQTIMWDX-SIKLNZKXSA-N 1 3 386.584 3.504 20 0 GHADHO C[N@H+](CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC000302926568 874591014 /nfs/dbraw/zinc/59/10/14/874591014.db2.gz DEPGHYFTXHHLLQ-JOCHJYFZSA-N 1 3 386.584 3.777 20 0 GHADHO C[N@@H+](CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC000302926568 874591021 /nfs/dbraw/zinc/59/10/21/874591021.db2.gz DEPGHYFTXHHLLQ-JOCHJYFZSA-N 1 3 386.584 3.777 20 0 GHADHO C[NH+](C)Cc1cccc(CNCc2ccc(I)cc2)c1 ZINC000449221965 874610495 /nfs/dbraw/zinc/61/04/95/874610495.db2.gz VBCAMAPZJWHTTK-UHFFFAOYSA-N 1 3 380.273 3.643 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccnc(OC(F)F)c2)CC1 ZINC000449313102 874720408 /nfs/dbraw/zinc/72/04/08/874720408.db2.gz UPGOWDRAFBGQAA-INIZCTEOSA-N 1 3 375.463 3.868 20 0 GHADHO Cc1ccc(C[C@@H](CO)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1Br ZINC000449601219 875125772 /nfs/dbraw/zinc/12/57/72/875125772.db2.gz RBBGHAAEAAZCNV-QGZVFWFLSA-N 1 3 397.401 3.761 20 0 GHADHO Cc1ccc(C[C@@H](CO)CNC2CC[NH+](C(C)(C)C)CC2)cc1Br ZINC000449601219 875125775 /nfs/dbraw/zinc/12/57/75/875125775.db2.gz RBBGHAAEAAZCNV-QGZVFWFLSA-N 1 3 397.401 3.761 20 0 GHADHO c1ccc(CN2CCCO[C@H](CN3CCC[N@@H+](CC4CCCCC4)CC3)C2)cc1 ZINC000429728151 882901908 /nfs/dbraw/zinc/90/19/08/882901908.db2.gz YIEZDPDLFQOEAM-RUZDIDTESA-N 1 3 399.623 3.866 20 0 GHADHO c1ccc(CN2CCCO[C@H](CN3CCC[N@H+](CC4CCCCC4)CC3)C2)cc1 ZINC000429728151 882901917 /nfs/dbraw/zinc/90/19/17/882901917.db2.gz YIEZDPDLFQOEAM-RUZDIDTESA-N 1 3 399.623 3.866 20 0 GHADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465421235 882905918 /nfs/dbraw/zinc/90/59/18/882905918.db2.gz FTABEGNICQOJQN-RTBURBONSA-N 1 3 392.613 3.647 20 0 GHADHO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000449771608 875370733 /nfs/dbraw/zinc/37/07/33/875370733.db2.gz KDGLRLJMQHYJSG-BFRACDOUSA-N 1 3 394.563 3.531 20 0 GHADHO CC[C@H](C)[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000303956634 876123255 /nfs/dbraw/zinc/12/32/55/876123255.db2.gz KPUWASCURUHUST-UNMCSNQZSA-N 1 3 385.596 3.883 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000173402504 876364345 /nfs/dbraw/zinc/36/43/45/876364345.db2.gz JRHKPUNZTKWSNP-GUDVDZBRSA-N 1 3 392.613 3.645 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000173402504 876364357 /nfs/dbraw/zinc/36/43/57/876364357.db2.gz JRHKPUNZTKWSNP-GUDVDZBRSA-N 1 3 392.613 3.645 20 0 GHADHO Cc1cc(C)c(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000108421010 876467111 /nfs/dbraw/zinc/46/71/11/876467111.db2.gz XYZBZBUJTNVFGQ-QFIPXVFZSA-N 1 3 379.548 3.599 20 0 GHADHO Cc1cc(C)c(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000108421010 876467120 /nfs/dbraw/zinc/46/71/20/876467120.db2.gz XYZBZBUJTNVFGQ-QFIPXVFZSA-N 1 3 379.548 3.599 20 0 GHADHO CC(C)N1CCC([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000850012069 876598037 /nfs/dbraw/zinc/59/80/37/876598037.db2.gz BUGJFLINNZAPBG-UHFFFAOYSA-N 1 3 387.568 3.942 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](O)c2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000850421281 876903132 /nfs/dbraw/zinc/90/31/32/876903132.db2.gz SOUKQJOMQOHCJD-WIBUTAKZSA-N 1 3 378.438 3.780 20 0 GHADHO C[C@@H]1C[C@H](NC[C@@H](O)c2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000850421281 876903139 /nfs/dbraw/zinc/90/31/39/876903139.db2.gz SOUKQJOMQOHCJD-WIBUTAKZSA-N 1 3 378.438 3.780 20 0 GHADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000786784404 876936444 /nfs/dbraw/zinc/93/64/44/876936444.db2.gz UOIJVWHOOCMCCL-GOSISDBHSA-N 1 3 380.536 3.909 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816431 876972168 /nfs/dbraw/zinc/97/21/68/876972168.db2.gz VOCGLFXACFNCLA-TZIWHRDSSA-N 1 3 392.547 3.779 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816431 876972172 /nfs/dbraw/zinc/97/21/72/876972172.db2.gz VOCGLFXACFNCLA-TZIWHRDSSA-N 1 3 392.547 3.779 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000850517247 876988337 /nfs/dbraw/zinc/98/83/37/876988337.db2.gz XCQQUVKMSCWLKA-GOSISDBHSA-N 1 3 394.519 3.601 20 0 GHADHO CC(C)[NH+]1CCN(CCCN2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000451022958 877202916 /nfs/dbraw/zinc/20/29/16/877202916.db2.gz SYDSHUCYMKTCOZ-FQEVSTJZSA-N 1 3 389.975 3.769 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699036 877666140 /nfs/dbraw/zinc/66/61/40/877666140.db2.gz JMGXHMRUOPUCEO-SGKWCMOWSA-N 1 3 385.596 3.615 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699036 877666159 /nfs/dbraw/zinc/66/61/59/877666159.db2.gz JMGXHMRUOPUCEO-SGKWCMOWSA-N 1 3 385.596 3.615 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000175623987 877802180 /nfs/dbraw/zinc/80/21/80/877802180.db2.gz JXUCGCCIYFTJKU-UHFFFAOYSA-N 1 3 394.563 3.554 20 0 GHADHO C[N@H+](C[C@H](O)C1CCCCC1)[C@H]1CCCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000530548091 878035000 /nfs/dbraw/zinc/03/50/00/878035000.db2.gz JUSHMTFVIQEJCL-RJGXRXQPSA-N 1 3 380.617 3.655 20 0 GHADHO C[N@@H+](C[C@H](O)C1CCCCC1)[C@H]1CCCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000530548091 878035015 /nfs/dbraw/zinc/03/50/15/878035015.db2.gz JUSHMTFVIQEJCL-RJGXRXQPSA-N 1 3 380.617 3.655 20 0 GHADHO CN(C[C@H](O)C1CCCCC1)[C@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC000530548091 878035029 /nfs/dbraw/zinc/03/50/29/878035029.db2.gz JUSHMTFVIQEJCL-RJGXRXQPSA-N 1 3 380.617 3.655 20 0 GHADHO CN(C[C@H](O)C1CCCCC1)[C@H]1CCC[N@@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC000530548091 878035033 /nfs/dbraw/zinc/03/50/33/878035033.db2.gz JUSHMTFVIQEJCL-RJGXRXQPSA-N 1 3 380.617 3.655 20 0 GHADHO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000477725229 878079292 /nfs/dbraw/zinc/07/92/92/878079292.db2.gz YOUHWVQDVNBOIT-WBADGQHESA-N 1 3 378.564 3.822 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H]3CCC[C@@]4(CCOC4)O3)C2)s1 ZINC001170085346 878100032 /nfs/dbraw/zinc/10/00/32/878100032.db2.gz HOAFAWIWNXOQCH-DYXWJJEUSA-N 1 3 378.582 3.538 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H]3CCC[C@@]4(CCOC4)O3)C2)s1 ZINC001170085346 878100048 /nfs/dbraw/zinc/10/00/48/878100048.db2.gz HOAFAWIWNXOQCH-DYXWJJEUSA-N 1 3 378.582 3.538 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000667041655 878546264 /nfs/dbraw/zinc/54/62/64/878546264.db2.gz APRLJJFIMXSAFO-BPXKWBHBSA-N 1 3 376.541 3.591 20 0 GHADHO CC(C)[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000538098758 878834788 /nfs/dbraw/zinc/83/47/88/878834788.db2.gz KCIWJGHTKDVDNG-WMZOPIPTSA-N 1 3 385.474 3.580 20 0 GHADHO CC(C)[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000538098758 878834806 /nfs/dbraw/zinc/83/48/06/878834806.db2.gz KCIWJGHTKDVDNG-WMZOPIPTSA-N 1 3 385.474 3.580 20 0 GHADHO CC(C)c1ccc(C[C@H]2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000460980453 878921745 /nfs/dbraw/zinc/92/17/45/878921745.db2.gz TZRKKXXDHAQWCK-OAQYLSRUSA-N 1 3 385.596 3.663 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccccc1O2 ZINC000538291358 879190354 /nfs/dbraw/zinc/19/03/54/879190354.db2.gz RUCWBQANMMXQBD-HKBOAZHASA-N 1 3 380.536 3.945 20 0 GHADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000178770627 879221324 /nfs/dbraw/zinc/22/13/24/879221324.db2.gz RVHANBULBRVODD-SFHVURJKSA-N 1 3 390.591 3.881 20 0 GHADHO Cc1cc(C)cc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1 ZINC000531165480 879247119 /nfs/dbraw/zinc/24/71/19/879247119.db2.gz RGWLKFWGTLRLJG-UHFFFAOYSA-N 1 3 393.575 3.764 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccsc1 ZINC000246542996 879666123 /nfs/dbraw/zinc/66/61/23/879666123.db2.gz WSBVZZKEPOWAJL-NZSAHSFTSA-N 1 3 380.602 3.503 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccsc1 ZINC000246542996 879666132 /nfs/dbraw/zinc/66/61/32/879666132.db2.gz WSBVZZKEPOWAJL-NZSAHSFTSA-N 1 3 380.602 3.503 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246580473 879698925 /nfs/dbraw/zinc/69/89/25/879698925.db2.gz ZHWJHFTVVTXKGZ-VIZSFHNOSA-N 1 3 399.554 3.513 20 0 GHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246580473 879698936 /nfs/dbraw/zinc/69/89/36/879698936.db2.gz ZHWJHFTVVTXKGZ-VIZSFHNOSA-N 1 3 399.554 3.513 20 0 GHADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531715761 880321938 /nfs/dbraw/zinc/32/19/38/880321938.db2.gz UAJXDLSVQIVECM-LQNXUBFPSA-N 1 3 395.522 3.546 20 0 GHADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531715761 880321945 /nfs/dbraw/zinc/32/19/45/880321945.db2.gz UAJXDLSVQIVECM-LQNXUBFPSA-N 1 3 395.522 3.546 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000855345930 880470493 /nfs/dbraw/zinc/47/04/93/880470493.db2.gz KTKRFINYWNGNKL-INIZCTEOSA-N 1 3 395.638 3.557 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000855345930 880470499 /nfs/dbraw/zinc/47/04/99/880470499.db2.gz KTKRFINYWNGNKL-INIZCTEOSA-N 1 3 395.638 3.557 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197629 880603323 /nfs/dbraw/zinc/60/33/23/880603323.db2.gz NZPCFBIROWEZIO-AVRDEDQJSA-N 1 3 390.531 3.505 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197629 880603325 /nfs/dbraw/zinc/60/33/25/880603325.db2.gz NZPCFBIROWEZIO-AVRDEDQJSA-N 1 3 390.531 3.505 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185505598 880603363 /nfs/dbraw/zinc/60/33/63/880603363.db2.gz JPTGHMKGMSETQR-LPOKXYRGSA-N 1 3 375.523 3.846 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185505598 880603370 /nfs/dbraw/zinc/60/33/70/880603370.db2.gz JPTGHMKGMSETQR-LPOKXYRGSA-N 1 3 375.523 3.846 20 0 GHADHO Cc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)sc1Br ZINC000531953911 880814837 /nfs/dbraw/zinc/81/48/37/880814837.db2.gz IOQYCZLGDJDDIC-KBPBESRZSA-N 1 3 375.376 3.798 20 0 GHADHO COc1ccc(-c2ccncc2)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000187168768 881090224 /nfs/dbraw/zinc/09/02/24/881090224.db2.gz KTHSTKHGNUWDRA-RTBURBONSA-N 1 3 383.536 3.736 20 0 GHADHO C[N@H+](CCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC1 ZINC000453592349 881112631 /nfs/dbraw/zinc/11/26/31/881112631.db2.gz DVYULDTUYJHPLD-UHFFFAOYSA-N 1 3 377.330 3.803 20 0 GHADHO C[N@@H+](CCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC1 ZINC000453592349 881112642 /nfs/dbraw/zinc/11/26/42/881112642.db2.gz DVYULDTUYJHPLD-UHFFFAOYSA-N 1 3 377.330 3.803 20 0 GHADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858492522 883144610 /nfs/dbraw/zinc/14/46/10/883144610.db2.gz YGGBWDLOLZUNSC-MOPGFXCFSA-N 1 3 385.552 3.553 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000643455578 912710800 /nfs/dbraw/zinc/71/08/00/912710800.db2.gz YHWYDWZCFSQAOG-CVAIRZPRSA-N 1 3 377.454 3.832 20 0 GHADHO Brc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000193985694 883617986 /nfs/dbraw/zinc/61/79/86/883617986.db2.gz MNGHUWYMTIQLBH-KUHUBIRLSA-N 1 3 379.342 3.527 20 0 GHADHO Cc1cccc(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000130094804 884166389 /nfs/dbraw/zinc/16/63/89/884166389.db2.gz HULWFPBQZGOMQW-LJQANCHMSA-N 1 3 380.536 3.874 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000130198186 884308754 /nfs/dbraw/zinc/30/87/54/884308754.db2.gz QAOALWAVCVZNSY-UHFFFAOYSA-N 1 3 387.527 3.955 20 0 GHADHO FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000806157529 884414202 /nfs/dbraw/zinc/41/42/02/884414202.db2.gz GVHRSXCOLSPHGE-WAPOTWQKSA-N 1 3 382.470 3.987 20 0 GHADHO Cc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c(F)cc1F ZINC001211914450 884837545 /nfs/dbraw/zinc/83/75/45/884837545.db2.gz AXUWRKDNSGHBHO-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c(F)cc1F ZINC001211914450 884837552 /nfs/dbraw/zinc/83/75/52/884837552.db2.gz AXUWRKDNSGHBHO-QGZVFWFLSA-N 1 3 396.441 3.512 20 0 GHADHO C[NH+]1CCC(CNC(=O)Nc2cccc(F)c2Cl)(N2CCCCC2)CC1 ZINC000495347954 885339513 /nfs/dbraw/zinc/33/95/13/885339513.db2.gz KQRJMHLUFNCMNR-UHFFFAOYSA-N 1 3 382.911 3.551 20 0 GHADHO COc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(C)c1OC ZINC001170528426 885555559 /nfs/dbraw/zinc/55/55/59/885555559.db2.gz LTUDJKGHCPGIPF-UHFFFAOYSA-N 1 3 393.531 3.922 20 0 GHADHO Cc1cc2ncc([C@H](C)[NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)c(C)n2n1 ZINC000495433369 885756652 /nfs/dbraw/zinc/75/66/52/885756652.db2.gz NSNPLOOFDKMRDM-LVCYWYKZSA-N 1 3 377.536 3.907 20 0 GHADHO C[NH+](C)C1CCC(N2C[C@H](C(F)(F)F)C[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001168327560 886650893 /nfs/dbraw/zinc/65/08/93/886650893.db2.gz OQXXFHYFZWTHSO-QVOMUQBLSA-N 1 3 393.494 3.637 20 0 GHADHO CCCN(CC1CCCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127504966 887070959 /nfs/dbraw/zinc/07/09/59/887070959.db2.gz NOPKXAUOHNOJMQ-UHFFFAOYSA-N 1 3 378.605 3.547 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](c4ccccc4)CC3(C)C)CC2)CC1 ZINC000915500079 887117517 /nfs/dbraw/zinc/11/75/17/887117517.db2.gz AJZNIFGHIZUKFO-FQEVSTJZSA-N 1 3 398.595 3.523 20 0 GHADHO [NH3+]CCN(C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC001184404225 913188993 /nfs/dbraw/zinc/18/89/93/913188993.db2.gz GJNTZOIVZULVTH-QGZVFWFLSA-N 1 3 389.902 3.683 20 0 GHADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952069 888018743 /nfs/dbraw/zinc/01/87/43/888018743.db2.gz OUZRCIFBRNNHDV-UFYCRDLUSA-N 1 3 381.605 3.981 20 0 GHADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952069 888018756 /nfs/dbraw/zinc/01/87/56/888018756.db2.gz OUZRCIFBRNNHDV-UFYCRDLUSA-N 1 3 381.605 3.981 20 0 GHADHO COCOc1ccc(OC)cc1C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000120579384 888376084 /nfs/dbraw/zinc/37/60/84/888376084.db2.gz LJIHVPZREGRDIN-RTBURBONSA-N 1 3 398.547 3.924 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000459381904 888724409 /nfs/dbraw/zinc/72/44/09/888724409.db2.gz VUVDOTMQLNQUQU-HXUWFJFHSA-N 1 3 381.564 3.786 20 0 GHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532764874 888908591 /nfs/dbraw/zinc/90/85/91/888908591.db2.gz ZDMWNFBVYDBKQN-HSALFYBXSA-N 1 3 397.563 3.838 20 0 GHADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000287385506 913304761 /nfs/dbraw/zinc/30/47/61/913304761.db2.gz ILUUMLWLJOSICI-MOUTVQLLSA-N 1 3 383.580 3.525 20 0 GHADHO O=C(CC[NH2+]C[C@@H]1CCN(C2CC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000644531945 913345924 /nfs/dbraw/zinc/34/59/24/913345924.db2.gz VWKHJEHTRSDQKO-SFHVURJKSA-N 1 3 379.504 3.881 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000532988661 889472231 /nfs/dbraw/zinc/47/22/31/889472231.db2.gz SIZZFOLRAQBDGT-YOEHRIQHSA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000532988661 889472238 /nfs/dbraw/zinc/47/22/38/889472238.db2.gz SIZZFOLRAQBDGT-YOEHRIQHSA-N 1 3 382.346 3.582 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000455114024 890367101 /nfs/dbraw/zinc/36/71/01/890367101.db2.gz KYOMZPKRUXWECO-NRFANRHFSA-N 1 3 386.584 3.559 20 0 GHADHO Cc1c(N)ccnc1-n1ccc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)c2ccnc1-2 ZINC001170665277 890408066 /nfs/dbraw/zinc/40/80/66/890408066.db2.gz IANFAWOUNSRCHZ-CQSZACIVSA-N 1 3 386.459 3.535 20 0 GHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@]23CC[NH2+][C@H]2COCC3)cc1 ZINC001170681665 890765344 /nfs/dbraw/zinc/76/53/44/890765344.db2.gz UHCZJVLZFXIOKL-OZWPHOJSSA-N 1 3 388.515 3.579 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000126929143 890821542 /nfs/dbraw/zinc/82/15/42/890821542.db2.gz KZTJYJJRYHDPIQ-OALUTQOASA-N 1 3 392.613 3.696 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000126929143 890821553 /nfs/dbraw/zinc/82/15/53/890821553.db2.gz KZTJYJJRYHDPIQ-OALUTQOASA-N 1 3 392.613 3.696 20 0 GHADHO COc1ccc([C@H](O)C2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000812774587 890950338 /nfs/dbraw/zinc/95/03/38/890950338.db2.gz RNLFZPBOCAOYSX-DEOSSOPVSA-N 1 3 398.547 3.581 20 0 GHADHO CC(C)COc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873247650 891548718 /nfs/dbraw/zinc/54/87/18/891548718.db2.gz RFPFPOVOPLDRAH-KRWDZBQOSA-N 1 3 379.508 3.612 20 0 GHADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CN1Cc1ccccc1 ZINC000497557689 891858948 /nfs/dbraw/zinc/85/89/48/891858948.db2.gz DJIIKLGMOMEALN-CVDCTZTESA-N 1 3 398.595 3.603 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162141648 892054625 /nfs/dbraw/zinc/05/46/25/892054625.db2.gz FJGVDKODFSILLQ-ZJSXRUAMSA-N 1 3 387.612 3.686 20 0 GHADHO C[NH+](C)CCN1CCC(N[C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497855604 892560598 /nfs/dbraw/zinc/56/05/98/892560598.db2.gz ZAIRDKKGVILLKS-HSZRJFAPSA-N 1 3 378.520 3.533 20 0 GHADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000508709213 892801360 /nfs/dbraw/zinc/80/13/60/892801360.db2.gz GQOPFFKNXBISKH-AWRGLXIESA-N 1 3 377.576 3.933 20 0 GHADHO Cc1nnc(CCN[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)o1 ZINC000933906775 893291921 /nfs/dbraw/zinc/29/19/21/893291921.db2.gz HQTGBAXLODVHEN-GGAORHGYSA-N 1 3 376.504 3.568 20 0 GHADHO Cc1nnc(CCN[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)o1 ZINC000933906775 893291937 /nfs/dbraw/zinc/29/19/37/893291937.db2.gz HQTGBAXLODVHEN-GGAORHGYSA-N 1 3 376.504 3.568 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643973 893675952 /nfs/dbraw/zinc/67/59/52/893675952.db2.gz BSHXBKAEEXXWSP-QMMLZNLJSA-N 1 3 388.939 3.722 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379643973 893675958 /nfs/dbraw/zinc/67/59/58/893675958.db2.gz BSHXBKAEEXXWSP-QMMLZNLJSA-N 1 3 388.939 3.722 20 0 GHADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000126678201 893775068 /nfs/dbraw/zinc/77/50/68/893775068.db2.gz YHRXNDNWQAOMLH-HSZRJFAPSA-N 1 3 379.548 3.610 20 0 GHADHO Cc1c([C@@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)nnn1-c1ccccc1 ZINC000536818772 893883850 /nfs/dbraw/zinc/88/38/50/893883850.db2.gz ADYMTBJHTZXPLY-QGZVFWFLSA-N 1 3 376.508 3.538 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C(C)(C)c1ccccc1 ZINC000536856746 893945758 /nfs/dbraw/zinc/94/57/58/893945758.db2.gz HODJFIBWODABNT-FQEVSTJZSA-N 1 3 393.575 3.968 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4CCC5(CCOCC5)O4)CC[C@H]32)cc1 ZINC000878196630 894085090 /nfs/dbraw/zinc/08/50/90/894085090.db2.gz HHPFNJDDUZGJSZ-XPWALMASSA-N 1 3 384.564 3.701 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4CCC5(CCOCC5)O4)CC[C@H]32)cc1 ZINC000878196630 894085103 /nfs/dbraw/zinc/08/51/03/894085103.db2.gz HHPFNJDDUZGJSZ-XPWALMASSA-N 1 3 384.564 3.701 20 0 GHADHO CN1CC[C@H](C[NH2+]C2CCN(CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537094513 894333174 /nfs/dbraw/zinc/33/31/74/894333174.db2.gz JLAKTVGYRHPTTK-DYESRHJHSA-N 1 3 379.951 3.936 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001135296571 894335026 /nfs/dbraw/zinc/33/50/26/894335026.db2.gz YAMYFUBBRKOREO-MOPGFXCFSA-N 1 3 377.598 3.758 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001135296571 894335039 /nfs/dbraw/zinc/33/50/39/894335039.db2.gz YAMYFUBBRKOREO-MOPGFXCFSA-N 1 3 377.598 3.758 20 0 GHADHO C[C@H]([NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)[C@H](O)Cc1ccccc1 ZINC000537192620 894516226 /nfs/dbraw/zinc/51/62/26/894516226.db2.gz PMEBQLRKYGSJSX-YUXAGFNASA-N 1 3 380.532 3.556 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818431634 896135774 /nfs/dbraw/zinc/13/57/74/896135774.db2.gz QFEKRLSHOQGOFJ-OAHLLOKOSA-N 1 3 390.934 3.996 20 0 GHADHO [NH3+][C@@H](CCC(=O)Nc1cccc(CN2CCC(O)CC2)c1)CC1CCCCC1 ZINC000566289046 896218324 /nfs/dbraw/zinc/21/83/24/896218324.db2.gz OHFHUUPGGOQYOY-FQEVSTJZSA-N 1 3 387.568 3.660 20 0 GHADHO C[C@]1(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN(Cc2ccccc2)C1 ZINC000566319297 896234143 /nfs/dbraw/zinc/23/41/43/896234143.db2.gz BMEQSRFPENPJAD-VWLOTQADSA-N 1 3 391.559 3.679 20 0 GHADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000819015151 896348978 /nfs/dbraw/zinc/34/89/78/896348978.db2.gz DSJFPNXUAQBSHO-UWJYYQICSA-N 1 3 376.903 3.667 20 0 GHADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000819015809 896349442 /nfs/dbraw/zinc/34/94/42/896349442.db2.gz PXUXYRHDFCDSPK-UTKZUKDTSA-N 1 3 376.903 3.667 20 0 GHADHO c1[nH]c(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)nc1-c1ccccc1 ZINC000566542161 896365663 /nfs/dbraw/zinc/36/56/63/896365663.db2.gz FFDSADAZALTLDU-UHFFFAOYSA-N 1 3 390.531 3.884 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000796284603 914135378 /nfs/dbraw/zinc/13/53/78/914135378.db2.gz XOSKKCAORSTUNO-VCWRXUFXSA-N 1 3 397.604 3.549 20 0 GHADHO O=C1NCCN1c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000883286285 897445699 /nfs/dbraw/zinc/44/56/99/897445699.db2.gz OEHQMSQGJSADIZ-MUSUJDOFSA-N 1 3 390.531 3.501 20 0 GHADHO Cc1ccc(-n2cc(CN3CCC(OCCC[NH3+])CC3)c(C(C)(C)C)n2)cc1 ZINC000567872358 897465694 /nfs/dbraw/zinc/46/56/94/897465694.db2.gz ZPOPZPGVDGAACL-UHFFFAOYSA-N 1 3 384.568 3.808 20 0 GHADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000569211946 898432269 /nfs/dbraw/zinc/43/22/69/898432269.db2.gz ALKZAFKOCIBPMT-ISKFKSNPSA-N 1 3 396.579 3.575 20 0 GHADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4Cl)s3)C2)nn1 ZINC000569691675 898889374 /nfs/dbraw/zinc/88/93/74/898889374.db2.gz PFSINPIYUPYJAQ-HNNXBMFYSA-N 1 3 387.940 3.956 20 0 GHADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4Cl)s3)C2)nn1 ZINC000569691675 898889386 /nfs/dbraw/zinc/88/93/86/898889386.db2.gz PFSINPIYUPYJAQ-HNNXBMFYSA-N 1 3 387.940 3.956 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000569876405 899001681 /nfs/dbraw/zinc/00/16/81/899001681.db2.gz VWUCQDFPXFYUSI-HXUWFJFHSA-N 1 3 379.548 3.527 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000155725485 899031222 /nfs/dbraw/zinc/03/12/22/899031222.db2.gz LQQMTEJFZNOZON-HUUCEWRRSA-N 1 3 387.540 3.687 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000570165732 899168996 /nfs/dbraw/zinc/16/89/96/899168996.db2.gz AGEIQBWVODSHSP-XXBNENTESA-N 1 3 391.559 3.622 20 0 GHADHO Fc1c(CNCCCC[NH+]2CCN(c3ccccc3)CC2)ccnc1Cl ZINC000823670704 899181702 /nfs/dbraw/zinc/18/17/02/899181702.db2.gz DERQRUZUDSGVEF-UHFFFAOYSA-N 1 3 376.907 3.566 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000823747624 899228873 /nfs/dbraw/zinc/22/88/73/899228873.db2.gz GPXUKQXPCBJTPG-CVDCTZTESA-N 1 3 391.600 3.878 20 0 GHADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000570443773 899321319 /nfs/dbraw/zinc/32/13/19/899321319.db2.gz ANGNGAVCHWMGSA-FQEVSTJZSA-N 1 3 383.511 3.617 20 0 GHADHO Cc1c(F)cccc1NC(=O)CCNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000570443773 899321333 /nfs/dbraw/zinc/32/13/33/899321333.db2.gz ANGNGAVCHWMGSA-FQEVSTJZSA-N 1 3 383.511 3.617 20 0 GHADHO Cc1c(F)cccc1NC(=O)CCNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570443773 899321350 /nfs/dbraw/zinc/32/13/50/899321350.db2.gz ANGNGAVCHWMGSA-FQEVSTJZSA-N 1 3 383.511 3.617 20 0 GHADHO COc1cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(-c2ccccc2)cc1OC ZINC000570570513 899398363 /nfs/dbraw/zinc/39/83/63/899398363.db2.gz SKNTUXYCIFAWOH-HXUWFJFHSA-N 1 3 396.531 3.558 20 0 GHADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)cc2)CC1 ZINC000844336531 900710775 /nfs/dbraw/zinc/71/07/75/900710775.db2.gz XTMHSIBCMXDXPM-QZTJIDSGSA-N 1 3 399.457 3.515 20 0 GHADHO C[N@H+]1CCCN(c2ccc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)cc2)CC1 ZINC000844336531 900710783 /nfs/dbraw/zinc/71/07/83/900710783.db2.gz XTMHSIBCMXDXPM-QZTJIDSGSA-N 1 3 399.457 3.515 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H](O)COCc1cccs1 ZINC000576100398 901682076 /nfs/dbraw/zinc/68/20/76/901682076.db2.gz LUSQFOGZZWGYBE-RXVVDRJESA-N 1 3 388.577 3.790 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](O)COCc1cccs1 ZINC000576100398 901682086 /nfs/dbraw/zinc/68/20/86/901682086.db2.gz LUSQFOGZZWGYBE-RXVVDRJESA-N 1 3 388.577 3.790 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCCCNC1 ZINC000576219359 901830340 /nfs/dbraw/zinc/83/03/40/901830340.db2.gz YWALNQABPPMKDE-AAEUAGOBSA-N 1 3 377.838 3.808 20 0 GHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@@H]1C ZINC000576265857 901891389 /nfs/dbraw/zinc/89/13/89/901891389.db2.gz CGJCOBBNEZBXQC-HOCLYGCPSA-N 1 3 386.483 3.652 20 0 GHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@@H]1C ZINC000576265857 901891399 /nfs/dbraw/zinc/89/13/99/901891399.db2.gz CGJCOBBNEZBXQC-HOCLYGCPSA-N 1 3 386.483 3.652 20 0 GHADHO COCC1(C)CCN(Cc2cncc(C[NH+]3CCC(C)(COC)CC3)c2)CC1 ZINC000576701220 902202054 /nfs/dbraw/zinc/20/20/54/902202054.db2.gz SUNRAVJRRMDWMI-UHFFFAOYSA-N 1 3 389.584 3.579 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000125729600 902243776 /nfs/dbraw/zinc/24/37/76/902243776.db2.gz PDOFWRIJGQURAD-QGZVFWFLSA-N 1 3 377.960 3.655 20 0 GHADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893135 902338629 /nfs/dbraw/zinc/33/86/29/902338629.db2.gz WLDFKBWLSWMMNG-SDHSZQHLSA-N 1 3 393.575 3.793 20 0 GHADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893135 902338642 /nfs/dbraw/zinc/33/86/42/902338642.db2.gz WLDFKBWLSWMMNG-SDHSZQHLSA-N 1 3 393.575 3.793 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000577055114 902471810 /nfs/dbraw/zinc/47/18/10/902471810.db2.gz IOAGAYIUJMVXGK-WOIUINJBSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000577055114 902471814 /nfs/dbraw/zinc/47/18/14/902471814.db2.gz IOAGAYIUJMVXGK-WOIUINJBSA-N 1 3 388.577 3.777 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccccc4)C[C@@H]3C)CC2)CC1 ZINC000577229981 902602295 /nfs/dbraw/zinc/60/22/95/902602295.db2.gz VADYRZYOFVCVAV-NZQKXSOJSA-N 1 3 397.607 3.977 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)C1 ZINC000779020017 902985299 /nfs/dbraw/zinc/98/52/99/902985299.db2.gz RHQCLYPAUSKEOD-GIVPXCGWSA-N 1 3 387.568 3.711 20 0 GHADHO CC[N@@H+]1CC[C@H](CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)C1 ZINC000779020017 902985305 /nfs/dbraw/zinc/98/53/05/902985305.db2.gz RHQCLYPAUSKEOD-GIVPXCGWSA-N 1 3 387.568 3.711 20 0 GHADHO CC[N@H+]1CC[C@H](CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)C1 ZINC000779020017 902985308 /nfs/dbraw/zinc/98/53/08/902985308.db2.gz RHQCLYPAUSKEOD-GIVPXCGWSA-N 1 3 387.568 3.711 20 0 GHADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000290438866 914681969 /nfs/dbraw/zinc/68/19/69/914681969.db2.gz VMONRIOJCINHQJ-GHTZIAJQSA-N 1 3 384.495 3.568 20 0 GHADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000290438866 914681985 /nfs/dbraw/zinc/68/19/85/914681985.db2.gz VMONRIOJCINHQJ-GHTZIAJQSA-N 1 3 384.495 3.568 20 0 GHADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000887618803 903183215 /nfs/dbraw/zinc/18/32/15/903183215.db2.gz VAGLOZIXBDNPML-SFHVURJKSA-N 1 3 390.597 3.545 20 0 GHADHO [NH3+]C[C@@H]1CN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC12CCOCC2 ZINC000578506632 903915464 /nfs/dbraw/zinc/91/54/64/903915464.db2.gz TUFQSHJKVRJQAJ-ASFVYERGSA-N 1 3 392.543 3.966 20 0 GHADHO C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCC(Cc2ccccc2)CC1 ZINC001148164848 904001287 /nfs/dbraw/zinc/00/12/87/904001287.db2.gz HMTBHQGLPRZRHV-NFBKMPQASA-N 1 3 385.596 3.662 20 0 GHADHO C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCC(Cc2ccccc2)CC1 ZINC001148164848 904001300 /nfs/dbraw/zinc/00/13/00/904001300.db2.gz HMTBHQGLPRZRHV-NFBKMPQASA-N 1 3 385.596 3.662 20 0 GHADHO CN(C)C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000578790304 904123405 /nfs/dbraw/zinc/12/34/05/904123405.db2.gz JLQGBELQYNWJCE-FQEVSTJZSA-N 1 3 388.943 3.504 20 0 GHADHO C[NH+]1C(C)(C)CC(NC[C@@H]2CSCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC001171625063 904887885 /nfs/dbraw/zinc/88/78/85/904887885.db2.gz ALQXGIBKIAGWQQ-MRXNPFEDSA-N 1 3 385.618 3.580 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](N2CCC([NH3+])(CC3CC3)CC2)CC12CCC2 ZINC001171839294 905090096 /nfs/dbraw/zinc/09/00/96/905090096.db2.gz AQBPMIJFAWDTRI-SFHVURJKSA-N 1 3 377.573 3.902 20 0 GHADHO CC1(C)C[C@H](N2CCC(N3CCCOC3=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171985831 905244623 /nfs/dbraw/zinc/24/46/23/905244623.db2.gz CESNLUYCAUJCJH-OAQYLSRUSA-N 1 3 385.552 3.736 20 0 GHADHO CC1(C)C[C@H](N2CCC(N3CCCOC3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171985831 905244637 /nfs/dbraw/zinc/24/46/37/905244637.db2.gz CESNLUYCAUJCJH-OAQYLSRUSA-N 1 3 385.552 3.736 20 0 GHADHO COc1ccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001172063294 905329013 /nfs/dbraw/zinc/32/90/13/905329013.db2.gz BRYJIXAJOWXEEF-YCSHWKNNSA-N 1 3 380.532 3.904 20 0 GHADHO FC1(F)CCCN(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065315 905332206 /nfs/dbraw/zinc/33/22/06/905332206.db2.gz KIOYWSABWNGYDW-MZADTFQBSA-N 1 3 377.523 3.893 20 0 GHADHO FC1(F)CCCN(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065315 905332224 /nfs/dbraw/zinc/33/22/24/905332224.db2.gz KIOYWSABWNGYDW-MZADTFQBSA-N 1 3 377.523 3.893 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC001172069122 905338278 /nfs/dbraw/zinc/33/82/78/905338278.db2.gz ZWNCZRHUEXJIRT-ODAXIHTASA-N 1 3 376.548 3.836 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC001172069122 905338294 /nfs/dbraw/zinc/33/82/94/905338294.db2.gz ZWNCZRHUEXJIRT-ODAXIHTASA-N 1 3 376.548 3.836 20 0 GHADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(I)cc1 ZINC001172104238 905351868 /nfs/dbraw/zinc/35/18/68/905351868.db2.gz DPMSWUXWQITPNU-VDNDLQMASA-N 1 3 384.305 3.957 20 0 GHADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(I)cc1 ZINC001172104238 905351881 /nfs/dbraw/zinc/35/18/81/905351881.db2.gz DPMSWUXWQITPNU-VDNDLQMASA-N 1 3 384.305 3.957 20 0 GHADHO CN(C1CC1)C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172105660 905353495 /nfs/dbraw/zinc/35/34/95/905353495.db2.gz JZEBPYMYDZEVHQ-ACDBMABISA-N 1 3 377.573 3.866 20 0 GHADHO COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(Br)c1 ZINC001172115091 905367969 /nfs/dbraw/zinc/36/79/69/905367969.db2.gz QQHFKPPJSJGERH-ZJPYXAASSA-N 1 3 395.341 3.658 20 0 GHADHO CCCCCC[C@H](CCCC)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172513294 905607306 /nfs/dbraw/zinc/60/73/06/905607306.db2.gz MWXILUWVSPDWBK-SFHVURJKSA-N 1 3 392.588 3.853 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](NC(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172584377 905684672 /nfs/dbraw/zinc/68/46/72/905684672.db2.gz NGNXXLFXFWMQLB-WMZOPIPTSA-N 1 3 379.520 3.902 20 0 GHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001172960610 906070731 /nfs/dbraw/zinc/07/07/31/906070731.db2.gz ZKGVWKFXXUTESW-OKZBNKHCSA-N 1 3 393.597 3.757 20 0 GHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001172960610 906070746 /nfs/dbraw/zinc/07/07/46/906070746.db2.gz ZKGVWKFXXUTESW-OKZBNKHCSA-N 1 3 393.597 3.757 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H](N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662260 906598264 /nfs/dbraw/zinc/59/82/64/906598264.db2.gz WQHVPQJXIZAXAM-GHTZIAJQSA-N 1 3 376.516 3.844 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H](N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662260 906598274 /nfs/dbraw/zinc/59/82/74/906598274.db2.gz WQHVPQJXIZAXAM-GHTZIAJQSA-N 1 3 376.516 3.844 20 0 GHADHO COc1cc(C)c([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000182226108 907161392 /nfs/dbraw/zinc/16/13/92/907161392.db2.gz UIBOZFDHIFRWMY-GHTZIAJQSA-N 1 3 398.547 3.820 20 0 GHADHO COc1cc(C)c([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000182226108 907161399 /nfs/dbraw/zinc/16/13/99/907161399.db2.gz UIBOZFDHIFRWMY-GHTZIAJQSA-N 1 3 398.547 3.820 20 0 GHADHO O=S1(=O)CCC[C@H](NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000182331696 907182964 /nfs/dbraw/zinc/18/29/64/907182964.db2.gz FMIOGHHZIRIDCA-QFIPXVFZSA-N 1 3 398.572 3.616 20 0 GHADHO Cn1ccnc1[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000183293351 907364385 /nfs/dbraw/zinc/36/43/85/907364385.db2.gz KFGWCODPVKRGBR-JOCHJYFZSA-N 1 3 382.552 3.532 20 0 GHADHO CN(c1ccccc1CNCc1cccc2c1CCOC2)C1CC[NH+](C)CC1 ZINC000631244279 907645847 /nfs/dbraw/zinc/64/58/47/907645847.db2.gz PWFBWHHDBMKKIF-UHFFFAOYSA-N 1 3 379.548 3.580 20 0 GHADHO Cc1ccc([C@@H](C)N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000299479628 921362841 /nfs/dbraw/zinc/36/28/41/921362841.db2.gz BPWZDMRRYGVWGK-LJQANCHMSA-N 1 3 386.584 3.564 20 0 GHADHO CC1(C)OCc2cc(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)ccc2O1 ZINC000187511824 908098417 /nfs/dbraw/zinc/09/84/17/908098417.db2.gz DSUPFDIMILSJNT-QFIPXVFZSA-N 1 3 396.531 3.578 20 0 GHADHO CC1(C)OCc2cc(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)ccc2O1 ZINC000187511824 908098433 /nfs/dbraw/zinc/09/84/33/908098433.db2.gz DSUPFDIMILSJNT-QFIPXVFZSA-N 1 3 396.531 3.578 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)ccc3NC3CC3)CC2)CC1 ZINC000633914090 908532768 /nfs/dbraw/zinc/53/27/68/908532768.db2.gz IWABZWKIMHBJDB-UHFFFAOYSA-N 1 3 388.531 3.535 20 0 GHADHO CC[NH+]1CCN(c2cccc(NC3CCN(CCC(F)(F)F)CC3)c2)CC1 ZINC000191884806 908690830 /nfs/dbraw/zinc/69/08/30/908690830.db2.gz ITATWTVPMTZWSJ-UHFFFAOYSA-N 1 3 384.490 3.657 20 0 GHADHO c1ccc(COc2ccccc2CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000635002986 909097978 /nfs/dbraw/zinc/09/79/78/909097978.db2.gz CYXOYMQVZPGMCA-XPWALMASSA-N 1 3 380.532 3.555 20 0 GHADHO CN(CC1CC[NH+](C)CC1)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178589806 909110754 /nfs/dbraw/zinc/11/07/54/909110754.db2.gz NUFBESGOKHKKEE-UHFFFAOYSA-N 1 3 391.559 3.508 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H](c3nc(CC)no3)C2)CC1 ZINC001179722532 909682866 /nfs/dbraw/zinc/68/28/66/909682866.db2.gz MJGVEZAAHNTJIA-ICSRJNTNSA-N 1 3 397.567 3.590 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000268811395 910029240 /nfs/dbraw/zinc/02/92/40/910029240.db2.gz UDTHQMIJHNAVIZ-PGRDOPGGSA-N 1 3 375.520 3.718 20 0 GHADHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000268811395 910029259 /nfs/dbraw/zinc/02/92/59/910029259.db2.gz UDTHQMIJHNAVIZ-PGRDOPGGSA-N 1 3 375.520 3.718 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000268811395 910029268 /nfs/dbraw/zinc/02/92/68/910029268.db2.gz UDTHQMIJHNAVIZ-PGRDOPGGSA-N 1 3 375.520 3.718 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000268822916 910034215 /nfs/dbraw/zinc/03/42/15/910034215.db2.gz YDCIEHIAXYDFOJ-HYBUGGRVSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000268822916 910034233 /nfs/dbraw/zinc/03/42/33/910034233.db2.gz YDCIEHIAXYDFOJ-HYBUGGRVSA-N 1 3 391.559 3.809 20 0 GHADHO CC(C)N1CCN(C2CC[NH+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000270940481 910736304 /nfs/dbraw/zinc/73/63/04/910736304.db2.gz RJAXXCYWFDSHMH-QGZVFWFLSA-N 1 3 381.511 3.839 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000271464976 910914501 /nfs/dbraw/zinc/91/45/01/910914501.db2.gz GNJRTDTXXZNXNR-RZAIGCCYSA-N 1 3 385.321 3.617 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000801923288 921631542 /nfs/dbraw/zinc/63/15/42/921631542.db2.gz CZGWXAOODBUZGF-VQTJNVASSA-N 1 3 379.589 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000801923288 921631548 /nfs/dbraw/zinc/63/15/48/921631548.db2.gz CZGWXAOODBUZGF-VQTJNVASSA-N 1 3 379.589 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000801923288 921631556 /nfs/dbraw/zinc/63/15/56/921631556.db2.gz CZGWXAOODBUZGF-VQTJNVASSA-N 1 3 379.589 3.831 20 0 GHADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001181996059 911117091 /nfs/dbraw/zinc/11/70/91/911117091.db2.gz PYERJHHDKGPUBE-IBGZPJMESA-N 1 3 397.485 3.660 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(NC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000291103328 914978292 /nfs/dbraw/zinc/97/82/92/914978292.db2.gz JOJVEJWKARACRE-GCJKJVERSA-N 1 3 380.536 3.923 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000291103328 914978294 /nfs/dbraw/zinc/97/82/94/914978294.db2.gz JOJVEJWKARACRE-GCJKJVERSA-N 1 3 380.536 3.923 20 0 GHADHO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000647552351 915321665 /nfs/dbraw/zinc/32/16/65/915321665.db2.gz TYYZEHXWEDZANQ-SJORKVTESA-N 1 3 394.519 3.772 20 0 GHADHO [NH3+]Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000647607188 915337453 /nfs/dbraw/zinc/33/74/53/915337453.db2.gz AZSVVALYDAFAHX-IBGZPJMESA-N 1 3 377.410 3.538 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000647977239 915459383 /nfs/dbraw/zinc/45/93/83/915459383.db2.gz ZKPULEQIAOVTCP-ZULIPRJHSA-N 1 3 383.536 3.710 20 0 GHADHO CN1CCC(N(C(=O)c2ccc(C3CC[NH+](C)CC3)cc2)C2CCCC2)CC1 ZINC001188313448 915881354 /nfs/dbraw/zinc/88/13/54/915881354.db2.gz QQKHTNBFSPWUKI-UHFFFAOYSA-N 1 3 383.580 3.975 20 0 GHADHO CC(C)N(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649065367 916008614 /nfs/dbraw/zinc/00/86/14/916008614.db2.gz XXKGHBJEUMKWKJ-QHCPKHFHSA-N 1 3 379.548 3.873 20 0 GHADHO CC(C)N(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649065367 916008632 /nfs/dbraw/zinc/00/86/32/916008632.db2.gz XXKGHBJEUMKWKJ-QHCPKHFHSA-N 1 3 379.548 3.873 20 0 GHADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCc1c(C)noc1C ZINC000295036369 917103841 /nfs/dbraw/zinc/10/38/41/917103841.db2.gz OHUBXVSGZIELMR-YQQQUEKLSA-N 1 3 385.508 3.594 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccn2)cc1CN1CCCCC1 ZINC000775379839 917306884 /nfs/dbraw/zinc/30/68/84/917306884.db2.gz FRQYKCZDDJBASW-SFHVURJKSA-N 1 3 396.535 3.756 20 0 GHADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@H](C(=O)N2CCCC2)C(C)C)ccc1OC ZINC000775412213 917558013 /nfs/dbraw/zinc/55/80/13/917558013.db2.gz ZZTOQEZGHZLGLU-GCJKJVERSA-N 1 3 389.584 3.835 20 0 GHADHO Cc1cc2ccccc2c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000296699405 918596510 /nfs/dbraw/zinc/59/65/10/918596510.db2.gz ASVKEVMVIOCYIS-UHFFFAOYSA-N 1 3 380.536 3.828 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000902504559 922244226 /nfs/dbraw/zinc/24/42/26/922244226.db2.gz OJWQOIYOTAOKQO-XVWGUNQUSA-N 1 3 393.531 3.866 20 0 GHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902504213 922244340 /nfs/dbraw/zinc/24/43/40/922244340.db2.gz MPAKQIUSBVAPSF-PFTWBPNJSA-N 1 3 391.515 3.823 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199836 922848336 /nfs/dbraw/zinc/84/83/36/922848336.db2.gz NHQPRYVRIJZIDA-XUZZJYLKSA-N 1 3 398.522 3.650 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199836 922848347 /nfs/dbraw/zinc/84/83/47/922848347.db2.gz NHQPRYVRIJZIDA-XUZZJYLKSA-N 1 3 398.522 3.650 20 0 GHADHO C[C@H](NCc1cccc(NS(=O)(=O)C2CC2)c1)c1cccc(C[NH+](C)C)c1 ZINC000903425335 923016300 /nfs/dbraw/zinc/01/63/00/923016300.db2.gz AUJHDRZAVZXLKH-INIZCTEOSA-N 1 3 387.549 3.503 20 0 GHADHO c1nnc([C@H](N[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455222 923036387 /nfs/dbraw/zinc/03/63/87/923036387.db2.gz JTNNUOKDSZRUHR-GSPCLOLRSA-N 1 3 387.531 3.784 20 0 GHADHO c1nnc([C@H](N[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455222 923036398 /nfs/dbraw/zinc/03/63/98/923036398.db2.gz JTNNUOKDSZRUHR-GSPCLOLRSA-N 1 3 387.531 3.784 20 0 GHADHO Cc1c(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)nc2ccccn12 ZINC001137269662 924169274 /nfs/dbraw/zinc/16/92/74/924169274.db2.gz VVFLUMSRUMOXEQ-UHFFFAOYSA-N 1 3 396.560 3.571 20 0 GHADHO CC1(C)OCc2cc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)ccc2O1 ZINC000827012294 924544711 /nfs/dbraw/zinc/54/47/11/924544711.db2.gz WEQZUBSEBCPJQZ-UHFFFAOYSA-N 1 3 381.520 3.729 20 0 GHADHO c1ccc2c(c1)CO[C@@]21CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681167197 925747725 /nfs/dbraw/zinc/74/77/25/925747725.db2.gz OBJMDEVIEMMYRO-XMMPIXPASA-N 1 3 378.516 3.793 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000411477608 926445537 /nfs/dbraw/zinc/44/55/37/926445537.db2.gz IQXYXYNTHWDBHW-HXUWFJFHSA-N 1 3 397.485 3.735 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000726241356 926606510 /nfs/dbraw/zinc/60/65/10/926606510.db2.gz FLDQCDXHNTWUNR-GHTZIAJQSA-N 1 3 392.632 3.697 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)ccc1OC ZINC000374989726 927783669 /nfs/dbraw/zinc/78/36/69/927783669.db2.gz KRIYLBKCQXYNJQ-WEYGHZABSA-N 1 3 376.541 3.526 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CC2([C@H](O)c3ccccc3)CC2)CC1 ZINC000752099264 928613154 /nfs/dbraw/zinc/61/31/54/928613154.db2.gz AJVPQSZVQGOFSR-XMMPIXPASA-N 1 3 393.575 3.822 20 0 GHADHO C[C@@H](CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000544330555 929059387 /nfs/dbraw/zinc/05/93/87/929059387.db2.gz KOCPLNZIOOAYPA-SFTDATJTSA-N 1 3 386.584 3.557 20 0 GHADHO CCN(Cc1ccccc1)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000469758457 930140957 /nfs/dbraw/zinc/14/09/57/930140957.db2.gz RFQXQAJTLPAJCA-NHCUHLMSSA-N 1 3 393.575 3.781 20 0 GHADHO CC(C)N(C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)C1CCCC1 ZINC000469786785 930161842 /nfs/dbraw/zinc/16/18/42/930161842.db2.gz KXPZEOLSUVTZNI-PMACEKPBSA-N 1 3 385.596 3.912 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470374390 930569450 /nfs/dbraw/zinc/56/94/50/930569450.db2.gz PGGWEOGXFVQBIR-ROUUACIJSA-N 1 3 377.532 3.698 20 0 GHADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000781425757 930840361 /nfs/dbraw/zinc/84/03/61/930840361.db2.gz ILZZGIYBCLQGRH-MNHFLQJXSA-N 1 3 385.596 3.519 20 0 GHADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000781425757 930840367 /nfs/dbraw/zinc/84/03/67/930840367.db2.gz ILZZGIYBCLQGRH-MNHFLQJXSA-N 1 3 385.596 3.519 20 0 GHADHO CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470892456 931006760 /nfs/dbraw/zinc/00/67/60/931006760.db2.gz RZTUVMVQVCBTHB-LEWJYISDSA-N 1 3 388.600 3.659 20 0 GHADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000558476901 932024945 /nfs/dbraw/zinc/02/49/45/932024945.db2.gz ZJABLCYBJZJVES-IXTNQLDESA-N 1 3 383.580 3.618 20 0 GHADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000558476901 932024952 /nfs/dbraw/zinc/02/49/52/932024952.db2.gz ZJABLCYBJZJVES-IXTNQLDESA-N 1 3 383.580 3.618 20 0 GHADHO CCN(CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000798273033 932585960 /nfs/dbraw/zinc/58/59/60/932585960.db2.gz OTNXJJVDDHHDOQ-UYAOXDASSA-N 1 3 375.557 3.886 20 0 GHADHO CCN(CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000798273033 932585966 /nfs/dbraw/zinc/58/59/66/932585966.db2.gz OTNXJJVDDHHDOQ-UYAOXDASSA-N 1 3 375.557 3.886 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177374 932899053 /nfs/dbraw/zinc/89/90/53/932899053.db2.gz NBQMDXACAWEMTJ-DLBZAZTESA-N 1 3 377.960 3.714 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531006 933315219 /nfs/dbraw/zinc/31/52/19/933315219.db2.gz VYJGSRFODIGAHU-PXARDIRTSA-N 1 3 385.533 3.813 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531006 933315228 /nfs/dbraw/zinc/31/52/28/933315228.db2.gz VYJGSRFODIGAHU-PXARDIRTSA-N 1 3 385.533 3.813 20 0 GHADHO C[NH+]1CCN(Cc2cccc(CN[C@H](c3ccccc3)c3ccccn3)c2)CC1 ZINC001116505973 933598492 /nfs/dbraw/zinc/59/84/92/933598492.db2.gz XLKKOFFRXGNIRZ-RUZDIDTESA-N 1 3 386.543 3.708 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561060513 933828372 /nfs/dbraw/zinc/82/83/72/933828372.db2.gz LVMIOJGWVVOPON-WOJBJXKFSA-N 1 3 383.561 3.523 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561060513 933828381 /nfs/dbraw/zinc/82/83/81/933828381.db2.gz LVMIOJGWVVOPON-WOJBJXKFSA-N 1 3 383.561 3.523 20 0 GHADHO CC[NH+]1CCC(CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000561485103 934205819 /nfs/dbraw/zinc/20/58/19/934205819.db2.gz AXPQWMUMSCTMLM-LJQANCHMSA-N 1 3 392.613 3.552 20 0 GHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000561976385 934601875 /nfs/dbraw/zinc/60/18/75/934601875.db2.gz CCMOTFBHKRINFI-UHFFFAOYSA-N 1 3 377.479 3.683 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562117134 934708410 /nfs/dbraw/zinc/70/84/10/934708410.db2.gz GBWGLLFSQLKLPO-UHFFFAOYSA-N 1 3 391.559 3.877 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(Cl)n1 ZINC000828622533 935677270 /nfs/dbraw/zinc/67/72/70/935677270.db2.gz ZQSOSGYDMHPDMZ-HKUYNNGSSA-N 1 3 392.975 3.548 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001220706395 1032075319 /nfs/dbraw/zinc/07/53/19/1032075319.db2.gz IBZXHTISERWTAE-OYRHEFFESA-N 1 3 392.632 3.652 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001220706395 1032075333 /nfs/dbraw/zinc/07/53/33/1032075333.db2.gz IBZXHTISERWTAE-OYRHEFFESA-N 1 3 392.632 3.652 20 0 GHADHO Cc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc(C)c1F ZINC001211910530 1014572990 /nfs/dbraw/zinc/57/29/90/1014572990.db2.gz FRSOWEPYIFANLQ-IBGZPJMESA-N 1 3 392.478 3.682 20 0 GHADHO Cc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc(C)c1F ZINC001211910530 1014573004 /nfs/dbraw/zinc/57/30/04/1014573004.db2.gz FRSOWEPYIFANLQ-IBGZPJMESA-N 1 3 392.478 3.682 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)N2CCCC2)cc1 ZINC001626102907 1014886541 /nfs/dbraw/zinc/88/65/41/1014886541.db2.gz XCFYIKMMOJOTBU-SGNDLWITSA-N 1 3 391.559 3.594 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)N2CCCC2)cc1 ZINC001626102907 1014886560 /nfs/dbraw/zinc/88/65/60/1014886560.db2.gz XCFYIKMMOJOTBU-SGNDLWITSA-N 1 3 391.559 3.594 20 0 GHADHO [NH3+][C@@]12CC[C@@](NC(=O)C3CN(C(c4ccccc4)c4ccccc4)C3)(C1)CCC2 ZINC001220775041 1032113477 /nfs/dbraw/zinc/11/34/77/1032113477.db2.gz GGUWRVMGHPOOTQ-LOSJGSFVSA-N 1 3 389.543 3.628 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001226803934 1032135655 /nfs/dbraw/zinc/13/56/55/1032135655.db2.gz CHMASEVKKONPDU-KBPBESRZSA-N 1 3 389.371 3.626 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001226803934 1032135660 /nfs/dbraw/zinc/13/56/60/1032135660.db2.gz CHMASEVKKONPDU-KBPBESRZSA-N 1 3 389.371 3.626 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC001220883020 1032173351 /nfs/dbraw/zinc/17/33/51/1032173351.db2.gz GHOPOEPBOBTYOT-AUSIDOKSSA-N 1 3 398.595 3.735 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC001220883020 1032173366 /nfs/dbraw/zinc/17/33/66/1032173366.db2.gz GHOPOEPBOBTYOT-AUSIDOKSSA-N 1 3 398.595 3.735 20 0 GHADHO CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001227447853 1032423992 /nfs/dbraw/zinc/42/39/92/1032423992.db2.gz WIPNAQIAXPRQSN-NHCUHLMSSA-N 1 3 388.600 3.659 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001221537097 1032452674 /nfs/dbraw/zinc/45/26/74/1032452674.db2.gz INOAVTDGALTRKG-VJBMBRPKSA-N 1 3 394.563 3.560 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001221537097 1032452678 /nfs/dbraw/zinc/45/26/78/1032452678.db2.gz INOAVTDGALTRKG-VJBMBRPKSA-N 1 3 394.563 3.560 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001221794846 1032538548 /nfs/dbraw/zinc/53/85/48/1032538548.db2.gz YOJCPSISYGICOR-GGAORHGYSA-N 1 3 386.584 3.605 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001221794846 1032538555 /nfs/dbraw/zinc/53/85/55/1032538555.db2.gz YOJCPSISYGICOR-GGAORHGYSA-N 1 3 386.584 3.605 20 0 GHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001221794847 1032538644 /nfs/dbraw/zinc/53/86/44/1032538644.db2.gz YOJCPSISYGICOR-GMAHTHKFSA-N 1 3 386.584 3.605 20 0 GHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001221794847 1032538648 /nfs/dbraw/zinc/53/86/48/1032538648.db2.gz YOJCPSISYGICOR-GMAHTHKFSA-N 1 3 386.584 3.605 20 0 GHADHO C[NH+](C)C1(C)CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001228043220 1032750751 /nfs/dbraw/zinc/75/07/51/1032750751.db2.gz LYZYVOHLSRFMAH-QKDPSFTKSA-N 1 3 386.584 3.776 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000563377188 1018909053 /nfs/dbraw/zinc/90/90/53/1018909053.db2.gz RQSLXDXTVTXTJN-XMMPIXPASA-N 1 3 397.607 3.807 20 0 GHADHO CN(CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961794 1020784980 /nfs/dbraw/zinc/78/49/80/1020784980.db2.gz ILVFVKJOQZCKDC-OXJNMPFZSA-N 1 3 397.485 3.689 20 0 GHADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961794 1020784986 /nfs/dbraw/zinc/78/49/86/1020784986.db2.gz ILVFVKJOQZCKDC-OXJNMPFZSA-N 1 3 397.485 3.689 20 0 GHADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccccc3-c3cccnc3)C2)C1 ZINC001140314602 1021380403 /nfs/dbraw/zinc/38/04/03/1021380403.db2.gz DQUKGIIRNVTUSA-ILBGXUMGSA-N 1 3 391.559 3.929 20 0 GHADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccccc3-c3cccnc3)C2)C1 ZINC001140314602 1021380419 /nfs/dbraw/zinc/38/04/19/1021380419.db2.gz DQUKGIIRNVTUSA-ILBGXUMGSA-N 1 3 391.559 3.929 20 0 GHADHO CN1CCN(Cc2cccc(Nc3cccc4c3OCC[C@H]4[NH+](C)C)c2)CC1 ZINC001204573561 1032979650 /nfs/dbraw/zinc/97/96/50/1032979650.db2.gz BMIPCXDVTYRBRI-JOCHJYFZSA-N 1 3 380.536 3.563 20 0 GHADHO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc(Cl)nc2c1CCNC2 ZINC001156341732 1032994583 /nfs/dbraw/zinc/99/45/83/1032994583.db2.gz NYVRCAGARXTVRD-KKSFZXQISA-N 1 3 384.955 3.728 20 0 GHADHO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc(Cl)nc2c1CCNC2 ZINC001156341732 1032994586 /nfs/dbraw/zinc/99/45/86/1032994586.db2.gz NYVRCAGARXTVRD-KKSFZXQISA-N 1 3 384.955 3.728 20 0 GHADHO C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4CC[C@@H](N5CCOCC5)CC4)cc32)CC1 ZINC001228831123 1033125836 /nfs/dbraw/zinc/12/58/36/1033125836.db2.gz ZWOTVUVBEMCEPS-BGYRXZFFSA-N 1 3 397.563 3.999 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1C ZINC001138137439 1024203939 /nfs/dbraw/zinc/20/39/39/1024203939.db2.gz NJODGLLDERIJKQ-UHFFFAOYSA-N 1 3 399.535 3.889 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1C ZINC001138137439 1024203953 /nfs/dbraw/zinc/20/39/53/1024203953.db2.gz NJODGLLDERIJKQ-UHFFFAOYSA-N 1 3 399.535 3.889 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC001204984598 1033194471 /nfs/dbraw/zinc/19/44/71/1033194471.db2.gz LROPZBDIBGTESW-OBXNSHGQSA-N 1 3 377.960 3.542 20 0 GHADHO CC(C)[NH+]1CCN(Cc2ccc(-n3c4ccccc4nc3[C@H](C)N)c(F)c2)CC1 ZINC001162777646 1025916089 /nfs/dbraw/zinc/91/60/89/1025916089.db2.gz DWXHAQJCCHLPMZ-KRWDZBQOSA-N 1 3 395.526 3.710 20 0 GHADHO Cc1cc(N2CCN(c3ncccc3CN3CCCC3)CC2)c2ccccc2[nH+]1 ZINC001164202997 1026450201 /nfs/dbraw/zinc/45/02/01/1026450201.db2.gz JPJWLKVDTFTFJZ-UHFFFAOYSA-N 1 3 387.531 3.861 20 0 GHADHO Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001140022069 1026808050 /nfs/dbraw/zinc/80/80/50/1026808050.db2.gz YUJKQDBMRUGOJF-HSZRJFAPSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccccc1C[N@@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001140022069 1026808061 /nfs/dbraw/zinc/80/80/61/1026808061.db2.gz YUJKQDBMRUGOJF-HSZRJFAPSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccccc1CN1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001140022069 1026808071 /nfs/dbraw/zinc/80/80/71/1026808071.db2.gz YUJKQDBMRUGOJF-HSZRJFAPSA-N 1 3 382.552 3.504 20 0 GHADHO Cc1nccn1-c1ccccc1CN1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001140022069 1026808083 /nfs/dbraw/zinc/80/80/83/1026808083.db2.gz YUJKQDBMRUGOJF-HSZRJFAPSA-N 1 3 382.552 3.504 20 0 GHADHO C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000840865726 1027902151 /nfs/dbraw/zinc/90/21/51/1027902151.db2.gz VFMSEARLGKMRTR-BWAGFHJFSA-N 1 3 381.520 3.607 20 0 GHADHO C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000840865738 1027902253 /nfs/dbraw/zinc/90/22/53/1027902253.db2.gz VFMSEARLGKMRTR-YUXAGFNASA-N 1 3 381.520 3.607 20 0 GHADHO CC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC001211343272 1027915323 /nfs/dbraw/zinc/91/53/23/1027915323.db2.gz UJPDRBXWNBJUEL-QFIPXVFZSA-N 1 3 398.595 3.874 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1CN1CCCCC1 ZINC000840887739 1027923648 /nfs/dbraw/zinc/92/36/48/1027923648.db2.gz OBNNQQRRAZSXHQ-ZTNFWEORSA-N 1 3 382.495 3.880 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC001461349149 1069512687 /nfs/dbraw/zinc/51/26/87/1069512687.db2.gz ZHDICGKCXDXZAS-IRXDYDNUSA-N 1 3 387.749 3.570 20 0 GHADHO Cc1cccc(-c2n[nH]cc2CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC001461377787 1069524072 /nfs/dbraw/zinc/52/40/72/1069524072.db2.gz FLOIBIBXULCYNC-HSZRJFAPSA-N 1 3 390.531 3.632 20 0 GHADHO Cc1cccc(-c2n[nH]cc2CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC001461377787 1069524080 /nfs/dbraw/zinc/52/40/80/1069524080.db2.gz FLOIBIBXULCYNC-HSZRJFAPSA-N 1 3 390.531 3.632 20 0 GHADHO CN(C)Cc1ccc(-c2noc(-c3cccc(OC4CC[NH2+]CC4)c3)n2)cc1 ZINC001216939317 1030013241 /nfs/dbraw/zinc/01/32/41/1030013241.db2.gz AGVHSQUDORTDEM-UHFFFAOYSA-N 1 3 378.476 3.596 20 0 GHADHO CCOc1c(Br)cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC001461604602 1069636165 /nfs/dbraw/zinc/63/61/65/1069636165.db2.gz HFKRBUAFTFNCOY-IAGOWNOFSA-N 1 3 397.357 3.963 20 0 GHADHO CCOc1c(Br)cc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC001461604602 1069636169 /nfs/dbraw/zinc/63/61/69/1069636169.db2.gz HFKRBUAFTFNCOY-IAGOWNOFSA-N 1 3 397.357 3.963 20 0 GHADHO [NH3+]CC1(F)CCN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC1 ZINC001222548454 1030192472 /nfs/dbraw/zinc/19/24/72/1030192472.db2.gz MRIPKPLCRGJVOG-UHFFFAOYSA-N 1 3 383.389 3.910 20 0 GHADHO COC1CCC(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574306 1030205722 /nfs/dbraw/zinc/20/57/22/1030205722.db2.gz HTYLTOLPBFUMSF-GTMAMOSYSA-N 1 3 386.580 3.995 20 0 GHADHO COC1CCC(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574306 1030205732 /nfs/dbraw/zinc/20/57/32/1030205732.db2.gz HTYLTOLPBFUMSF-GTMAMOSYSA-N 1 3 386.580 3.995 20 0 GHADHO c1[nH]c2cnccc2c1CN1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591621 1030218634 /nfs/dbraw/zinc/21/86/34/1030218634.db2.gz XKVWYWJMFAJJCJ-NRFANRHFSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]c2cnccc2c1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222591621 1030218650 /nfs/dbraw/zinc/21/86/50/1030218650.db2.gz XKVWYWJMFAJJCJ-NRFANRHFSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]c2cnccc2c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222591621 1030218663 /nfs/dbraw/zinc/21/86/63/1030218663.db2.gz XKVWYWJMFAJJCJ-NRFANRHFSA-N 1 3 390.531 3.866 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001150152570 1030430384 /nfs/dbraw/zinc/43/03/84/1030430384.db2.gz AZMHTLXXOBILIW-AGILITTLSA-N 1 3 391.559 3.535 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150152570 1030430393 /nfs/dbraw/zinc/43/03/93/1030430393.db2.gz AZMHTLXXOBILIW-AGILITTLSA-N 1 3 391.559 3.535 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001223507488 1030609514 /nfs/dbraw/zinc/60/95/14/1030609514.db2.gz DRDJRKYHYNZJFW-IEBWSBKVSA-N 1 3 390.597 3.591 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001223507488 1030609525 /nfs/dbraw/zinc/60/95/25/1030609525.db2.gz DRDJRKYHYNZJFW-IEBWSBKVSA-N 1 3 390.597 3.591 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)cc2ncccc21 ZINC001219188492 1031296952 /nfs/dbraw/zinc/29/69/52/1031296952.db2.gz MKSVRCUTCFOYKI-HNNXBMFYSA-N 1 3 382.430 3.688 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001153638972 1031683845 /nfs/dbraw/zinc/68/38/45/1031683845.db2.gz ZBLYVUDFUJHSBQ-UWJYYQICSA-N 1 3 376.504 3.541 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001153638972 1031683858 /nfs/dbraw/zinc/68/38/58/1031683858.db2.gz ZBLYVUDFUJHSBQ-UWJYYQICSA-N 1 3 376.504 3.541 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220062308 1031760547 /nfs/dbraw/zinc/76/05/47/1031760547.db2.gz UKVLIHFHPNNSOU-WMZHIEFXSA-N 1 3 379.548 3.604 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220062308 1031760562 /nfs/dbraw/zinc/76/05/62/1031760562.db2.gz UKVLIHFHPNNSOU-WMZHIEFXSA-N 1 3 379.548 3.604 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220062309 1031761482 /nfs/dbraw/zinc/76/14/82/1031761482.db2.gz UKVLIHFHPNNSOU-XXBNENTESA-N 1 3 379.548 3.604 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220062309 1031761502 /nfs/dbraw/zinc/76/15/02/1031761502.db2.gz UKVLIHFHPNNSOU-XXBNENTESA-N 1 3 379.548 3.604 20 0 GHADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC001205446408 1033415024 /nfs/dbraw/zinc/41/50/24/1033415024.db2.gz KHBCDMAUTRFVFY-ZRGHIBABSA-N 1 3 399.579 3.886 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC001205554148 1033466295 /nfs/dbraw/zinc/46/62/95/1033466295.db2.gz AKSNLTJUAPPELB-GYCHQTGJSA-N 1 3 377.573 3.819 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC001205554148 1033466301 /nfs/dbraw/zinc/46/63/01/1033466301.db2.gz AKSNLTJUAPPELB-GYCHQTGJSA-N 1 3 377.573 3.819 20 0 GHADHO O=C([C@H]1CC2(CC[NH2+]CC2)c2ccccc21)N1CCN(CC2CCCCC2)CC1 ZINC001157579267 1033669716 /nfs/dbraw/zinc/66/97/16/1033669716.db2.gz LERSUJBUQBCCSB-QFIPXVFZSA-N 1 3 395.591 3.520 20 0 GHADHO Cc1ccc(C[N@H+]2C[C@H]3CN(C[C@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211103 1034179102 /nfs/dbraw/zinc/17/91/02/1034179102.db2.gz ZSGQMNVSAWFVPB-VSKRKVRLSA-N 1 3 399.579 3.616 20 0 GHADHO Cc1ccc(C[N@@H+]2C[C@H]3CN(C[C@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211103 1034179108 /nfs/dbraw/zinc/17/91/08/1034179108.db2.gz ZSGQMNVSAWFVPB-VSKRKVRLSA-N 1 3 399.579 3.616 20 0 GHADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)CC[N@@H+]1C ZINC001159207318 1034482589 /nfs/dbraw/zinc/48/25/89/1034482589.db2.gz CAPIVNWIYYWRBT-TZRRMPRUSA-N 1 3 399.623 3.908 20 0 GHADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)CC[N@H+]1C ZINC001159207318 1034482599 /nfs/dbraw/zinc/48/25/99/1034482599.db2.gz CAPIVNWIYYWRBT-TZRRMPRUSA-N 1 3 399.623 3.908 20 0 GHADHO C[N@H+](C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CCN(C2CCCCC2)CC1 ZINC001207788720 1034576698 /nfs/dbraw/zinc/57/66/98/1034576698.db2.gz JUQLNMRODZVWCP-MZADTFQBSA-N 1 3 391.600 3.828 20 0 GHADHO C[N@@H+](C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CCN(C2CCCCC2)CC1 ZINC001207788720 1034576702 /nfs/dbraw/zinc/57/67/02/1034576702.db2.gz JUQLNMRODZVWCP-MZADTFQBSA-N 1 3 391.600 3.828 20 0 GHADHO CN(C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC[NH+](C2CCCCC2)CC1 ZINC001207788720 1034576704 /nfs/dbraw/zinc/57/67/04/1034576704.db2.gz JUQLNMRODZVWCP-MZADTFQBSA-N 1 3 391.600 3.828 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC001207793607 1034579424 /nfs/dbraw/zinc/57/94/24/1034579424.db2.gz OSDIZUMEBGJUHD-SXYSDOLCSA-N 1 3 385.552 3.685 20 0 GHADHO CC(C)Oc1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460182 1034605478 /nfs/dbraw/zinc/60/54/78/1034605478.db2.gz CWUUEPMQAIALJB-UHFFFAOYSA-N 1 3 378.520 3.778 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nccc4ncsc43)c3ccccc23)CC1 ZINC001159460205 1034605785 /nfs/dbraw/zinc/60/57/85/1034605785.db2.gz FLOPCUBVJKYZNC-UHFFFAOYSA-N 1 3 377.517 3.601 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3cc(Cl)nc4nc[nH]c43)c3ccccc23)CC1 ZINC001159460180 1034606455 /nfs/dbraw/zinc/60/64/55/1034606455.db2.gz CVJSZFYROAFODA-UHFFFAOYSA-N 1 3 394.910 3.521 20 0 GHADHO N[C@@H](CCC[NH3+])NC(F)(F)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1 ZINC001159789748 1034743125 /nfs/dbraw/zinc/74/31/25/1034743125.db2.gz WODPUBRREKMYJB-CQSZACIVSA-N 1 3 375.250 3.718 20 0 GHADHO Cc1ccc([C@H](C)CC[N@@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001208153289 1034756211 /nfs/dbraw/zinc/75/62/11/1034756211.db2.gz FAHCTSMPDNZILS-JMUQELJHSA-N 1 3 383.536 3.700 20 0 GHADHO Cc1ccc([C@H](C)CC[N@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001208153289 1034756231 /nfs/dbraw/zinc/75/62/31/1034756231.db2.gz FAHCTSMPDNZILS-JMUQELJHSA-N 1 3 383.536 3.700 20 0 GHADHO C[NH+]1CCC2(CCN(Cc3n[nH]c4cc(Br)ccc43)CC2)CC1 ZINC001231614658 1034769573 /nfs/dbraw/zinc/76/95/73/1034769573.db2.gz CIEYWHMVZRWDDK-UHFFFAOYSA-N 1 3 377.330 3.633 20 0 GHADHO CC/C=C\CCCCCN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001208189788 1034784889 /nfs/dbraw/zinc/78/48/89/1034784889.db2.gz BDVXVCBKDMBDCF-ARJAWSKDSA-N 1 3 389.588 3.623 20 0 GHADHO CCN1CCN(c2ccc(Nc3c(F)cccc3N3CCC([NH3+])CC3)cc2)CC1 ZINC001160071915 1034850043 /nfs/dbraw/zinc/85/00/43/1034850043.db2.gz IUYZXJULJVLZND-UHFFFAOYSA-N 1 3 397.542 3.639 20 0 GHADHO [NH3+]C1CCN(c2c(F)cccc2NC2=CCCN(Cc3ccccc3)C2)CC1 ZINC001160104885 1034861951 /nfs/dbraw/zinc/86/19/51/1034861951.db2.gz JAHDUJOUYUTIGO-UHFFFAOYSA-N 1 3 380.511 3.955 20 0 GHADHO Cc1cc(F)ncc1CN1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001231981766 1035021054 /nfs/dbraw/zinc/02/10/54/1035021054.db2.gz NEEKPPJCQXZVTH-SFHVURJKSA-N 1 3 389.540 3.846 20 0 GHADHO Cc1cc(F)ncc1CN1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001231981766 1035021062 /nfs/dbraw/zinc/02/10/62/1035021062.db2.gz NEEKPPJCQXZVTH-SFHVURJKSA-N 1 3 389.540 3.846 20 0 GHADHO O=C([C@H]1CCC[C@H](c2ccccc2)N1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160704849 1035040063 /nfs/dbraw/zinc/04/00/63/1035040063.db2.gz PEJYJCWTCHTOER-NHCUHLMSSA-N 1 3 375.516 3.538 20 0 GHADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C[C@H]3CCC[N@H+](Cc4ccccc4)C3)O2)n1 ZINC001208934578 1035099230 /nfs/dbraw/zinc/09/92/30/1035099230.db2.gz JJDBVKGBPYCMCT-CBPXPLCBSA-N 1 3 396.535 3.585 20 0 GHADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)O2)n1 ZINC001208934578 1035099234 /nfs/dbraw/zinc/09/92/34/1035099234.db2.gz JJDBVKGBPYCMCT-CBPXPLCBSA-N 1 3 396.535 3.585 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208941767 1035112158 /nfs/dbraw/zinc/11/21/58/1035112158.db2.gz NAZMSMZXYBLCDH-FPOVZHCZSA-N 1 3 387.568 3.697 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208941767 1035112160 /nfs/dbraw/zinc/11/21/60/1035112160.db2.gz NAZMSMZXYBLCDH-FPOVZHCZSA-N 1 3 387.568 3.697 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1 ZINC001232144658 1035121620 /nfs/dbraw/zinc/12/16/20/1035121620.db2.gz MSVXBIZPVZVBIA-AZUAARDMSA-N 1 3 391.531 3.719 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1 ZINC001232144658 1035121623 /nfs/dbraw/zinc/12/16/23/1035121623.db2.gz MSVXBIZPVZVBIA-AZUAARDMSA-N 1 3 391.531 3.719 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC001232149697 1035127605 /nfs/dbraw/zinc/12/76/05/1035127605.db2.gz XWPLVPSYTTUPLW-UHFFFAOYSA-N 1 3 379.520 3.624 20 0 GHADHO CCOC(=O)c1coc(C2CC[NH+](C[C@H]3CCN(Cc4ccccc4)C3)CC2)n1 ZINC001208961047 1035133665 /nfs/dbraw/zinc/13/36/65/1035133665.db2.gz YCVUVCVVEAMMMT-LJQANCHMSA-N 1 3 397.519 3.553 20 0 GHADHO N[C@H](CC(=O)N1CCC(C2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1Cl ZINC001161208169 1035181059 /nfs/dbraw/zinc/18/10/59/1035181059.db2.gz JMLLIBUIXQKKKA-GOSISDBHSA-N 1 3 384.351 3.622 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](CCc1cccs1)CC2 ZINC001209223324 1035211067 /nfs/dbraw/zinc/21/10/67/1035211067.db2.gz WSZQQHMLNUILEM-FQEVSTJZSA-N 1 3 385.577 3.689 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209367375 1035256040 /nfs/dbraw/zinc/25/60/40/1035256040.db2.gz MLWJJXJLQXLFNA-LEWJYISDSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209367375 1035256043 /nfs/dbraw/zinc/25/60/43/1035256043.db2.gz MLWJJXJLQXLFNA-LEWJYISDSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001209367375 1035256049 /nfs/dbraw/zinc/25/60/49/1035256049.db2.gz MLWJJXJLQXLFNA-LEWJYISDSA-N 1 3 387.568 3.745 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001209367375 1035256051 /nfs/dbraw/zinc/25/60/51/1035256051.db2.gz MLWJJXJLQXLFNA-LEWJYISDSA-N 1 3 387.568 3.745 20 0 GHADHO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209450681 1035276707 /nfs/dbraw/zinc/27/67/07/1035276707.db2.gz PRLXAIMENIKWHF-HSZRJFAPSA-N 1 3 395.591 3.938 20 0 GHADHO CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209450816 1035277241 /nfs/dbraw/zinc/27/72/41/1035277241.db2.gz RLCXZUBECJAGDA-JOCHJYFZSA-N 1 3 383.580 3.733 20 0 GHADHO CC[C@@H](C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459873 1035279362 /nfs/dbraw/zinc/27/93/62/1035279362.db2.gz APEPKRTYDAKOJI-REWPJTCUSA-N 1 3 387.568 3.888 20 0 GHADHO CC[C@@H](C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459873 1035279363 /nfs/dbraw/zinc/27/93/63/1035279363.db2.gz APEPKRTYDAKOJI-REWPJTCUSA-N 1 3 387.568 3.888 20 0 GHADHO CCOC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001461988792 1069931342 /nfs/dbraw/zinc/93/13/42/1069931342.db2.gz LBQWDLKJRFHJAV-BUNPMSMLSA-N 1 3 384.564 3.999 20 0 GHADHO C[NH+](C)CCCOc1ccc(-c2nc(CN)ccc2NC(=O)C(C)(C)C)cc1 ZINC001245335545 1036883762 /nfs/dbraw/zinc/88/37/62/1036883762.db2.gz DZLUJKOASWHPAT-UHFFFAOYSA-N 1 3 384.524 3.522 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001245995107 1037116491 /nfs/dbraw/zinc/11/64/91/1037116491.db2.gz PEOGFQBSBAQILT-XUVXKRRUSA-N 1 3 380.866 3.590 20 0 GHADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC1(Cc2cccc(C(F)(F)F)c2)CCC1 ZINC001246004428 1037123926 /nfs/dbraw/zinc/12/39/26/1037123926.db2.gz YGRHNTDEBRCGSI-VQTJNVASSA-N 1 3 392.465 3.691 20 0 GHADHO CC(C)(C)C[N@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC001246067361 1037181421 /nfs/dbraw/zinc/18/14/21/1037181421.db2.gz DCHZDYTYBLBTJZ-FQEVSTJZSA-N 1 3 376.585 3.824 20 0 GHADHO CC(C)(C)C[N@@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC001246067361 1037181427 /nfs/dbraw/zinc/18/14/27/1037181427.db2.gz DCHZDYTYBLBTJZ-FQEVSTJZSA-N 1 3 376.585 3.824 20 0 GHADHO CC(C)(C)CN(C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC001246067361 1037181441 /nfs/dbraw/zinc/18/14/41/1037181441.db2.gz DCHZDYTYBLBTJZ-FQEVSTJZSA-N 1 3 376.585 3.824 20 0 GHADHO Brc1cccc(OCC[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246099291 1037194111 /nfs/dbraw/zinc/19/41/11/1037194111.db2.gz GOPGPFGVNCKCOU-RTBURBONSA-N 1 3 389.337 3.781 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2(Cc3ccccc3F)CCNCC2)cc1 ZINC001246380491 1037338615 /nfs/dbraw/zinc/33/86/15/1037338615.db2.gz HNKIJNGTOFKKNZ-SFHVURJKSA-N 1 3 398.522 3.888 20 0 GHADHO Clc1ccccc1CC1(N[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246388890 1037350086 /nfs/dbraw/zinc/35/00/86/1037350086.db2.gz HNYGWAFKLLBMPI-NRFANRHFSA-N 1 3 383.967 3.869 20 0 GHADHO COc1ccccc1CC1([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CCNCC1 ZINC001246426002 1037382194 /nfs/dbraw/zinc/38/21/94/1037382194.db2.gz NOSKGAJOQLCGQM-LJQANCHMSA-N 1 3 386.486 3.785 20 0 GHADHO C[C@H]1C[C@@H](NC2(Cc3cccc(F)c3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246457382 1037416717 /nfs/dbraw/zinc/41/67/17/1037416717.db2.gz KCGWKBYHZSFQEY-WMZHIEFXSA-N 1 3 381.539 3.743 20 0 GHADHO CCOC(=O)CC1CCC([NH2+]C2(Cc3cccc(F)c3)CCNCC2)CC1 ZINC001246469903 1037422678 /nfs/dbraw/zinc/42/26/78/1037422678.db2.gz XBGGVWFCRYFEJJ-UHFFFAOYSA-N 1 3 376.516 3.592 20 0 GHADHO OC1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246519779 1037454382 /nfs/dbraw/zinc/45/43/82/1037454382.db2.gz QCHJUSWTXNRSJZ-FGZHOGPDSA-N 1 3 384.951 3.987 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+]3CCC[C@]34CCCNC4)CC[C@H]2C1 ZINC001246610650 1037504347 /nfs/dbraw/zinc/50/43/47/1037504347.db2.gz QXFYDUPLVIRBIR-YCSHWKNNSA-N 1 3 381.564 3.535 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCC[C@]34CCCNC4)CC[C@H]2C1 ZINC001246610650 1037504358 /nfs/dbraw/zinc/50/43/58/1037504358.db2.gz QXFYDUPLVIRBIR-YCSHWKNNSA-N 1 3 381.564 3.535 20 0 GHADHO CCC[C@H]1CC[C@H](C2CCC([N@@H+]3CC4(CNC4)[C@@]4(CCNC4=O)C3)CC2)CC1 ZINC001246629881 1037518468 /nfs/dbraw/zinc/51/84/68/1037518468.db2.gz QLEPBZFPRDVDCD-QTDGGUPXSA-N 1 3 387.612 3.563 20 0 GHADHO CCC[C@H]1CC[C@H](C2CCC([N@H+]3CC4(CNC4)[C@@]4(CCNC4=O)C3)CC2)CC1 ZINC001246629881 1037518498 /nfs/dbraw/zinc/51/84/98/1037518498.db2.gz QLEPBZFPRDVDCD-QTDGGUPXSA-N 1 3 387.612 3.563 20 0 GHADHO CCOC(=O)CC1CCC([N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246671054 1037537457 /nfs/dbraw/zinc/53/74/57/1037537457.db2.gz FVXAWOCGSXHGCR-GIFYUCOESA-N 1 3 384.564 3.752 20 0 GHADHO CCOC(=O)CC1CCC([N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246671054 1037537472 /nfs/dbraw/zinc/53/74/72/1037537472.db2.gz FVXAWOCGSXHGCR-GIFYUCOESA-N 1 3 384.564 3.752 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246684024 1037548432 /nfs/dbraw/zinc/54/84/32/1037548432.db2.gz KLWOKELKCVHVIX-IMSXRSKXSA-N 1 3 378.516 3.816 20 0 GHADHO COc1ccc(N2C[C@]3(CCN([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246698121 1037555116 /nfs/dbraw/zinc/55/51/16/1037555116.db2.gz WPVLRRUIWPZRAX-NZQKXSOJSA-N 1 3 397.563 3.579 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246710700 1037562428 /nfs/dbraw/zinc/56/24/28/1037562428.db2.gz SRNPHADTNVPKJT-KNKQGSTJSA-N 1 3 389.609 3.987 20 0 GHADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246716336 1037568084 /nfs/dbraw/zinc/56/80/84/1037568084.db2.gz CZRUPKLHBQQKOB-QXPQREGVSA-N 1 3 395.572 3.711 20 0 GHADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246716336 1037568090 /nfs/dbraw/zinc/56/80/90/1037568090.db2.gz CZRUPKLHBQQKOB-QXPQREGVSA-N 1 3 395.572 3.711 20 0 GHADHO Brc1cccc([C@H]2CN(C3CCC4(CC[NH2+]CC4)CC3)CCN2)c1 ZINC001246809026 1037643368 /nfs/dbraw/zinc/64/33/68/1037643368.db2.gz ZITABPYXXUZLAA-LJQANCHMSA-N 1 3 392.385 3.708 20 0 GHADHO COc1ccccc1OC1CC[NH+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246850162 1037674340 /nfs/dbraw/zinc/67/43/40/1037674340.db2.gz HMOPOSCAULPBOH-NHCUHLMSSA-N 1 3 380.532 3.902 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001246940362 1037745383 /nfs/dbraw/zinc/74/53/83/1037745383.db2.gz WMTCCUNAJIKLKU-NZQKXSOJSA-N 1 3 383.580 3.926 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001246940362 1037745397 /nfs/dbraw/zinc/74/53/97/1037745397.db2.gz WMTCCUNAJIKLKU-NZQKXSOJSA-N 1 3 383.580 3.926 20 0 GHADHO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)C1 ZINC001246990788 1037815723 /nfs/dbraw/zinc/81/57/23/1037815723.db2.gz JBSIGZVVSGPDCK-WXFUMESZSA-N 1 3 392.543 3.805 20 0 GHADHO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)C1 ZINC001246990788 1037815728 /nfs/dbraw/zinc/81/57/28/1037815728.db2.gz JBSIGZVVSGPDCK-WXFUMESZSA-N 1 3 392.543 3.805 20 0 GHADHO CC[C@@H]1C[C@@H](N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246999495 1037824161 /nfs/dbraw/zinc/82/41/61/1037824161.db2.gz JMDOPJZCKCXTGV-WKCHPHFGSA-N 1 3 391.987 3.977 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2cnc(OC)cc2C)CC3)c1 ZINC001232351495 1038130799 /nfs/dbraw/zinc/13/07/99/1038130799.db2.gz SVGKNQNNFSIXMU-UHFFFAOYSA-N 1 3 395.547 3.895 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2cnc(OC)cc2C)CC3)c1 ZINC001232351495 1038130806 /nfs/dbraw/zinc/13/08/06/1038130806.db2.gz SVGKNQNNFSIXMU-UHFFFAOYSA-N 1 3 395.547 3.895 20 0 GHADHO CC(C)(O)c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232834512 1038587750 /nfs/dbraw/zinc/58/77/50/1038587750.db2.gz VPXBCKZOWKNJJX-FCHUYYIVSA-N 1 3 379.548 3.653 20 0 GHADHO CC(C)(O)c1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232834512 1038587753 /nfs/dbraw/zinc/58/77/53/1038587753.db2.gz VPXBCKZOWKNJJX-FCHUYYIVSA-N 1 3 379.548 3.653 20 0 GHADHO Cc1cc(C)c(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001233005473 1038765311 /nfs/dbraw/zinc/76/53/11/1038765311.db2.gz HTSXZDIRYNOWIV-HSZRJFAPSA-N 1 3 379.548 3.954 20 0 GHADHO Cc1cc(C)c(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001233005473 1038765318 /nfs/dbraw/zinc/76/53/18/1038765318.db2.gz HTSXZDIRYNOWIV-HSZRJFAPSA-N 1 3 379.548 3.954 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001233275948 1039046988 /nfs/dbraw/zinc/04/69/88/1039046988.db2.gz UQDLQLCFFQYBIT-JOCHJYFZSA-N 1 3 392.543 3.877 20 0 GHADHO C[C@@H]1CC[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001462343791 1070186737 /nfs/dbraw/zinc/18/67/37/1070186737.db2.gz QRKBLPGBKDXFAN-QUCCMNQESA-N 1 3 387.568 3.934 20 0 GHADHO O[C@@]1(CN(Cc2ccccn2)C2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932832 1039271352 /nfs/dbraw/zinc/27/13/52/1039271352.db2.gz YGYLWJMFLLRCHU-DEOSSOPVSA-N 1 3 379.548 3.853 20 0 GHADHO O[C@@]1(CN(Cc2ccccn2)C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932832 1039271367 /nfs/dbraw/zinc/27/13/67/1039271367.db2.gz YGYLWJMFLLRCHU-DEOSSOPVSA-N 1 3 379.548 3.853 20 0 GHADHO O[C@]1(CN[C@H](CC2CCOCC2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950176 1039293612 /nfs/dbraw/zinc/29/36/12/1039293612.db2.gz FPXDGPXMWDJWQJ-RPBOFIJWSA-N 1 3 394.559 3.771 20 0 GHADHO O[C@]1(CN[C@H](CC2CCOCC2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950176 1039293618 /nfs/dbraw/zinc/29/36/18/1039293618.db2.gz FPXDGPXMWDJWQJ-RPBOFIJWSA-N 1 3 394.559 3.771 20 0 GHADHO OC1(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254036721 1039967596 /nfs/dbraw/zinc/96/75/96/1039967596.db2.gz KDMXBHNCMBIENY-UHFFFAOYSA-N 1 3 398.591 3.685 20 0 GHADHO COc1cccc([C@@H]2CCC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)c1 ZINC001254040920 1039970331 /nfs/dbraw/zinc/97/03/31/1039970331.db2.gz DHXCCZISLRUYDG-HSZRJFAPSA-N 1 3 394.559 3.902 20 0 GHADHO COc1cccc([C@@H]2CCC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)c1 ZINC001254040920 1039970334 /nfs/dbraw/zinc/97/03/34/1039970334.db2.gz DHXCCZISLRUYDG-HSZRJFAPSA-N 1 3 394.559 3.902 20 0 GHADHO OC1(CN[C@H]2CCOc3ccc(Cl)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC001254054693 1039977487 /nfs/dbraw/zinc/97/74/87/1039977487.db2.gz VBTYJYRMNMXWLD-FQEVSTJZSA-N 1 3 386.923 3.780 20 0 GHADHO C[NH+](C)C1(C)CCC(NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001254368944 1040196987 /nfs/dbraw/zinc/19/69/87/1040196987.db2.gz KFSXYAPPLZSGED-QKDPSFTKSA-N 1 3 386.584 3.603 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)CCN(Cc2ccccc2)C1 ZINC001462450431 1070260918 /nfs/dbraw/zinc/26/09/18/1070260918.db2.gz IFKRIHWRQIDQKO-RCZVLFRGSA-N 1 3 397.607 3.869 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)CCN(Cc2ccccc2)C1 ZINC001462450431 1070260931 /nfs/dbraw/zinc/26/09/31/1070260931.db2.gz IFKRIHWRQIDQKO-RCZVLFRGSA-N 1 3 397.607 3.869 20 0 GHADHO COc1ccccc1CC1([NH3+])CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254620421 1040390970 /nfs/dbraw/zinc/39/09/70/1040390970.db2.gz PDLNHZUWHFGZKR-UHFFFAOYSA-N 1 3 397.538 3.839 20 0 GHADHO CCN(C)C1CC[NH+]([C@@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254752527 1040513345 /nfs/dbraw/zinc/51/33/45/1040513345.db2.gz FIGDSCSYHAXUPA-LJQANCHMSA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@H+](C)C1CCN([C@@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254752527 1040513363 /nfs/dbraw/zinc/51/33/63/1040513363.db2.gz FIGDSCSYHAXUPA-LJQANCHMSA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@@H+](C)C1CCN([C@@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254752527 1040513396 /nfs/dbraw/zinc/51/33/96/1040513396.db2.gz FIGDSCSYHAXUPA-LJQANCHMSA-N 1 3 379.589 3.972 20 0 GHADHO COc1ccc2c(c1)c(CN1CCC3(CC1)C[NH2+]Cc1ccccc13)cn2C ZINC001235087383 1040576896 /nfs/dbraw/zinc/57/68/96/1040576896.db2.gz XAQNYKJQYYEGGX-UHFFFAOYSA-N 1 3 375.516 3.824 20 0 GHADHO Cc1cc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)cnc1Br ZINC001235091375 1040579398 /nfs/dbraw/zinc/57/93/98/1040579398.db2.gz PUIVOQMTLBLSPP-UHFFFAOYSA-N 1 3 386.337 3.790 20 0 GHADHO Cn1cc(C(=O)c2ccc(F)cc2)cc1CN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151760 1040642800 /nfs/dbraw/zinc/64/28/00/1040642800.db2.gz BCGHLEJVYSZGSV-JOCHJYFZSA-N 1 3 383.511 3.749 20 0 GHADHO Brc1ccc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c2nsnc21 ZINC001235152783 1040645052 /nfs/dbraw/zinc/64/50/52/1040645052.db2.gz BASRDHHQPGQRBN-OAHLLOKOSA-N 1 3 395.370 3.808 20 0 GHADHO Brc1ccc2[nH]nc(CN3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235159086 1040653735 /nfs/dbraw/zinc/65/37/35/1040653735.db2.gz VHXURIWFFDAZIU-GOSISDBHSA-N 1 3 377.330 3.680 20 0 GHADHO Brc1ccc2n[nH]c(CN3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235159086 1040653738 /nfs/dbraw/zinc/65/37/38/1040653738.db2.gz VHXURIWFFDAZIU-GOSISDBHSA-N 1 3 377.330 3.680 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255022074 1040734220 /nfs/dbraw/zinc/73/42/20/1040734220.db2.gz AVVNUHMVNDDJML-XMMPIXPASA-N 1 3 391.559 3.552 20 0 GHADHO NCc1cnnn1[C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255069753 1040762625 /nfs/dbraw/zinc/76/26/25/1040762625.db2.gz OBEQYVWFSKLPFF-QPTUXGOLSA-N 1 3 387.531 3.674 20 0 GHADHO NCc1cnnn1[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255069753 1040762636 /nfs/dbraw/zinc/76/26/36/1040762636.db2.gz OBEQYVWFSKLPFF-QPTUXGOLSA-N 1 3 387.531 3.674 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CN(Cc4ccccc4)C3)CC1)C2 ZINC001255214934 1040910008 /nfs/dbraw/zinc/91/00/08/1040910008.db2.gz QZFNYSRMGAAVOG-ZBYYUNFXSA-N 1 3 397.563 3.736 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H](N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001255352263 1040957047 /nfs/dbraw/zinc/95/70/47/1040957047.db2.gz JULVDERQQBNGNP-BEDNHLLMSA-N 1 3 390.527 3.685 20 0 GHADHO c1c2c(nn1CC1CC1)[C@H](C[NH2+][C@@H]1CCCN(Cc3ccccc3)CC1)OCC2 ZINC001255383479 1040973609 /nfs/dbraw/zinc/97/36/09/1040973609.db2.gz JZBZWNXYFVGKJL-PKTZIBPZSA-N 1 3 394.563 3.551 20 0 GHADHO O=C(C[C@@H]1CC2(CCN(CC[C@@H]3CCCC[NH2+]3)CC2)c2ccccc21)NC1CC1 ZINC001235539464 1040980860 /nfs/dbraw/zinc/98/08/60/1040980860.db2.gz ZSBFBXSECDLQCE-UXHICEINSA-N 1 3 395.591 3.708 20 0 GHADHO [NH3+]C12CC(CCN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)(C1)C2 ZINC001235695361 1041171137 /nfs/dbraw/zinc/17/11/37/1041171137.db2.gz REYRDHIZIYIBLM-UHFFFAOYSA-N 1 3 397.513 3.943 20 0 GHADHO C[C@H](CC(F)(F)F)NC1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001255632827 1041182899 /nfs/dbraw/zinc/18/28/99/1041182899.db2.gz FKXQWUKLAGDWME-CQSZACIVSA-N 1 3 393.494 3.781 20 0 GHADHO C[C@H](CSc1ccc(F)cc1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001255728088 1041251534 /nfs/dbraw/zinc/25/15/34/1041251534.db2.gz MLWBFMLHHYSLIT-GOSISDBHSA-N 1 3 387.568 3.844 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001255943815 1041430671 /nfs/dbraw/zinc/43/06/71/1041430671.db2.gz PYVRKHGNCZLOKZ-IPJJNNNSSA-N 1 3 397.604 3.503 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCN(Cc2ccccc2Br)C1 ZINC001255953390 1041434055 /nfs/dbraw/zinc/43/40/55/1041434055.db2.gz JVDLZPRVGCUJST-AEFFLSMTSA-N 1 3 382.390 3.733 20 0 GHADHO Clc1ccc(Cn2cc(CN3C[C@H]4CC[NH2+]C[C@H]4C3)c3ccccc32)cn1 ZINC001235935772 1041439680 /nfs/dbraw/zinc/43/96/80/1041439680.db2.gz FCYUWFMUEKRVAD-MSOLQXFVSA-N 1 3 380.923 3.779 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+](CCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255964054 1041444448 /nfs/dbraw/zinc/44/44/48/1041444448.db2.gz NNSFHKGWPJWIII-IBGZPJMESA-N 1 3 399.620 3.845 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+](CCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255964054 1041444456 /nfs/dbraw/zinc/44/44/56/1041444456.db2.gz NNSFHKGWPJWIII-IBGZPJMESA-N 1 3 399.620 3.845 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964537 1041444647 /nfs/dbraw/zinc/44/46/47/1041444647.db2.gz ZGAHXLVZMCVJMD-ZJSXRUAMSA-N 1 3 385.596 3.664 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964537 1041444653 /nfs/dbraw/zinc/44/46/53/1041444653.db2.gz ZGAHXLVZMCVJMD-ZJSXRUAMSA-N 1 3 385.596 3.664 20 0 GHADHO Fc1c(CN2CCCCC2)cccc1-c1ccc2c([C@H]3CCC[NH2+]3)nnn2c1 ZINC001236013017 1041506105 /nfs/dbraw/zinc/50/61/05/1041506105.db2.gz YCCCXQQZDBKXIC-LJQANCHMSA-N 1 3 379.483 3.946 20 0 GHADHO COc1cc(OC)c(CN(Cc2ccccc2)C2CCC([NH3+])CC2)c(OC)c1 ZINC001236228804 1041633364 /nfs/dbraw/zinc/63/33/64/1041633364.db2.gz ZMGSIWQHUXZTCX-UHFFFAOYSA-N 1 3 384.520 3.985 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC([NH3+])(Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256462381 1041743540 /nfs/dbraw/zinc/74/35/40/1041743540.db2.gz LCWXBEFYBVGUDU-QUCCMNQESA-N 1 3 387.568 3.810 20 0 GHADHO Cn1nc(C(F)(F)F)c(CN(CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1Cl ZINC001236542477 1041756751 /nfs/dbraw/zinc/75/67/51/1041756751.db2.gz RDVZWIQOFNEISL-JOCQHMNTSA-N 1 3 378.870 3.964 20 0 GHADHO COc1cc(CN(C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236573373 1041766574 /nfs/dbraw/zinc/76/65/74/1041766574.db2.gz APVPRNDLOCYKGE-KOMQPUFPSA-N 1 3 382.346 3.867 20 0 GHADHO Cc1ccc(I)cc1CN(C1CCC1)C1CC[NH2+]CC1 ZINC001236637448 1041797763 /nfs/dbraw/zinc/79/77/63/1041797763.db2.gz QGIUSCPLXMYRGJ-UHFFFAOYSA-N 1 3 384.305 3.706 20 0 GHADHO Cc1ccc(I)cc1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236637448 1041797769 /nfs/dbraw/zinc/79/77/69/1041797769.db2.gz QGIUSCPLXMYRGJ-UHFFFAOYSA-N 1 3 384.305 3.706 20 0 GHADHO Cc1ccc(I)cc1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236637448 1041797774 /nfs/dbraw/zinc/79/77/74/1041797774.db2.gz QGIUSCPLXMYRGJ-UHFFFAOYSA-N 1 3 384.305 3.706 20 0 GHADHO COc1ccccc1CN(Cc1cnc2cc(C)ccn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700138 1041840738 /nfs/dbraw/zinc/84/07/38/1041840738.db2.gz IUXNTLDCISFOSS-MXVIHJGJSA-N 1 3 378.520 3.923 20 0 GHADHO CCOC(=O)[C@H]1CN(Cc2ccccc2Oc2ccc(F)cc2)CCC12C[NH2+]C2 ZINC001237431603 1042205790 /nfs/dbraw/zinc/20/57/90/1042205790.db2.gz SNQWBGXDVYHIMA-HXUWFJFHSA-N 1 3 398.478 3.593 20 0 GHADHO Cc1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)cnc1OC(C)C ZINC001238376756 1042576287 /nfs/dbraw/zinc/57/62/87/1042576287.db2.gz TXXXIDPTLAOKJC-UHFFFAOYSA-N 1 3 375.557 3.502 20 0 GHADHO CC(C)(C)[C@]1(C[NH+]2CCC3(CCNC(=O)O3)CC2)CCN(Cc2ccccc2)C1 ZINC001462630561 1070429154 /nfs/dbraw/zinc/42/91/54/1070429154.db2.gz FHTUKGCLEDUSNZ-QHCPKHFHSA-N 1 3 399.579 3.889 20 0 GHADHO CC(C)(C)[C@]1(CN2CCC3(CCNC(=O)O3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001462630561 1070429156 /nfs/dbraw/zinc/42/91/56/1070429156.db2.gz FHTUKGCLEDUSNZ-QHCPKHFHSA-N 1 3 399.579 3.889 20 0 GHADHO CC(C)(C)[C@]1(CN2CCC3(CCNC(=O)O3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462630561 1070429160 /nfs/dbraw/zinc/42/91/60/1070429160.db2.gz FHTUKGCLEDUSNZ-QHCPKHFHSA-N 1 3 399.579 3.889 20 0 GHADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001462633274 1070430469 /nfs/dbraw/zinc/43/04/69/1070430469.db2.gz GUNAJIYXHMBWBS-UEVCKROQSA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001462633274 1070430473 /nfs/dbraw/zinc/43/04/73/1070430473.db2.gz GUNAJIYXHMBWBS-UEVCKROQSA-N 1 3 380.532 3.804 20 0 GHADHO [NH3+]C1CCN(C(=O)c2ccccc2C2=CCCN(Cc3ccccc3)C2)CC1 ZINC001240389119 1042925197 /nfs/dbraw/zinc/92/51/97/1042925197.db2.gz WHWYCXKKQVTULS-UHFFFAOYSA-N 1 3 375.516 3.539 20 0 GHADHO CC[C@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001291627567 1043362501 /nfs/dbraw/zinc/36/25/01/1043362501.db2.gz DLWDYRCGIJUHOV-FQEVSTJZSA-N 1 3 392.636 3.688 20 0 GHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)CCN1Cc1ccccc1 ZINC001256530134 1043461863 /nfs/dbraw/zinc/46/18/63/1043461863.db2.gz KBBQDLRXKMDXRQ-VKZFYUIYSA-N 1 3 375.560 3.760 20 0 GHADHO CC(C)(C)OC(=O)NC1([C@H]2CN(C3CC[NH+](C(C)(C)C)CC3)C[C@H]2CF)CC1 ZINC001256569959 1043542134 /nfs/dbraw/zinc/54/21/34/1043542134.db2.gz UGLASSBJCMSQAZ-AEFFLSMTSA-N 1 3 397.579 3.824 20 0 GHADHO Cc1cc(N2CCN(C3CCC(N(C)C(=O)OC(C)(C)C)CC3)CC2)cc[nH+]1 ZINC001256675784 1043615400 /nfs/dbraw/zinc/61/54/00/1043615400.db2.gz IDXOECZMVWARCD-UHFFFAOYSA-N 1 3 388.556 3.690 20 0 GHADHO C[C@H](c1ccccc1)[N@H+](C1CCC(N2CCOCC2)CC1)[C@@H]1CN2CCC1CC2 ZINC001256696927 1043628439 /nfs/dbraw/zinc/62/84/39/1043628439.db2.gz QRPDZVIOIPTADD-ZSAXZHEQSA-N 1 3 397.607 3.787 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+](C1CCC(N2CCOCC2)CC1)[C@@H]1CN2CCC1CC2 ZINC001256696927 1043628448 /nfs/dbraw/zinc/62/84/48/1043628448.db2.gz QRPDZVIOIPTADD-ZSAXZHEQSA-N 1 3 397.607 3.787 20 0 GHADHO c1ccc([C@H]2C[C@@H]([N@H+]3C[C@@H]4CN(CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815421 1043671877 /nfs/dbraw/zinc/67/18/77/1043671877.db2.gz SEFOVSOTOIDWIK-CJRSTVEYSA-N 1 3 384.564 3.730 20 0 GHADHO c1ccc([C@H]2C[C@@H]([N@@H+]3C[C@@H]4CN(CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815421 1043671885 /nfs/dbraw/zinc/67/18/85/1043671885.db2.gz SEFOVSOTOIDWIK-CJRSTVEYSA-N 1 3 384.564 3.730 20 0 GHADHO CC(C)[C@@H]1CN(C2CCN(c3cc[nH+]cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256856123 1043704839 /nfs/dbraw/zinc/70/48/39/1043704839.db2.gz BCTLHRXUWMSGGF-FQEVSTJZSA-N 1 3 388.556 3.628 20 0 GHADHO COC(=O)C1CCC(N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001257859333 1044226342 /nfs/dbraw/zinc/22/63/42/1044226342.db2.gz CVTAIPWYEMKPPC-UHFFFAOYSA-N 1 3 384.442 3.687 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001258002805 1044330975 /nfs/dbraw/zinc/33/09/75/1044330975.db2.gz FPTCBCFRMQVVHW-VJDPLVQDSA-N 1 3 379.589 3.875 20 0 GHADHO c1ccc(CC[NH+]2CCC(NCCOc3cccc4cccnc43)CC2)cc1 ZINC001258135886 1044421010 /nfs/dbraw/zinc/42/10/10/1044421010.db2.gz TWGNLJWCCQPUKW-UHFFFAOYSA-N 1 3 375.516 3.910 20 0 GHADHO OC1(c2ccccc2F)CC[NH+](C2CCN(CCc3ccccc3)CC2)CC1 ZINC001258146012 1044433569 /nfs/dbraw/zinc/43/35/69/1044433569.db2.gz OYAUVGBQHWDLBB-UHFFFAOYSA-N 1 3 382.523 3.816 20 0 GHADHO COC(=O)CC[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001258358057 1044521288 /nfs/dbraw/zinc/52/12/88/1044521288.db2.gz MPVNEIRTGHEEQA-WWPVKYPJSA-N 1 3 380.532 3.976 20 0 GHADHO COC(=O)CC[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001258358057 1044521296 /nfs/dbraw/zinc/52/12/96/1044521296.db2.gz MPVNEIRTGHEEQA-WWPVKYPJSA-N 1 3 380.532 3.976 20 0 GHADHO COc1cccc(CC2([NH3+])CCN(C3CCN(c4cccc(F)c4)CC3)CC2)c1 ZINC001258417990 1044550953 /nfs/dbraw/zinc/55/09/53/1044550953.db2.gz ZPBSPTVPOVFWTF-UHFFFAOYSA-N 1 3 397.538 3.839 20 0 GHADHO C[C@@H](CC1CC1)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258466488 1044573349 /nfs/dbraw/zinc/57/33/49/1044573349.db2.gz QWBUJZUZYPCLIO-BPUDTRNYSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H](CC1CC1)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258466488 1044573360 /nfs/dbraw/zinc/57/33/60/1044573360.db2.gz QWBUJZUZYPCLIO-BPUDTRNYSA-N 1 3 383.580 3.821 20 0 GHADHO O[C@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716836 1047116451 /nfs/dbraw/zinc/11/64/51/1047116451.db2.gz CXXZTDIWINTJEK-PZJWPPBQSA-N 1 3 388.939 3.582 20 0 GHADHO O[C@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716836 1047116452 /nfs/dbraw/zinc/11/64/52/1047116452.db2.gz CXXZTDIWINTJEK-PZJWPPBQSA-N 1 3 388.939 3.582 20 0 GHADHO Cc1ncsc1CN1CCCC2(CC[NH+](CC3(C)CCOCC3)CC2)C1 ZINC001279473622 1047818762 /nfs/dbraw/zinc/81/87/62/1047818762.db2.gz ARMYNNWZDZCVAD-UHFFFAOYSA-N 1 3 377.598 3.946 20 0 GHADHO Brc1cc(CN2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)c[nH]1 ZINC001279506506 1047828414 /nfs/dbraw/zinc/82/84/14/1047828414.db2.gz JTBKYSJDCPHHFE-UHFFFAOYSA-N 1 3 377.330 3.593 20 0 GHADHO Brc1cc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c[nH]1 ZINC001279506506 1047828418 /nfs/dbraw/zinc/82/84/18/1047828418.db2.gz JTBKYSJDCPHHFE-UHFFFAOYSA-N 1 3 377.330 3.593 20 0 GHADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1cncc(Cl)c1)CC2 ZINC001279638494 1047882736 /nfs/dbraw/zinc/88/27/36/1047882736.db2.gz GDBYQUIMMQDDGE-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1cncc(Cl)c1)CC2 ZINC001279638494 1047882744 /nfs/dbraw/zinc/88/27/44/1047882744.db2.gz GDBYQUIMMQDDGE-UHFFFAOYSA-N 1 3 376.957 3.988 20 0 GHADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=S)NCCC[NH+](CC)CC ZINC001279993790 1048030738 /nfs/dbraw/zinc/03/07/38/1048030738.db2.gz QWIZSIHTLFHUGB-AQNXPRMDSA-N 1 3 382.662 3.568 20 0 GHADHO CCCC[C@H](CC)CN1CCC12CN(C(=S)NCCC[NH+](CC)CC)C2 ZINC001279992481 1048031181 /nfs/dbraw/zinc/03/11/81/1048031181.db2.gz CMAJBKPDWITOOR-IBGZPJMESA-N 1 3 382.662 3.569 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC001306181552 1048498574 /nfs/dbraw/zinc/49/85/74/1048498574.db2.gz GQVAXZIFARCIRB-HSZRJFAPSA-N 1 3 395.547 3.647 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC001306869028 1048936017 /nfs/dbraw/zinc/93/60/17/1048936017.db2.gz SAHFQTGNRUGYFO-OAQYLSRUSA-N 1 3 389.584 3.895 20 0 GHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518728 1049363250 /nfs/dbraw/zinc/36/32/50/1049363250.db2.gz VVUPLTCDVXHSFZ-UXHICEINSA-N 1 3 379.589 3.687 20 0 GHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518728 1049363262 /nfs/dbraw/zinc/36/32/62/1049363262.db2.gz VVUPLTCDVXHSFZ-UXHICEINSA-N 1 3 379.589 3.687 20 0 GHADHO C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1(c2ccccc2)CCCC1 ZINC001307693787 1049512396 /nfs/dbraw/zinc/51/23/96/1049512396.db2.gz XNZOKFWNLWHUOH-NFBKMPQASA-N 1 3 393.575 3.896 20 0 GHADHO C/C=C\C[C@@H]1CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001307973953 1049732975 /nfs/dbraw/zinc/73/29/75/1049732975.db2.gz LMVXLXLINRZGQV-VKUXZERMSA-N 1 3 383.580 3.754 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccnn3CC(C)C)CC2)c1 ZINC001308197192 1049909150 /nfs/dbraw/zinc/90/91/50/1049909150.db2.gz SXZVLGPTOKMKCD-UHFFFAOYSA-N 1 3 383.584 3.540 20 0 GHADHO O=c1[nH]c2ccc(C[NH2+]CC3CCN(Cc4ccccc4Cl)CC3)cc2[nH]1 ZINC001308252881 1049927646 /nfs/dbraw/zinc/92/76/46/1049927646.db2.gz ZGISHXDYKOZRAC-UHFFFAOYSA-N 1 3 384.911 3.924 20 0 GHADHO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC001308281124 1049935754 /nfs/dbraw/zinc/93/57/54/1049935754.db2.gz IUPFJWFKVXCKEC-OALUTQOASA-N 1 3 384.568 3.777 20 0 GHADHO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@]1(C(C)(C)C)CCN(Cc3ccccc3)C1)C2 ZINC001308903900 1050152119 /nfs/dbraw/zinc/15/21/19/1050152119.db2.gz FXTBQSPMZWQPRB-JDBUVZGPSA-N 1 3 384.564 3.856 20 0 GHADHO C[NH2+]CCc1ccccc1C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001331022623 1051174500 /nfs/dbraw/zinc/17/45/00/1051174500.db2.gz NNHYBOFAIQLXHW-UHFFFAOYSA-N 1 3 379.426 3.781 20 0 GHADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC[C@@H]1CCCCN1C1CC1 ZINC001311765600 1052382864 /nfs/dbraw/zinc/38/28/64/1052382864.db2.gz NHKRFMXXFQEBTL-QHCPKHFHSA-N 1 3 398.595 3.879 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC001312642263 1052821938 /nfs/dbraw/zinc/82/19/38/1052821938.db2.gz YARMZIJLHTYYHG-TZIWHRDSSA-N 1 3 392.632 3.793 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC001312642263 1052821943 /nfs/dbraw/zinc/82/19/43/1052821943.db2.gz YARMZIJLHTYYHG-TZIWHRDSSA-N 1 3 392.632 3.793 20 0 GHADHO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001318106206 1054415579 /nfs/dbraw/zinc/41/55/79/1054415579.db2.gz SKLCWRRLHFAUBB-OAQYLSRUSA-N 1 3 378.520 3.528 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001345620211 1055162884 /nfs/dbraw/zinc/16/28/84/1055162884.db2.gz YONCUKOSRCWGBO-WQYPUDFKSA-N 1 3 394.559 3.739 20 0 GHADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001345620211 1055162897 /nfs/dbraw/zinc/16/28/97/1055162897.db2.gz YONCUKOSRCWGBO-WQYPUDFKSA-N 1 3 394.559 3.739 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CSCCc4ccccc43)c2)CC1 ZINC001319393046 1055224262 /nfs/dbraw/zinc/22/42/62/1055224262.db2.gz IOAHXBWFLYJGES-QHCPKHFHSA-N 1 3 381.589 3.554 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2)C1 ZINC001319785124 1055467435 /nfs/dbraw/zinc/46/74/35/1055467435.db2.gz SQFWUKBAFBVGEF-UEVCKROQSA-N 1 3 383.580 3.924 20 0 GHADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001322075657 1056505389 /nfs/dbraw/zinc/50/53/89/1056505389.db2.gz WGRGRTQBKXBHAV-XZOQPEGZSA-N 1 3 383.580 3.684 20 0 GHADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000849001949 1057507036 /nfs/dbraw/zinc/50/70/36/1057507036.db2.gz UKVDDOZCYWJLKP-KRWDZBQOSA-N 1 3 391.972 3.604 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc2c(c1)CCCO2 ZINC001327263096 1057629570 /nfs/dbraw/zinc/62/95/70/1057629570.db2.gz HURUJJBMIRLYBF-LJQANCHMSA-N 1 3 379.548 3.610 20 0 GHADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(C)c(F)c1 ZINC001447028829 1059921296 /nfs/dbraw/zinc/92/12/96/1059921296.db2.gz LVQKQRAVKQFDJO-QFIPXVFZSA-N 1 3 389.559 3.898 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001453209129 1061092192 /nfs/dbraw/zinc/09/21/92/1061092192.db2.gz HDFWUAAMRNCQFQ-SFHVURJKSA-N 1 3 394.003 3.831 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001453209129 1061092211 /nfs/dbraw/zinc/09/22/11/1061092211.db2.gz HDFWUAAMRNCQFQ-SFHVURJKSA-N 1 3 394.003 3.831 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001438576411 1064075058 /nfs/dbraw/zinc/07/50/58/1064075058.db2.gz XVKPQQDMJWIPMJ-RPWUZVMVSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001438576411 1064075070 /nfs/dbraw/zinc/07/50/70/1064075070.db2.gz XVKPQQDMJWIPMJ-RPWUZVMVSA-N 1 3 391.559 3.679 20 0 GHADHO CCOc1c(Cl)cccc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC001464475022 1065033428 /nfs/dbraw/zinc/03/34/28/1065033428.db2.gz DXYHYZBYFCFSRQ-UHFFFAOYSA-N 1 3 393.959 3.874 20 0 GHADHO Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(C[NH+]3CCCCC3)o2)n1 ZINC001465072765 1065372563 /nfs/dbraw/zinc/37/25/63/1065372563.db2.gz IOZXVAUAYCCCRA-GOSISDBHSA-N 1 3 382.508 3.686 20 0 GHADHO CN1CC[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1(C)C ZINC001200314885 1065901778 /nfs/dbraw/zinc/90/17/78/1065901778.db2.gz ROMVTIIBKGQJLN-UXHICEINSA-N 1 3 394.003 3.954 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001477615906 1078492551 /nfs/dbraw/zinc/49/25/51/1078492551.db2.gz ZNUKNXQHGWNHNX-IRLDBZIGSA-N 1 3 398.595 3.872 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC001467688162 1067421496 /nfs/dbraw/zinc/42/14/96/1067421496.db2.gz ULNZFCAYRAIPJH-JOCHJYFZSA-N 1 3 388.600 3.519 20 0 GHADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001467804771 1067475816 /nfs/dbraw/zinc/47/58/16/1067475816.db2.gz NIHFJEJARMLIAD-GMKZXUHWSA-N 1 3 397.607 3.914 20 0 GHADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001467804771 1067475822 /nfs/dbraw/zinc/47/58/22/1067475822.db2.gz NIHFJEJARMLIAD-GMKZXUHWSA-N 1 3 397.607 3.914 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)N(C)C)cc1 ZINC001468350725 1067698057 /nfs/dbraw/zinc/69/80/57/1067698057.db2.gz KWUWEAWMSATNEG-COPCDDAFSA-N 1 3 382.552 3.588 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)N(C)C)cc1 ZINC001468350724 1067698299 /nfs/dbraw/zinc/69/82/99/1067698299.db2.gz KWUWEAWMSATNEG-BVYCBKJFSA-N 1 3 382.552 3.588 20 0 GHADHO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C12CCCC2 ZINC000849098699 1067726008 /nfs/dbraw/zinc/72/60/08/1067726008.db2.gz NRBHDCAKXLRABA-NHCUHLMSSA-N 1 3 384.568 3.503 20 0 GHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC001468760034 1067865016 /nfs/dbraw/zinc/86/50/16/1067865016.db2.gz KQQGDXAUOOGFKI-GOSISDBHSA-N 1 3 394.629 3.722 20 0 GHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC001468760034 1067865025 /nfs/dbraw/zinc/86/50/25/1067865025.db2.gz KQQGDXAUOOGFKI-GOSISDBHSA-N 1 3 394.629 3.722 20 0 GHADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187812 1068846147 /nfs/dbraw/zinc/84/61/47/1068846147.db2.gz TVTPYHVTRPADCG-UHOSZYNNSA-N 1 3 381.358 3.679 20 0 GHADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187812 1068846155 /nfs/dbraw/zinc/84/61/55/1068846155.db2.gz TVTPYHVTRPADCG-UHOSZYNNSA-N 1 3 381.358 3.679 20 0 GHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187812 1068846166 /nfs/dbraw/zinc/84/61/66/1068846166.db2.gz TVTPYHVTRPADCG-UHOSZYNNSA-N 1 3 381.358 3.679 20 0 GHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187812 1068846176 /nfs/dbraw/zinc/84/61/76/1068846176.db2.gz TVTPYHVTRPADCG-UHOSZYNNSA-N 1 3 381.358 3.679 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514798 1068984263 /nfs/dbraw/zinc/98/42/63/1068984263.db2.gz PMWGSMWRSKULHY-VXKWHMMOSA-N 1 3 387.568 3.724 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514798 1068984264 /nfs/dbraw/zinc/98/42/64/1068984264.db2.gz PMWGSMWRSKULHY-VXKWHMMOSA-N 1 3 387.568 3.724 20 0 GHADHO CC(C)N(C)C(=O)[C@H](C)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460549458 1068992911 /nfs/dbraw/zinc/99/29/11/1068992911.db2.gz WBWHRYIYKQXFIO-SIKLNZKXSA-N 1 3 385.596 3.864 20 0 GHADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)N1CCc2ccccc2C1 ZINC001472487743 1073507472 /nfs/dbraw/zinc/50/74/72/1073507472.db2.gz VLWYPIGEKMQRIM-HJOGWXRNSA-N 1 3 391.559 3.633 20 0 GHADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)N1CCc2ccccc2C1 ZINC001472487743 1073507481 /nfs/dbraw/zinc/50/74/81/1073507481.db2.gz VLWYPIGEKMQRIM-HJOGWXRNSA-N 1 3 391.559 3.633 20 0 GHADHO c1c2ccncc2sc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC001473939263 1074212053 /nfs/dbraw/zinc/21/20/53/1074212053.db2.gz SNWBRBMGVVPNPX-UHFFFAOYSA-N 1 3 394.588 3.984 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)[C@@H](C)C1 ZINC001474001687 1074232756 /nfs/dbraw/zinc/23/27/56/1074232756.db2.gz ADRJUDSVAFUBTN-UWJYYQICSA-N 1 3 390.959 3.752 20 0 GHADHO CSc1cc(Br)ccc1C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC001474067864 1074252715 /nfs/dbraw/zinc/25/27/15/1074252715.db2.gz HUHJHSPOGZQDEC-SJORKVTESA-N 1 3 399.398 3.638 20 0 GHADHO COc1cccc(C[NH2+]Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)c1C ZINC001474215508 1074297211 /nfs/dbraw/zinc/29/72/11/1074297211.db2.gz CHVDFEYZTHQRCZ-UHFFFAOYSA-N 1 3 378.419 3.677 20 0 GHADHO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001474387095 1074379370 /nfs/dbraw/zinc/37/93/70/1074379370.db2.gz PNGCABRLDLEIFU-QKQBLWMGSA-N 1 3 399.579 3.932 20 0 GHADHO FC(F)(F)c1ccn(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 ZINC001474694741 1074519501 /nfs/dbraw/zinc/51/95/01/1074519501.db2.gz MXKFTDFZFLOTJS-BZSNNMDCSA-N 1 3 378.442 3.545 20 0 GHADHO FC(F)(F)c1ccn(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC001474694741 1074519508 /nfs/dbraw/zinc/51/95/08/1074519508.db2.gz MXKFTDFZFLOTJS-BZSNNMDCSA-N 1 3 378.442 3.545 20 0 GHADHO FC(F)(F)c1ccn(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC001474694741 1074519512 /nfs/dbraw/zinc/51/95/12/1074519512.db2.gz MXKFTDFZFLOTJS-BZSNNMDCSA-N 1 3 378.442 3.545 20 0 GHADHO CC(=O)N1CC[C@H]([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000359893537 212121807 /nfs/dbraw/zinc/12/18/07/212121807.db2.gz DUIRGLOARRIGBX-AAIMPIBUSA-N 1 3 377.532 3.985 20 0 GHADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000820704531 606914980 /nfs/dbraw/zinc/91/49/80/606914980.db2.gz OPGZHQCYCACYHK-MSOLQXFVSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000820704531 606914981 /nfs/dbraw/zinc/91/49/81/606914981.db2.gz OPGZHQCYCACYHK-MSOLQXFVSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000820704531 606914982 /nfs/dbraw/zinc/91/49/82/606914982.db2.gz OPGZHQCYCACYHK-MSOLQXFVSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000820704531 606914983 /nfs/dbraw/zinc/91/49/83/606914983.db2.gz OPGZHQCYCACYHK-MSOLQXFVSA-N 1 3 382.556 3.904 20 0 GHADHO C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824956022 609345516 /nfs/dbraw/zinc/34/55/16/609345516.db2.gz PROPVXORCHVEFZ-ZLPCBKJTSA-N 1 3 386.519 3.700 20 0 GHADHO COc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079449 837403504 /nfs/dbraw/zinc/40/35/04/837403504.db2.gz CFQORBBIPQEWRK-NQIIRXRSSA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079449 837403510 /nfs/dbraw/zinc/40/35/10/837403510.db2.gz CFQORBBIPQEWRK-NQIIRXRSSA-N 1 3 395.547 3.552 20 0 GHADHO Cc1cc(Br)cc(C)c1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655703929 837693441 /nfs/dbraw/zinc/69/34/41/837693441.db2.gz NUCKFDDJQDLQKD-GOSISDBHSA-N 1 3 381.358 3.799 20 0 GHADHO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655715250 837718548 /nfs/dbraw/zinc/71/85/48/837718548.db2.gz HZWSZJXGCNRSPI-DEOSSOPVSA-N 1 3 397.563 3.645 20 0 GHADHO O=C(NC1CCCCC1)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000089639657 834586685 /nfs/dbraw/zinc/58/66/85/834586685.db2.gz ADBWCVAGBKRITB-UHFFFAOYSA-N 1 3 390.616 3.880 20 0 GHADHO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC000090028527 834596375 /nfs/dbraw/zinc/59/63/75/834596375.db2.gz MIHDNRPOZKWHMS-HXUWFJFHSA-N 1 3 379.548 3.980 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000163932716 837788291 /nfs/dbraw/zinc/78/82/91/837788291.db2.gz MPTQQQXTIDYYFO-IBGZPJMESA-N 1 3 386.971 3.984 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879899 834622319 /nfs/dbraw/zinc/62/23/19/834622319.db2.gz JVWPOBMLWSPGGE-CNNODRBYSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879899 834622323 /nfs/dbraw/zinc/62/23/23/834622323.db2.gz JVWPOBMLWSPGGE-CNNODRBYSA-N 1 3 375.520 3.971 20 0 GHADHO CCOc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1OCC(C)C ZINC000650721916 834698307 /nfs/dbraw/zinc/69/83/07/834698307.db2.gz FUPUUPXVNWEDJA-KCZVDYSFSA-N 1 3 390.568 3.981 20 0 GHADHO C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511255461 834716819 /nfs/dbraw/zinc/71/68/19/834716819.db2.gz YJLHQGDHZBAKMU-CTNGQTDRSA-N 1 3 390.616 3.547 20 0 GHADHO C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511255461 834716826 /nfs/dbraw/zinc/71/68/26/834716826.db2.gz YJLHQGDHZBAKMU-CTNGQTDRSA-N 1 3 390.616 3.547 20 0 GHADHO CN(C)C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000583824608 835098603 /nfs/dbraw/zinc/09/86/03/835098603.db2.gz CRFYTSSBSBKRKQ-FQEVSTJZSA-N 1 3 388.943 3.504 20 0 GHADHO O=c1[nH]c2ccccc2n1CCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000685606105 835217910 /nfs/dbraw/zinc/21/79/10/835217910.db2.gz NJHFEXIDLBTHOP-SFTDATJTSA-N 1 3 390.531 3.586 20 0 GHADHO O=c1[nH]c2ccccc2n1CCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000685606105 835217918 /nfs/dbraw/zinc/21/79/18/835217918.db2.gz NJHFEXIDLBTHOP-SFTDATJTSA-N 1 3 390.531 3.586 20 0 GHADHO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000685632471 835240737 /nfs/dbraw/zinc/24/07/37/835240737.db2.gz ZLGTWXPDNWXOBJ-HXUWFJFHSA-N 1 3 375.520 3.864 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(C4CC4)cc3)CC2)CC1 ZINC000583944704 835276830 /nfs/dbraw/zinc/27/68/30/835276830.db2.gz UOFSBYKHXFNLEV-GOSISDBHSA-N 1 3 383.580 3.938 20 0 GHADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1F ZINC000655162628 835323643 /nfs/dbraw/zinc/32/36/43/835323643.db2.gz NTRFTZCPSUYLSW-NRFANRHFSA-N 1 3 375.532 3.589 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1OCC ZINC000658141610 835451993 /nfs/dbraw/zinc/45/19/93/835451993.db2.gz SNGVLDAPOREABS-GCJKJVERSA-N 1 3 398.547 3.901 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1OCC ZINC000658141610 835451994 /nfs/dbraw/zinc/45/19/94/835451994.db2.gz SNGVLDAPOREABS-GCJKJVERSA-N 1 3 398.547 3.901 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cncc(Br)c1 ZINC000658165896 835481320 /nfs/dbraw/zinc/48/13/20/835481320.db2.gz SOMDWFCOQRSTAE-OAHLLOKOSA-N 1 3 389.341 3.802 20 0 GHADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166682 835482414 /nfs/dbraw/zinc/48/24/14/835482414.db2.gz KVIMWNAKGKSHRT-GOSISDBHSA-N 1 3 381.520 3.633 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCCO2 ZINC000658168461 835483631 /nfs/dbraw/zinc/48/36/31/835483631.db2.gz XIEJSRCFWLBRGZ-JOCHJYFZSA-N 1 3 381.520 3.806 20 0 GHADHO CN(CCNC(=O)C1CC[NH+](CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000471220980 835963838 /nfs/dbraw/zinc/96/38/38/835963838.db2.gz PQLMHERTCYAOEY-UHFFFAOYSA-N 1 3 393.575 3.579 20 0 GHADHO C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)N1CCN(C)CC1 ZINC000180463617 836175379 /nfs/dbraw/zinc/17/53/79/836175379.db2.gz LTUHVWZKFPGHNP-KKSFZXQISA-N 1 3 375.919 3.794 20 0 GHADHO CCOc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC(F)F ZINC000093735186 844192942 /nfs/dbraw/zinc/19/29/42/844192942.db2.gz UZFQJPZKPGFQLG-UHFFFAOYSA-N 1 3 398.494 3.764 20 0 GHADHO CC[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1OC ZINC000414321791 837098735 /nfs/dbraw/zinc/09/87/35/837098735.db2.gz FMTMBTCOXDWFAT-QFIPXVFZSA-N 1 3 395.547 3.633 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1 ZINC000659028004 837292993 /nfs/dbraw/zinc/29/29/93/837292993.db2.gz KOMCUAAPZQEQKM-VXKWHMMOSA-N 1 3 396.535 3.552 20 0 GHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1 ZINC000659032831 837318595 /nfs/dbraw/zinc/31/85/95/837318595.db2.gz HNQKXZWGBMIDJU-UTKZUKDTSA-N 1 3 396.535 3.598 20 0 GHADHO CC[N@H+](CCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CCCCC1 ZINC000659042873 837366903 /nfs/dbraw/zinc/36/69/03/837366903.db2.gz WPEAYFLUHKCIKA-NRFANRHFSA-N 1 3 388.556 3.514 20 0 GHADHO CC[N@@H+](CCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CCCCC1 ZINC000659042873 837366910 /nfs/dbraw/zinc/36/69/10/837366910.db2.gz WPEAYFLUHKCIKA-NRFANRHFSA-N 1 3 388.556 3.514 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000659285400 838201745 /nfs/dbraw/zinc/20/17/45/838201745.db2.gz OBNSLRLTGQFZLV-JPYJTQIMSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000659285400 838201760 /nfs/dbraw/zinc/20/17/60/838201760.db2.gz OBNSLRLTGQFZLV-JPYJTQIMSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659323196 838286720 /nfs/dbraw/zinc/28/67/20/838286720.db2.gz DSJICPIAVJYCIJ-AUSIDOKSSA-N 1 3 391.559 3.802 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659323199 838286921 /nfs/dbraw/zinc/28/69/21/838286921.db2.gz DSJICPIAVJYCIJ-WMZHIEFXSA-N 1 3 391.559 3.802 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000415941237 838293227 /nfs/dbraw/zinc/29/32/27/838293227.db2.gz FUNDKXOKSLIUTO-NRFANRHFSA-N 1 3 380.536 3.924 20 0 GHADHO C[NH+]1CCC(Nc2ccccc2NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)CC1 ZINC000651234190 838299422 /nfs/dbraw/zinc/29/94/22/838299422.db2.gz PVQLBNFLEIFSPY-HZPDHXFCSA-N 1 3 399.457 3.879 20 0 GHADHO C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc1 ZINC000415983530 838362949 /nfs/dbraw/zinc/36/29/49/838362949.db2.gz NTZMVIMWNHBINW-OAQYLSRUSA-N 1 3 384.524 3.618 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)N2CCCC2)cc1 ZINC000659444463 838396518 /nfs/dbraw/zinc/39/65/18/838396518.db2.gz AUJSSXCQYKMGNI-XZOQPEGZSA-N 1 3 398.595 3.553 20 0 GHADHO Cn1c2ccc(C[N@@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561729 838626465 /nfs/dbraw/zinc/62/64/65/838626465.db2.gz WWLMULLZPRYZGL-PMACEKPBSA-N 1 3 393.556 3.554 20 0 GHADHO Cn1c2ccc(C[N@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561729 838626467 /nfs/dbraw/zinc/62/64/67/838626467.db2.gz WWLMULLZPRYZGL-PMACEKPBSA-N 1 3 393.556 3.554 20 0 GHADHO c1ccc(C2CCN(CCOCC[NH+]3CCC(c4ccccn4)CC3)CC2)nc1 ZINC000378257661 838696688 /nfs/dbraw/zinc/69/66/88/838696688.db2.gz CTHSFKBPMRLUPS-UHFFFAOYSA-N 1 3 394.563 3.552 20 0 GHADHO COC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000580223417 839077108 /nfs/dbraw/zinc/07/71/08/839077108.db2.gz KUPPGXOSPXDUMG-PKTZIBPZSA-N 1 3 386.580 3.710 20 0 GHADHO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000378563597 839339727 /nfs/dbraw/zinc/33/97/27/839339727.db2.gz SLRQXWLXHLQUHO-PKOBYXMFSA-N 1 3 385.939 3.570 20 0 GHADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)NC(c3ccccc3)c3ccccc3)C2)C1 ZINC000549840780 844439706 /nfs/dbraw/zinc/43/97/06/844439706.db2.gz ONYYEXYGCWONSY-VWLOTQADSA-N 1 3 391.559 3.700 20 0 GHADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)NC(c3ccccc3)c3ccccc3)C2)C1 ZINC000549840780 844439711 /nfs/dbraw/zinc/43/97/11/844439711.db2.gz ONYYEXYGCWONSY-VWLOTQADSA-N 1 3 391.559 3.700 20 0 GHADHO C[N@H+](CCOc1cccc(CNCc2cc3ccccc3[nH]2)c1)C1CCOCC1 ZINC000683926816 839490919 /nfs/dbraw/zinc/49/09/19/839490919.db2.gz FRUZBGZJFYGCJK-UHFFFAOYSA-N 1 3 393.531 3.947 20 0 GHADHO C[N@@H+](CCOc1cccc(CNCc2cc3ccccc3[nH]2)c1)C1CCOCC1 ZINC000683926816 839490926 /nfs/dbraw/zinc/49/09/26/839490926.db2.gz FRUZBGZJFYGCJK-UHFFFAOYSA-N 1 3 393.531 3.947 20 0 GHADHO Brc1ccccc1-c1cnc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000580452010 839575147 /nfs/dbraw/zinc/57/51/47/839575147.db2.gz OSZWMTTUTSKTAN-OKILXGFUSA-N 1 3 376.298 3.536 20 0 GHADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000471598332 839862212 /nfs/dbraw/zinc/86/22/12/839862212.db2.gz VUEIVUFPQJSLBG-RTBURBONSA-N 1 3 385.552 3.696 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCN1Cc1ccccc1 ZINC000581210511 840855578 /nfs/dbraw/zinc/85/55/78/840855578.db2.gz NNYDEMKJIQHBDE-OFVILXPXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccccc2CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000581210511 840855593 /nfs/dbraw/zinc/85/55/93/840855593.db2.gz NNYDEMKJIQHBDE-OFVILXPXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccccc2CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000581210511 840855603 /nfs/dbraw/zinc/85/56/03/840855603.db2.gz NNYDEMKJIQHBDE-OFVILXPXSA-N 1 3 393.575 3.662 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373263 840863069 /nfs/dbraw/zinc/86/30/69/840863069.db2.gz OPFCBRHPDFQBPP-PXNSSMCTSA-N 1 3 389.337 3.594 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373263 840863076 /nfs/dbraw/zinc/86/30/76/840863076.db2.gz OPFCBRHPDFQBPP-PXNSSMCTSA-N 1 3 389.337 3.594 20 0 GHADHO c1ccc([C@@H]2CCCN(CCOCC[N@@H+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628679 841023988 /nfs/dbraw/zinc/02/39/88/841023988.db2.gz VOPFHYDAWHXLJC-SZPZYZBQSA-N 1 3 394.563 3.552 20 0 GHADHO c1ccc([C@@H]2CCCN(CCOCC[N@H+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628679 841024001 /nfs/dbraw/zinc/02/40/01/841024001.db2.gz VOPFHYDAWHXLJC-SZPZYZBQSA-N 1 3 394.563 3.552 20 0 GHADHO c1ccc([C@@H]2CCC[N@@H+](CCOCCN3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628679 841024010 /nfs/dbraw/zinc/02/40/10/841024010.db2.gz VOPFHYDAWHXLJC-SZPZYZBQSA-N 1 3 394.563 3.552 20 0 GHADHO c1ccc([C@@H]2CCC[N@H+](CCOCCN3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628679 841024017 /nfs/dbraw/zinc/02/40/17/841024017.db2.gz VOPFHYDAWHXLJC-SZPZYZBQSA-N 1 3 394.563 3.552 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549475432 841049415 /nfs/dbraw/zinc/04/94/15/841049415.db2.gz FISDXOSPAAYCOL-FXAWDEMLSA-N 1 3 394.991 3.897 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549475432 841049429 /nfs/dbraw/zinc/04/94/29/841049429.db2.gz FISDXOSPAAYCOL-FXAWDEMLSA-N 1 3 394.991 3.897 20 0 GHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000549542427 841605687 /nfs/dbraw/zinc/60/56/87/841605687.db2.gz FXAPCDQYQIMMJY-PXNSSMCTSA-N 1 3 394.991 3.610 20 0 GHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000549542427 841605693 /nfs/dbraw/zinc/60/56/93/841605693.db2.gz FXAPCDQYQIMMJY-PXNSSMCTSA-N 1 3 394.991 3.610 20 0 GHADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000418194887 841635859 /nfs/dbraw/zinc/63/58/59/841635859.db2.gz GBTSITTYSVEYDL-HTAPYJJXSA-N 1 3 398.551 3.596 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000418225934 841669562 /nfs/dbraw/zinc/66/95/62/841669562.db2.gz AGCPRCSYEKZXGE-FOIQADDNSA-N 1 3 386.565 3.530 20 0 GHADHO Cc1c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000178035844 861297303 /nfs/dbraw/zinc/29/73/03/861297303.db2.gz BMLULSNDCXNUES-KSZLIROESA-N 1 3 388.531 3.860 20 0 GHADHO Cc1c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000178035833 861297349 /nfs/dbraw/zinc/29/73/49/861297349.db2.gz BMLULSNDCXNUES-FGTMMUONSA-N 1 3 388.531 3.860 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])[C@H](C)C1 ZINC000248480555 842679920 /nfs/dbraw/zinc/67/99/20/842679920.db2.gz APBSXEURLPPBTC-RKVPGOIHSA-N 1 3 399.373 3.942 20 0 GHADHO CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])[C@H](C)C1 ZINC000248480555 842679925 /nfs/dbraw/zinc/67/99/25/842679925.db2.gz APBSXEURLPPBTC-RKVPGOIHSA-N 1 3 399.373 3.942 20 0 GHADHO Cc1sc([C@H](C)NC[C@@H]2CCC3(C[NH2+]C3)O2)nc1-c1ccc(Cl)cc1 ZINC000662281157 843060108 /nfs/dbraw/zinc/06/01/08/843060108.db2.gz IYSVVLIGHWBTBH-LRDDRELGSA-N 1 3 377.941 3.944 20 0 GHADHO [NH3+]CCCn1ccc2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)ccc21 ZINC000430846200 843067603 /nfs/dbraw/zinc/06/76/03/843067603.db2.gz GICAZKNXXUISPD-QHCPKHFHSA-N 1 3 390.531 3.557 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000662290433 843081633 /nfs/dbraw/zinc/08/16/33/843081633.db2.gz CSNHTQOSQNTWLM-BXWFABGCSA-N 1 3 377.960 3.617 20 0 GHADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc21 ZINC000662347165 843153998 /nfs/dbraw/zinc/15/39/98/843153998.db2.gz CVCCOTOIPNAWNY-FYYLOGMGSA-N 1 3 377.532 3.632 20 0 GHADHO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430926057 843194225 /nfs/dbraw/zinc/19/42/25/843194225.db2.gz FMZJBAKJEYIDSJ-UHFFFAOYSA-N 1 3 389.341 3.519 20 0 GHADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000430960513 843266262 /nfs/dbraw/zinc/26/62/62/843266262.db2.gz JSABAMXZTDLXFN-QGZVFWFLSA-N 1 3 375.532 3.546 20 0 GHADHO C[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCN1Cc1ccccc1 ZINC000662482228 843312913 /nfs/dbraw/zinc/31/29/13/843312913.db2.gz JTYLWWQJRJQIBG-AUSIDOKSSA-N 1 3 391.559 3.802 20 0 GHADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662505764 843351187 /nfs/dbraw/zinc/35/11/87/843351187.db2.gz QLUIFPOXZHKSRJ-LEWJYISDSA-N 1 3 397.567 3.588 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468239 843673194 /nfs/dbraw/zinc/67/31/94/843673194.db2.gz KSDSSVGYRYYNHF-YLJYHZDGSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468239 843673199 /nfs/dbraw/zinc/67/31/99/843673199.db2.gz KSDSSVGYRYYNHF-YLJYHZDGSA-N 1 3 391.987 3.789 20 0 GHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468239 843673201 /nfs/dbraw/zinc/67/32/01/843673201.db2.gz KSDSSVGYRYYNHF-YLJYHZDGSA-N 1 3 391.987 3.789 20 0 GHADHO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199827 843823795 /nfs/dbraw/zinc/82/37/95/843823795.db2.gz MXRAGOYNCLXOJI-DBVUQKKJSA-N 1 3 382.504 3.890 20 0 GHADHO COC(=O)c1cc([C@H](C)[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199827 843823806 /nfs/dbraw/zinc/82/38/06/843823806.db2.gz MXRAGOYNCLXOJI-DBVUQKKJSA-N 1 3 382.504 3.890 20 0 GHADHO COCc1ccccc1/C=C(\C)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000512467835 843911298 /nfs/dbraw/zinc/91/12/98/843911298.db2.gz GDYVSXFWLALTRD-HEHNFIMWSA-N 1 3 385.596 3.586 20 0 GHADHO CN1CC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)[C@H]1c1ccccc1 ZINC000536233660 843915514 /nfs/dbraw/zinc/91/55/14/843915514.db2.gz QLIDVWAGQDCTEA-AKIFATBCSA-N 1 3 398.595 3.729 20 0 GHADHO Cc1nn(C)c2ncc(CNCc3ccc(C[N@H+]4CCCC[C@H]4C)cc3)cc12 ZINC000237354324 843932802 /nfs/dbraw/zinc/93/28/02/843932802.db2.gz NQZHDWPERPXFNJ-QGZVFWFLSA-N 1 3 377.536 3.941 20 0 GHADHO Cc1nn(C)c2ncc(CNCc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)cc12 ZINC000237354324 843932823 /nfs/dbraw/zinc/93/28/23/843932823.db2.gz NQZHDWPERPXFNJ-QGZVFWFLSA-N 1 3 377.536 3.941 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237640855 843962095 /nfs/dbraw/zinc/96/20/95/843962095.db2.gz VZYWUTMEIILHGY-DYESRHJHSA-N 1 3 383.561 3.818 20 0 GHADHO Cc1noc(C[C@@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc2)n1 ZINC000277126139 844709825 /nfs/dbraw/zinc/70/98/25/844709825.db2.gz NZXWBSUSVFRXBU-VGOFRKELSA-N 1 3 394.519 3.953 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC000152137989 844835399 /nfs/dbraw/zinc/83/53/99/844835399.db2.gz LDDOIWQOENADMO-SFHVURJKSA-N 1 3 395.551 3.560 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000512646859 844875239 /nfs/dbraw/zinc/87/52/39/844875239.db2.gz DQMNMHZBIPTTAV-OOYIDZMOSA-N 1 3 383.580 3.524 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000512659711 844937854 /nfs/dbraw/zinc/93/78/54/844937854.db2.gz JJULIEKXULGYGE-YTFSRNRJSA-N 1 3 376.548 3.787 20 0 GHADHO C[C@@H](C(=O)NCc1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433053673 845096291 /nfs/dbraw/zinc/09/62/91/845096291.db2.gz PZZOAJUHZWWXGJ-NRFANRHFSA-N 1 3 391.559 3.679 20 0 GHADHO CCc1oc(C(=O)OC)cc1CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179392746 861561621 /nfs/dbraw/zinc/56/16/21/861561621.db2.gz QAYVMQPRVHTHHY-UHFFFAOYSA-N 1 3 385.508 3.762 20 0 GHADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433170039 845564660 /nfs/dbraw/zinc/56/46/60/845564660.db2.gz ZOUAJVFTDGVLFN-HSZRJFAPSA-N 1 3 391.559 3.804 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000513543376 845633669 /nfs/dbraw/zinc/63/36/69/845633669.db2.gz SCIYQBUBRLHXQJ-RXVVDRJESA-N 1 3 398.551 3.673 20 0 GHADHO C[C@@H](CCNC(=O)c1cccc(CN2CCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000472067777 845685445 /nfs/dbraw/zinc/68/54/45/845685445.db2.gz KUOYZLARCOZWTQ-FQEVSTJZSA-N 1 3 379.548 3.923 20 0 GHADHO C[C@@H](CCNC(=O)c1cccc(CN2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472067777 845685450 /nfs/dbraw/zinc/68/54/50/845685450.db2.gz KUOYZLARCOZWTQ-FQEVSTJZSA-N 1 3 379.548 3.923 20 0 GHADHO CN1CCN(CC[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1(C)C ZINC000421353523 846163103 /nfs/dbraw/zinc/16/31/03/846163103.db2.gz FYHKFEWIYKARMP-UHFFFAOYSA-N 1 3 395.595 3.781 20 0 GHADHO CN(C[C@H]1CCCN1c1cccnn1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000513623956 846163488 /nfs/dbraw/zinc/16/34/88/846163488.db2.gz HOKOQDOHAHERKZ-OAQYLSRUSA-N 1 3 381.568 3.535 20 0 GHADHO CN(C[C@H]1CCCN1c1cccnn1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513623956 846163497 /nfs/dbraw/zinc/16/34/97/846163497.db2.gz HOKOQDOHAHERKZ-OAQYLSRUSA-N 1 3 381.568 3.535 20 0 GHADHO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513656378 846198350 /nfs/dbraw/zinc/19/83/50/846198350.db2.gz RZTRNQGRXYOOAJ-OEMFJLHTSA-N 1 3 380.580 3.860 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccc(C3CCCC3)c2)c1 ZINC000657345534 846409124 /nfs/dbraw/zinc/40/91/24/846409124.db2.gz SYGDNTICTZUMPR-UHFFFAOYSA-N 1 3 379.548 3.925 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000582131447 846432119 /nfs/dbraw/zinc/43/21/19/846432119.db2.gz IEBSWSDEAOEOIT-RPWUZVMVSA-N 1 3 397.607 3.977 20 0 GHADHO Cc1ccc(-c2ncc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)s2)o1 ZINC000414545686 846477424 /nfs/dbraw/zinc/47/74/24/846477424.db2.gz FOABJSONZROGMJ-UHFFFAOYSA-N 1 3 397.544 3.828 20 0 GHADHO Cc1ccc(-c2ncc(CNCC3(O)CC[NH+](Cc4ccccc4)CC3)s2)o1 ZINC000414545686 846477434 /nfs/dbraw/zinc/47/74/34/846477434.db2.gz FOABJSONZROGMJ-UHFFFAOYSA-N 1 3 397.544 3.828 20 0 GHADHO CCN(CC)C(=O)[C@H](c1ccccc1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019121 846555046 /nfs/dbraw/zinc/55/50/46/846555046.db2.gz HLXYFWCDDMZNFR-QHCPKHFHSA-N 1 3 394.563 3.840 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000502896271 846589199 /nfs/dbraw/zinc/58/91/99/846589199.db2.gz UJJCUGDIWGLUEY-IFMALSPDSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000502896271 846589204 /nfs/dbraw/zinc/58/92/04/846589204.db2.gz UJJCUGDIWGLUEY-IFMALSPDSA-N 1 3 386.584 3.777 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000582189997 846607129 /nfs/dbraw/zinc/60/71/29/846607129.db2.gz HEWGRZYHIFWOJO-IBGZPJMESA-N 1 3 397.607 3.939 20 0 GHADHO CN(C)[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000124809476 846614371 /nfs/dbraw/zinc/61/43/71/846614371.db2.gz OYTKBJJPRKLGFS-QHCPKHFHSA-N 1 3 387.518 3.864 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H](C)O1 ZINC000657368088 846623639 /nfs/dbraw/zinc/62/36/39/846623639.db2.gz UQUBBKYVGZUTEZ-HDICACEKSA-N 1 3 387.499 3.992 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000501161802 846693206 /nfs/dbraw/zinc/69/32/06/846693206.db2.gz GNWFBKFCHUZPCY-UXHICEINSA-N 1 3 388.581 3.733 20 0 GHADHO NC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513714122 846903953 /nfs/dbraw/zinc/90/39/53/846903953.db2.gz YQURIZVWTYIGRE-DNVJHFABSA-N 1 3 377.532 3.566 20 0 GHADHO NC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513714122 846903962 /nfs/dbraw/zinc/90/39/62/846903962.db2.gz YQURIZVWTYIGRE-DNVJHFABSA-N 1 3 377.532 3.566 20 0 GHADHO CCc1nc2ccccc2n1C1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420363973 847140678 /nfs/dbraw/zinc/14/06/78/847140678.db2.gz CGARTNZORDKRCM-IBGZPJMESA-N 1 3 392.547 3.987 20 0 GHADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1SC ZINC000272740610 847160430 /nfs/dbraw/zinc/16/04/30/847160430.db2.gz KWKPTCDQNADHJB-OXJNMPFZSA-N 1 3 386.561 3.835 20 0 GHADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1SC ZINC000272740610 847160435 /nfs/dbraw/zinc/16/04/35/847160435.db2.gz KWKPTCDQNADHJB-OXJNMPFZSA-N 1 3 386.561 3.835 20 0 GHADHO FC(F)(F)Oc1cccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422734486 847789193 /nfs/dbraw/zinc/78/91/93/847789193.db2.gz SKNFKZBKGKPIDM-KLIQENQMSA-N 1 3 383.458 3.674 20 0 GHADHO OC1(CNCc2cccc(F)c2OC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000657496837 847794963 /nfs/dbraw/zinc/79/49/63/847794963.db2.gz RTBJGKKMPRXBMG-UHFFFAOYSA-N 1 3 394.437 3.544 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422725814 847798583 /nfs/dbraw/zinc/79/85/83/847798583.db2.gz CJXURRWFDISMEL-JKSUJKDBSA-N 1 3 389.503 3.908 20 0 GHADHO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)cc1 ZINC000422881480 847867527 /nfs/dbraw/zinc/86/75/27/847867527.db2.gz NVEAKWZCEUXNIZ-FGZHOGPDSA-N 1 3 381.520 3.762 20 0 GHADHO C[C@H](CCCC[NH3+])N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000422920262 847902940 /nfs/dbraw/zinc/90/29/40/847902940.db2.gz MCJNBFLXNDITJD-JLTOFOAXSA-N 1 3 396.503 3.565 20 0 GHADHO FC(F)(F)c1ccccc1OCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422961062 847916563 /nfs/dbraw/zinc/91/65/63/847916563.db2.gz YJQBGIYDNLGBKB-XLIONFOSSA-N 1 3 392.421 3.930 20 0 GHADHO Fc1ccc([C@@H]2OCC[C@@H]2N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000423016839 847938693 /nfs/dbraw/zinc/93/86/93/847938693.db2.gz NJXNOAULYNZYFA-BLKABHOGSA-N 1 3 386.442 3.640 20 0 GHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1Br ZINC000423093122 847976236 /nfs/dbraw/zinc/97/62/36/847976236.db2.gz FWHUYFLQPJANPU-CQAXQDJESA-N 1 3 397.332 3.581 20 0 GHADHO Cc1ncsc1-c1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657596027 848291172 /nfs/dbraw/zinc/29/11/72/848291172.db2.gz LBTSUIRGBNSJSF-JOCHJYFZSA-N 1 3 393.556 3.975 20 0 GHADHO Cc1ncsc1-c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657596027 848291182 /nfs/dbraw/zinc/29/11/82/848291182.db2.gz LBTSUIRGBNSJSF-JOCHJYFZSA-N 1 3 393.556 3.975 20 0 GHADHO CCN1CCCC[C@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000600441778 861970035 /nfs/dbraw/zinc/97/00/35/861970035.db2.gz NKHRVXXBILEQFL-UXHICEINSA-N 1 3 387.568 3.544 20 0 GHADHO CCN1CCCC[C@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000600441778 861970037 /nfs/dbraw/zinc/97/00/37/861970037.db2.gz NKHRVXXBILEQFL-UXHICEINSA-N 1 3 387.568 3.544 20 0 GHADHO COc1cccc(-c2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)c1OC ZINC000583087639 849036183 /nfs/dbraw/zinc/03/61/83/849036183.db2.gz ZBCXJQDRMLOOJJ-CVEARBPZSA-N 1 3 387.549 3.649 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000458486204 849668074 /nfs/dbraw/zinc/66/80/74/849668074.db2.gz JJVGIZQWTCAXSN-UHFFFAOYSA-N 1 3 392.613 3.618 20 0 GHADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423130188 849751864 /nfs/dbraw/zinc/75/18/64/849751864.db2.gz MVIXDMYDYGNWIS-IRNNPGBSSA-N 1 3 388.939 3.940 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccc(C)c(C)c3)C3CC3)CC2)CC1 ZINC000583390631 849775100 /nfs/dbraw/zinc/77/51/00/849775100.db2.gz XGWRBAAQPHJCKU-UHFFFAOYSA-N 1 3 397.607 3.991 20 0 GHADHO CC(=O)NCCc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000423478716 849940692 /nfs/dbraw/zinc/94/06/92/849940692.db2.gz UMBDJVKEQMIZOD-OUPRXKBMSA-N 1 3 397.538 3.548 20 0 GHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424166677 850274066 /nfs/dbraw/zinc/27/40/66/850274066.db2.gz GJMCTKPETQSQIH-WIYYLYMNSA-N 1 3 386.584 3.801 20 0 GHADHO C[C@H]1C[C@H](NCCNC(=O)CCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000424189073 850281056 /nfs/dbraw/zinc/28/10/56/850281056.db2.gz MTHPSURDLMWBIX-XUZZJYLKSA-N 1 3 393.575 3.768 20 0 GHADHO C[C@H]1C[C@H](NCCNC(=O)CCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000424189073 850281066 /nfs/dbraw/zinc/28/10/66/850281066.db2.gz MTHPSURDLMWBIX-XUZZJYLKSA-N 1 3 393.575 3.768 20 0 GHADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C[C@H]21 ZINC000435383804 850448479 /nfs/dbraw/zinc/44/84/79/850448479.db2.gz KCNZRDKYDMHFQP-YMPZKCBVSA-N 1 3 387.531 3.553 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000514236853 851443227 /nfs/dbraw/zinc/44/32/27/851443227.db2.gz ZGYVTYQSOHYMLB-URVUXULASA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000514236853 851443238 /nfs/dbraw/zinc/44/32/38/851443238.db2.gz ZGYVTYQSOHYMLB-URVUXULASA-N 1 3 386.584 3.694 20 0 GHADHO Brc1ccc2c(c1)C[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167960697 851511208 /nfs/dbraw/zinc/51/12/08/851511208.db2.gz AENXEHBOQKHYEW-UMQXSMKFSA-N 1 3 375.354 3.911 20 0 GHADHO Brc1ccc2c(c1)C[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167960697 851511215 /nfs/dbraw/zinc/51/12/15/851511215.db2.gz AENXEHBOQKHYEW-UMQXSMKFSA-N 1 3 375.354 3.911 20 0 GHADHO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000516467762 852618584 /nfs/dbraw/zinc/61/85/84/852618584.db2.gz IRRIVXVMBGZXMU-ZRCGQRJVSA-N 1 3 393.531 3.697 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000507473618 852946971 /nfs/dbraw/zinc/94/69/71/852946971.db2.gz VQVKNFKGKUQFPF-ZJSXRUAMSA-N 1 3 393.575 3.914 20 0 GHADHO C[C@@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151039948 852986962 /nfs/dbraw/zinc/98/69/62/852986962.db2.gz WIDOUFMUHRTVHM-LJQANCHMSA-N 1 3 395.547 3.995 20 0 GHADHO CSC1(CNCc2c(Cl)cc(Cl)cc2N(C)C)CC[NH+](C)CC1 ZINC000516940387 853182643 /nfs/dbraw/zinc/18/26/43/853182643.db2.gz ZZVZECISEQUOFP-UHFFFAOYSA-N 1 3 376.397 3.976 20 0 GHADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000491015991 853417579 /nfs/dbraw/zinc/41/75/79/853417579.db2.gz BDDOZWQHTKGCOC-YADARESESA-N 1 3 382.548 3.975 20 0 GHADHO COc1cccc(NC(=O)C[C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000414991826 853479883 /nfs/dbraw/zinc/47/98/83/853479883.db2.gz BFXZCZBGOKNZLF-SGXKBVARSA-N 1 3 399.510 3.534 20 0 GHADHO C[C@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000518543606 853480488 /nfs/dbraw/zinc/48/04/88/853480488.db2.gz OGIOCOCIJDDOPU-PTLVVNQVSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000518543606 853480503 /nfs/dbraw/zinc/48/05/03/853480503.db2.gz OGIOCOCIJDDOPU-PTLVVNQVSA-N 1 3 398.595 3.603 20 0 GHADHO CN(C)[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000506166054 853688788 /nfs/dbraw/zinc/68/87/88/853688788.db2.gz HNNWPFUWKSAAGF-JOCHJYFZSA-N 1 3 386.584 3.587 20 0 GHADHO COC1CCN(C2(C[NH2+][C@H]3CCN(C)[C@@H](c4ccccc4)C3)CCCC2)CC1 ZINC000572467967 854537422 /nfs/dbraw/zinc/53/74/22/854537422.db2.gz PZOCXBAHRWBKSH-JTHBVZDNSA-N 1 3 385.596 3.835 20 0 GHADHO COc1ccc([C@@H]2C[C@@H](N3CCC([NH3+])(c4ccc(OC)cc4)CC3)CCO2)cc1 ZINC001168621897 855150584 /nfs/dbraw/zinc/15/05/84/855150584.db2.gz AIRHHWHZSMHAHO-REWPJTCUSA-N 1 3 396.531 3.874 20 0 GHADHO CCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459060761 855378455 /nfs/dbraw/zinc/37/84/55/855378455.db2.gz OQKGNGNQNVFGLF-WVUPVLJSSA-N 1 3 398.595 3.698 20 0 GHADHO CCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459060761 855378459 /nfs/dbraw/zinc/37/84/59/855378459.db2.gz OQKGNGNQNVFGLF-WVUPVLJSSA-N 1 3 398.595 3.698 20 0 GHADHO C[C@@H]1CCCCN1CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591096381 855760115 /nfs/dbraw/zinc/76/01/15/855760115.db2.gz IHVJHWJNLAFHTD-UXHICEINSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H]1CCCCN1CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591096381 855760118 /nfs/dbraw/zinc/76/01/18/855760118.db2.gz IHVJHWJNLAFHTD-UXHICEINSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C[NH+]1CCCC1 ZINC000303011349 856000645 /nfs/dbraw/zinc/00/06/45/856000645.db2.gz WZEXUSVAMHHEGS-RTBURBONSA-N 1 3 392.613 3.552 20 0 GHADHO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000567889758 862747273 /nfs/dbraw/zinc/74/72/73/862747273.db2.gz RJCJLWONOPBWEP-XJUOHMSHSA-N 1 3 377.532 3.915 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000591541619 856098357 /nfs/dbraw/zinc/09/83/57/856098357.db2.gz AGUAHSNISDNPEC-YADHBBJMSA-N 1 3 386.584 3.512 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000591580469 856162902 /nfs/dbraw/zinc/16/29/02/856162902.db2.gz BWUZFWNTLRQAOP-IFMALSPDSA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000591580469 856162905 /nfs/dbraw/zinc/16/29/05/856162905.db2.gz BWUZFWNTLRQAOP-IFMALSPDSA-N 1 3 386.584 3.552 20 0 GHADHO CN1CCCC[C@H]1CC[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000760879896 856209715 /nfs/dbraw/zinc/20/97/15/856209715.db2.gz JYGNQLQJURPHQG-IBGZPJMESA-N 1 3 379.589 3.972 20 0 GHADHO CN1CCCC[C@@H]1CC[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000760879900 856210415 /nfs/dbraw/zinc/21/04/15/856210415.db2.gz JYGNQLQJURPHQG-LJQANCHMSA-N 1 3 379.589 3.972 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000485303815 856336828 /nfs/dbraw/zinc/33/68/28/856336828.db2.gz GYQQDJXXQKOPPH-UHFFFAOYSA-N 1 3 398.595 3.619 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)N2CCCC2)cc1 ZINC000166327879 856847219 /nfs/dbraw/zinc/84/72/19/856847219.db2.gz YIFMODYQZGCGFW-HSZRJFAPSA-N 1 3 391.559 3.570 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c(-c4ncco4)c3)CC2)CC1 ZINC000574051389 857229248 /nfs/dbraw/zinc/22/92/48/857229248.db2.gz IHEYXWKLSRAZCP-UHFFFAOYSA-N 1 3 396.535 3.785 20 0 GHADHO CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cc(F)cc(Br)c1 ZINC000181500586 862903079 /nfs/dbraw/zinc/90/30/79/862903079.db2.gz XESGCUXLZKHAJG-KBXCAEBGSA-N 1 3 386.353 3.655 20 0 GHADHO [NH3+]CCC[C@@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)c1ccccc1 ZINC000669483768 857504680 /nfs/dbraw/zinc/50/46/80/857504680.db2.gz LZLGWAOXIFQNKC-PKTZIBPZSA-N 1 3 394.563 3.993 20 0 GHADHO C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N1CCC(Cc2ccccc2)CC1 ZINC000521106325 857605911 /nfs/dbraw/zinc/60/59/11/857605911.db2.gz KJDIFWHORXVYRI-FQEVSTJZSA-N 1 3 393.575 3.708 20 0 GHADHO C[C@H](CCN1CCC2(CCC(O)CC2)CC1)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451151126 857814503 /nfs/dbraw/zinc/81/45/03/857814503.db2.gz AJWSYSSYFYOHFT-HXUWFJFHSA-N 1 3 392.628 3.799 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)C[C@H](C)N1Cc1ccccc1 ZINC001168019412 858777072 /nfs/dbraw/zinc/77/70/72/858777072.db2.gz IWAGNXKPYGYCSU-NNTZPNAXSA-N 1 3 377.532 3.971 20 0 GHADHO COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000479062349 858825034 /nfs/dbraw/zinc/82/50/34/858825034.db2.gz PEAWARHCAUATAU-DENIHFKCSA-N 1 3 380.532 3.845 20 0 GHADHO CC(C)N(C)c1ccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000483297469 859278183 /nfs/dbraw/zinc/27/81/83/859278183.db2.gz PQPWGEDJIQIGCK-PMACEKPBSA-N 1 3 388.600 3.638 20 0 GHADHO COc1cccc(COCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000499187108 881404927 /nfs/dbraw/zinc/40/49/27/881404927.db2.gz DEAGPOZJJXSUGX-NUNAXRQHSA-N 1 3 380.532 3.997 20 0 GHADHO COc1cccc(COCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499187108 881404968 /nfs/dbraw/zinc/40/49/68/881404968.db2.gz DEAGPOZJJXSUGX-NUNAXRQHSA-N 1 3 380.532 3.997 20 0 GHADHO Cc1ccc([C@@H]2CCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000051761637 859313363 /nfs/dbraw/zinc/31/33/63/859313363.db2.gz JUJMSGVYRCEAQI-QHCPKHFHSA-N 1 3 398.595 3.709 20 0 GHADHO Cc1ccc(CCC[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cn1 ZINC000856558282 881420063 /nfs/dbraw/zinc/42/00/63/881420063.db2.gz FKRDXRJKBJXPIT-QHCPKHFHSA-N 1 3 382.552 3.711 20 0 GHADHO Cc1ccc(CCC[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cn1 ZINC000856558282 881420084 /nfs/dbraw/zinc/42/00/84/881420084.db2.gz FKRDXRJKBJXPIT-QHCPKHFHSA-N 1 3 382.552 3.711 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1ccsc1 ZINC000483728044 859582282 /nfs/dbraw/zinc/58/22/82/859582282.db2.gz OQYVSBXAJGSYCM-NEWSRXKRSA-N 1 3 380.602 3.645 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccsc1 ZINC000483728044 859582286 /nfs/dbraw/zinc/58/22/86/859582286.db2.gz OQYVSBXAJGSYCM-NEWSRXKRSA-N 1 3 380.602 3.645 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000611286031 859682850 /nfs/dbraw/zinc/68/28/50/859682850.db2.gz CWAYMAFVVXFGOO-LJQANCHMSA-N 1 3 376.541 3.571 20 0 GHADHO CCOc1ccccc1CN1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856562196 881471653 /nfs/dbraw/zinc/47/16/53/881471653.db2.gz VUTYDPHDQLXBRA-JOCHJYFZSA-N 1 3 383.536 3.974 20 0 GHADHO CCOc1ccccc1CN1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856562196 881471672 /nfs/dbraw/zinc/47/16/72/881471672.db2.gz VUTYDPHDQLXBRA-JOCHJYFZSA-N 1 3 383.536 3.974 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000765266878 859883911 /nfs/dbraw/zinc/88/39/11/859883911.db2.gz JKRWIURBBQFFKF-GCJKJVERSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000765266878 859883914 /nfs/dbraw/zinc/88/39/14/859883914.db2.gz JKRWIURBBQFFKF-GCJKJVERSA-N 1 3 379.504 3.643 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000484288116 859925619 /nfs/dbraw/zinc/92/56/19/859925619.db2.gz HQTFWHFCARQXLI-CUWPLCDZSA-N 1 3 379.976 3.645 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000484288116 859925625 /nfs/dbraw/zinc/92/56/25/859925625.db2.gz HQTFWHFCARQXLI-CUWPLCDZSA-N 1 3 379.976 3.645 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369586 859931775 /nfs/dbraw/zinc/93/17/75/859931775.db2.gz HPMUDDAAKNNWEO-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369586 859931784 /nfs/dbraw/zinc/93/17/84/859931784.db2.gz HPMUDDAAKNNWEO-YKSBVNFPSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698910 860418321 /nfs/dbraw/zinc/41/83/21/860418321.db2.gz VEQJFFJWYWQIMV-NPPFBWRTSA-N 1 3 377.532 3.909 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698910 860418327 /nfs/dbraw/zinc/41/83/27/860418327.db2.gz VEQJFFJWYWQIMV-NPPFBWRTSA-N 1 3 377.532 3.909 20 0 GHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000474602804 860447116 /nfs/dbraw/zinc/44/71/16/860447116.db2.gz UIBOKAGKPHRAOK-HCXYKTFWSA-N 1 3 378.557 3.675 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856603549 881577726 /nfs/dbraw/zinc/57/77/26/881577726.db2.gz BMYFLFBBXJYWKV-HSZRJFAPSA-N 1 3 389.584 3.972 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856603549 881577734 /nfs/dbraw/zinc/57/77/34/881577734.db2.gz BMYFLFBBXJYWKV-HSZRJFAPSA-N 1 3 389.584 3.972 20 0 GHADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000281585798 863268233 /nfs/dbraw/zinc/26/82/33/863268233.db2.gz LLLLEBQYBVPKJU-UGKGYDQZSA-N 1 3 384.495 3.568 20 0 GHADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000281585798 863268249 /nfs/dbraw/zinc/26/82/49/863268249.db2.gz LLLLEBQYBVPKJU-UGKGYDQZSA-N 1 3 384.495 3.568 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN(CCc2cccc(F)c2)C2CCCC2)CC1 ZINC000152578141 881662607 /nfs/dbraw/zinc/66/26/07/881662607.db2.gz YLDJZINXWYGUAX-UHFFFAOYSA-N 1 3 389.559 3.602 20 0 GHADHO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000606622141 863741002 /nfs/dbraw/zinc/74/10/02/863741002.db2.gz UFFYZJNFHGZAFN-PKOBYXMFSA-N 1 3 392.613 3.551 20 0 GHADHO O=c1[nH]ccc2oc(CN[C@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC000898516933 864073633 /nfs/dbraw/zinc/07/36/33/864073633.db2.gz FRJJSSHUNIKXFG-QYZOEREBSA-N 1 3 377.488 3.924 20 0 GHADHO O=c1[nH]ccc2oc(CN[C@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC000898516933 864073648 /nfs/dbraw/zinc/07/36/48/864073648.db2.gz FRJJSSHUNIKXFG-QYZOEREBSA-N 1 3 377.488 3.924 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000734273205 864111430 /nfs/dbraw/zinc/11/14/30/864111430.db2.gz KKIVDSCKBUNEBC-OAQYLSRUSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000480230114 864312155 /nfs/dbraw/zinc/31/21/55/864312155.db2.gz QZEBGQDDBOJJSN-SDUSCBPUSA-N 1 3 393.575 3.560 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000480230114 864312161 /nfs/dbraw/zinc/31/21/61/864312161.db2.gz QZEBGQDDBOJJSN-SDUSCBPUSA-N 1 3 393.575 3.560 20 0 GHADHO Cc1cccn2cc(COc3ccc(CNC4CC[NH+](C5CC5)CC4)cc3)nc12 ZINC000063313015 864540075 /nfs/dbraw/zinc/54/00/75/864540075.db2.gz LKWGREILXJFRTE-UHFFFAOYSA-N 1 3 390.531 3.938 20 0 GHADHO COc1cc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1OCc1ccccc1 ZINC000622044312 864728174 /nfs/dbraw/zinc/72/81/74/864728174.db2.gz APSPSFUDHUVJCR-WCRBZPEASA-N 1 3 396.531 3.698 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000554831579 864970494 /nfs/dbraw/zinc/97/04/94/864970494.db2.gz UYVHVVMOPJOUTL-HSZRJFAPSA-N 1 3 382.548 3.606 20 0 GHADHO FC(F)(F)c1ccc(CN2CC[C@@H]([NH2+]C3CCN(CC4CC4)CC3)C2)cc1 ZINC000169097777 865057414 /nfs/dbraw/zinc/05/74/14/865057414.db2.gz RBPRHWWELLJFQN-HXUWFJFHSA-N 1 3 381.486 3.744 20 0 GHADHO C[NH+]1CCC(N2CC[C@@H](Nc3nc(C(F)F)nc4ccc(Cl)cc43)C2)CC1 ZINC000665700907 865760090 /nfs/dbraw/zinc/76/00/90/865760090.db2.gz OAYYLLCWKQWZPN-CYBMUJFWSA-N 1 3 395.885 3.801 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(Cl)s3)CC2)CC1 ZINC000552854494 866352914 /nfs/dbraw/zinc/35/29/14/866352914.db2.gz REJNFGCFOOTMEO-UHFFFAOYSA-N 1 3 383.989 3.556 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCSc4ccccc43)CC2)CC1 ZINC000552855451 866353847 /nfs/dbraw/zinc/35/38/47/866353847.db2.gz LYTUJPAFDNHDBV-FQEVSTJZSA-N 1 3 387.593 3.536 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC000534234129 866384097 /nfs/dbraw/zinc/38/40/97/866384097.db2.gz AIACMDLFZCORGU-OAQYLSRUSA-N 1 3 385.939 3.799 20 0 GHADHO CCSc1ccc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000552894205 866448779 /nfs/dbraw/zinc/44/87/79/866448779.db2.gz KKIPWIKFQIPZOC-KRWDZBQOSA-N 1 3 385.577 3.941 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000153685729 867025147 /nfs/dbraw/zinc/02/51/47/867025147.db2.gz BLUHJDVROCDZOP-OFNKIYASSA-N 1 3 379.548 3.523 20 0 GHADHO O=C(CN[C@H](CCc1ccccc1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000553259473 867030160 /nfs/dbraw/zinc/03/01/60/867030160.db2.gz QPSHWTGPBJZYQA-XMMPIXPASA-N 1 3 391.559 3.693 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000154225018 867308636 /nfs/dbraw/zinc/30/86/36/867308636.db2.gz PAODNHOWWQDJPI-HSZRJFAPSA-N 1 3 387.518 3.866 20 0 GHADHO CCCN(C)[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000553657148 867850850 /nfs/dbraw/zinc/85/08/50/867850850.db2.gz AEJWVEVBCLYXLG-HXUWFJFHSA-N 1 3 394.991 3.754 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)CC1 ZINC000523783295 867956356 /nfs/dbraw/zinc/95/63/56/867956356.db2.gz BGWKAYNLFOZBGD-UHFFFAOYSA-N 1 3 398.595 3.688 20 0 GHADHO CCc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156894057 868494850 /nfs/dbraw/zinc/49/48/50/868494850.db2.gz JJPFGFMHUDTVPZ-MBSDFSHPSA-N 1 3 379.548 3.797 20 0 GHADHO CCc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156894057 868494861 /nfs/dbraw/zinc/49/48/61/868494861.db2.gz JJPFGFMHUDTVPZ-MBSDFSHPSA-N 1 3 379.548 3.797 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1cccs1)N1CCOCC1 ZINC000479856850 868607786 /nfs/dbraw/zinc/60/77/86/868607786.db2.gz ZYFZTVHXGJOMQJ-BAGYTPMASA-N 1 3 399.604 3.622 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1cccs1)N1CCOCC1 ZINC000479856850 868607795 /nfs/dbraw/zinc/60/77/95/868607795.db2.gz ZYFZTVHXGJOMQJ-BAGYTPMASA-N 1 3 399.604 3.622 20 0 GHADHO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CCCN(C)C)s2)cc1OC ZINC000479858103 868610605 /nfs/dbraw/zinc/61/06/05/868610605.db2.gz IFSDOBGPHXFNAJ-AWEZNQCLSA-N 1 3 377.554 3.662 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000479877804 868645336 /nfs/dbraw/zinc/64/53/36/868645336.db2.gz XUTIKIIZCXSCDM-SLFFLAALSA-N 1 3 379.614 3.612 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000479877804 868645339 /nfs/dbraw/zinc/64/53/39/868645339.db2.gz XUTIKIIZCXSCDM-SLFFLAALSA-N 1 3 379.614 3.612 20 0 GHADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)N(C)C)c1 ZINC000479864480 868660755 /nfs/dbraw/zinc/66/07/55/868660755.db2.gz ULABXXWRZPTUPK-IEXUWNMDSA-N 1 3 381.564 3.798 20 0 GHADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)c1 ZINC000479864480 868660761 /nfs/dbraw/zinc/66/07/61/868660761.db2.gz ULABXXWRZPTUPK-IEXUWNMDSA-N 1 3 381.564 3.798 20 0 GHADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)c1 ZINC000479864480 868660767 /nfs/dbraw/zinc/66/07/67/868660767.db2.gz ULABXXWRZPTUPK-IEXUWNMDSA-N 1 3 381.564 3.798 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000535397657 868688113 /nfs/dbraw/zinc/68/81/13/868688113.db2.gz HKCZUBYFKDJXBI-GOTSBHOMSA-N 1 3 394.563 3.773 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)N2CCCC2)cc1 ZINC000158120673 868865849 /nfs/dbraw/zinc/86/58/49/868865849.db2.gz XNENWPJHCQRENQ-GOTSBHOMSA-N 1 3 398.595 3.792 20 0 GHADHO CN(Cc1cncn1Cc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000445806327 869008608 /nfs/dbraw/zinc/00/86/08/869008608.db2.gz USNMWTJQEAKMSW-UHFFFAOYSA-N 1 3 375.520 3.675 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC000539441082 869131266 /nfs/dbraw/zinc/13/12/66/869131266.db2.gz WROUABYYNGXRDS-NRFANRHFSA-N 1 3 379.548 3.525 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n(C)c1C ZINC000462791873 870089917 /nfs/dbraw/zinc/08/99/17/870089917.db2.gz SXKJPSOAVDPSOM-QGZVFWFLSA-N 1 3 383.536 3.784 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n(C)c1C ZINC000462791873 870089921 /nfs/dbraw/zinc/08/99/21/870089921.db2.gz SXKJPSOAVDPSOM-QGZVFWFLSA-N 1 3 383.536 3.784 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000462799813 870117205 /nfs/dbraw/zinc/11/72/05/870117205.db2.gz YCBRJLHCPBKTRG-NKKJXINNSA-N 1 3 385.596 3.509 20 0 GHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000248007757 870260360 /nfs/dbraw/zinc/26/03/60/870260360.db2.gz KXURVIULCHTDFN-WMZHIEFXSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000248007757 870260380 /nfs/dbraw/zinc/26/03/80/870260380.db2.gz KXURVIULCHTDFN-WMZHIEFXSA-N 1 3 379.548 3.852 20 0 GHADHO C[C@@H](CC[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000446822962 870466471 /nfs/dbraw/zinc/46/64/71/870466471.db2.gz ZYLJMBLCZKUOQY-FQEVSTJZSA-N 1 3 379.548 3.796 20 0 GHADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000525400406 870616856 /nfs/dbraw/zinc/61/68/56/870616856.db2.gz LZJZEXIMQBJDRM-UHFFFAOYSA-N 1 3 395.366 3.724 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000463007703 870653918 /nfs/dbraw/zinc/65/39/18/870653918.db2.gz GWBLBEHTHQCHFN-WMZHIEFXSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245425 870849478 /nfs/dbraw/zinc/84/94/78/870849478.db2.gz PKBUJNYMZVSJFM-IXDOHACOSA-N 1 3 382.495 3.616 20 0 GHADHO c1ccc(CCN2CCC([NH2+]CC3(N4CCSCC4)CCCC3)CC2)cc1 ZINC000463139417 870990091 /nfs/dbraw/zinc/99/00/91/870990091.db2.gz DBEBXWMDPFIWBG-UHFFFAOYSA-N 1 3 387.637 3.645 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000897351851 871012961 /nfs/dbraw/zinc/01/29/61/871012961.db2.gz BAIGAFKDOFAJQT-JLMWRMLUSA-N 1 3 387.568 3.504 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000897351851 871012971 /nfs/dbraw/zinc/01/29/71/871012971.db2.gz BAIGAFKDOFAJQT-JLMWRMLUSA-N 1 3 387.568 3.504 20 0 GHADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000539063544 871209116 /nfs/dbraw/zinc/20/91/16/871209116.db2.gz KNNHULGLEDUSEI-XUVXKRRUSA-N 1 3 378.944 3.830 20 0 GHADHO CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001193649814 871215535 /nfs/dbraw/zinc/21/55/35/871215535.db2.gz XWAUSPZPQPDBJV-SIKLNZKXSA-N 1 3 386.584 3.716 20 0 GHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091311165 871272523 /nfs/dbraw/zinc/27/25/23/871272523.db2.gz CSMQUXHHQMTVGL-XHSDSOJGSA-N 1 3 378.948 3.767 20 0 GHADHO CCOC(=O)N1CCC[C@@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001169669566 871739319 /nfs/dbraw/zinc/73/93/19/871739319.db2.gz QZXYOCZGJWJMFO-GOSISDBHSA-N 1 3 393.959 3.687 20 0 GHADHO CC(C)[C@H]1C[C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000447537539 871802332 /nfs/dbraw/zinc/80/23/32/871802332.db2.gz WQJQUENWNNBBBP-PKTZIBPZSA-N 1 3 379.548 3.952 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc2C1 ZINC001168351440 882590653 /nfs/dbraw/zinc/59/06/53/882590653.db2.gz SMIRPQPFAGKXJD-UHFFFAOYSA-N 1 3 399.579 3.944 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3c4ccccc4C(C)(C)[C@@H]3C)CC2)CC1 ZINC000619019498 872255493 /nfs/dbraw/zinc/25/54/93/872255493.db2.gz POFKPDVWCJWSTM-SFHVURJKSA-N 1 3 383.580 3.896 20 0 GHADHO c1ccc(CN2C[C@@H](C[NH2+]CC3Cc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000552363414 872522597 /nfs/dbraw/zinc/52/25/97/872522597.db2.gz QIFXHIQQNFLVSZ-RUZDIDTESA-N 1 3 390.571 3.920 20 0 GHADHO C[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000527487616 873205147 /nfs/dbraw/zinc/20/51/47/873205147.db2.gz VADAABCLLBVAQW-IEIRFRATSA-N 1 3 383.580 3.810 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(C(F)F)cc3)c2)C1 ZINC000527518334 873238337 /nfs/dbraw/zinc/23/83/37/873238337.db2.gz JYDSCQCGAGKVAD-HXUWFJFHSA-N 1 3 387.474 3.611 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(C(F)F)cc3)c2)C1 ZINC000527518334 873238349 /nfs/dbraw/zinc/23/83/49/873238349.db2.gz JYDSCQCGAGKVAD-HXUWFJFHSA-N 1 3 387.474 3.611 20 0 GHADHO Cn1cc(-c2nc(CNCC3CC[NH+](Cc4ccccc4)CC3)cs2)cn1 ZINC000527646501 873398273 /nfs/dbraw/zinc/39/82/73/873398273.db2.gz TXRATEYPQBOCDZ-UHFFFAOYSA-N 1 3 381.549 3.545 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)N(C)C)cc1 ZINC000448468850 873426773 /nfs/dbraw/zinc/42/67/73/873426773.db2.gz WPEOXLUIMVXDRF-WWNPGLIZSA-N 1 3 398.595 3.510 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)N(C)C)cc1 ZINC000448468850 873426787 /nfs/dbraw/zinc/42/67/87/873426787.db2.gz WPEOXLUIMVXDRF-WWNPGLIZSA-N 1 3 398.595 3.510 20 0 GHADHO C[C@H](NC[C@H](O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603571 873966976 /nfs/dbraw/zinc/96/69/76/873966976.db2.gz QRMLODSBBYHHEQ-JQVVWYNYSA-N 1 3 388.596 3.966 20 0 GHADHO C[C@H](NC[C@H](O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603571 873966983 /nfs/dbraw/zinc/96/69/83/873966983.db2.gz QRMLODSBBYHHEQ-JQVVWYNYSA-N 1 3 388.596 3.966 20 0 GHADHO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000744414023 874017464 /nfs/dbraw/zinc/01/74/64/874017464.db2.gz CQMWCJVNGOOENM-UGKGYDQZSA-N 1 3 386.584 3.668 20 0 GHADHO CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000744414023 874017480 /nfs/dbraw/zinc/01/74/80/874017480.db2.gz CQMWCJVNGOOENM-UGKGYDQZSA-N 1 3 386.584 3.668 20 0 GHADHO CCOc1cc2[nH+]ccc(N3CCC(C)(N4CCOCC4)CC3)c2cc1OCC ZINC000528188435 874182141 /nfs/dbraw/zinc/18/21/41/874182141.db2.gz BTUOTACLXRQMGO-UHFFFAOYSA-N 1 3 399.535 3.723 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000541820907 874336141 /nfs/dbraw/zinc/33/61/41/874336141.db2.gz KUMGRVVQTIMWDX-DENIHFKCSA-N 1 3 386.584 3.504 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449158195 874545414 /nfs/dbraw/zinc/54/54/14/874545414.db2.gz XYNIYNFBKDAVIW-FQEVSTJZSA-N 1 3 387.612 3.561 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2csc(N3CCCC3)n2)CC1 ZINC000449163617 874560508 /nfs/dbraw/zinc/56/05/08/874560508.db2.gz MYRIZOIKBCOIQI-IBGZPJMESA-N 1 3 398.620 3.971 20 0 GHADHO CN1CCC[C@H]1CC[NH+]1CCC(OCc2ccc(Br)cc2)CC1 ZINC001198778535 874627152 /nfs/dbraw/zinc/62/71/52/874627152.db2.gz GNKTYBVMCHSHCQ-SFHVURJKSA-N 1 3 381.358 3.914 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000449282501 874667095 /nfs/dbraw/zinc/66/70/95/874667095.db2.gz HDIKXPBZJWREHX-NGXZDTIWSA-N 1 3 396.550 3.977 20 0 GHADHO CNC(=O)C[C@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449299742 874687080 /nfs/dbraw/zinc/68/70/80/874687080.db2.gz MVDOJBRILGKEAR-CVDCTZTESA-N 1 3 379.548 3.549 20 0 GHADHO Cc1ccc(C[C@H](CO)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1Br ZINC000449601218 875125517 /nfs/dbraw/zinc/12/55/17/875125517.db2.gz RBBGHAAEAAZCNV-KRWDZBQOSA-N 1 3 397.401 3.761 20 0 GHADHO Cc1ccc(C[C@H](CO)CNC2CC[NH+](C(C)(C)C)CC2)cc1Br ZINC000449601218 875125519 /nfs/dbraw/zinc/12/55/19/875125519.db2.gz RBBGHAAEAAZCNV-KRWDZBQOSA-N 1 3 397.401 3.761 20 0 GHADHO CC(C)(C)O[C@@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1n1cccn1 ZINC000449657072 875190957 /nfs/dbraw/zinc/19/09/57/875190957.db2.gz NNNNODCJAJPVSK-YTFSRNRJSA-N 1 3 396.579 3.677 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)(N2CCCCC2)CC1 ZINC000172750100 875898854 /nfs/dbraw/zinc/89/88/54/875898854.db2.gz BKYGPFKLMSMWNM-RTBURBONSA-N 1 3 389.971 3.510 20 0 GHADHO Cc1cccc(Cl)c1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000450622264 876668831 /nfs/dbraw/zinc/66/88/31/876668831.db2.gz YMIWCFGCIGYQII-UHFFFAOYSA-N 1 3 391.987 3.853 20 0 GHADHO Cn1c2ccc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CC34CCC4)cc2oc1=O ZINC000850402573 876883232 /nfs/dbraw/zinc/88/32/32/876883232.db2.gz OBBJRCXJUYINDP-FQEVSTJZSA-N 1 3 391.515 3.523 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(N3CCCNC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850414490 876895123 /nfs/dbraw/zinc/89/51/23/876895123.db2.gz PCWDXUVASZSAPI-SIKLNZKXSA-N 1 3 392.547 3.749 20 0 GHADHO C[C@H]1C[C@H](NCc2ccc(N3CCCNC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850414490 876895127 /nfs/dbraw/zinc/89/51/27/876895127.db2.gz PCWDXUVASZSAPI-SIKLNZKXSA-N 1 3 392.547 3.749 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836911 876956497 /nfs/dbraw/zinc/95/64/97/876956497.db2.gz QENPMKJOXDCVDA-DXIQSLLYSA-N 1 3 392.547 3.920 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836911 876956504 /nfs/dbraw/zinc/95/65/04/876956504.db2.gz QENPMKJOXDCVDA-DXIQSLLYSA-N 1 3 392.547 3.920 20 0 GHADHO C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000174782184 877244343 /nfs/dbraw/zinc/24/43/43/877244343.db2.gz LJIVSTODZDOIDQ-HXUWFJFHSA-N 1 3 394.563 3.554 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccsc1 ZINC000175602637 877789976 /nfs/dbraw/zinc/78/99/76/877789976.db2.gz MFNWBNFZNRBWHW-HXUWFJFHSA-N 1 3 392.613 3.837 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000615676449 877971673 /nfs/dbraw/zinc/97/16/73/877971673.db2.gz UPQLLQAGHBMWHW-LJQANCHMSA-N 1 3 392.563 3.554 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000615676449 877971684 /nfs/dbraw/zinc/97/16/84/877971684.db2.gz UPQLLQAGHBMWHW-LJQANCHMSA-N 1 3 392.563 3.554 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C[C@H](C)O1 ZINC000788645268 878204636 /nfs/dbraw/zinc/20/46/36/878204636.db2.gz OJQGBYXXLUWPQA-YSTOQKLRSA-N 1 3 397.604 3.501 20 0 GHADHO COc1ccc(COCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000245661994 878315195 /nfs/dbraw/zinc/31/51/95/878315195.db2.gz FVHYHFGUMSTOMP-NUNAXRQHSA-N 1 3 380.532 3.997 20 0 GHADHO COc1ccc(COCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245661994 878315213 /nfs/dbraw/zinc/31/52/13/878315213.db2.gz FVHYHFGUMSTOMP-NUNAXRQHSA-N 1 3 380.532 3.997 20 0 GHADHO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1OC ZINC000245736519 878501891 /nfs/dbraw/zinc/50/18/91/878501891.db2.gz QXYRPEPSESSFSE-MZADTFQBSA-N 1 3 394.515 3.767 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000537943529 878559598 /nfs/dbraw/zinc/55/95/98/878559598.db2.gz QOFAETZXIMYCKE-FIKGOQFSSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000537943529 878559607 /nfs/dbraw/zinc/55/96/07/878559607.db2.gz QOFAETZXIMYCKE-FIKGOQFSSA-N 1 3 397.966 3.784 20 0 GHADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)C[C@H]3NCc4ccccc43)cc2)CC1 ZINC000852808199 878615040 /nfs/dbraw/zinc/61/50/40/878615040.db2.gz NEKDHNIOTLYONF-HSZRJFAPSA-N 1 3 392.547 3.638 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)N(C)C)cc1 ZINC000177481060 878722829 /nfs/dbraw/zinc/72/28/29/878722829.db2.gz ROEBSYSSILGPQL-JOCHJYFZSA-N 1 3 386.584 3.694 20 0 GHADHO CC[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N(CC)CC ZINC000531295380 879532304 /nfs/dbraw/zinc/53/23/04/879532304.db2.gz ZBJJJPZAIGDGGR-HXUWFJFHSA-N 1 3 388.556 3.560 20 0 GHADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)ccc1SC ZINC000246522269 879650725 /nfs/dbraw/zinc/65/07/25/879650725.db2.gz USDPIIVTGVKICV-KFKAGJAMSA-N 1 3 378.582 3.836 20 0 GHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000246584711 879701481 /nfs/dbraw/zinc/70/14/81/879701481.db2.gz NTHBXAREDQFXJA-OXQOHEQNSA-N 1 3 385.939 3.888 20 0 GHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000246584711 879701499 /nfs/dbraw/zinc/70/14/99/879701499.db2.gz NTHBXAREDQFXJA-OXQOHEQNSA-N 1 3 385.939 3.888 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](Nc2cccc(CN3CCSCC3)c2)[C@@H](C)C1 ZINC000538588043 879799200 /nfs/dbraw/zinc/79/92/00/879799200.db2.gz LMNXWLAEXRQNTK-SIKLNZKXSA-N 1 3 391.625 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](Nc2cccc(CN3CCSCC3)c2)[C@@H](C)C1 ZINC000538588043 879799209 /nfs/dbraw/zinc/79/92/09/879799209.db2.gz LMNXWLAEXRQNTK-SIKLNZKXSA-N 1 3 391.625 3.784 20 0 GHADHO Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)c2)cc1 ZINC000247207928 879942799 /nfs/dbraw/zinc/94/27/99/879942799.db2.gz WTTIHJHVHRSXBA-SELNLUPBSA-N 1 3 379.548 3.743 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182729021 880018927 /nfs/dbraw/zinc/01/89/27/880018927.db2.gz VSPDXQWMNLIPPO-NPDDRXJXSA-N 1 3 398.595 3.602 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182729021 880018938 /nfs/dbraw/zinc/01/89/38/880018938.db2.gz VSPDXQWMNLIPPO-NPDDRXJXSA-N 1 3 398.595 3.602 20 0 GHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453348716 880820837 /nfs/dbraw/zinc/82/08/37/880820837.db2.gz LGDIMJPDLGCCRZ-BPIHKTFHSA-N 1 3 376.566 3.679 20 0 GHADHO COc1ccc(OCc2nc(CNC3CCC(C[NH+](C)C)CC3)cs2)cc1 ZINC000119878351 881198708 /nfs/dbraw/zinc/19/87/08/881198708.db2.gz DVGGLGTVMMIHPZ-UHFFFAOYSA-N 1 3 389.565 3.941 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc3oc(=O)n(C)c3c2)ccc1OC ZINC000858538241 883183272 /nfs/dbraw/zinc/18/32/72/883183272.db2.gz LDDOBKFEXZDZAY-INIZCTEOSA-N 1 3 397.519 3.833 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccsc1 ZINC000193434731 883272297 /nfs/dbraw/zinc/27/22/97/883272297.db2.gz LWRBUAIVAIVKKT-FQEVSTJZSA-N 1 3 392.613 3.648 20 0 GHADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000477107093 883724811 /nfs/dbraw/zinc/72/48/11/883724811.db2.gz BXKDPKBZQGBXJN-UYAOXDASSA-N 1 3 397.567 3.744 20 0 GHADHO Cc1c(F)cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc1F ZINC001211911605 883827341 /nfs/dbraw/zinc/82/73/41/883827341.db2.gz RPSLPJNKIBBNDT-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Cc1c(F)cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc1F ZINC001211911605 883827355 /nfs/dbraw/zinc/82/73/55/883827355.db2.gz RPSLPJNKIBBNDT-KRWDZBQOSA-N 1 3 396.441 3.512 20 0 GHADHO Fc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)ccc1Cl ZINC001211911943 883987672 /nfs/dbraw/zinc/98/76/72/883987672.db2.gz VQVXTXUFQMHBRF-MRXNPFEDSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)ccc1Cl ZINC001211911943 883987682 /nfs/dbraw/zinc/98/76/82/883987682.db2.gz VQVXTXUFQMHBRF-MRXNPFEDSA-N 1 3 398.869 3.718 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001130757379 885042558 /nfs/dbraw/zinc/04/25/58/885042558.db2.gz CPSARZIFHXEOLP-WFEDQXDTSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001130757379 885042569 /nfs/dbraw/zinc/04/25/69/885042569.db2.gz CPSARZIFHXEOLP-WFEDQXDTSA-N 1 3 396.453 3.877 20 0 GHADHO C[C@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000806932315 885098034 /nfs/dbraw/zinc/09/80/34/885098034.db2.gz XMWSBOPMCCACNJ-FTWXPCQCSA-N 1 3 386.584 3.774 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000763433413 885101166 /nfs/dbraw/zinc/10/11/66/885101166.db2.gz RHSIVWINFWDUSS-AVRDEDQJSA-N 1 3 390.568 3.714 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000763433413 885101176 /nfs/dbraw/zinc/10/11/76/885101176.db2.gz RHSIVWINFWDUSS-AVRDEDQJSA-N 1 3 390.568 3.714 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000795863069 912900336 /nfs/dbraw/zinc/90/03/36/912900336.db2.gz ACPSRMGFRLCZHE-OAQYLSRUSA-N 1 3 391.987 3.887 20 0 GHADHO Cc1ccc2c(c1)ncnc2-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170524918 885458688 /nfs/dbraw/zinc/45/86/88/885458688.db2.gz OSSKYUKRWRDIJM-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO CC(C)Oc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cn1 ZINC001170528166 885540830 /nfs/dbraw/zinc/54/08/30/885540830.db2.gz JDOVUHRDYVYCJB-UHFFFAOYSA-N 1 3 378.520 3.778 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000125178260 886835129 /nfs/dbraw/zinc/83/51/29/886835129.db2.gz HAEHQKXRCTWRHO-ZWKOTPCHSA-N 1 3 376.508 3.539 20 0 GHADHO CC(C)[C@@](C)(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000865064759 888167136 /nfs/dbraw/zinc/16/71/36/888167136.db2.gz ZSKMZVFZFHFCST-XMMPIXPASA-N 1 3 385.596 3.566 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810179233 888262768 /nfs/dbraw/zinc/26/27/68/888262768.db2.gz KQQALVRZHCLEIF-IBGZPJMESA-N 1 3 395.547 3.995 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1CN1CCCCC1 ZINC000794833026 888282871 /nfs/dbraw/zinc/28/28/71/888282871.db2.gz JSSPGAVXEADMGM-UYAOXDASSA-N 1 3 387.568 3.590 20 0 GHADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)cc1CN1CCCCC1 ZINC000810242059 888340215 /nfs/dbraw/zinc/34/02/15/888340215.db2.gz JROMIQOCTFYXAF-SFHVURJKSA-N 1 3 395.547 3.560 20 0 GHADHO CC[NH+]1CCC(CNCc2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 ZINC000729682337 888475446 /nfs/dbraw/zinc/47/54/46/888475446.db2.gz QDJWMKHGVIDVEW-UHFFFAOYSA-N 1 3 378.923 3.854 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CC2)CC1 ZINC000195204843 888654726 /nfs/dbraw/zinc/65/47/26/888654726.db2.gz RBPWSYPZTMPWFO-SYQRVOMBSA-N 1 3 387.612 3.658 20 0 GHADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000287385504 913304254 /nfs/dbraw/zinc/30/42/54/913304254.db2.gz ILUUMLWLJOSICI-JLLPCOHGSA-N 1 3 383.580 3.525 20 0 GHADHO Fc1cccnc1N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245735049 889562338 /nfs/dbraw/zinc/56/23/38/889562338.db2.gz QSCYNZHRTUJXHF-NCYKPQTJSA-N 1 3 380.511 3.585 20 0 GHADHO Fc1cccnc1N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245735049 889562348 /nfs/dbraw/zinc/56/23/48/889562348.db2.gz QSCYNZHRTUJXHF-NCYKPQTJSA-N 1 3 380.511 3.585 20 0 GHADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1cccc(OCc2ccccc2)c1 ZINC000123638049 890825449 /nfs/dbraw/zinc/82/54/49/890825449.db2.gz CLIQDFGBSGAEDC-XMMPIXPASA-N 1 3 380.532 3.763 20 0 GHADHO C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000287717461 913504132 /nfs/dbraw/zinc/50/41/32/913504132.db2.gz YKHCNYAFNXEVGS-CVDCTZTESA-N 1 3 398.595 3.728 20 0 GHADHO COc1cc(CNCc2cc3c(s2)CC[NH2+]C3)ccc1OCC(F)(F)F ZINC000873213332 891526830 /nfs/dbraw/zinc/52/68/30/891526830.db2.gz VQJVADYXNTUHMV-UHFFFAOYSA-N 1 3 386.439 3.633 20 0 GHADHO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc(CN)nn3)c1)CCCO2 ZINC000873244582 891545615 /nfs/dbraw/zinc/54/56/15/891545615.db2.gz SEMVFIGDJVSWGV-FQEVSTJZSA-N 1 3 397.910 3.691 20 0 GHADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCSc4c(Cl)cccc43)c2)nn1 ZINC000873248112 891549419 /nfs/dbraw/zinc/54/94/19/891549419.db2.gz ZUIHTKABKJNBBT-SFHVURJKSA-N 1 3 385.924 3.706 20 0 GHADHO COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCN(Cc4cccnc4)C3)CC1)C2 ZINC001168275119 892433209 /nfs/dbraw/zinc/43/32/09/892433209.db2.gz WVPMNCBEWUXSSI-QFIPXVFZSA-N 1 3 377.532 3.546 20 0 GHADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936164 892776668 /nfs/dbraw/zinc/77/66/68/892776668.db2.gz RFPHSRGPWFBWSB-CGTJXYLNSA-N 1 3 399.501 3.532 20 0 GHADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936164 892776673 /nfs/dbraw/zinc/77/66/73/892776673.db2.gz RFPHSRGPWFBWSB-CGTJXYLNSA-N 1 3 399.501 3.532 20 0 GHADHO C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508715732 892865771 /nfs/dbraw/zinc/86/57/71/892865771.db2.gz XMECKOVPUAWEAE-SJLPKXTDSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1cccc(C(F)(F)F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715732 892865789 /nfs/dbraw/zinc/86/57/89/892865789.db2.gz XMECKOVPUAWEAE-SJLPKXTDSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H](NCCOc1cccc(C(F)(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715732 892865807 /nfs/dbraw/zinc/86/58/07/892865807.db2.gz XMECKOVPUAWEAE-SJLPKXTDSA-N 1 3 393.453 3.979 20 0 GHADHO CCOc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc(Cl)c1[O-] ZINC000459473344 893613842 /nfs/dbraw/zinc/61/38/42/893613842.db2.gz WPKFVMRKERIYJF-UHFFFAOYSA-N 1 3 375.900 3.846 20 0 GHADHO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746322 893786156 /nfs/dbraw/zinc/78/61/56/893786156.db2.gz MOJVGINAEFZCPJ-UHFFFAOYSA-N 1 3 393.575 3.882 20 0 GHADHO COc1ccccc1-c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000877747604 893788270 /nfs/dbraw/zinc/78/82/70/893788270.db2.gz TZSSVPPNGNQQDZ-UHFFFAOYSA-N 1 3 379.548 3.574 20 0 GHADHO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000536858345 893950028 /nfs/dbraw/zinc/95/00/28/893950028.db2.gz MZNFTIJEYJKUAY-HXUWFJFHSA-N 1 3 379.548 3.541 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@H]4CCC5(CCOCC5)O4)CC[C@H]32)cc1 ZINC000878196628 894083882 /nfs/dbraw/zinc/08/38/82/894083882.db2.gz HHPFNJDDUZGJSZ-DNVJHFABSA-N 1 3 384.564 3.701 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@H]4CCC5(CCOCC5)O4)CC[C@H]32)cc1 ZINC000878196628 894083899 /nfs/dbraw/zinc/08/38/99/894083899.db2.gz HHPFNJDDUZGJSZ-DNVJHFABSA-N 1 3 384.564 3.701 20 0 GHADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1cccc2ccccc21 ZINC000563744110 894135464 /nfs/dbraw/zinc/13/54/64/894135464.db2.gz FMCFAQRRAKWPCT-HSZRJFAPSA-N 1 3 390.527 3.965 20 0 GHADHO C[N@@H+]1CCC[C@H](CCNCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000459744001 894166818 /nfs/dbraw/zinc/16/68/18/894166818.db2.gz XKUGFDXEQWOIRA-CQSZACIVSA-N 1 3 377.330 3.661 20 0 GHADHO C[N@H+]1CCC[C@H](CCNCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000459744001 894166828 /nfs/dbraw/zinc/16/68/28/894166828.db2.gz XKUGFDXEQWOIRA-CQSZACIVSA-N 1 3 377.330 3.661 20 0 GHADHO CCC1(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000537093611 894330788 /nfs/dbraw/zinc/33/07/88/894330788.db2.gz VCGUIIRSJBEXRY-RTWAWAEBSA-N 1 3 392.609 3.624 20 0 GHADHO C[N@@H+]1CC[C@@H](NCc2ccc(Cn3ccccc3=O)cc2)C[C@H]1c1ccccc1 ZINC000645395107 913874400 /nfs/dbraw/zinc/87/44/00/913874400.db2.gz CRHCMKRJEIMBBO-RPWUZVMVSA-N 1 3 387.527 3.822 20 0 GHADHO C[N@H+]1CC[C@@H](NCc2ccc(Cn3ccccc3=O)cc2)C[C@H]1c1ccccc1 ZINC000645395107 913874413 /nfs/dbraw/zinc/87/44/13/913874413.db2.gz CRHCMKRJEIMBBO-RPWUZVMVSA-N 1 3 387.527 3.822 20 0 GHADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000455847660 894593299 /nfs/dbraw/zinc/59/32/99/894593299.db2.gz JAFOEMPZZOHVOC-FCHUYYIVSA-N 1 3 396.535 3.669 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000288893016 913926370 /nfs/dbraw/zinc/92/63/70/913926370.db2.gz AZAGNBADZGFJIU-QFIPXVFZSA-N 1 3 390.531 3.627 20 0 GHADHO C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000645493392 913933223 /nfs/dbraw/zinc/93/32/23/913933223.db2.gz ZLKVNDJBJQZFMZ-OFNKIYASSA-N 1 3 386.580 3.710 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000564619169 895127612 /nfs/dbraw/zinc/12/76/12/895127612.db2.gz PXPDFTXTLPXLDT-PKTZIBPZSA-N 1 3 383.580 3.752 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675678 895174172 /nfs/dbraw/zinc/17/41/72/895174172.db2.gz CKAJTIXOYUVFDH-PXNSSMCTSA-N 1 3 394.991 3.752 20 0 GHADHO CCCN(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675678 895174179 /nfs/dbraw/zinc/17/41/79/895174179.db2.gz CKAJTIXOYUVFDH-PXNSSMCTSA-N 1 3 394.991 3.752 20 0 GHADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000564915226 895309067 /nfs/dbraw/zinc/30/90/67/895309067.db2.gz GPBBLZVXYQICIM-RUZDIDTESA-N 1 3 399.538 3.918 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccc(C)s3)C(C)C)CC2)CC1 ZINC000565181534 895445372 /nfs/dbraw/zinc/44/53/72/895445372.db2.gz OUWNPHMCEWWVPJ-UHFFFAOYSA-N 1 3 391.625 3.990 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](c4ccccc4C)C[C@@H]3C)CC2)CC1 ZINC000565187789 895448462 /nfs/dbraw/zinc/44/84/62/895448462.db2.gz ISSRKKLQUFYPNB-UNMCSNQZSA-N 1 3 397.607 3.896 20 0 GHADHO CCc1ccc([C@H]2CCN(C(=O)C3CCN(C4CC[NH+](CC)CC4)CC3)C2)cc1 ZINC000565202336 895458117 /nfs/dbraw/zinc/45/81/17/895458117.db2.gz AFCDLOHZPWJFNS-QHCPKHFHSA-N 1 3 397.607 3.761 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)CC1 ZINC000880276270 895608646 /nfs/dbraw/zinc/60/86/46/895608646.db2.gz FROMFEXXRPTSPY-JOCHJYFZSA-N 1 3 395.595 3.672 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)CC1 ZINC000880276270 895608654 /nfs/dbraw/zinc/60/86/54/895608654.db2.gz FROMFEXXRPTSPY-JOCHJYFZSA-N 1 3 395.595 3.672 20 0 GHADHO O[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1C(F)(F)F ZINC000817890621 895930957 /nfs/dbraw/zinc/93/09/57/895930957.db2.gz VLRUEOYATNRDRB-NSHGMRRFSA-N 1 3 392.421 3.584 20 0 GHADHO [NH3+]CCC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000566210944 896173411 /nfs/dbraw/zinc/17/34/11/896173411.db2.gz AJOBVRMNUFMLDA-IFMALSPDSA-N 1 3 383.511 3.634 20 0 GHADHO CCc1ccc(C(C)(C)CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000566443287 896316257 /nfs/dbraw/zinc/31/62/57/896316257.db2.gz ZQVBIFRSQGFBRK-UHFFFAOYSA-N 1 3 399.623 3.839 20 0 GHADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000819015199 896349292 /nfs/dbraw/zinc/34/92/92/896349292.db2.gz FGLHWHFTKDESOO-WIYYLYMNSA-N 1 3 392.465 3.893 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)CC1 ZINC000108790961 898402254 /nfs/dbraw/zinc/40/22/54/898402254.db2.gz FAIPKDXCEKQCCH-DNQXCXABSA-N 1 3 391.559 3.618 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000774965101 914267584 /nfs/dbraw/zinc/26/75/84/914267584.db2.gz WYOWIRLDOHWEIY-DEOSSOPVSA-N 1 3 377.532 3.791 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCC1CCOCC1)CC2 ZINC001202637974 898767198 /nfs/dbraw/zinc/76/71/98/898767198.db2.gz RTXUJCLWGDJTFJ-LJQANCHMSA-N 1 3 378.582 3.620 20 0 GHADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000112915763 898943693 /nfs/dbraw/zinc/94/36/93/898943693.db2.gz GXPQEIAYPSFKNH-UHFFFAOYSA-N 1 3 381.520 3.612 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000823609569 899131305 /nfs/dbraw/zinc/13/13/05/899131305.db2.gz ZQRMHOWNWQRRGX-FQEVSTJZSA-N 1 3 391.559 3.999 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(C3OCCO3)cc2)CC1 ZINC000823851758 899280333 /nfs/dbraw/zinc/28/03/33/899280333.db2.gz ZNYQQVIAZGSCPS-IBGZPJMESA-N 1 3 380.532 3.917 20 0 GHADHO CC[NH+]1CCC(n2nccc2NC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000571144213 899757886 /nfs/dbraw/zinc/75/78/86/899757886.db2.gz QDENUQLQTXVVPZ-UHFFFAOYSA-N 1 3 395.551 3.778 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844306848 900695706 /nfs/dbraw/zinc/69/57/06/900695706.db2.gz CPSARZIFHXEOLP-XPYUAMARSA-N 1 3 396.453 3.877 20 0 GHADHO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844306848 900695716 /nfs/dbraw/zinc/69/57/16/900695716.db2.gz CPSARZIFHXEOLP-XPYUAMARSA-N 1 3 396.453 3.877 20 0 GHADHO CCOc1ccccc1NC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000574416506 900882234 /nfs/dbraw/zinc/88/22/34/900882234.db2.gz YVFRHTQYSKFRME-QFIPXVFZSA-N 1 3 395.547 3.914 20 0 GHADHO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c1 ZINC000886532225 901135698 /nfs/dbraw/zinc/13/56/98/901135698.db2.gz GFTUJZRKODPPNN-XWGVYQGASA-N 1 3 391.559 3.574 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)c3ccc(Cl)cc3)CC2)CC1 ZINC000576119684 901694498 /nfs/dbraw/zinc/69/44/98/901694498.db2.gz OOENLUVCOAGQRN-UHFFFAOYSA-N 1 3 391.987 3.888 20 0 GHADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc(CN)ccc3NC(=O)C(C)(C)C)c2c1 ZINC001171163356 901802022 /nfs/dbraw/zinc/80/20/22/901802022.db2.gz AVDABACIRZUTAT-OAHLLOKOSA-N 1 3 393.535 3.667 20 0 GHADHO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000775023494 914583534 /nfs/dbraw/zinc/58/35/34/914583534.db2.gz LGQCXFZPTGEONI-UHFFFAOYSA-N 1 3 376.907 3.937 20 0 GHADHO Cc1cc(Br)cc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000775031824 914634294 /nfs/dbraw/zinc/63/42/94/914634294.db2.gz UDBVERARLOLTHL-RTBURBONSA-N 1 3 381.358 3.615 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000578034237 903460924 /nfs/dbraw/zinc/46/09/24/903460924.db2.gz XGZKTJLZWONACY-OYTPZHDJSA-N 1 3 397.607 3.914 20 0 GHADHO CCOC[C@@H]1CCCN(Cc2cncc(C[N@@H+]3CCC[C@@H](COCC)C3)c2)C1 ZINC000579435948 904601007 /nfs/dbraw/zinc/60/10/07/904601007.db2.gz XCDADQZRJMHACS-NHCUHLMSSA-N 1 3 389.584 3.579 20 0 GHADHO CCOC[C@@H]1CCCN(Cc2cncc(C[N@H+]3CCC[C@@H](COCC)C3)c2)C1 ZINC000579435948 904601015 /nfs/dbraw/zinc/60/10/15/904601015.db2.gz XCDADQZRJMHACS-NHCUHLMSSA-N 1 3 389.584 3.579 20 0 GHADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000579574321 904714712 /nfs/dbraw/zinc/71/47/12/904714712.db2.gz TWQHBVZEYDVHFW-ICSRJNTNSA-N 1 3 375.900 3.713 20 0 GHADHO CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCO1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171640314 904929642 /nfs/dbraw/zinc/92/96/42/904929642.db2.gz BVLMKHXDLGPBER-JOCHJYFZSA-N 1 3 387.612 3.861 20 0 GHADHO CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171640314 904929652 /nfs/dbraw/zinc/92/96/52/904929652.db2.gz BVLMKHXDLGPBER-JOCHJYFZSA-N 1 3 387.612 3.861 20 0 GHADHO CC(C)(C)OC(=O)C1CCC([NH2+]CC2CCN(Cc3cccnc3)CC2)CC1 ZINC001171916943 905146564 /nfs/dbraw/zinc/14/65/64/905146564.db2.gz GZPGEPWUVNUERA-UHFFFAOYSA-N 1 3 387.568 3.784 20 0 GHADHO COc1cccc(C[C@H](CO)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172072819 905275776 /nfs/dbraw/zinc/27/57/76/905275776.db2.gz NGTZKQXHFZISEY-JLLPCOHGSA-N 1 3 394.559 3.774 20 0 GHADHO COc1cccc(C[C@H](CO)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172072819 905275793 /nfs/dbraw/zinc/27/57/93/905275793.db2.gz NGTZKQXHFZISEY-JLLPCOHGSA-N 1 3 394.559 3.774 20 0 GHADHO O=C(C1CCC1)N1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067752 905334284 /nfs/dbraw/zinc/33/42/84/905334284.db2.gz SDMUGJARJFYXPI-CWBXHPNXSA-N 1 3 381.564 3.563 20 0 GHADHO O=C(C1CCC1)N1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067752 905334299 /nfs/dbraw/zinc/33/42/99/905334299.db2.gz SDMUGJARJFYXPI-CWBXHPNXSA-N 1 3 381.564 3.563 20 0 GHADHO Cc1nc(CN2CCCC23CCN([C@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CC3)cs1 ZINC001172119490 905373761 /nfs/dbraw/zinc/37/37/61/905373761.db2.gz VSNTWXLYTDJNOS-AERCQKQUSA-N 1 3 388.625 3.897 20 0 GHADHO Cc1nc(CN2CCCC23CCN([C@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)cs1 ZINC001172119490 905373783 /nfs/dbraw/zinc/37/37/83/905373783.db2.gz VSNTWXLYTDJNOS-AERCQKQUSA-N 1 3 388.625 3.897 20 0 GHADHO CC(C)COCC[C@@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172469081 905550703 /nfs/dbraw/zinc/55/07/03/905550703.db2.gz ZNSUPTWOEKDEBB-AGILITTLSA-N 1 3 392.628 3.898 20 0 GHADHO CC(C)COCC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172469081 905550716 /nfs/dbraw/zinc/55/07/16/905550716.db2.gz ZNSUPTWOEKDEBB-AGILITTLSA-N 1 3 392.628 3.898 20 0 GHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172524481 905585209 /nfs/dbraw/zinc/58/52/09/905585209.db2.gz YBRDKGANHHDSHQ-XZCBWCRCSA-N 1 3 383.580 3.780 20 0 GHADHO O=c1ccc2c(n1CCN1CCCC1)CC[C@H]([NH2+]C1CCC3(CCCC3)CC1)C2 ZINC001172724338 905773894 /nfs/dbraw/zinc/77/38/94/905773894.db2.gz GDSTVLTXKMDHDU-QFIPXVFZSA-N 1 3 397.607 3.894 20 0 GHADHO Cc1ncc(CNCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000628201912 906013506 /nfs/dbraw/zinc/01/35/06/906013506.db2.gz AHFGQGZBCLFAGH-UHFFFAOYSA-N 1 3 396.457 3.694 20 0 GHADHO Cc1ncc(C[NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000628201912 906013532 /nfs/dbraw/zinc/01/35/32/906013532.db2.gz AHFGQGZBCLFAGH-UHFFFAOYSA-N 1 3 396.457 3.694 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC(N2CCC[C@H]2C[NH3+])CC1 ZINC001173558576 906532062 /nfs/dbraw/zinc/53/20/62/906532062.db2.gz UWEOTSDHLQAJTD-XBMUEBEBSA-N 1 3 397.357 3.631 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001173734258 906675473 /nfs/dbraw/zinc/67/54/73/906675473.db2.gz HYQRYUDNYRCOFV-WUMKDDEVSA-N 1 3 392.543 3.858 20 0 GHADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001173734258 906675480 /nfs/dbraw/zinc/67/54/80/906675480.db2.gz HYQRYUDNYRCOFV-WUMKDDEVSA-N 1 3 392.543 3.858 20 0 GHADHO CN(CC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000629995608 907091510 /nfs/dbraw/zinc/09/15/10/907091510.db2.gz CPNFJHUIFBMKPL-QHCPKHFHSA-N 1 3 383.580 3.620 20 0 GHADHO CN(C)C[C@@H](NC(=O)Nc1cccc(C[NH3+])c1)c1cccc(C(F)(F)F)c1 ZINC000632948058 908163459 /nfs/dbraw/zinc/16/34/59/908163459.db2.gz DZMWOJOPOWMCIU-QGZVFWFLSA-N 1 3 380.414 3.589 20 0 GHADHO COCCN(C)CCOc1cccc(C[NH2+]C2CCc3ccccc3CC2)c1 ZINC001177631441 908682414 /nfs/dbraw/zinc/68/24/14/908682414.db2.gz KMOMULLFKUMCOF-UHFFFAOYSA-N 1 3 382.548 3.681 20 0 GHADHO COC(=O)COc1ccccc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001180225186 910024627 /nfs/dbraw/zinc/02/46/27/910024627.db2.gz PGKKIZYNOZPHIG-IBGZPJMESA-N 1 3 388.552 3.715 20 0 GHADHO COC(=O)COc1ccccc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001180225186 910024645 /nfs/dbraw/zinc/02/46/45/910024645.db2.gz PGKKIZYNOZPHIG-IBGZPJMESA-N 1 3 388.552 3.715 20 0 GHADHO CN(C)Cc1ccc(C(N)=O)cc1N[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638257932 910099366 /nfs/dbraw/zinc/09/93/66/910099366.db2.gz DCDCNQDNPXZKHK-OFNKIYASSA-N 1 3 392.547 3.627 20 0 GHADHO CN(C)Cc1ccc(C(N)=O)cc1N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638257932 910099380 /nfs/dbraw/zinc/09/93/80/910099380.db2.gz DCDCNQDNPXZKHK-OFNKIYASSA-N 1 3 392.547 3.627 20 0 GHADHO CC(C)O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000638721078 910217430 /nfs/dbraw/zinc/21/74/30/910217430.db2.gz WTLWFXIPHKOVSI-DEOSSOPVSA-N 1 3 382.548 3.899 20 0 GHADHO CN1Cc2c(NC(=O)C34CC[NH+](CC3)CC4)cccc2[C@@H](c2ccccc2)C1 ZINC001181550667 910835156 /nfs/dbraw/zinc/83/51/56/910835156.db2.gz LEXIKPTUKBGLIH-HXUWFJFHSA-N 1 3 375.516 3.688 20 0 GHADHO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc3c2CN(C)C[C@@H]3c2ccccc2)C1 ZINC001181983727 911110077 /nfs/dbraw/zinc/11/00/77/911110077.db2.gz LXOBYWWSFMUCRH-TZIWHRDSSA-N 1 3 377.532 3.933 20 0 GHADHO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3c2CN(C)C[C@@H]3c2ccccc2)C1 ZINC001181983727 911110087 /nfs/dbraw/zinc/11/00/87/911110087.db2.gz LXOBYWWSFMUCRH-TZIWHRDSSA-N 1 3 377.532 3.933 20 0 GHADHO C[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc2n(n1)CCCC2 ZINC000647295895 915141052 /nfs/dbraw/zinc/14/10/52/915141052.db2.gz YHKHPVTUMKIMTB-IBGZPJMESA-N 1 3 382.552 3.587 20 0 GHADHO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647343918 915165440 /nfs/dbraw/zinc/16/54/40/915165440.db2.gz FVMJMDLIKUFNPS-NBCNXNJRSA-N 1 3 381.520 3.650 20 0 GHADHO COc1cc(CN2CCC(C)(OC)CC2)cc(C[NH+]2CCC(C)(OC)CC2)c1 ZINC000292974074 915928854 /nfs/dbraw/zinc/92/88/54/915928854.db2.gz QITUCYIWWIIQBR-UHFFFAOYSA-N 1 3 390.568 3.697 20 0 GHADHO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000650046628 916672841 /nfs/dbraw/zinc/67/28/41/916672841.db2.gz KAUOZRBRJMIHOI-BBWFWOEESA-N 1 3 384.442 3.644 20 0 GHADHO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000650046631 916672885 /nfs/dbraw/zinc/67/28/85/916672885.db2.gz KAUOZRBRJMIHOI-YESZJQIVSA-N 1 3 384.442 3.644 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5cccnc5)C4)[C@H]3C2)cc1 ZINC000295119549 917151134 /nfs/dbraw/zinc/15/11/34/917151134.db2.gz XDKHGPIWRGVNKO-VHJOFQCFSA-N 1 3 377.532 3.802 20 0 GHADHO CS(=O)(=O)c1cccc([C@@H](NCCC2(C[NH3+])CC2)c2ccc(Cl)cc2)c1 ZINC000650745275 917258406 /nfs/dbraw/zinc/25/84/06/917258406.db2.gz CSKDJSKRQDZUES-IBGZPJMESA-N 1 3 392.952 3.552 20 0 GHADHO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1 ZINC000775382878 917315178 /nfs/dbraw/zinc/31/51/78/917315178.db2.gz PXVXWIGHDBODEZ-XPQZIERPSA-N 1 3 387.568 3.637 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cc1CN1CCCCC1 ZINC000775402086 917456434 /nfs/dbraw/zinc/45/64/34/917456434.db2.gz YSBOPBQWDZRICJ-RBUKOAKNSA-N 1 3 386.536 3.776 20 0 GHADHO CC(C)(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N1CCCCC1 ZINC001149057063 920746908 /nfs/dbraw/zinc/74/69/08/920746908.db2.gz LPXRZQIZEKTGHE-NRFANRHFSA-N 1 3 383.580 3.669 20 0 GHADHO CC(C)(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N1CCCCC1 ZINC001149057063 920746915 /nfs/dbraw/zinc/74/69/15/920746915.db2.gz LPXRZQIZEKTGHE-NRFANRHFSA-N 1 3 383.580 3.669 20 0 GHADHO [NH3+]CCCC[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1F ZINC000902351499 922112765 /nfs/dbraw/zinc/11/27/65/922112765.db2.gz YZNAAJVVBLIYES-PXNSSMCTSA-N 1 3 379.495 3.516 20 0 GHADHO [NH3+]CCCC[C@H](NCCNC(=O)c1ccccc1Cl)c1ccc(F)cc1F ZINC000902364463 922126232 /nfs/dbraw/zinc/12/62/32/922126232.db2.gz SFPKKMDGWWEWMN-IBGZPJMESA-N 1 3 395.881 3.808 20 0 GHADHO CC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000902500732 922242203 /nfs/dbraw/zinc/24/22/03/922242203.db2.gz HAWWTZGFOCNXIY-SXWKCWPCSA-N 1 3 380.488 3.770 20 0 GHADHO C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000903026406 922716790 /nfs/dbraw/zinc/71/67/90/922716790.db2.gz ZLFTYZXGXJXBEF-MRXNPFEDSA-N 1 3 393.453 3.778 20 0 GHADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000903127991 922795826 /nfs/dbraw/zinc/79/58/26/922795826.db2.gz PNWYCXOECBETQC-TVFLVUDYSA-N 1 3 379.552 3.702 20 0 GHADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000903127991 922795836 /nfs/dbraw/zinc/79/58/36/922795836.db2.gz PNWYCXOECBETQC-TVFLVUDYSA-N 1 3 379.552 3.702 20 0 GHADHO COc1cccc([C@@H]2[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146213 922807253 /nfs/dbraw/zinc/80/72/53/922807253.db2.gz DUEDAAFUINEHIX-WDJPGHOQSA-N 1 3 381.564 3.720 20 0 GHADHO COc1cccc([C@@H]2[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146213 922807261 /nfs/dbraw/zinc/80/72/61/922807261.db2.gz DUEDAAFUINEHIX-WDJPGHOQSA-N 1 3 381.564 3.720 20 0 GHADHO Fc1ccc(-c2cn3c(n2)CC[C@@H](NC2C[C@H]4CC[C@@H](C2)[N@H+]4C2CC2)C3)c(F)c1 ZINC000903187735 922841287 /nfs/dbraw/zinc/84/12/87/922841287.db2.gz WHKPCVZVFUHXDS-VBZNHOPUSA-N 1 3 398.501 3.891 20 0 GHADHO Fc1ccc(-c2cn3c(n2)CC[C@@H](NC2C[C@H]4CC[C@@H](C2)[N@@H+]4C2CC2)C3)c(F)c1 ZINC000903187735 922841304 /nfs/dbraw/zinc/84/13/04/922841304.db2.gz WHKPCVZVFUHXDS-VBZNHOPUSA-N 1 3 398.501 3.891 20 0 GHADHO Cc1c(C[C@@H](CN)C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCC2)cnn1C ZINC000903925964 923402654 /nfs/dbraw/zinc/40/26/54/923402654.db2.gz QCJFLKUYFRSPIB-INIZCTEOSA-N 1 3 394.485 3.576 20 0 GHADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000370725627 924276013 /nfs/dbraw/zinc/27/60/13/924276013.db2.gz UNMILUXXIPRLNR-REWPJTCUSA-N 1 3 394.563 3.640 20 0 GHADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000370725627 924276026 /nfs/dbraw/zinc/27/60/26/924276026.db2.gz UNMILUXXIPRLNR-REWPJTCUSA-N 1 3 394.563 3.640 20 0 GHADHO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C2)CC1 ZINC000677386895 924347228 /nfs/dbraw/zinc/34/72/28/924347228.db2.gz KLTPQBAZCMVMFW-GOTSBHOMSA-N 1 3 398.595 3.587 20 0 GHADHO Cc1cc(Br)ccc1CN1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000678296130 924712342 /nfs/dbraw/zinc/71/23/42/924712342.db2.gz PJZFOCMINYETRD-UHFFFAOYSA-N 1 3 394.401 3.748 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335521 925099671 /nfs/dbraw/zinc/09/96/71/925099671.db2.gz BCQUEKWOCUHNKB-RCZVLFRGSA-N 1 3 391.559 3.982 20 0 GHADHO CC(=O)N1CC[C@@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335521 925099678 /nfs/dbraw/zinc/09/96/78/925099678.db2.gz BCQUEKWOCUHNKB-RCZVLFRGSA-N 1 3 391.559 3.982 20 0 GHADHO CC(C)c1ccccc1OC[C@H](O)CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372573852 925547542 /nfs/dbraw/zinc/54/75/42/925547542.db2.gz MXSOOMCAUFNCRY-IMSXRSKXSA-N 1 3 397.563 3.570 20 0 GHADHO CC(C)c1ccccc1OC[C@H](O)CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372573852 925547548 /nfs/dbraw/zinc/54/75/48/925547548.db2.gz MXSOOMCAUFNCRY-IMSXRSKXSA-N 1 3 397.563 3.570 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000682110715 926015958 /nfs/dbraw/zinc/01/59/58/926015958.db2.gz YOAAGKLQMNYTDH-UHFFFAOYSA-N 1 3 394.563 3.839 20 0 GHADHO C[NH+](C)CCOc1ccccc1CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411749613 926728814 /nfs/dbraw/zinc/72/88/14/926728814.db2.gz LOUJHWXJNJTOHP-UHFFFAOYSA-N 1 3 395.547 3.543 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1CN1CCCCC1 ZINC000374991824 927788002 /nfs/dbraw/zinc/78/80/02/927788002.db2.gz SUNPREOXZCEOPJ-HARLFGEKSA-N 1 3 388.552 3.670 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cccc2F)s1 ZINC000750734914 927821194 /nfs/dbraw/zinc/82/11/94/927821194.db2.gz QFZLXLPDAZHBGS-OAHLLOKOSA-N 1 3 377.529 3.529 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000544041591 928724543 /nfs/dbraw/zinc/72/45/43/928724543.db2.gz RGKBQLKGWPOAJM-CQSZACIVSA-N 1 3 394.357 3.773 20 0 GHADHO Cc1ccc(SCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1C ZINC000544491698 929230784 /nfs/dbraw/zinc/23/07/84/929230784.db2.gz ACBKKWAQSTWHBU-UHFFFAOYSA-N 1 3 375.626 3.745 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C ZINC000753662225 929468346 /nfs/dbraw/zinc/46/83/46/929468346.db2.gz QWHMOXQDDRHRQT-RRPUWOKSSA-N 1 3 382.548 3.846 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C ZINC000753662225 929468355 /nfs/dbraw/zinc/46/83/55/929468355.db2.gz QWHMOXQDDRHRQT-RRPUWOKSSA-N 1 3 382.548 3.846 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000757772793 929795224 /nfs/dbraw/zinc/79/52/24/929795224.db2.gz KXPYGSGZHMYNLE-XXBNENTESA-N 1 3 394.563 3.553 20 0 GHADHO CC(C)[NH+]1CCC(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)CC1 ZINC000469357822 929817895 /nfs/dbraw/zinc/81/78/95/929817895.db2.gz BDKAWALSUHANPZ-UHFFFAOYSA-N 1 3 391.987 3.885 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](Cc3ccccc3N3CCCCC3)CC2)CC1 ZINC000757966037 929873866 /nfs/dbraw/zinc/87/38/66/929873866.db2.gz SUGYJPBPHFPAKP-UHFFFAOYSA-N 1 3 384.612 3.526 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000470378392 930571889 /nfs/dbraw/zinc/57/18/89/930571889.db2.gz ZUXFBQROCBPQQJ-QZTJIDSGSA-N 1 3 377.532 3.698 20 0 GHADHO C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780881449 930625846 /nfs/dbraw/zinc/62/58/46/930625846.db2.gz CWBBEAGIXGZCGY-UNMCSNQZSA-N 1 3 378.564 3.761 20 0 GHADHO C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780881449 930625855 /nfs/dbraw/zinc/62/58/55/930625855.db2.gz CWBBEAGIXGZCGY-UNMCSNQZSA-N 1 3 378.564 3.761 20 0 GHADHO CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470751638 930882726 /nfs/dbraw/zinc/88/27/26/930882726.db2.gz OBLQDSIYDXXXBF-OAQYLSRUSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124077 932057080 /nfs/dbraw/zinc/05/70/80/932057080.db2.gz FVMGIFCRJRVRQL-WZONZLPQSA-N 1 3 382.548 3.722 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124077 932057084 /nfs/dbraw/zinc/05/70/84/932057084.db2.gz FVMGIFCRJRVRQL-WZONZLPQSA-N 1 3 382.548 3.722 20 0 GHADHO C[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934047 932822851 /nfs/dbraw/zinc/82/28/51/932822851.db2.gz BQJDRDNHZGEVTF-XXBNENTESA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934047 932822858 /nfs/dbraw/zinc/82/28/58/932822858.db2.gz BQJDRDNHZGEVTF-XXBNENTESA-N 1 3 375.520 3.830 20 0 GHADHO CC1CC[NH+](CCc2nnc([C@H]3CCCN(Cc4cccc(F)c4)C3)o2)CC1 ZINC001117221673 933894824 /nfs/dbraw/zinc/89/48/24/933894824.db2.gz JSCMDQKNGWENAE-IBGZPJMESA-N 1 3 386.515 3.863 20 0 GHADHO Cc1ccc([C@H](OC[C@@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c2ccccc2)cc1 ZINC001120520221 934469550 /nfs/dbraw/zinc/46/95/50/934469550.db2.gz SYJJMZDXTJRPSS-FQUZAXHOSA-N 1 3 394.559 3.678 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297011 935607757 /nfs/dbraw/zinc/60/77/57/935607757.db2.gz SDQSGPQXCFHHAR-QIJUGHKUSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297011 935607761 /nfs/dbraw/zinc/60/77/61/935607761.db2.gz SDQSGPQXCFHHAR-QIJUGHKUSA-N 1 3 385.552 3.640 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCCC[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001220704153 1032072918 /nfs/dbraw/zinc/07/29/18/1032072918.db2.gz IKRXXZYCBJGUPL-IFMALSPDSA-N 1 3 386.584 3.523 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001220704153 1032072937 /nfs/dbraw/zinc/07/29/37/1032072937.db2.gz IKRXXZYCBJGUPL-IFMALSPDSA-N 1 3 386.584 3.523 20 0 GHADHO CCCCN(CC)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1ccccc1 ZINC001220803172 1032127044 /nfs/dbraw/zinc/12/70/44/1032127044.db2.gz CKUNHJCTHAUREH-KSZLIROESA-N 1 3 385.474 3.506 20 0 GHADHO CCc1ccc(CN(CC[NH3+])C(=O)C[C@@H](N)c2cccc(Cl)c2Cl)cc1 ZINC001220905056 1032180498 /nfs/dbraw/zinc/18/04/98/1032180498.db2.gz NVUUTOTZMGNGTP-GOSISDBHSA-N 1 3 394.346 3.933 20 0 GHADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)NCC2(CC3CCC3)CC[NH2+]CC2)cc1 ZINC001221130478 1032298155 /nfs/dbraw/zinc/29/81/55/1032298155.db2.gz TYTXJUKQCQLHPQ-OAQYLSRUSA-N 1 3 385.596 3.530 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H]1CCc2ccccc2C1 ZINC001227161657 1032300145 /nfs/dbraw/zinc/30/01/45/1032300145.db2.gz VHOOVOMRGNEGCA-XMMPIXPASA-N 1 3 395.591 3.808 20 0 GHADHO Cc1ccc([C@@H](C)Oc2c(CN(C)C)cc(C[NH+](C)C)cc2CN(C)C)cn1 ZINC001227160533 1032300616 /nfs/dbraw/zinc/30/06/16/1032300616.db2.gz IYOBWSDFNVNUAS-GOSISDBHSA-N 1 3 384.568 3.715 20 0 GHADHO CC(C)[C@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)C(F)(F)F ZINC001227160927 1032301012 /nfs/dbraw/zinc/30/10/12/1032301012.db2.gz OSXNNBXGHBBEBR-IBGZPJMESA-N 1 3 389.506 3.837 20 0 GHADHO CCCCN(CC)[C@@H](C(=O)N[C@@H](C[NH3+])c1cccc(OC)c1)c1ccccc1 ZINC001221404341 1032400119 /nfs/dbraw/zinc/40/01/19/1032400119.db2.gz HOCIXFSKRCHTFV-FCHUYYIVSA-N 1 3 383.536 3.675 20 0 GHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001221794848 1032538071 /nfs/dbraw/zinc/53/80/71/1032538071.db2.gz YOJCPSISYGICOR-JTHBVZDNSA-N 1 3 386.584 3.605 20 0 GHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001221794848 1032538081 /nfs/dbraw/zinc/53/80/81/1032538081.db2.gz YOJCPSISYGICOR-JTHBVZDNSA-N 1 3 386.584 3.605 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1cc(F)cc(F)c1)CC2 ZINC001204229157 1032674386 /nfs/dbraw/zinc/67/43/86/1032674386.db2.gz AAZNBLIVOCCIOW-OAQYLSRUSA-N 1 3 387.474 3.615 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1cc(F)cc(F)c1)CC2 ZINC001204229157 1032674388 /nfs/dbraw/zinc/67/43/88/1032674388.db2.gz AAZNBLIVOCCIOW-OAQYLSRUSA-N 1 3 387.474 3.615 20 0 GHADHO CN(C)C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000558881821 1017308499 /nfs/dbraw/zinc/30/84/99/1017308499.db2.gz ZJLZWCQDCLTDNA-WOJBJXKFSA-N 1 3 388.943 3.545 20 0 GHADHO Cc1ccc(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)c(CN(C)C)c1 ZINC000932806984 1018682229 /nfs/dbraw/zinc/68/22/29/1018682229.db2.gz XKKSLNXPAXTTMV-UHFFFAOYSA-N 1 3 383.536 3.568 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000564017879 1018995206 /nfs/dbraw/zinc/99/52/06/1018995206.db2.gz SPOSRFOPKBZUKN-YADHBBJMSA-N 1 3 387.568 3.600 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000564017879 1018995207 /nfs/dbraw/zinc/99/52/07/1018995207.db2.gz SPOSRFOPKBZUKN-YADHBBJMSA-N 1 3 387.568 3.600 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000578319563 1020343485 /nfs/dbraw/zinc/34/34/85/1020343485.db2.gz QIKMSSFRNGXDCY-WZONZLPQSA-N 1 3 377.532 3.564 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000578319563 1020343491 /nfs/dbraw/zinc/34/34/91/1020343491.db2.gz QIKMSSFRNGXDCY-WZONZLPQSA-N 1 3 377.532 3.564 20 0 GHADHO O=c1c(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cccn1C(F)F ZINC000638530451 1021046122 /nfs/dbraw/zinc/04/61/22/1021046122.db2.gz LQSQVTQFUVBABX-UHFFFAOYSA-N 1 3 395.881 3.899 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000834578346 1021279080 /nfs/dbraw/zinc/27/90/80/1021279080.db2.gz MBWJIQOTIAAGIK-JLLPCOHGSA-N 1 3 380.532 3.761 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000834578346 1021279088 /nfs/dbraw/zinc/27/90/88/1021279088.db2.gz MBWJIQOTIAAGIK-JLLPCOHGSA-N 1 3 380.532 3.761 20 0 GHADHO C[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1nc(Br)cs1 ZINC000834630176 1021330888 /nfs/dbraw/zinc/33/08/88/1021330888.db2.gz WUCMYNNNUXSZAG-LBPRGKRZSA-N 1 3 381.343 3.868 20 0 GHADHO COC(=O)c1ccc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)s1 ZINC001140521567 1021913080 /nfs/dbraw/zinc/91/30/80/1021913080.db2.gz ZNHFZGCWXFDCCK-UHFFFAOYSA-N 1 3 399.560 3.806 20 0 GHADHO COC(=O)c1ccc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)s1 ZINC001140521567 1021913083 /nfs/dbraw/zinc/91/30/83/1021913083.db2.gz ZNHFZGCWXFDCCK-UHFFFAOYSA-N 1 3 399.560 3.806 20 0 GHADHO CCCCc1ncc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001141070339 1023422273 /nfs/dbraw/zinc/42/22/73/1023422273.db2.gz VGMRFMYOOIVTHN-VLCRHTCISA-N 1 3 381.568 3.880 20 0 GHADHO CCCCc1ncc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001141070339 1023422276 /nfs/dbraw/zinc/42/22/76/1023422276.db2.gz VGMRFMYOOIVTHN-VLCRHTCISA-N 1 3 381.568 3.880 20 0 GHADHO COC(=O)c1ccc2c(C[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c[nH]c2c1 ZINC001138266322 1024503511 /nfs/dbraw/zinc/50/35/11/1024503511.db2.gz PXJKBCKEGFEMMY-OYRHEFFESA-N 1 3 389.499 3.518 20 0 GHADHO COC(=O)c1ccc2c(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c[nH]c2c1 ZINC001138266322 1024503527 /nfs/dbraw/zinc/50/35/27/1024503527.db2.gz PXJKBCKEGFEMMY-OYRHEFFESA-N 1 3 389.499 3.518 20 0 GHADHO Cn1nc(C(F)(F)F)cc1-c1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)s1 ZINC001138272757 1024518889 /nfs/dbraw/zinc/51/88/89/1024518889.db2.gz OQNTUUJHPITYHV-OLZOCXBDSA-N 1 3 384.471 3.551 20 0 GHADHO Cn1nc(C(F)(F)F)cc1-c1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)s1 ZINC001138272757 1024518895 /nfs/dbraw/zinc/51/88/95/1024518895.db2.gz OQNTUUJHPITYHV-OLZOCXBDSA-N 1 3 384.471 3.551 20 0 GHADHO c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc(OC5CCOCC5)cc4)C[C@@H]3C2)cc1 ZINC001141413268 1024933187 /nfs/dbraw/zinc/93/31/87/1024933187.db2.gz MMADMMGILHPDOE-ZRZAMGCNSA-N 1 3 392.543 3.808 20 0 GHADHO c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc(OC5CCOCC5)cc4)C[C@@H]3C2)cc1 ZINC001141413268 1024933190 /nfs/dbraw/zinc/93/31/90/1024933190.db2.gz MMADMMGILHPDOE-ZRZAMGCNSA-N 1 3 392.543 3.808 20 0 GHADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC001138516020 1024955011 /nfs/dbraw/zinc/95/50/11/1024955011.db2.gz FINFQPFWRQOQJL-UHFFFAOYSA-N 1 3 384.520 3.679 20 0 GHADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC001138516020 1024955012 /nfs/dbraw/zinc/95/50/12/1024955012.db2.gz FINFQPFWRQOQJL-UHFFFAOYSA-N 1 3 384.520 3.679 20 0 GHADHO CN1CCN(C2(c3ccc(Nc4ccc(CC[NH+](C)C)cc4)cc3)CC2)CC1 ZINC001205120310 1033264771 /nfs/dbraw/zinc/26/47/71/1033264771.db2.gz OJMYOIAUMJKWLT-UHFFFAOYSA-N 1 3 378.564 3.771 20 0 GHADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccccc1-n1cncn1)CC2 ZINC001139419423 1026290598 /nfs/dbraw/zinc/29/05/98/1026290598.db2.gz KDDIDXNWIWYTHZ-JOCHJYFZSA-N 1 3 391.519 3.737 20 0 GHADHO CO[C@@H]1CCC[N@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139513368 1026368346 /nfs/dbraw/zinc/36/83/46/1026368346.db2.gz QZLBRVLVLSXQSG-HSZRJFAPSA-N 1 3 379.548 3.620 20 0 GHADHO CO[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139513368 1026368355 /nfs/dbraw/zinc/36/83/55/1026368355.db2.gz QZLBRVLVLSXQSG-HSZRJFAPSA-N 1 3 379.548 3.620 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CCCO1 ZINC001139515540 1026372492 /nfs/dbraw/zinc/37/24/92/1026372492.db2.gz QWJQMKRDSXYVMA-NRFANRHFSA-N 1 3 379.548 3.620 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CCCO1 ZINC001139515540 1026372504 /nfs/dbraw/zinc/37/25/04/1026372504.db2.gz QWJQMKRDSXYVMA-NRFANRHFSA-N 1 3 379.548 3.620 20 0 GHADHO CN(Cc1ccc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)nc1)C1CC1 ZINC001165154743 1026637503 /nfs/dbraw/zinc/63/75/03/1026637503.db2.gz ORJBFXZVEOQDPI-UHFFFAOYSA-N 1 3 376.548 3.703 20 0 GHADHO CN(Cc1ccc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)nc1)C1CC1 ZINC001165154743 1026637512 /nfs/dbraw/zinc/63/75/12/1026637512.db2.gz ORJBFXZVEOQDPI-UHFFFAOYSA-N 1 3 376.548 3.703 20 0 GHADHO Cn1ncc2ccc(CN3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC001139911107 1026724597 /nfs/dbraw/zinc/72/45/97/1026724597.db2.gz IYRJSWJJVLERSE-JVNMPXIPSA-N 1 3 376.548 3.968 20 0 GHADHO Cn1ncc2ccc(CN3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC001139911107 1026724602 /nfs/dbraw/zinc/72/46/02/1026724602.db2.gz IYRJSWJJVLERSE-JVNMPXIPSA-N 1 3 376.548 3.968 20 0 GHADHO Cn1ccc2c1ccnc2N(c1cccc(F)c1)[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001165482678 1026743162 /nfs/dbraw/zinc/74/31/62/1026743162.db2.gz VUSABWJIXZLEGO-XMSQKQJNSA-N 1 3 380.467 3.762 20 0 GHADHO COc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc2c1OCO2 ZINC001209718898 1027117199 /nfs/dbraw/zinc/11/71/99/1027117199.db2.gz RDOLPNFZKRXPKD-SFTDATJTSA-N 1 3 394.515 3.768 20 0 GHADHO COc1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc2c1OCO2 ZINC001209718898 1027117205 /nfs/dbraw/zinc/11/72/05/1027117205.db2.gz RDOLPNFZKRXPKD-SFTDATJTSA-N 1 3 394.515 3.768 20 0 GHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC001203954995 1027751721 /nfs/dbraw/zinc/75/17/21/1027751721.db2.gz DJRBABUODXGCCJ-QFIPXVFZSA-N 1 3 395.547 3.593 20 0 GHADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001142137803 1028227841 /nfs/dbraw/zinc/22/78/41/1028227841.db2.gz CRMYYYQEJSESME-YOUFYPILSA-N 1 3 389.559 3.520 20 0 GHADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001142137803 1028227853 /nfs/dbraw/zinc/22/78/53/1028227853.db2.gz CRMYYYQEJSESME-YOUFYPILSA-N 1 3 389.559 3.520 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccnc3[nH]ccc31)CC2 ZINC001142875177 1029621797 /nfs/dbraw/zinc/62/17/97/1029621797.db2.gz ZFRPJKWIQKPWFW-NRFANRHFSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccnc3[nH]ccc31)CC2 ZINC001142875177 1029621804 /nfs/dbraw/zinc/62/18/04/1029621804.db2.gz ZFRPJKWIQKPWFW-NRFANRHFSA-N 1 3 390.531 3.818 20 0 GHADHO CN(Cc1ccccc1)Cc1cccc(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000843135287 1029821159 /nfs/dbraw/zinc/82/11/59/1029821159.db2.gz FHGJNENBLONHCK-UHFFFAOYSA-N 1 3 376.504 3.911 20 0 GHADHO CC(C)(C)OC(=O)NC/C=C/CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407631 1029980701 /nfs/dbraw/zinc/98/07/01/1029980701.db2.gz VMWYKBOZCZPQQG-DUIUGDAFSA-N 1 3 385.552 3.854 20 0 GHADHO CC(C)(C)OC(=O)NC/C=C/CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407631 1029980707 /nfs/dbraw/zinc/98/07/07/1029980707.db2.gz VMWYKBOZCZPQQG-DUIUGDAFSA-N 1 3 385.552 3.854 20 0 GHADHO c1[nH]c2c(cccc2OCc2ccccc2)c1CN1CCC2(CC1)C[NH2+]CCO2 ZINC001222208852 1030005546 /nfs/dbraw/zinc/00/55/46/1030005546.db2.gz SVTGVLTWURGJDG-UHFFFAOYSA-N 1 3 391.515 3.701 20 0 GHADHO CCOC(=O)[C@H]1CC2(CN1C[C@H](C)c1cccc3ccccc31)CC[NH2+]CC2 ZINC001222216132 1030010996 /nfs/dbraw/zinc/01/09/96/1030010996.db2.gz XFQKMNQEHFDMDT-PGRDOPGGSA-N 1 3 380.532 3.951 20 0 GHADHO C[NH+]1CCC(C(=O)N(Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001143311651 1030017874 /nfs/dbraw/zinc/01/78/74/1030017874.db2.gz UJOZDNKUMTZXHH-XMMPIXPASA-N 1 3 391.559 3.632 20 0 GHADHO C[NH+](C)CCc1cccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC001152028834 1031079531 /nfs/dbraw/zinc/07/95/31/1031079531.db2.gz CRTRNSGTSYGHDJ-QHCPKHFHSA-N 1 3 379.548 3.575 20 0 GHADHO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001218860606 1031121310 /nfs/dbraw/zinc/12/13/10/1031121310.db2.gz GALVEFGNCGWOEV-XZOQPEGZSA-N 1 3 393.531 3.983 20 0 GHADHO N[C@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C1CC[NH2+]CC1 ZINC001218940962 1031167212 /nfs/dbraw/zinc/16/72/12/1031167212.db2.gz KEQHAQFSHGYNBP-SFHVURJKSA-N 1 3 393.409 3.763 20 0 GHADHO CC1([NH+]2CCC2)CCC(NCc2c(Cl)cccc2N2CCOCC2)CC1 ZINC001461800598 1069756674 /nfs/dbraw/zinc/75/66/74/1069756674.db2.gz PBUMHJANWGILQE-UHFFFAOYSA-N 1 3 377.960 3.673 20 0 GHADHO CC(C)[C@H](CNC(=O)N(CCN(C)C)CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC001220613925 1032012781 /nfs/dbraw/zinc/01/27/81/1032012781.db2.gz FXCKOUFYTDPDKI-QFIPXVFZSA-N 1 3 394.648 3.896 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CCN(Cc3cccc4[nH]ccc43)CC2)C1 ZINC001205306126 1033351959 /nfs/dbraw/zinc/35/19/59/1033351959.db2.gz VIPPTHGPSKMXNM-SFHVURJKSA-N 1 3 398.551 3.731 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CCN(Cc3cccc4[nH]ccc43)CC2)C1 ZINC001205306126 1033351968 /nfs/dbraw/zinc/35/19/68/1033351968.db2.gz VIPPTHGPSKMXNM-SFHVURJKSA-N 1 3 398.551 3.731 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CC[C@@H](C[NH3+])[C@@H](C)CC3)c2n1 ZINC001205638508 1033504924 /nfs/dbraw/zinc/50/49/24/1033504924.db2.gz OTFAGFQAKGDPDP-KBPBESRZSA-N 1 3 392.341 3.813 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CCC[C@@](C)(C[NH3+])CC3)c2n1 ZINC001206318613 1033792990 /nfs/dbraw/zinc/79/29/90/1033792990.db2.gz RYGRLRRZIQGJSK-LJQANCHMSA-N 1 3 392.341 3.957 20 0 GHADHO [NH3+]CC1(c2ccccc2)CCN(Cc2cnc3cc(Br)ccn23)CC1 ZINC001206755063 1033969032 /nfs/dbraw/zinc/96/90/32/1033969032.db2.gz ADPRKNKKXSWWJQ-UHFFFAOYSA-N 1 3 399.336 3.589 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c(F)cncc1F)CC2 ZINC001206857965 1034036674 /nfs/dbraw/zinc/03/66/74/1034036674.db2.gz IZSNVNRKUXDWDD-GOSISDBHSA-N 1 3 387.474 3.615 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1c(F)cncc1F)CC2 ZINC001206857965 1034036681 /nfs/dbraw/zinc/03/66/81/1034036681.db2.gz IZSNVNRKUXDWDD-GOSISDBHSA-N 1 3 387.474 3.615 20 0 GHADHO CC(C)CC[NH+]1CCC(NC[C@@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC001207481887 1034392236 /nfs/dbraw/zinc/39/22/36/1034392236.db2.gz AKRMPOWBFIQVOZ-WWAKMMQFSA-N 1 3 394.600 3.756 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770290 1034567737 /nfs/dbraw/zinc/56/77/37/1034567737.db2.gz SZBGTKNLIQWLCG-VXKWHMMOSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CC[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770290 1034567745 /nfs/dbraw/zinc/56/77/45/1034567745.db2.gz SZBGTKNLIQWLCG-VXKWHMMOSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CCN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770290 1034567749 /nfs/dbraw/zinc/56/77/49/1034567749.db2.gz SZBGTKNLIQWLCG-VXKWHMMOSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC(CCN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770290 1034567760 /nfs/dbraw/zinc/56/77/60/1034567760.db2.gz SZBGTKNLIQWLCG-VXKWHMMOSA-N 1 3 399.579 3.697 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nccc4scnc43)c3ccccc23)CC1 ZINC001159460434 1034606031 /nfs/dbraw/zinc/60/60/31/1034606031.db2.gz IYKYDEPSLXTQFQ-UHFFFAOYSA-N 1 3 377.517 3.601 20 0 GHADHO C[C@H]1CCc2nnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)cc2C1 ZINC001159468561 1034609624 /nfs/dbraw/zinc/60/96/24/1034609624.db2.gz ZVTLHOMZFAQASQ-KRWDZBQOSA-N 1 3 389.547 3.511 20 0 GHADHO C(=CC1CC[NH2+]CC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001159508886 1034624759 /nfs/dbraw/zinc/62/47/59/1034624759.db2.gz XCVGYWJHYMHYKV-NTCAYCPXSA-N 1 3 376.548 3.934 20 0 GHADHO Fc1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1N1CC[NH2+]CC1 ZINC001159537725 1034651164 /nfs/dbraw/zinc/65/11/64/1034651164.db2.gz ODUNEHGBHPMZFZ-YADHBBJMSA-N 1 3 392.522 3.968 20 0 GHADHO Cc1ccc([C@H](C)CC[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C(C)C)C2)o1 ZINC001208154355 1034759234 /nfs/dbraw/zinc/75/92/34/1034759234.db2.gz GWJVMUFUCMUWIQ-PBASOCQRSA-N 1 3 385.556 3.547 20 0 GHADHO Cc1ccc([C@H](C)CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C(C)C)C2)o1 ZINC001208154355 1034759245 /nfs/dbraw/zinc/75/92/45/1034759245.db2.gz GWJVMUFUCMUWIQ-PBASOCQRSA-N 1 3 385.556 3.547 20 0 GHADHO C[NH+](C)CC1(CN2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)CCCC1 ZINC001208185149 1034781345 /nfs/dbraw/zinc/78/13/45/1034781345.db2.gz LGLILFKSAAIRAB-UHFFFAOYSA-N 1 3 395.591 3.899 20 0 GHADHO CN1C(=O)[C@@H](c2ccccc2)CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208186487 1034783705 /nfs/dbraw/zinc/78/37/05/1034783705.db2.gz LIKKQQNGTBSTGH-OAQYLSRUSA-N 1 3 383.580 3.589 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001231641153 1034799101 /nfs/dbraw/zinc/79/91/01/1034799101.db2.gz RXULSXDQBHYVAW-HSZRJFAPSA-N 1 3 379.548 3.900 20 0 GHADHO CCc1ccc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001231641153 1034799113 /nfs/dbraw/zinc/79/91/13/1034799113.db2.gz RXULSXDQBHYVAW-HSZRJFAPSA-N 1 3 379.548 3.900 20 0 GHADHO COc1ccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc1OC(C)=O ZINC001231709102 1034850807 /nfs/dbraw/zinc/85/08/07/1034850807.db2.gz WZWNSVXCPPCWBY-UHFFFAOYSA-N 1 3 398.503 3.702 20 0 GHADHO COc1ccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1OC(C)=O ZINC001231709102 1034850823 /nfs/dbraw/zinc/85/08/23/1034850823.db2.gz WZWNSVXCPPCWBY-UHFFFAOYSA-N 1 3 398.503 3.702 20 0 GHADHO CCN1CCN(c2ccc(Nc3cccc(O[C@@H]4CCC[NH2+]C4)c3)cc2)CC1 ZINC001160210839 1034902744 /nfs/dbraw/zinc/90/27/44/1034902744.db2.gz FVFYAXYMJYWUBQ-HSZRJFAPSA-N 1 3 380.536 3.703 20 0 GHADHO C[NH+]1CCC(C2CCN(Cc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)CC1 ZINC001231840098 1034935909 /nfs/dbraw/zinc/93/59/09/1034935909.db2.gz QITMTWTUKWKDFC-UHFFFAOYSA-N 1 3 388.556 3.982 20 0 GHADHO CN1CC=C(N(c2ccccc2N)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001208909841 1035085543 /nfs/dbraw/zinc/08/55/43/1035085543.db2.gz HGBRYAODFKFMIG-UHFFFAOYSA-N 1 3 376.548 3.959 20 0 GHADHO OC1(Cc2ccccc2)CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208930010 1035093301 /nfs/dbraw/zinc/09/33/01/1035093301.db2.gz YSMOBBJHSCMWGG-XMMPIXPASA-N 1 3 378.560 3.968 20 0 GHADHO OC1(Cc2ccccc2)CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208930010 1035093306 /nfs/dbraw/zinc/09/33/06/1035093306.db2.gz YSMOBBJHSCMWGG-XMMPIXPASA-N 1 3 378.560 3.968 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931256 1035095497 /nfs/dbraw/zinc/09/54/97/1035095497.db2.gz IQRDXEIUXHDDKV-CEXWTWQISA-N 1 3 388.449 3.626 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931256 1035095507 /nfs/dbraw/zinc/09/55/07/1035095507.db2.gz IQRDXEIUXHDDKV-CEXWTWQISA-N 1 3 388.449 3.626 20 0 GHADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@]1(O)C(F)(F)F ZINC001208930778 1035095563 /nfs/dbraw/zinc/09/55/63/1035095563.db2.gz DPSZMZSRBHELOM-YZGWKJHDSA-N 1 3 384.486 3.924 20 0 GHADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@]1(O)C(F)(F)F ZINC001208930778 1035095573 /nfs/dbraw/zinc/09/55/73/1035095573.db2.gz DPSZMZSRBHELOM-YZGWKJHDSA-N 1 3 384.486 3.924 20 0 GHADHO CC(C)(C)CC(=O)NC1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208944922 1035115933 /nfs/dbraw/zinc/11/59/33/1035115933.db2.gz PQJWGQDGFZLZDB-NRFANRHFSA-N 1 3 385.596 3.915 20 0 GHADHO CC(C)(C)CC(=O)NC1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208944922 1035115936 /nfs/dbraw/zinc/11/59/36/1035115936.db2.gz PQJWGQDGFZLZDB-NRFANRHFSA-N 1 3 385.596 3.915 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952532 1035125311 /nfs/dbraw/zinc/12/53/11/1035125311.db2.gz KDASLHNHYRGYKK-LEWJYISDSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952532 1035125318 /nfs/dbraw/zinc/12/53/18/1035125318.db2.gz KDASLHNHYRGYKK-LEWJYISDSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001208998343 1035142349 /nfs/dbraw/zinc/14/23/49/1035142349.db2.gz JPMHBDIJWFTIAH-FQEVSTJZSA-N 1 3 385.552 3.594 20 0 GHADHO Cn1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C2CC2)n1 ZINC001232169432 1035142447 /nfs/dbraw/zinc/14/24/47/1035142447.db2.gz ATDOJXXGGNJEBS-JOCHJYFZSA-N 1 3 394.563 3.553 20 0 GHADHO Cn1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C2CC2)n1 ZINC001232169432 1035142450 /nfs/dbraw/zinc/14/24/50/1035142450.db2.gz ATDOJXXGGNJEBS-JOCHJYFZSA-N 1 3 394.563 3.553 20 0 GHADHO CN(C)c1cccc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)n1 ZINC001161577417 1035262770 /nfs/dbraw/zinc/26/27/70/1035262770.db2.gz MLAUPOYPIFCIFU-UHFFFAOYSA-N 1 3 378.442 3.900 20 0 GHADHO CC[C@H](C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468379 1035282459 /nfs/dbraw/zinc/28/24/59/1035282459.db2.gz MAHWRQUUCKNJFX-VQTJNVASSA-N 1 3 375.557 3.744 20 0 GHADHO CC[C@H](C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468379 1035282463 /nfs/dbraw/zinc/28/24/63/1035282463.db2.gz MAHWRQUUCKNJFX-VQTJNVASSA-N 1 3 375.557 3.744 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4cc5c(cn4)OCCC5)CC[C@H]3C2)cc1 ZINC001209508083 1035296015 /nfs/dbraw/zinc/29/60/15/1035296015.db2.gz ZIRHSWKLNHJHTL-FCHUYYIVSA-N 1 3 377.532 3.751 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H]3CN(Cc4cc5c(cn4)OCCC5)CC[C@H]3C2)cc1 ZINC001209508083 1035296021 /nfs/dbraw/zinc/29/60/21/1035296021.db2.gz ZIRHSWKLNHJHTL-FCHUYYIVSA-N 1 3 377.532 3.751 20 0 GHADHO CCOC(=O)c1cc2c(cc(C)nc2-c2ccc(OCC[NH+](C)C)cc2)n1C ZINC001242148467 1035831870 /nfs/dbraw/zinc/83/18/70/1035831870.db2.gz ANPJBCLLRNZSMC-UHFFFAOYSA-N 1 3 381.476 3.666 20 0 GHADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC001248529216 1035934240 /nfs/dbraw/zinc/93/42/40/1035934240.db2.gz ASYVSHMBAFAZII-TZIWHRDSSA-N 1 3 386.584 3.728 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1ccc3n1CCC3)CC2 ZINC001248822504 1036184405 /nfs/dbraw/zinc/18/44/05/1036184405.db2.gz OAFRGIHWYVSSAM-FQEVSTJZSA-N 1 3 385.577 3.751 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1ccc3n1CCC3)CC2 ZINC001248822504 1036184413 /nfs/dbraw/zinc/18/44/13/1036184413.db2.gz OAFRGIHWYVSSAM-FQEVSTJZSA-N 1 3 385.577 3.751 20 0 GHADHO O[C@]1(C[NH2+]C2CCC(c3ccc(Br)cc3)CC2)CCCCNC1 ZINC001246090565 1037191568 /nfs/dbraw/zinc/19/15/68/1037191568.db2.gz BLFULMNXFBTIQC-NKELODKYSA-N 1 3 381.358 3.570 20 0 GHADHO CCOC(=O)CC1(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC001246206162 1037239110 /nfs/dbraw/zinc/23/91/10/1037239110.db2.gz XXINCAHPXZURPQ-FCHUYYIVSA-N 1 3 378.516 3.560 20 0 GHADHO CCOC(=O)CCc1ccc(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246363849 1037325672 /nfs/dbraw/zinc/32/56/72/1037325672.db2.gz TTXMTNWZRGNTJD-DHIUTWEWSA-N 1 3 380.532 3.635 20 0 GHADHO CC(C)CCN1CCC([NH2+]C[C@](C)(O)c2ccccc2Br)CC1 ZINC001462180797 1070059986 /nfs/dbraw/zinc/05/99/86/1070059986.db2.gz YYJAXEKYNGQCFM-IBGZPJMESA-N 1 3 383.374 3.757 20 0 GHADHO CCOC(=O)CC1CCC([NH2+]C2(Cc3ccc(F)cc3)CCNCC2)CC1 ZINC001246393628 1037354732 /nfs/dbraw/zinc/35/47/32/1037354732.db2.gz WWHQUCMONVWEEO-UHFFFAOYSA-N 1 3 376.516 3.592 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN[C@H](Cc3ccccc3)C1)CCC2 ZINC001246408777 1037366451 /nfs/dbraw/zinc/36/64/51/1037366451.db2.gz DMSHGNMDDCOZNY-MQSCRBSSSA-N 1 3 378.516 3.804 20 0 GHADHO COc1cccc(C2([NH2+][C@H]3CCc4cc(F)c(F)c(F)c4C3)CCNCC2)c1 ZINC001246414800 1037369485 /nfs/dbraw/zinc/36/94/85/1037369485.db2.gz IQLBCVDBKFPMLF-INIZCTEOSA-N 1 3 390.449 3.838 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H](NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246430926 1037391696 /nfs/dbraw/zinc/39/16/96/1037391696.db2.gz VYLSPYVOZIXWKH-SJLPKXTDSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246430926 1037391716 /nfs/dbraw/zinc/39/17/16/1037391716.db2.gz VYLSPYVOZIXWKH-SJLPKXTDSA-N 1 3 398.469 3.692 20 0 GHADHO COc1cccc2c1C[C@H](N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)CO2 ZINC001246445845 1037408612 /nfs/dbraw/zinc/40/86/12/1037408612.db2.gz AGKKQMBCAGCWKN-UWJYYQICSA-N 1 3 384.495 3.858 20 0 GHADHO C[C@@H]1C[C@H](NC2(Cc3cccc(F)c3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246457383 1037415755 /nfs/dbraw/zinc/41/57/55/1037415755.db2.gz KCGWKBYHZSFQEY-XXBNENTESA-N 1 3 381.539 3.743 20 0 GHADHO Brc1ccc2c(c1)C[C@@H]([NH2+]C1(Cc3ccccc3)CCNCC1)C2 ZINC001246467823 1037421120 /nfs/dbraw/zinc/42/11/20/1037421120.db2.gz UZRTYJRRJLJLIA-FQEVSTJZSA-N 1 3 385.349 3.871 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246469905 1037423058 /nfs/dbraw/zinc/42/30/58/1037423058.db2.gz XCWXCBBMINQGMP-HXUWFJFHSA-N 1 3 384.495 3.830 20 0 GHADHO COc1cc(NC(=O)C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)cc2ccccc21 ZINC001246487277 1037433391 /nfs/dbraw/zinc/43/33/91/1037433391.db2.gz KVYRGGOSMKETSR-KNQAVFIVSA-N 1 3 389.499 3.870 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2C2Cc3ccccc3C2)cc1 ZINC001246617856 1037508976 /nfs/dbraw/zinc/50/89/76/1037508976.db2.gz HFGOFEXBRYAOTJ-QHCPKHFHSA-N 1 3 376.544 3.957 20 0 GHADHO c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2C2Cc3ccccc3C2)cc1 ZINC001246617856 1037508983 /nfs/dbraw/zinc/50/89/83/1037508983.db2.gz HFGOFEXBRYAOTJ-QHCPKHFHSA-N 1 3 376.544 3.957 20 0 GHADHO CCOC(=O)C1(C)CCC([N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246684653 1037549131 /nfs/dbraw/zinc/54/91/31/1037549131.db2.gz MTQGPVJCWQJURY-UEGSCFCSSA-N 1 3 384.564 3.752 20 0 GHADHO CCOC(=O)C1(C)CCC([N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246684653 1037549147 /nfs/dbraw/zinc/54/91/47/1037549147.db2.gz MTQGPVJCWQJURY-UEGSCFCSSA-N 1 3 384.564 3.752 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CCN1 ZINC001246729142 1037577571 /nfs/dbraw/zinc/57/75/71/1037577571.db2.gz NNGXEJVJFHBIHD-AKFKNWHVSA-N 1 3 383.580 3.730 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CCN1 ZINC001246729142 1037577581 /nfs/dbraw/zinc/57/75/81/1037577581.db2.gz NNGXEJVJFHBIHD-AKFKNWHVSA-N 1 3 383.580 3.730 20 0 GHADHO Brc1cccc([C@H]2CN([C@@H]3CC[NH2+]C4(CCCCC4)C3)CCN2)c1 ZINC001246805534 1037640420 /nfs/dbraw/zinc/64/04/20/1037640420.db2.gz JRSKPNLZZLJWPC-RTBURBONSA-N 1 3 392.385 3.850 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246822463 1037655177 /nfs/dbraw/zinc/65/51/77/1037655177.db2.gz BAPZZWSSIHDUFN-WIYBCGNWSA-N 1 3 384.564 3.792 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246822463 1037655183 /nfs/dbraw/zinc/65/51/83/1037655183.db2.gz BAPZZWSSIHDUFN-WIYBCGNWSA-N 1 3 384.564 3.792 20 0 GHADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN([C@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C1)C2 ZINC001246882142 1037697389 /nfs/dbraw/zinc/69/73/89/1037697389.db2.gz WVRSKXGGFMXIKY-UVSNUMOOSA-N 1 3 384.564 3.891 20 0 GHADHO CC[C@H]1CN(Cc2ccccc2)CCN1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246913039 1037721489 /nfs/dbraw/zinc/72/14/89/1037721489.db2.gz JLXXTMBTQDLKPL-DSITVLBTSA-N 1 3 377.576 3.946 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC3(Cc4cc(Br)ccc4O3)CC2)C[C@H](C)[NH2+]1 ZINC001246920004 1037725531 /nfs/dbraw/zinc/72/55/31/1037725531.db2.gz CKOIDOMZOOXVNL-XOIINTDNSA-N 1 3 379.342 3.748 20 0 GHADHO CO[C@@H]1CCC[C@H]([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)C1 ZINC001246937364 1037741656 /nfs/dbraw/zinc/74/16/56/1037741656.db2.gz LNLSMGZBNXZODY-RBUKOAKNSA-N 1 3 381.358 3.961 20 0 GHADHO CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)C1 ZINC001246937364 1037741677 /nfs/dbraw/zinc/74/16/77/1037741677.db2.gz LNLSMGZBNXZODY-RBUKOAKNSA-N 1 3 381.358 3.961 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+](C[C@@H]3CCCNC3)C3CC3)CC[C@H]2C1 ZINC001246976999 1037803489 /nfs/dbraw/zinc/80/34/89/1037803489.db2.gz XIWBGTASYWJOEM-LTYHASHMSA-N 1 3 395.591 3.781 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+](C[C@@H]3CCCNC3)C3CC3)CC[C@H]2C1 ZINC001246976999 1037803504 /nfs/dbraw/zinc/80/35/04/1037803504.db2.gz XIWBGTASYWJOEM-LTYHASHMSA-N 1 3 395.591 3.781 20 0 GHADHO CCOc1ccnc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001232580280 1038350765 /nfs/dbraw/zinc/35/07/65/1038350765.db2.gz SQTWAJOTKARKKY-UHFFFAOYSA-N 1 3 380.536 3.752 20 0 GHADHO CCOc1ccnc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001232580280 1038350783 /nfs/dbraw/zinc/35/07/83/1038350783.db2.gz SQTWAJOTKARKKY-UHFFFAOYSA-N 1 3 380.536 3.752 20 0 GHADHO COC(=O)c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001232705759 1038505700 /nfs/dbraw/zinc/50/57/00/1038505700.db2.gz AUQHXFSQHAEDNN-LEWJYISDSA-N 1 3 396.506 3.956 20 0 GHADHO COC(=O)c1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001232705759 1038505716 /nfs/dbraw/zinc/50/57/16/1038505716.db2.gz AUQHXFSQHAEDNN-LEWJYISDSA-N 1 3 396.506 3.956 20 0 GHADHO Cc1ccc(Cl)c(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1F ZINC001252949530 1039293550 /nfs/dbraw/zinc/29/35/50/1039293550.db2.gz OCKDVXALCHCXBR-OAQYLSRUSA-N 1 3 376.903 3.557 20 0 GHADHO Cc1ccc(Cl)c(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1F ZINC001252949530 1039293562 /nfs/dbraw/zinc/29/35/62/1039293562.db2.gz OCKDVXALCHCXBR-OAQYLSRUSA-N 1 3 376.903 3.557 20 0 GHADHO OC1(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254035755 1039967867 /nfs/dbraw/zinc/96/78/67/1039967867.db2.gz BDGIVXUJYRNAFS-DEOSSOPVSA-N 1 3 378.560 3.968 20 0 GHADHO OC1(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254035755 1039967869 /nfs/dbraw/zinc/96/78/69/1039967869.db2.gz BDGIVXUJYRNAFS-DEOSSOPVSA-N 1 3 378.560 3.968 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296343 1040146747 /nfs/dbraw/zinc/14/67/47/1040146747.db2.gz QIXXMSJBKUCDDT-UYAOXDASSA-N 1 3 375.557 3.873 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296343 1040146753 /nfs/dbraw/zinc/14/67/53/1040146753.db2.gz QIXXMSJBKUCDDT-UYAOXDASSA-N 1 3 375.557 3.873 20 0 GHADHO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC001254343957 1040178160 /nfs/dbraw/zinc/17/81/60/1040178160.db2.gz JJPIPEKBJXTUNN-HSZRJFAPSA-N 1 3 398.595 3.701 20 0 GHADHO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC001254343957 1040178171 /nfs/dbraw/zinc/17/81/71/1040178171.db2.gz JJPIPEKBJXTUNN-HSZRJFAPSA-N 1 3 398.595 3.701 20 0 GHADHO COC(=O)C[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506572 1040286224 /nfs/dbraw/zinc/28/62/24/1040286224.db2.gz UKPJONDDYVXULL-FYYLOGMGSA-N 1 3 396.531 3.944 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001462459252 1070268431 /nfs/dbraw/zinc/26/84/31/1070268431.db2.gz SIWIGZRRFOODGW-QHCPKHFHSA-N 1 3 395.547 3.900 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001462459252 1070268444 /nfs/dbraw/zinc/26/84/44/1070268444.db2.gz SIWIGZRRFOODGW-QHCPKHFHSA-N 1 3 395.547 3.900 20 0 GHADHO CCC(CC)[NH+]1CCC(N[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254693222 1040451819 /nfs/dbraw/zinc/45/18/19/1040451819.db2.gz STAQKVGONPKSGU-QGZVFWFLSA-N 1 3 397.629 3.724 20 0 GHADHO COc1cc(Cl)c(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)c(OC)c1 ZINC001235092052 1040581487 /nfs/dbraw/zinc/58/14/87/1040581487.db2.gz CPEALEBAGDPZLI-UHFFFAOYSA-N 1 3 386.923 3.994 20 0 GHADHO C[NH+](C)CC[C@H](N[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccccc1 ZINC001254887340 1040640016 /nfs/dbraw/zinc/64/00/16/1040640016.db2.gz PRGPWVZBHOAHLF-WOZUAGRISA-N 1 3 387.568 3.915 20 0 GHADHO COC(=O)c1cc(Br)cc(CN2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235160564 1040653139 /nfs/dbraw/zinc/65/31/39/1040653139.db2.gz PQRJBYOGKWZIQJ-SFHVURJKSA-N 1 3 395.341 3.590 20 0 GHADHO Ic1csc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235158662 1040654285 /nfs/dbraw/zinc/65/42/85/1040654285.db2.gz LZHXJYIJFRRCCB-OAHLLOKOSA-N 1 3 390.334 3.707 20 0 GHADHO [NH3+]C1(Cc2ccccc2C(F)(F)F)CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254940112 1040680114 /nfs/dbraw/zinc/68/01/14/1040680114.db2.gz JVODBMXEOZFZNN-HOTGVXAUSA-N 1 3 380.454 3.799 20 0 GHADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255125953 1040816834 /nfs/dbraw/zinc/81/68/34/1040816834.db2.gz IHSBCPGEOXXMKJ-OWZKRDHZSA-N 1 3 385.552 3.829 20 0 GHADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255125953 1040816850 /nfs/dbraw/zinc/81/68/50/1040816850.db2.gz IHSBCPGEOXXMKJ-OWZKRDHZSA-N 1 3 385.552 3.829 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130545 1040826136 /nfs/dbraw/zinc/82/61/36/1040826136.db2.gz VRMBDCCKFFUJSN-RVFVQDDPSA-N 1 3 391.559 3.677 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130545 1040826159 /nfs/dbraw/zinc/82/61/59/1040826159.db2.gz VRMBDCCKFFUJSN-RVFVQDDPSA-N 1 3 391.559 3.677 20 0 GHADHO Cc1nccn1-c1ccccc1CN1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369374 1040870653 /nfs/dbraw/zinc/87/06/53/1040870653.db2.gz MGAYELBKDMWCJC-ZCYQVOJMSA-N 1 3 386.543 3.934 20 0 GHADHO Clc1cc(OCc2ccccc2)ccc1CN1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235379373 1040898488 /nfs/dbraw/zinc/89/84/88/1040898488.db2.gz OXFSBVHLVMIRPN-XKCSPQBFSA-N 1 3 398.934 3.872 20 0 GHADHO CCOc1cc(O)cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001235396610 1040911276 /nfs/dbraw/zinc/91/12/76/1040911276.db2.gz NPKFODBHYVMYFZ-UHFFFAOYSA-N 1 3 381.520 3.674 20 0 GHADHO CCOc1cc(O)cc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001235396610 1040911278 /nfs/dbraw/zinc/91/12/78/1040911278.db2.gz NPKFODBHYVMYFZ-UHFFFAOYSA-N 1 3 381.520 3.674 20 0 GHADHO Brc1ccc2oc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433196 1040934553 /nfs/dbraw/zinc/93/45/53/1040934553.db2.gz XUTGIRHEHRRPAC-KGLIPLIRSA-N 1 3 378.314 3.802 20 0 GHADHO Brc1ccc2oc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433198 1040935175 /nfs/dbraw/zinc/93/51/75/1040935175.db2.gz XUTGIRHEHRRPAC-UONOGXRCSA-N 1 3 378.314 3.802 20 0 GHADHO COc1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)ccc1OC1COC1 ZINC001255386181 1040974693 /nfs/dbraw/zinc/97/46/93/1040974693.db2.gz KWUNDJJJSDADFI-OAQYLSRUSA-N 1 3 396.531 3.617 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255384571 1040974765 /nfs/dbraw/zinc/97/47/65/1040974765.db2.gz ZEYKEYRYGOZYFC-HSZRJFAPSA-N 1 3 380.532 3.937 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255384571 1040974767 /nfs/dbraw/zinc/97/47/67/1040974767.db2.gz ZEYKEYRYGOZYFC-HSZRJFAPSA-N 1 3 380.532 3.937 20 0 GHADHO COC(=O)c1ccc2c(c1)CC[N@H+]([C@H]1CCCN(Cc3ccccc3)CC1)C2 ZINC001255397077 1040983592 /nfs/dbraw/zinc/98/35/92/1040983592.db2.gz DRPANVRNQNXGKJ-QHCPKHFHSA-N 1 3 378.516 3.886 20 0 GHADHO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@H]1CCCN(Cc3ccccc3)CC1)C2 ZINC001255397077 1040983593 /nfs/dbraw/zinc/98/35/93/1040983593.db2.gz DRPANVRNQNXGKJ-QHCPKHFHSA-N 1 3 378.516 3.886 20 0 GHADHO CN(CC[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255399624 1040985581 /nfs/dbraw/zinc/98/55/81/1040985581.db2.gz WMDQLMXPLUPKJI-HXUWFJFHSA-N 1 3 375.557 3.840 20 0 GHADHO CN(CC[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255399624 1040985586 /nfs/dbraw/zinc/98/55/86/1040985586.db2.gz WMDQLMXPLUPKJI-HXUWFJFHSA-N 1 3 375.557 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400576 1040986524 /nfs/dbraw/zinc/98/65/24/1040986524.db2.gz MGBYANCEOFSJDO-FKBYEOEOSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400576 1040986525 /nfs/dbraw/zinc/98/65/25/1040986525.db2.gz MGBYANCEOFSJDO-FKBYEOEOSA-N 1 3 399.579 3.982 20 0 GHADHO Cc1nccnc1O[C@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409696 1040996885 /nfs/dbraw/zinc/99/68/85/1040996885.db2.gz LDCKKNHDMBSDFY-VXKWHMMOSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1nccnc1O[C@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409696 1040996887 /nfs/dbraw/zinc/99/68/87/1040996887.db2.gz LDCKKNHDMBSDFY-VXKWHMMOSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235619537 1041042184 /nfs/dbraw/zinc/04/21/84/1041042184.db2.gz ZNWARCNEBDTKLX-KNQAVFIVSA-N 1 3 398.595 3.577 20 0 GHADHO c1cc(-c2ccc3c(C4CN(Cc5ccc6c(c5)CC[NH2+]C6)C4)ncn3c2)co1 ZINC001235657739 1041104532 /nfs/dbraw/zinc/10/45/32/1041104532.db2.gz QVMPFZNRFLGBEB-UHFFFAOYSA-N 1 3 384.483 3.839 20 0 GHADHO Clc1ccc2c(c1)nccc2N1CCN(Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001235675397 1041134656 /nfs/dbraw/zinc/13/46/56/1041134656.db2.gz XFHYXEWBXNGPSC-UHFFFAOYSA-N 1 3 378.907 3.814 20 0 GHADHO C[C@@H](CSc1ccc(F)cc1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001255728089 1041250891 /nfs/dbraw/zinc/25/08/91/1041250891.db2.gz MLWBFMLHHYSLIT-SFHVURJKSA-N 1 3 387.568 3.844 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255954642 1041435053 /nfs/dbraw/zinc/43/50/53/1041435053.db2.gz GSEOFHDCHSXQQK-SJORKVTESA-N 1 3 391.547 3.979 20 0 GHADHO COc1cc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1OC(F)F ZINC001235976030 1041482401 /nfs/dbraw/zinc/48/24/01/1041482401.db2.gz ZEXHXHZRTPSRSZ-UHFFFAOYSA-N 1 3 388.458 3.934 20 0 GHADHO CC1(C)[NH2+][C@@H](CCN2CCC3(COc4ccc(C(F)(F)F)cc43)CC2)CO1 ZINC001236005775 1041496534 /nfs/dbraw/zinc/49/65/34/1041496534.db2.gz PDFXDILWDYATKA-HNNXBMFYSA-N 1 3 384.442 3.546 20 0 GHADHO O=C(NC1CC[NH2+]CC1)c1cccc(-c2cccc(CN3CCCCC3)c2F)c1 ZINC001236016319 1041508731 /nfs/dbraw/zinc/50/87/31/1041508731.db2.gz FUNSBYZBPZOIIW-UHFFFAOYSA-N 1 3 395.522 3.960 20 0 GHADHO [NH3+]CC1CN([C@H]2CCCN(Cc3ccccc3Oc3ccc(Cl)cc3)C2)C1 ZINC001236081041 1041526286 /nfs/dbraw/zinc/52/62/86/1041526286.db2.gz WZVMFTCCSYXOEC-FQEVSTJZSA-N 1 3 385.939 3.987 20 0 GHADHO CCC[N@H+](Cc1ccc(Br)c2ccc(OC)nc12)C1CCNCC1 ZINC001236184710 1041603784 /nfs/dbraw/zinc/60/37/84/1041603784.db2.gz MHVKPDXLSQLOJC-UHFFFAOYSA-N 1 3 392.341 3.970 20 0 GHADHO CCC[N@@H+](Cc1ccc(Br)c2ccc(OC)nc12)C1CCNCC1 ZINC001236184710 1041603797 /nfs/dbraw/zinc/60/37/97/1041603797.db2.gz MHVKPDXLSQLOJC-UHFFFAOYSA-N 1 3 392.341 3.970 20 0 GHADHO CCCN(Cc1ccc(Br)c2ccc(OC)nc12)C1CC[NH2+]CC1 ZINC001236184710 1041603826 /nfs/dbraw/zinc/60/38/26/1041603826.db2.gz MHVKPDXLSQLOJC-UHFFFAOYSA-N 1 3 392.341 3.970 20 0 GHADHO C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001256177052 1041621603 /nfs/dbraw/zinc/62/16/03/1041621603.db2.gz BWNRYUYNEJQJAI-INIZCTEOSA-N 1 3 395.385 3.861 20 0 GHADHO O=C1N[C@@H](c2ccc(-c3ccc(CN4CCCCC4)c(F)c3)cc2)CC12C[NH2+]C2 ZINC001236248464 1041642267 /nfs/dbraw/zinc/64/22/67/1041642267.db2.gz HMTPUPTXYAUPAE-JOCHJYFZSA-N 1 3 393.506 3.629 20 0 GHADHO Brc1cc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC001236372863 1041686368 /nfs/dbraw/zinc/68/63/68/1041686368.db2.gz DXNGUPUNTXMNPI-CQSZACIVSA-N 1 3 395.341 3.922 20 0 GHADHO Brc1coc(CN2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001278928734 1041699881 /nfs/dbraw/zinc/69/98/81/1041699881.db2.gz KCFKATHFUZEASW-GASCZTMLSA-N 1 3 378.314 3.714 20 0 GHADHO Brc1coc(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001278928734 1041699887 /nfs/dbraw/zinc/69/98/87/1041699887.db2.gz KCFKATHFUZEASW-GASCZTMLSA-N 1 3 378.314 3.714 20 0 GHADHO C[C@H]1C[C@H](N2CCC([NH3+])(Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256462378 1041743608 /nfs/dbraw/zinc/74/36/08/1041743608.db2.gz LCWXBEFYBVGUDU-AZUAARDMSA-N 1 3 387.568 3.810 20 0 GHADHO COc1ccc(CN(Cc2cn3c(cccc3C)n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544543 1041757528 /nfs/dbraw/zinc/75/75/28/1041757528.db2.gz SQYVQPUBQPZYIK-XUTJKUGGSA-N 1 3 378.520 3.923 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462563790 1070368931 /nfs/dbraw/zinc/36/89/31/1070368931.db2.gz IYRICBWXXINVAS-CEWLAPEOSA-N 1 3 385.552 3.954 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462563790 1070368951 /nfs/dbraw/zinc/36/89/51/1070368951.db2.gz IYRICBWXXINVAS-CEWLAPEOSA-N 1 3 385.552 3.954 20 0 GHADHO Cc1cc(CN2CC[C@H](N3CCC([NH3+])CC3)C2)c(OCc2ccccc2)cc1C ZINC001236622921 1041788894 /nfs/dbraw/zinc/78/88/94/1041788894.db2.gz QSQYJZOAQDTXPS-DEOSSOPVSA-N 1 3 393.575 3.880 20 0 GHADHO CC(C)c1cc(Br)cc(CN2CC[C@H](N3CCC([NH3+])CC3)C2)c1 ZINC001236624316 1041789489 /nfs/dbraw/zinc/78/94/89/1041789489.db2.gz YDFXILHBQZLGOP-IBGZPJMESA-N 1 3 380.374 3.570 20 0 GHADHO FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001462566838 1070372114 /nfs/dbraw/zinc/37/21/14/1070372114.db2.gz PUUJGNDNJSENDX-NMLBUPMWSA-N 1 3 381.486 3.656 20 0 GHADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001462566838 1070372136 /nfs/dbraw/zinc/37/21/36/1070372136.db2.gz PUUJGNDNJSENDX-NMLBUPMWSA-N 1 3 381.486 3.656 20 0 GHADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462566838 1070372156 /nfs/dbraw/zinc/37/21/56/1070372156.db2.gz PUUJGNDNJSENDX-NMLBUPMWSA-N 1 3 381.486 3.656 20 0 GHADHO FC(F)(F)CN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001462566830 1070372482 /nfs/dbraw/zinc/37/24/82/1070372482.db2.gz PUUJGNDNJSENDX-MUGJNUQGSA-N 1 3 381.486 3.656 20 0 GHADHO FC(F)(F)CN1CCC[C@H]1CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001462566830 1070372498 /nfs/dbraw/zinc/37/24/98/1070372498.db2.gz PUUJGNDNJSENDX-MUGJNUQGSA-N 1 3 381.486 3.656 20 0 GHADHO FC(F)(F)CN1CCC[C@H]1CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462566830 1070372503 /nfs/dbraw/zinc/37/25/03/1070372503.db2.gz PUUJGNDNJSENDX-MUGJNUQGSA-N 1 3 381.486 3.656 20 0 GHADHO Fc1ccc(C2CCN(Cc3cccc(CN4CC[NH2+]CC4)c3)CC2)c(F)c1 ZINC001237205863 1042091187 /nfs/dbraw/zinc/09/11/87/1042091187.db2.gz YNPXISCIQUDNOO-UHFFFAOYSA-N 1 3 385.502 3.750 20 0 GHADHO CC[NH+](CC)Cc1cncc(-c2ccc(C3(N4CCN(C)CC4)CC3)cc2)c1 ZINC001240587744 1042943532 /nfs/dbraw/zinc/94/35/32/1042943532.db2.gz BKIGRZNUIRHWIY-UHFFFAOYSA-N 1 3 378.564 3.827 20 0 GHADHO CNC(=O)C[C@H]1CC2(CCN(C3CC[NH+](C(C)(C)C)CC3)CC2)c2ccccc21 ZINC001256571851 1043543906 /nfs/dbraw/zinc/54/39/06/1043543906.db2.gz MBWSCPOPHMCQEN-IBGZPJMESA-N 1 3 397.607 3.907 20 0 GHADHO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](C1CCN(C(C)(C)C)CC1)CC2 ZINC001256572673 1043546710 /nfs/dbraw/zinc/54/67/10/1043546710.db2.gz VJJROOOZHKYDMB-NRFANRHFSA-N 1 3 383.580 3.730 20 0 GHADHO c1ccc(CN2CCC([NH2+]CC3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC001256600622 1043564298 /nfs/dbraw/zinc/56/42/98/1043564298.db2.gz IBBWCGJWQRPDLQ-UHFFFAOYSA-N 1 3 378.564 3.548 20 0 GHADHO Brc1ccc2c(c1)CC[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256683798 1043619526 /nfs/dbraw/zinc/61/95/26/1043619526.db2.gz HTPYNZZCMSTWRK-IOJLRTSASA-N 1 3 393.369 3.539 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808118 1043664275 /nfs/dbraw/zinc/66/42/75/1043664275.db2.gz DSMDISNRPOJEQJ-UARRHKHWSA-N 1 3 384.564 3.587 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808118 1043664280 /nfs/dbraw/zinc/66/42/80/1043664280.db2.gz DSMDISNRPOJEQJ-UARRHKHWSA-N 1 3 384.564 3.587 20 0 GHADHO C[C@@H](Cc1ccc(Br)cc1)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001257558500 1044042666 /nfs/dbraw/zinc/04/26/66/1044042666.db2.gz GJQNETWNZKJBNX-INIZCTEOSA-N 1 3 388.353 3.811 20 0 GHADHO CC[NH+](CC)CCCN1CCN([C@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257563229 1044047835 /nfs/dbraw/zinc/04/78/35/1044047835.db2.gz DKMVVCNRAFGODY-GOSISDBHSA-N 1 3 396.417 3.730 20 0 GHADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257977534 1044301921 /nfs/dbraw/zinc/30/19/21/1044301921.db2.gz SXPWYZGBIJIHLB-RLLQIKCJSA-N 1 3 375.557 3.524 20 0 GHADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257977534 1044301934 /nfs/dbraw/zinc/30/19/34/1044301934.db2.gz SXPWYZGBIJIHLB-RLLQIKCJSA-N 1 3 375.557 3.524 20 0 GHADHO CNC(=O)C[C@H]1CC2(CCN(C3CC[NH+](CC(C)C)CC3)CC2)c2ccccc21 ZINC001258014976 1044342963 /nfs/dbraw/zinc/34/29/63/1044342963.db2.gz VPQRNFWZRDQMQS-FQEVSTJZSA-N 1 3 397.607 3.764 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401552 1044540219 /nfs/dbraw/zinc/54/02/19/1044540219.db2.gz NESAXUBNTQICRO-BPUDTRNYSA-N 1 3 386.580 3.697 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401552 1044540238 /nfs/dbraw/zinc/54/02/38/1044540238.db2.gz NESAXUBNTQICRO-BPUDTRNYSA-N 1 3 386.580 3.697 20 0 GHADHO CCCC1CCC([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC1 ZINC001258527576 1044608261 /nfs/dbraw/zinc/60/82/61/1044608261.db2.gz IYQRYHDJHAKMPY-VTLFHKLASA-N 1 3 385.596 3.750 20 0 GHADHO Clc1ccccc1N1CCC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CC1 ZINC001258539754 1044615545 /nfs/dbraw/zinc/61/55/45/1044615545.db2.gz LGPJKYJQVCFHSV-UAPYVXQJSA-N 1 3 377.960 3.542 20 0 GHADHO C[C@@H](Cc1ccc(Cl)cc1Cl)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001258684681 1044712168 /nfs/dbraw/zinc/71/21/68/1044712168.db2.gz XQIUAXBMMWDPGR-INIZCTEOSA-N 1 3 384.395 3.884 20 0 GHADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC(C)(C)C1 ZINC001258688022 1044713495 /nfs/dbraw/zinc/71/34/95/1044713495.db2.gz XFIKXGSTOGYWNZ-GIVPXCGWSA-N 1 3 385.596 3.606 20 0 GHADHO CCC[NH+]1CCC(N[C@H](CO)Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001258770294 1044756600 /nfs/dbraw/zinc/75/66/00/1044756600.db2.gz HQXPMBVRNORQCH-QHCPKHFHSA-N 1 3 382.548 3.633 20 0 GHADHO CCCN1CCC([NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)CC1 ZINC001258772894 1044756799 /nfs/dbraw/zinc/75/67/99/1044756799.db2.gz BGZOTXCWMDDQSK-UHFFFAOYSA-N 1 3 389.609 3.941 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000390775290 1047512707 /nfs/dbraw/zinc/51/27/07/1047512707.db2.gz OBVRKWXJZCKVKJ-BAGYTPMASA-N 1 3 399.579 3.886 20 0 GHADHO COc1c(Cl)cccc1CN1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279197661 1047740402 /nfs/dbraw/zinc/74/04/02/1047740402.db2.gz BNCKUNWEQAORKV-OAQYLSRUSA-N 1 3 379.976 3.588 20 0 GHADHO Brc1cnccc1CN1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279405733 1047796016 /nfs/dbraw/zinc/79/60/16/1047796016.db2.gz OPIBBUPYWOFJEH-UHFFFAOYSA-N 1 3 389.341 3.660 20 0 GHADHO Brc1cnccc1CN1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279405733 1047796018 /nfs/dbraw/zinc/79/60/18/1047796018.db2.gz OPIBBUPYWOFJEH-UHFFFAOYSA-N 1 3 389.341 3.660 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855317 1049637084 /nfs/dbraw/zinc/63/70/84/1049637084.db2.gz RLSZDIPEAQHGIH-YADHBBJMSA-N 1 3 379.548 3.674 20 0 GHADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855317 1049637089 /nfs/dbraw/zinc/63/70/89/1049637089.db2.gz RLSZDIPEAQHGIH-YADHBBJMSA-N 1 3 379.548 3.674 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNCc3ccccc3-n3cncn3)cc2)CC1 ZINC001308190185 1049906449 /nfs/dbraw/zinc/90/64/49/1049906449.db2.gz WLCQQTJYMYHVJW-UHFFFAOYSA-N 1 3 375.520 3.789 20 0 GHADHO c1ncn(-c2ccccc2CNCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC001308229593 1049920436 /nfs/dbraw/zinc/92/04/36/1049920436.db2.gz IZEKERWXHSNQKB-UHFFFAOYSA-N 1 3 375.520 3.933 20 0 GHADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC001308293435 1049939986 /nfs/dbraw/zinc/93/99/86/1049939986.db2.gz UDCQEXTYZUMCEC-OALUTQOASA-N 1 3 394.401 3.876 20 0 GHADHO CC(C)(C)[C@@]1(CN2CCC(N3CCOC3=O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001308876772 1050134651 /nfs/dbraw/zinc/13/46/51/1050134651.db2.gz GYBGIGMQTFVCGY-XMMPIXPASA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)[C@@]1(CN2CCC(N3CCOC3=O)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001308876772 1050134656 /nfs/dbraw/zinc/13/46/56/1050134656.db2.gz GYBGIGMQTFVCGY-XMMPIXPASA-N 1 3 399.579 3.841 20 0 GHADHO CC(C)(C)[C@@]1(C[NH+]2CCC(N3CCOC3=O)CC2)CCN(Cc2ccccc2)C1 ZINC001308876772 1050134659 /nfs/dbraw/zinc/13/46/59/1050134659.db2.gz GYBGIGMQTFVCGY-XMMPIXPASA-N 1 3 399.579 3.841 20 0 GHADHO FC(F)Oc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC001328411815 1050500837 /nfs/dbraw/zinc/50/08/37/1050500837.db2.gz ATMFDUMAWBDDEX-CHWSQXEVSA-N 1 3 376.394 3.711 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCc3ccccc3)C(C)C)CC2)CC1 ZINC001329883655 1050917159 /nfs/dbraw/zinc/91/71/59/1050917159.db2.gz GIZUHPIFLSIKLL-UHFFFAOYSA-N 1 3 385.596 3.662 20 0 GHADHO CCc1ccc([C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)N(C)C)cc1 ZINC001311572393 1052255659 /nfs/dbraw/zinc/25/56/59/1052255659.db2.gz RZPULRMMNSUSQQ-PKTZIBPZSA-N 1 3 396.579 3.762 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC001311715308 1052351792 /nfs/dbraw/zinc/35/17/92/1052351792.db2.gz VLXVMAWVFBUOLN-IFMALSPDSA-N 1 3 386.584 3.729 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC([C@H]3c4ccccc4NC3=O)CC2)cc1 ZINC001319701727 1055408761 /nfs/dbraw/zinc/40/87/61/1055408761.db2.gz JQTOMSQRHAEUED-QHCPKHFHSA-N 1 3 393.531 3.575 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)c2)CC1 ZINC001321370063 1056237520 /nfs/dbraw/zinc/23/75/20/1056237520.db2.gz JRVKMVWIQOIRFZ-ISKFKSNPSA-N 1 3 378.564 3.645 20 0 GHADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001300624413 1056706109 /nfs/dbraw/zinc/70/61/09/1056706109.db2.gz NFZWFWCRAVLRBP-HDICACEKSA-N 1 3 379.976 3.883 20 0 GHADHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001325579467 1057342936 /nfs/dbraw/zinc/34/29/36/1057342936.db2.gz JRQRIGPNDIEJBN-DXIQSLLYSA-N 1 3 392.632 3.553 20 0 GHADHO [NH2+]=C(NCCCSc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849057206 1057569824 /nfs/dbraw/zinc/56/98/24/1057569824.db2.gz CWPXGKUYDYVOIP-UHFFFAOYSA-N 1 3 382.577 3.947 20 0 GHADHO [NH2+]=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)N1CCCCC1 ZINC000849058698 1057570063 /nfs/dbraw/zinc/57/00/63/1057570063.db2.gz LIUCMGUYEUTFHO-UHFFFAOYSA-N 1 3 391.563 3.519 20 0 GHADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)cc1C(F)(F)F ZINC000849073852 1057582105 /nfs/dbraw/zinc/58/21/05/1057582105.db2.gz JCCJBVSLFOGOOR-HNNXBMFYSA-N 1 3 386.462 3.591 20 0 GHADHO C[C@@H](NC(=O)CN1CCCC2(CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC001349390720 1063693831 /nfs/dbraw/zinc/69/38/31/1063693831.db2.gz ZJZSXAQMUSGFSB-CQSZACIVSA-N 1 3 384.351 3.636 20 0 GHADHO CC[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001467674796 1067411929 /nfs/dbraw/zinc/41/19/29/1067411929.db2.gz BBWRIZQGHPNTLT-FYYLOGMGSA-N 1 3 398.595 3.530 20 0 GHADHO CC[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001467674796 1067411936 /nfs/dbraw/zinc/41/19/36/1067411936.db2.gz BBWRIZQGHPNTLT-FYYLOGMGSA-N 1 3 398.595 3.530 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001468115423 1067600667 /nfs/dbraw/zinc/60/06/67/1067600667.db2.gz VVEDDPCGLOFFRX-IFMALSPDSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001468115423 1067600669 /nfs/dbraw/zinc/60/06/69/1067600669.db2.gz VVEDDPCGLOFFRX-IFMALSPDSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC001468177187 1067621728 /nfs/dbraw/zinc/62/17/28/1067621728.db2.gz VRVDMWORWVXHGS-ACIOBRDBSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC001468265855 1067659179 /nfs/dbraw/zinc/65/91/79/1067659179.db2.gz HIEGPIOYACBQFV-JTJHWIPRSA-N 1 3 388.600 3.734 20 0 GHADHO C[C@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC001468265855 1067659180 /nfs/dbraw/zinc/65/91/80/1067659180.db2.gz HIEGPIOYACBQFV-JTJHWIPRSA-N 1 3 388.600 3.734 20 0 GHADHO C[C@@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCN1Cc1ccccc1 ZINC000849098378 1067726605 /nfs/dbraw/zinc/72/66/05/1067726605.db2.gz ZBNIIZHJNCHHHJ-QHCPKHFHSA-N 1 3 394.519 3.839 20 0 GHADHO CC(C)(C)OC1CC(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849103170 1067729823 /nfs/dbraw/zinc/72/98/23/1067729823.db2.gz KYODRCSLCCPPKC-UHFFFAOYSA-N 1 3 386.584 3.749 20 0 GHADHO CCO[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000849109011 1067731871 /nfs/dbraw/zinc/73/18/71/1067731871.db2.gz LZIKKPKMXRHPAC-QFIPXVFZSA-N 1 3 380.536 3.543 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC001470653957 1072672586 /nfs/dbraw/zinc/67/25/86/1072672586.db2.gz PLPCABNANFOMJO-QZNJRLLKSA-N 1 3 390.616 3.545 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC001470653957 1072672594 /nfs/dbraw/zinc/67/25/94/1072672594.db2.gz PLPCABNANFOMJO-QZNJRLLKSA-N 1 3 390.616 3.545 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001470782414 1072737746 /nfs/dbraw/zinc/73/77/46/1072737746.db2.gz CARKGPSTYVFUAM-OAQYLSRUSA-N 1 3 398.595 3.656 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC001478772724 1078983369 /nfs/dbraw/zinc/98/33/69/1078983369.db2.gz YGHNZQRLYMFDHE-LEWJYISDSA-N 1 3 388.600 3.660 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC001478772724 1078983372 /nfs/dbraw/zinc/98/33/72/1078983372.db2.gz YGHNZQRLYMFDHE-LEWJYISDSA-N 1 3 388.600 3.660 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCCC1CCCCC1 ZINC001473358513 1073934773 /nfs/dbraw/zinc/93/47/73/1073934773.db2.gz YDZJSUPXXWQODD-PMACEKPBSA-N 1 3 385.596 3.819 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCCC1CCCCC1 ZINC001473358514 1073934826 /nfs/dbraw/zinc/93/48/26/1073934826.db2.gz YDZJSUPXXWQODD-WOJBJXKFSA-N 1 3 385.596 3.819 20 0 GHADHO FC(F)(F)[C@H]1CCC[C@H](C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807501 1074153634 /nfs/dbraw/zinc/15/36/34/1074153634.db2.gz PCYXBIQCRZRKKO-IYWMVGAKSA-N 1 3 382.470 3.940 20 0 GHADHO FC(F)(F)[C@H]1CCC[C@H](C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807501 1074153637 /nfs/dbraw/zinc/15/36/37/1074153637.db2.gz PCYXBIQCRZRKKO-IYWMVGAKSA-N 1 3 382.470 3.940 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001474067594 1074252489 /nfs/dbraw/zinc/25/24/89/1074252489.db2.gz AOKIKGMLUNKUTG-IAGOWNOFSA-N 1 3 376.850 3.826 20 0 GHADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1 ZINC001164725724 720471874 /nfs/dbraw/zinc/47/18/74/720471874.db2.gz JXNVAOXEQFIIKF-VJBWXMMDSA-N 1 3 391.563 3.877 20 0 GHADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1 ZINC001164725724 720471879 /nfs/dbraw/zinc/47/18/79/720471879.db2.gz JXNVAOXEQFIIKF-VJBWXMMDSA-N 1 3 391.563 3.877 20 0 GHADHO Cc1cccc(N(c2ccc(CN3CCCC3)cn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777693 721329356 /nfs/dbraw/zinc/32/93/56/721329356.db2.gz PGHUAICSHDQEOU-UPVQGACJSA-N 1 3 392.547 3.645 20 0 GHADHO CC[NH+]1CCC(N(C)C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000531143142 837441392 /nfs/dbraw/zinc/44/13/92/837441392.db2.gz GUCFJUKDLXWBLU-LOSJGSFVSA-N 1 3 396.575 3.878 20 0 GHADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176572528 837445257 /nfs/dbraw/zinc/44/52/57/837445257.db2.gz RCVZEQJTTAGAGD-UHFFFAOYSA-N 1 3 392.613 3.618 20 0 GHADHO CCN(CC)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655684321 837667006 /nfs/dbraw/zinc/66/70/06/837667006.db2.gz OAAVVVXGFPAUHB-DENIHFKCSA-N 1 3 394.003 3.956 20 0 GHADHO CC1CCN([C@@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c2ccccc2)CC1 ZINC000655697031 837687960 /nfs/dbraw/zinc/68/79/60/837687960.db2.gz GXLKAECTRQYHOE-ZEQRLZLVSA-N 1 3 385.596 3.693 20 0 GHADHO C[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc2n(n1)CCCC2 ZINC000647295896 834493056 /nfs/dbraw/zinc/49/30/56/834493056.db2.gz YHKHPVTUMKIMTB-LJQANCHMSA-N 1 3 382.552 3.587 20 0 GHADHO Cc1cc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)sc1Br ZINC000375755989 834631348 /nfs/dbraw/zinc/63/13/48/834631348.db2.gz HLVGGBOUUAWZFU-KBPBESRZSA-N 1 3 387.387 3.971 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)(N2CCCCC2)CC1 ZINC000172749843 834642502 /nfs/dbraw/zinc/64/25/02/834642502.db2.gz VKQVZKUIANUNKE-VQTJNVASSA-N 1 3 389.971 3.510 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)[C@H]3c3cccs3)CC2)CC1 ZINC000583702890 834897448 /nfs/dbraw/zinc/89/74/48/834897448.db2.gz HVAPZWVLYXXADW-HXUWFJFHSA-N 1 3 389.609 3.854 20 0 GHADHO Cc1ccc(-c2ncc(CN(C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)s2)cc1 ZINC000685457402 835023235 /nfs/dbraw/zinc/02/32/35/835023235.db2.gz BLWBIICNGMWETC-HXUWFJFHSA-N 1 3 384.593 3.719 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4cccc(C)c4)CCC3)CC2)CC1 ZINC000655158307 835319204 /nfs/dbraw/zinc/31/92/04/835319204.db2.gz MNLIZRVFKQITPL-UHFFFAOYSA-N 1 3 383.580 3.687 20 0 GHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)c(Cl)c1 ZINC000658002795 835368439 /nfs/dbraw/zinc/36/84/39/835368439.db2.gz NSUCJGAMLOPRDI-ZDUSSCGKSA-N 1 3 388.781 3.779 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(C(F)F)nc1 ZINC000658034077 835386978 /nfs/dbraw/zinc/38/69/78/835386978.db2.gz GFDSHQTYRVLRJJ-INIZCTEOSA-N 1 3 375.463 3.697 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139198 835466722 /nfs/dbraw/zinc/46/67/22/835466722.db2.gz PJPAVJLWAMDAJT-CXAGYDPISA-N 1 3 395.366 3.928 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139198 835466725 /nfs/dbraw/zinc/46/67/25/835466725.db2.gz PJPAVJLWAMDAJT-CXAGYDPISA-N 1 3 395.366 3.928 20 0 GHADHO CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000658296130 835559749 /nfs/dbraw/zinc/55/97/49/835559749.db2.gz GNULUIXNSBNECL-FNAHDJPLSA-N 1 3 383.580 3.524 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3CC3CCCC3)CC2)CC1 ZINC000655363694 835647603 /nfs/dbraw/zinc/64/76/03/835647603.db2.gz QVLWZYFGBSTNIE-JOCHJYFZSA-N 1 3 375.601 3.754 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc4c(c3)CCO4)cc2)CC1 ZINC000178132656 836369680 /nfs/dbraw/zinc/36/96/80/836369680.db2.gz NTGAQLPBIIVWJH-LJQANCHMSA-N 1 3 379.548 3.610 20 0 GHADHO CC1CC[NH+](CCCCN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC1 ZINC000511397872 836986441 /nfs/dbraw/zinc/98/64/41/836986441.db2.gz MTHCPAJZKBGKDZ-FGZHOGPDSA-N 1 3 394.003 3.813 20 0 GHADHO CCc1nc2c(s1)[C@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCC2 ZINC000414305506 837000406 /nfs/dbraw/zinc/00/04/06/837000406.db2.gz NKTWRMLOVZEUFD-GOSISDBHSA-N 1 3 385.577 3.700 20 0 GHADHO Cc1cc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)ccc1Cl ZINC000180916912 844242075 /nfs/dbraw/zinc/24/20/75/844242075.db2.gz HPWZITRMSUBJOE-HXUWFJFHSA-N 1 3 385.939 3.636 20 0 GHADHO Cc1cc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)ccc1Cl ZINC000180916912 844242086 /nfs/dbraw/zinc/24/20/86/844242086.db2.gz HPWZITRMSUBJOE-HXUWFJFHSA-N 1 3 385.939 3.636 20 0 GHADHO Cc1nn(C)c2ncc(CNCc3ccc(C[N@H+]4CCCC[C@@H]4C)cc3)cc12 ZINC000237529557 837266276 /nfs/dbraw/zinc/26/62/76/837266276.db2.gz NQZHDWPERPXFNJ-KRWDZBQOSA-N 1 3 377.536 3.941 20 0 GHADHO Cc1nn(C)c2ncc(CNCc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)cc12 ZINC000237529557 837266284 /nfs/dbraw/zinc/26/62/84/837266284.db2.gz NQZHDWPERPXFNJ-KRWDZBQOSA-N 1 3 377.536 3.941 20 0 GHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000565242570 837835989 /nfs/dbraw/zinc/83/59/89/837835989.db2.gz PDCWDANAPWOVFN-ROUUACIJSA-N 1 3 393.325 3.663 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659284660 838208507 /nfs/dbraw/zinc/20/85/07/838208507.db2.gz LZZWPDDLHWKCLI-NOZRDPDXSA-N 1 3 389.543 3.736 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659284660 838208517 /nfs/dbraw/zinc/20/85/17/838208517.db2.gz LZZWPDDLHWKCLI-NOZRDPDXSA-N 1 3 389.543 3.736 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000659285320 838210219 /nfs/dbraw/zinc/21/02/19/838210219.db2.gz TXPCAVXLQRQIRC-ZYJGPIPZSA-N 1 3 375.516 3.533 20 0 GHADHO O=C(C[C@H]1NCc2ccccc21)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000659285320 838210231 /nfs/dbraw/zinc/21/02/31/838210231.db2.gz TXPCAVXLQRQIRC-ZYJGPIPZSA-N 1 3 375.516 3.533 20 0 GHADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415968281 838334133 /nfs/dbraw/zinc/33/41/33/838334133.db2.gz FBSGUMZORDBDED-UHFFFAOYSA-N 1 3 396.535 3.545 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)N(C)C)cc1 ZINC000065467002 838926186 /nfs/dbraw/zinc/92/61/86/838926186.db2.gz KZMWQHPQALYSKA-QHCPKHFHSA-N 1 3 394.563 3.693 20 0 GHADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000312145178 838931272 /nfs/dbraw/zinc/93/12/72/838931272.db2.gz DMALZDOWDTUVLI-WTGUMLROSA-N 1 3 379.589 3.876 20 0 GHADHO C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC000614385825 844393837 /nfs/dbraw/zinc/39/38/37/844393837.db2.gz KDXKELASCMMFFE-HDICACEKSA-N 1 3 376.504 3.529 20 0 GHADHO COC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000580223418 839077018 /nfs/dbraw/zinc/07/70/18/839077018.db2.gz KUPPGXOSPXDUMG-XZOQPEGZSA-N 1 3 386.580 3.710 20 0 GHADHO Cc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)c(F)c1 ZINC000549166049 839125777 /nfs/dbraw/zinc/12/57/77/839125777.db2.gz NIBAIUZPGQUDFR-NRFANRHFSA-N 1 3 383.511 3.963 20 0 GHADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000415101034 839204863 /nfs/dbraw/zinc/20/48/63/839204863.db2.gz BLHPOXBEPFGEFB-FPOVZHCZSA-N 1 3 377.960 3.659 20 0 GHADHO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972310 839907285 /nfs/dbraw/zinc/90/72/85/839907285.db2.gz RWCAVNOGTFMRFA-QGZVFWFLSA-N 1 3 387.351 3.541 20 0 GHADHO [NH3+]CCC[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000416838400 840207336 /nfs/dbraw/zinc/20/73/36/840207336.db2.gz JCQZKYQWAZVQEV-RBUKOAKNSA-N 1 3 386.565 3.664 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000418480364 840296733 /nfs/dbraw/zinc/29/67/33/840296733.db2.gz CGHLEHNXHIHNTO-XMSQKQJNSA-N 1 3 380.536 3.512 20 0 GHADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000584689659 840564624 /nfs/dbraw/zinc/56/46/24/840564624.db2.gz YAKQNKRECVULEP-GOSISDBHSA-N 1 3 392.613 3.520 20 0 GHADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000584689659 840564633 /nfs/dbraw/zinc/56/46/33/840564633.db2.gz YAKQNKRECVULEP-GOSISDBHSA-N 1 3 392.613 3.520 20 0 GHADHO CC(C)[C@](C)(CN)[NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000430579718 841230090 /nfs/dbraw/zinc/23/00/90/841230090.db2.gz CSLQEACBGSZQDI-AWEZNQCLSA-N 1 3 385.352 3.626 20 0 GHADHO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(-c2ccccc2)cn1 ZINC000651679030 841316186 /nfs/dbraw/zinc/31/61/86/841316186.db2.gz MNENCWJSPLDMSQ-IBGZPJMESA-N 1 3 387.531 3.746 20 0 GHADHO C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(-c2ccccc2)cn1 ZINC000651679030 841316191 /nfs/dbraw/zinc/31/61/91/841316191.db2.gz MNENCWJSPLDMSQ-IBGZPJMESA-N 1 3 387.531 3.746 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)Cc3ccccc3C)CC2)CC1 ZINC000581676492 841993890 /nfs/dbraw/zinc/99/38/90/841993890.db2.gz ZEJWPBFUDPKTLF-FQEVSTJZSA-N 1 3 385.596 3.581 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(-c2ccccc2)o1 ZINC000177827903 861273440 /nfs/dbraw/zinc/27/34/40/861273440.db2.gz UZJWTKMMZDECPE-GOSISDBHSA-N 1 3 376.504 3.944 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCC(c2cccc(S(C)(=O)=O)c2)CC1 ZINC001167836174 842324760 /nfs/dbraw/zinc/32/47/60/842324760.db2.gz WVHZOWDWALRUFJ-SFHVURJKSA-N 1 3 380.598 3.780 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471768031 842425112 /nfs/dbraw/zinc/42/51/12/842425112.db2.gz IHDIJPSNWVABMH-PKTZIBPZSA-N 1 3 379.548 3.561 20 0 GHADHO COc1cccc(C(=O)N2CCC(N[C@@H](CC[NH+](C)C)c3ccccc3)CC2)c1 ZINC001167846398 842539240 /nfs/dbraw/zinc/53/92/40/842539240.db2.gz DHIMQMURUSZYRD-QHCPKHFHSA-N 1 3 395.547 3.582 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512178920 842773544 /nfs/dbraw/zinc/77/35/44/842773544.db2.gz KCTRUWDDZIUKPQ-KDURUIRLSA-N 1 3 396.579 3.810 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512178920 842773546 /nfs/dbraw/zinc/77/35/46/842773546.db2.gz KCTRUWDDZIUKPQ-KDURUIRLSA-N 1 3 396.579 3.810 20 0 GHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512182987 842808010 /nfs/dbraw/zinc/80/80/10/842808010.db2.gz SYKQICSJZBUZBW-IAGOWNOFSA-N 1 3 376.589 3.576 20 0 GHADHO CCN(CC)[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccsc1 ZINC000430756521 842939659 /nfs/dbraw/zinc/93/96/59/842939659.db2.gz UBBKAPLSZPSIQI-OAQYLSRUSA-N 1 3 398.576 3.865 20 0 GHADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc21 ZINC000662348089 843155187 /nfs/dbraw/zinc/15/51/87/843155187.db2.gz NPLQSVFTNTXUAG-ICSRJNTNSA-N 1 3 383.561 3.694 20 0 GHADHO CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccsc1 ZINC000662383872 843182149 /nfs/dbraw/zinc/18/21/49/843182149.db2.gz HPSLHQLVBCLCQM-WIYYLYMNSA-N 1 3 385.577 3.940 20 0 GHADHO C[C@H]([NH2+]C1(CNC(=O)c2cc3c(s2)CCNC3)CCCC1)c1ccccc1 ZINC000662452511 843269113 /nfs/dbraw/zinc/26/91/13/843269113.db2.gz VKVIQPFACYDGTI-INIZCTEOSA-N 1 3 383.561 3.787 20 0 GHADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cc2c(s1)CCNC2 ZINC000662459736 843291481 /nfs/dbraw/zinc/29/14/81/843291481.db2.gz BCESUJKLMAGGJY-UHFFFAOYSA-N 1 3 383.561 3.700 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193631 843649129 /nfs/dbraw/zinc/64/91/29/843649129.db2.gz DWAPHFRDPWOVBS-RBBKRZOGSA-N 1 3 386.584 3.633 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193631 843649138 /nfs/dbraw/zinc/64/91/38/843649138.db2.gz DWAPHFRDPWOVBS-RBBKRZOGSA-N 1 3 386.584 3.633 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000512659712 844937562 /nfs/dbraw/zinc/93/75/62/844937562.db2.gz JJULIEKXULGYGE-ZRBLBEILSA-N 1 3 376.548 3.787 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182471621 844991071 /nfs/dbraw/zinc/99/10/71/844991071.db2.gz IAHUQLUDOKFWDC-KSEOMHKRSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182471621 844991076 /nfs/dbraw/zinc/99/10/76/844991076.db2.gz IAHUQLUDOKFWDC-KSEOMHKRSA-N 1 3 398.595 3.603 20 0 GHADHO C[C@H]1C[C@H](NCCNc2nccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513212853 845055693 /nfs/dbraw/zinc/05/56/93/845055693.db2.gz RCXZNWPJQVJVAV-DOTOQJQBSA-N 1 3 393.457 3.550 20 0 GHADHO C[C@H]1C[C@H](NCCNc2nccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000513212853 845055695 /nfs/dbraw/zinc/05/56/95/845055695.db2.gz RCXZNWPJQVJVAV-DOTOQJQBSA-N 1 3 393.457 3.550 20 0 GHADHO CCn1nc(CNCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000472048579 845587504 /nfs/dbraw/zinc/58/75/04/845587504.db2.gz RFOICFVLTCMJIT-OALUTQOASA-N 1 3 392.547 3.955 20 0 GHADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000472080452 845730927 /nfs/dbraw/zinc/73/09/27/845730927.db2.gz PAURRHFQDGHYLR-QRQLOZEOSA-N 1 3 399.501 3.791 20 0 GHADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000472080452 845730930 /nfs/dbraw/zinc/73/09/30/845730930.db2.gz PAURRHFQDGHYLR-QRQLOZEOSA-N 1 3 399.501 3.791 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000502858153 846553856 /nfs/dbraw/zinc/55/38/56/846553856.db2.gz HOFQVFDQWWNBJQ-UNMCSNQZSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000502858153 846553863 /nfs/dbraw/zinc/55/38/63/846553863.db2.gz HOFQVFDQWWNBJQ-UNMCSNQZSA-N 1 3 386.584 3.605 20 0 GHADHO CC(C)COc1ccc(C(C)(C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000501036702 846582982 /nfs/dbraw/zinc/58/29/82/846582982.db2.gz OARNGBBEBSFQOU-UHFFFAOYSA-N 1 3 375.601 3.962 20 0 GHADHO OC1(C[NH2+]Cc2cnc(-c3ccccc3)s2)CCN(Cc2ccccc2)CC1 ZINC000414554737 846608920 /nfs/dbraw/zinc/60/89/20/846608920.db2.gz VTAVBMJJPZNRFJ-UHFFFAOYSA-N 1 3 393.556 3.927 20 0 GHADHO C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501077566 846619910 /nfs/dbraw/zinc/61/99/10/846619910.db2.gz IUEOOZDQHCHJSV-MRXNPFEDSA-N 1 3 386.927 3.910 20 0 GHADHO Cc1nc2cc(NCc3nc4c(s3)C[N@H+](C(C)C)CC4)ccc2n1[C@H](C)CO ZINC000419758441 846779129 /nfs/dbraw/zinc/77/91/29/846779129.db2.gz DWVBRZKLBCAQRJ-CQSZACIVSA-N 1 3 399.564 3.733 20 0 GHADHO Cc1nc2cc(NCc3nc4c(s3)C[N@@H+](C(C)C)CC4)ccc2n1[C@H](C)CO ZINC000419758441 846779132 /nfs/dbraw/zinc/77/91/32/846779132.db2.gz DWVBRZKLBCAQRJ-CQSZACIVSA-N 1 3 399.564 3.733 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(N3CCOC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272811258 847179524 /nfs/dbraw/zinc/17/95/24/847179524.db2.gz ARCVBAYXDROITF-NQIIRXRSSA-N 1 3 379.504 3.786 20 0 GHADHO C[C@@H]1C[C@@H](NCc2ccc(N3CCOC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272811258 847179534 /nfs/dbraw/zinc/17/95/34/847179534.db2.gz ARCVBAYXDROITF-NQIIRXRSSA-N 1 3 379.504 3.786 20 0 GHADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000501827663 847217739 /nfs/dbraw/zinc/21/77/39/847217739.db2.gz QIQVJYCFWAENLG-NHCUHLMSSA-N 1 3 397.567 3.744 20 0 GHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000582501760 847428331 /nfs/dbraw/zinc/42/83/31/847428331.db2.gz DUHXENLITGYDQG-UKDVSSAZSA-N 1 3 393.575 3.724 20 0 GHADHO CCCn1nccc1C1CC[NH+](Cc2ccccc2N2CCN(CC)CC2)CC1 ZINC000502297429 847708611 /nfs/dbraw/zinc/70/86/11/847708611.db2.gz ACOKDEPZPWUTRR-UHFFFAOYSA-N 1 3 395.595 3.815 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790544 847745768 /nfs/dbraw/zinc/74/57/68/847745768.db2.gz ZJQHWQFWVVDDSC-SFTDATJTSA-N 1 3 399.579 3.745 20 0 GHADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790544 847745771 /nfs/dbraw/zinc/74/57/71/847745771.db2.gz ZJQHWQFWVVDDSC-SFTDATJTSA-N 1 3 399.579 3.745 20 0 GHADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733409 847788206 /nfs/dbraw/zinc/78/82/06/847788206.db2.gz QXYUMTUJSZMFAT-ZLGUVYLKSA-N 1 3 391.481 3.828 20 0 GHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733409 847788211 /nfs/dbraw/zinc/78/82/11/847788211.db2.gz QXYUMTUJSZMFAT-ZLGUVYLKSA-N 1 3 391.481 3.828 20 0 GHADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Sc1ccc(Br)cc1 ZINC000422961574 847905101 /nfs/dbraw/zinc/90/51/01/847905101.db2.gz ZGSVLTROWRPUAL-XFKAJCMBSA-N 1 3 399.398 3.676 20 0 GHADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611678611 847910970 /nfs/dbraw/zinc/91/09/70/847910970.db2.gz JSKARVRLASJSOB-QHCPKHFHSA-N 1 3 398.595 3.559 20 0 GHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2Nc1cccc(CN2CCSCC2)c1 ZINC000422957893 847915752 /nfs/dbraw/zinc/91/57/52/847915752.db2.gz VVQQTXSPGAAPPJ-FYYLOGMGSA-N 1 3 395.572 3.903 20 0 GHADHO Fc1ccc([C@@H]2OCC[C@@H]2N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000423016840 847938624 /nfs/dbraw/zinc/93/86/24/847938624.db2.gz NJXNOAULYNZYFA-LGGPRVQUSA-N 1 3 386.442 3.640 20 0 GHADHO COc1ccc2ccccc2c1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657593639 848283164 /nfs/dbraw/zinc/28/31/64/848283164.db2.gz AYMVWKBHNXCJJC-NRFANRHFSA-N 1 3 376.500 3.705 20 0 GHADHO COc1ccc2ccccc2c1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657593639 848283171 /nfs/dbraw/zinc/28/31/71/848283171.db2.gz AYMVWKBHNXCJJC-NRFANRHFSA-N 1 3 376.500 3.705 20 0 GHADHO Cc1ccccc1-n1nccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613922 848342894 /nfs/dbraw/zinc/34/28/94/848342894.db2.gz WXGNEIIUOWJBSO-UHFFFAOYSA-N 1 3 375.520 3.578 20 0 GHADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604166011 861913589 /nfs/dbraw/zinc/91/35/89/861913589.db2.gz SFJNTCOVXJPNIW-JOCHJYFZSA-N 1 3 386.584 3.633 20 0 GHADHO C[NH+](C)CCC1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604207103 861947359 /nfs/dbraw/zinc/94/73/59/861947359.db2.gz ZIFVAHUVUBKANR-JOCHJYFZSA-N 1 3 386.584 3.587 20 0 GHADHO CN(C)Cc1cccc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c1 ZINC000155868152 849671670 /nfs/dbraw/zinc/67/16/70/849671670.db2.gz ABLSUZYBCBSXQS-UHFFFAOYSA-N 1 3 380.536 3.531 20 0 GHADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423130189 849752152 /nfs/dbraw/zinc/75/21/52/849752152.db2.gz MVIXDMYDYGNWIS-KPQYALRZSA-N 1 3 388.939 3.940 20 0 GHADHO CSc1cccc([C@H](NCCCN2CC[NH2+]CC2)c2ccc(F)c(F)c2)c1 ZINC000423176763 849788093 /nfs/dbraw/zinc/78/80/93/849788093.db2.gz DBXXXJDKOXXRJJ-NRFANRHFSA-N 1 3 391.531 3.661 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000423213530 849795325 /nfs/dbraw/zinc/79/53/25/849795325.db2.gz NKNGYIOWWFFENS-VXGBXAGGSA-N 1 3 377.838 3.665 20 0 GHADHO COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747372 849947587 /nfs/dbraw/zinc/94/75/87/849947587.db2.gz RTRAPOFBMQNHHS-RTBURBONSA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747372 849947594 /nfs/dbraw/zinc/94/75/94/849947594.db2.gz RTRAPOFBMQNHHS-RTBURBONSA-N 1 3 395.547 3.552 20 0 GHADHO C[C@@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000423647428 850006971 /nfs/dbraw/zinc/00/69/71/850006971.db2.gz QOWGCHMYDNJLMT-OAHLLOKOSA-N 1 3 393.453 3.929 20 0 GHADHO CC[C@@H](C)[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000518784374 850147002 /nfs/dbraw/zinc/14/70/02/850147002.db2.gz YFUQDLVQFGDQMH-VFNWGFHPSA-N 1 3 377.960 3.760 20 0 GHADHO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000297428807 850201222 /nfs/dbraw/zinc/20/12/22/850201222.db2.gz ZMLONQTWYSWAJS-DNVFCKCGSA-N 1 3 398.595 3.521 20 0 GHADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CN(Cc4ccccc4)CC34CCOCC4)C[C@H]2C1 ZINC000424348591 850378431 /nfs/dbraw/zinc/37/84/31/850378431.db2.gz LUPBDCIMVMBNHO-OEYYQIPYSA-N 1 3 398.591 3.708 20 0 GHADHO C[C@H]1CC2(CN1Cc1nc(-c3cccc(Br)c3)c[nH]1)CC[NH2+]CC2 ZINC000424387985 850426517 /nfs/dbraw/zinc/42/65/17/850426517.db2.gz YTMSQJVKRTYBNV-AWEZNQCLSA-N 1 3 389.341 3.803 20 0 GHADHO CC1CCN([C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c2cccs2)CC1 ZINC000514934615 850503563 /nfs/dbraw/zinc/50/35/63/850503563.db2.gz UZVIZRGSMMKRRJ-WOJBJXKFSA-N 1 3 383.561 3.524 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC[C@H]1CCC[NH2+]C1 ZINC000414827861 850813675 /nfs/dbraw/zinc/81/36/75/850813675.db2.gz KTOWTIBTGJPYPW-RYUDHWBXSA-N 1 3 377.838 3.665 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1)c1ccsc1 ZINC000487857336 850937161 /nfs/dbraw/zinc/93/71/61/850937161.db2.gz JOTJCDIVJHZXKI-HNBVOPMISA-N 1 3 392.613 3.503 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1)c1ccsc1 ZINC000487857336 850937172 /nfs/dbraw/zinc/93/71/72/850937172.db2.gz JOTJCDIVJHZXKI-HNBVOPMISA-N 1 3 392.613 3.503 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@]2(CCCN2C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374137 851120773 /nfs/dbraw/zinc/12/07/73/851120773.db2.gz WPGXJQFROASVRT-QFIPXVFZSA-N 1 3 377.573 3.726 20 0 GHADHO C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc2)C[C@@H](C)O1 ZINC000570359751 852049801 /nfs/dbraw/zinc/04/98/01/852049801.db2.gz BEZMALVKVKTWJI-HZPDHXFCSA-N 1 3 389.459 3.661 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000489185183 852099108 /nfs/dbraw/zinc/09/91/08/852099108.db2.gz NUNZKNNXSJFWQY-WMZHIEFXSA-N 1 3 394.563 3.601 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000489185183 852099115 /nfs/dbraw/zinc/09/91/15/852099115.db2.gz NUNZKNNXSJFWQY-WMZHIEFXSA-N 1 3 394.563 3.601 20 0 GHADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438341258 852287979 /nfs/dbraw/zinc/28/79/79/852287979.db2.gz AQUZWDASPXEPBF-IBGZPJMESA-N 1 3 392.613 3.618 20 0 GHADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438341258 852287988 /nfs/dbraw/zinc/28/79/88/852287988.db2.gz AQUZWDASPXEPBF-IBGZPJMESA-N 1 3 392.613 3.618 20 0 GHADHO CC1CCN(C[C@H](O)C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038458 852496332 /nfs/dbraw/zinc/49/63/32/852496332.db2.gz ZBZSSNZOKSONCO-YADHBBJMSA-N 1 3 387.955 3.701 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cn1 ZINC000518131625 852893955 /nfs/dbraw/zinc/89/39/55/852893955.db2.gz GJBPHVYSGWLOCP-IRLDBZIGSA-N 1 3 380.536 3.568 20 0 GHADHO CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]13)C2 ZINC000507513436 852991550 /nfs/dbraw/zinc/99/15/50/852991550.db2.gz RNDMHBDMQUQGNY-CLAROIROSA-N 1 3 392.591 3.996 20 0 GHADHO C[NH+]1CCN(c2cc(-c3noc(/C=C\c4ccc(Cl)s4)n3)ccn2)CC1 ZINC000664934928 853307683 /nfs/dbraw/zinc/30/76/83/853307683.db2.gz RMTSHHNCMYLVQE-HWKANZROSA-N 1 3 387.896 3.769 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)[NH+]2CCCC2)cc1 ZINC000520299782 854060113 /nfs/dbraw/zinc/06/01/13/854060113.db2.gz RPZDLHLDMFGVED-DHIUTWEWSA-N 1 3 394.563 3.734 20 0 GHADHO CCCNC(=O)CN1CCC(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000123647834 854411816 /nfs/dbraw/zinc/41/18/16/854411816.db2.gz UTVMCZVLVGEKSZ-UHFFFAOYSA-N 1 3 394.441 3.656 20 0 GHADHO C[C@@H]1CC2(CN1Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC[NH2+]CC2 ZINC000572750169 854961614 /nfs/dbraw/zinc/96/16/14/854961614.db2.gz XFQZPKLVGWDIPS-CYBMUJFWSA-N 1 3 380.414 3.719 20 0 GHADHO O[C@H](CN1CC[C@H](C[NH+]2CCCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000441462503 855016251 /nfs/dbraw/zinc/01/62/51/855016251.db2.gz IQUWYBBBPAAISO-NHCUHLMSSA-N 1 3 391.559 3.963 20 0 GHADHO O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000441462503 855016258 /nfs/dbraw/zinc/01/62/58/855016258.db2.gz IQUWYBBBPAAISO-NHCUHLMSSA-N 1 3 391.559 3.963 20 0 GHADHO O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000441462503 855016263 /nfs/dbraw/zinc/01/62/63/855016263.db2.gz IQUWYBBBPAAISO-NHCUHLMSSA-N 1 3 391.559 3.963 20 0 GHADHO CCSc1ccccc1[C@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180995694 862710131 /nfs/dbraw/zinc/71/01/31/862710131.db2.gz FITRHRCBXWAQGE-KRWDZBQOSA-N 1 3 385.577 3.941 20 0 GHADHO CCCN(C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000520610125 855788001 /nfs/dbraw/zinc/78/80/01/855788001.db2.gz VQOAHBWIZWRGRS-KNQAVFIVSA-N 1 3 386.584 3.555 20 0 GHADHO CCCN(C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000520610125 855788008 /nfs/dbraw/zinc/78/80/08/855788008.db2.gz VQOAHBWIZWRGRS-KNQAVFIVSA-N 1 3 386.584 3.555 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C[C@H]1C ZINC000674031771 862750094 /nfs/dbraw/zinc/75/00/94/862750094.db2.gz ZLNLBKYUYRMRHZ-HJNYFJLDSA-N 1 3 386.584 3.728 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C[C@H]1C ZINC000674031771 862750101 /nfs/dbraw/zinc/75/01/01/862750101.db2.gz ZLNLBKYUYRMRHZ-HJNYFJLDSA-N 1 3 386.584 3.728 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@](C)(O)C(F)(F)C(F)(F)F)[C@H]1c1cccs1 ZINC000905133599 856180664 /nfs/dbraw/zinc/18/06/64/856180664.db2.gz QMOGHMAFLHJBSW-XBFCOCLRSA-N 1 3 386.430 3.669 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@](C)(O)C(F)(F)C(F)(F)F)[C@H]1c1cccs1 ZINC000905133599 856180665 /nfs/dbraw/zinc/18/06/65/856180665.db2.gz QMOGHMAFLHJBSW-XBFCOCLRSA-N 1 3 386.430 3.669 20 0 GHADHO CN(C)C(=O)c1ccccc1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000417773130 856372195 /nfs/dbraw/zinc/37/21/95/856372195.db2.gz WDLXHKHLNWBCEE-UHFFFAOYSA-N 1 3 379.548 3.732 20 0 GHADHO CN(C)C(=O)c1ccccc1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000417773130 856372203 /nfs/dbraw/zinc/37/22/03/856372203.db2.gz WDLXHKHLNWBCEE-UHFFFAOYSA-N 1 3 379.548 3.732 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1(N)CCCC1 ZINC000665246562 856792262 /nfs/dbraw/zinc/79/22/62/856792262.db2.gz IWTZOHVDFYXOLH-LLVKDONJSA-N 1 3 377.838 3.937 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2)CC1 ZINC000485612518 856831851 /nfs/dbraw/zinc/83/18/51/856831851.db2.gz HSOKHMINWIXKEE-YTFSRNRJSA-N 1 3 398.595 3.585 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2)CC1 ZINC000485612518 856831858 /nfs/dbraw/zinc/83/18/58/856831858.db2.gz HSOKHMINWIXKEE-YTFSRNRJSA-N 1 3 398.595 3.585 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000427888018 856846688 /nfs/dbraw/zinc/84/66/88/856846688.db2.gz CIKVEPLQKAECMQ-XWGVYQGASA-N 1 3 387.612 3.768 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000062253004 857562454 /nfs/dbraw/zinc/56/24/54/857562454.db2.gz HPBRBPLHBRHEOZ-IYBDPMFKSA-N 1 3 376.932 3.709 20 0 GHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000442859587 858180409 /nfs/dbraw/zinc/18/04/09/858180409.db2.gz ANWRGXCAWUSLLO-HUUCEWRRSA-N 1 3 388.383 3.765 20 0 GHADHO Cc1nc(-c2cc([C@H](C)[NH2+]CCN3CCN(C)C(C)(C)C3)cs2)cs1 ZINC000442865461 858184257 /nfs/dbraw/zinc/18/42/57/858184257.db2.gz FXTKMEXTBNHFIB-AWEZNQCLSA-N 1 3 378.611 3.857 20 0 GHADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)cc(Br)c1 ZINC000442872554 858189402 /nfs/dbraw/zinc/18/94/02/858189402.db2.gz JSIGGQYPGHFZSM-QGZVFWFLSA-N 1 3 386.353 3.655 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000066704658 858256321 /nfs/dbraw/zinc/25/63/21/858256321.db2.gz VHGZJNVXKUJEMR-HXUWFJFHSA-N 1 3 390.572 3.540 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000066704658 858256331 /nfs/dbraw/zinc/25/63/31/858256331.db2.gz VHGZJNVXKUJEMR-HXUWFJFHSA-N 1 3 390.572 3.540 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000595065278 858368454 /nfs/dbraw/zinc/36/84/54/858368454.db2.gz CJQBSDJOFBZUJI-HSZRJFAPSA-N 1 3 393.531 3.747 20 0 GHADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(C(=O)OC)cc1 ZINC000595066734 858369990 /nfs/dbraw/zinc/36/99/90/858369990.db2.gz JYONVXXYLICCBB-JOCHJYFZSA-N 1 3 381.520 3.821 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(Cl)ccc3N(C)C)CC2)CC1 ZINC000575069577 858512128 /nfs/dbraw/zinc/51/21/28/858512128.db2.gz BGRKDNRZPYFJSD-UHFFFAOYSA-N 1 3 392.975 3.541 20 0 GHADHO COC(=O)c1ccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000595900182 858711348 /nfs/dbraw/zinc/71/13/48/858711348.db2.gz AGOMEKMPCFDQFW-LJQANCHMSA-N 1 3 399.560 3.808 20 0 GHADHO COc1cccc(C[C@H](CO)NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168020733 858852554 /nfs/dbraw/zinc/85/25/54/858852554.db2.gz NKETWLSGBHGYIQ-DNVFCKCGSA-N 1 3 382.548 3.630 20 0 GHADHO CCN(Cc1ccc2c(c1)CCC(=O)N2C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187073190 858983815 /nfs/dbraw/zinc/98/38/15/858983815.db2.gz CGDNDBVDBCFKPA-JOCHJYFZSA-N 1 3 391.559 3.940 20 0 GHADHO CCN(Cc1ccc2c(c1)CCC(=O)N2C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187073190 858983829 /nfs/dbraw/zinc/98/38/29/858983829.db2.gz CGDNDBVDBCFKPA-JOCHJYFZSA-N 1 3 391.559 3.940 20 0 GHADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000429688633 859008644 /nfs/dbraw/zinc/00/86/44/859008644.db2.gz CPOXMLXUOVEZII-RPBOFIJWSA-N 1 3 399.623 3.866 20 0 GHADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000429688628 859009061 /nfs/dbraw/zinc/00/90/61/859009061.db2.gz CPOXMLXUOVEZII-DQEYMECFSA-N 1 3 399.623 3.866 20 0 GHADHO Cc1sc([C@H](C)NC[C@@H]2CC3(C[NH2+]C3)CO2)nc1-c1ccc(Cl)cc1 ZINC000923376913 859261398 /nfs/dbraw/zinc/26/13/98/859261398.db2.gz GNAUTQSNPDHJQT-LRDDRELGSA-N 1 3 377.941 3.801 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429415000 859313535 /nfs/dbraw/zinc/31/35/35/859313535.db2.gz ZWHGLKPGRUGHRE-SDUSCBPUSA-N 1 3 399.623 3.910 20 0 GHADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114642553 859792198 /nfs/dbraw/zinc/79/21/98/859792198.db2.gz OVDGHNAOXXVTSU-LJQANCHMSA-N 1 3 391.515 3.889 20 0 GHADHO C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000765371817 859932693 /nfs/dbraw/zinc/93/26/93/859932693.db2.gz PESPEQBXCVZBAQ-LJQANCHMSA-N 1 3 395.547 3.714 20 0 GHADHO C[C@H]1CC(N[C@@H]2CCN(Cc3ccccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033586 859967591 /nfs/dbraw/zinc/96/75/91/859967591.db2.gz MJYUYSADRYSKSU-SXWKCWPCSA-N 1 3 378.564 3.687 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3cnc4ccccc4c3)CC2)cc1 ZINC000727467186 860105400 /nfs/dbraw/zinc/10/54/00/860105400.db2.gz POPYPYMWIRRVRP-UHFFFAOYSA-N 1 3 388.559 3.922 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168037151 860377801 /nfs/dbraw/zinc/37/78/01/860377801.db2.gz WUOGTKDTVKQCSM-HGKCTWBKSA-N 1 3 380.458 3.977 20 0 GHADHO C[C@H]1CC([NH2+]Cc2cnn(CC(F)(F)F)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168037154 860377945 /nfs/dbraw/zinc/37/79/45/860377945.db2.gz WUOGTKDTVKQCSM-HOTGVXAUSA-N 1 3 380.458 3.977 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)n2c1CCCC2 ZINC000598629491 860458738 /nfs/dbraw/zinc/45/87/38/860458738.db2.gz LSSJADWSVHSZCD-UHFFFAOYSA-N 1 3 395.547 3.887 20 0 GHADHO CN(C)CC(C)(C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000061012142 860546654 /nfs/dbraw/zinc/54/66/54/860546654.db2.gz JCTFUEMZBWDRFX-UHFFFAOYSA-N 1 3 377.536 3.671 20 0 GHADHO Cc1sc2ncnc(NC(=[NH2+])N3CCN(C)CC3)c2c1-c1ccc(C)cc1 ZINC001168735512 860641395 /nfs/dbraw/zinc/64/13/95/860641395.db2.gz RRMRXGXMHJFVJJ-UHFFFAOYSA-N 1 3 380.521 3.569 20 0 GHADHO Cn1ncc(NC(=O)OC(C)(C)C)c1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000896387963 860687038 /nfs/dbraw/zinc/68/70/38/860687038.db2.gz OCYCOBZIQGWNCQ-UHFFFAOYSA-N 1 3 391.560 3.654 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603882 881578303 /nfs/dbraw/zinc/57/83/03/881578303.db2.gz GAIVJOVKRAARRH-FGZHOGPDSA-N 1 3 387.568 3.867 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603882 881578315 /nfs/dbraw/zinc/57/83/15/881578315.db2.gz GAIVJOVKRAARRH-FGZHOGPDSA-N 1 3 387.568 3.867 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607154 881585363 /nfs/dbraw/zinc/58/53/63/881585363.db2.gz WXQHWINWBBJJTL-VEXUSMLFSA-N 1 3 397.563 3.540 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607154 881585373 /nfs/dbraw/zinc/58/53/73/881585373.db2.gz WXQHWINWBBJJTL-VEXUSMLFSA-N 1 3 397.563 3.540 20 0 GHADHO COc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC1CC1 ZINC000623516790 861149785 /nfs/dbraw/zinc/14/97/85/861149785.db2.gz FFTSQXFTVIQNAO-UHFFFAOYSA-N 1 3 396.531 3.999 20 0 GHADHO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000182736244 863341646 /nfs/dbraw/zinc/34/16/46/863341646.db2.gz GBXZBYKYRWUGOT-SFHVURJKSA-N 1 3 391.625 3.855 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606691032 863782563 /nfs/dbraw/zinc/78/25/63/863782563.db2.gz WDXLXXKQZPDUPW-QHCPKHFHSA-N 1 3 398.595 3.874 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606691032 863782568 /nfs/dbraw/zinc/78/25/68/863782568.db2.gz WDXLXXKQZPDUPW-QHCPKHFHSA-N 1 3 398.595 3.874 20 0 GHADHO C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000522961988 863808268 /nfs/dbraw/zinc/80/82/68/863808268.db2.gz QHYLXFRVRYWLPC-LVZFUZTISA-N 1 3 377.532 3.705 20 0 GHADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000621642601 864346840 /nfs/dbraw/zinc/34/68/40/864346840.db2.gz RBUSZLXZGJLLEO-VQIMIIECSA-N 1 3 399.501 3.984 20 0 GHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc(-n3cccn3)cc2)CC1 ZINC000608071135 864962658 /nfs/dbraw/zinc/96/26/58/864962658.db2.gz QJEBUHAIMWDAKC-UHFFFAOYSA-N 1 3 395.938 3.567 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001170423337 881831668 /nfs/dbraw/zinc/83/16/68/881831668.db2.gz DDSUNSNGWAYXOM-FQEVSTJZSA-N 1 3 381.520 3.633 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480719099 865160688 /nfs/dbraw/zinc/16/06/88/865160688.db2.gz XIDBMJXSJMCYBD-UNMCSNQZSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480719099 865160693 /nfs/dbraw/zinc/16/06/93/865160693.db2.gz XIDBMJXSJMCYBD-UNMCSNQZSA-N 1 3 383.580 3.764 20 0 GHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001170423535 881843262 /nfs/dbraw/zinc/84/32/62/881843262.db2.gz GDRKQUUSFWUPAR-FQEVSTJZSA-N 1 3 384.495 3.912 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001170423536 881843554 /nfs/dbraw/zinc/84/35/54/881843554.db2.gz GDRKQUUSFWUPAR-HXUWFJFHSA-N 1 3 384.495 3.912 20 0 GHADHO Cc1nn(C)c2ncc(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)cc12 ZINC000171384802 865234281 /nfs/dbraw/zinc/23/42/81/865234281.db2.gz TZXXJZGJNRIRKR-UHFFFAOYSA-N 1 3 377.536 3.621 20 0 GHADHO Cc1nn(C)c2ncc(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc12 ZINC000171384802 865234294 /nfs/dbraw/zinc/23/42/94/865234294.db2.gz TZXXJZGJNRIRKR-UHFFFAOYSA-N 1 3 377.536 3.621 20 0 GHADHO Cc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000508486124 866020769 /nfs/dbraw/zinc/02/07/69/866020769.db2.gz RYDHCVWNODFYON-OAQYLSRUSA-N 1 3 386.584 3.728 20 0 GHADHO Cc1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000508486124 866020782 /nfs/dbraw/zinc/02/07/82/866020782.db2.gz RYDHCVWNODFYON-OAQYLSRUSA-N 1 3 386.584 3.728 20 0 GHADHO O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000555380592 866034967 /nfs/dbraw/zinc/03/49/67/866034967.db2.gz YMQJFKIZYLIGBW-JRFVFWCSSA-N 1 3 382.523 3.716 20 0 GHADHO O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000555380592 866034982 /nfs/dbraw/zinc/03/49/82/866034982.db2.gz YMQJFKIZYLIGBW-JRFVFWCSSA-N 1 3 382.523 3.716 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000671308500 866139067 /nfs/dbraw/zinc/13/90/67/866139067.db2.gz CEOMWVJNWCBZRH-UHFFFAOYSA-N 1 3 389.490 3.618 20 0 GHADHO C[NH+](C)CCCC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000189797081 882008026 /nfs/dbraw/zinc/00/80/26/882008026.db2.gz SYMDWMRMYUKEQQ-NRFANRHFSA-N 1 3 393.522 3.510 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@H](C)C1 ZINC000153706571 867035587 /nfs/dbraw/zinc/03/55/87/867035587.db2.gz HBKBHFKDBFGSDK-UTKZUKDTSA-N 1 3 388.531 3.546 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@H](C)C1 ZINC000153706571 867035603 /nfs/dbraw/zinc/03/56/03/867035603.db2.gz HBKBHFKDBFGSDK-UTKZUKDTSA-N 1 3 388.531 3.546 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@H](C)C1 ZINC000153706571 867035617 /nfs/dbraw/zinc/03/56/17/867035617.db2.gz HBKBHFKDBFGSDK-UTKZUKDTSA-N 1 3 388.531 3.546 20 0 GHADHO O=C(CN[C@H](c1ccc(Cl)cc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000553305477 867169333 /nfs/dbraw/zinc/16/93/33/867169333.db2.gz TVDSWVBXPJWZAU-QFIPXVFZSA-N 1 3 389.971 3.904 20 0 GHADHO CCc1nc2cc(NC(=O)C3CCN(C4CC[NH+](CC)CC4)CC3)ccc2o1 ZINC000553350622 867246790 /nfs/dbraw/zinc/24/67/90/867246790.db2.gz XTYWXTDPQSCNEL-UHFFFAOYSA-N 1 3 384.524 3.525 20 0 GHADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000479218651 867372977 /nfs/dbraw/zinc/37/29/77/867372977.db2.gz QWIKVVBEFGKXMZ-REWPJTCUSA-N 1 3 379.548 3.535 20 0 GHADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479489974 867875412 /nfs/dbraw/zinc/87/54/12/867875412.db2.gz NVXWWLSZMKRYHS-ZQAWKMMESA-N 1 3 389.543 3.703 20 0 GHADHO CC1CCN([C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)c2cccs2)CC1 ZINC000457484051 868345309 /nfs/dbraw/zinc/34/53/09/868345309.db2.gz NSCXGAHSKIBJEN-GOSISDBHSA-N 1 3 394.629 3.941 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C)cc1 ZINC000156894579 868494669 /nfs/dbraw/zinc/49/46/69/868494669.db2.gz DLXJODPZTZDCOA-GOTSBHOMSA-N 1 3 379.548 3.933 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C)cc1 ZINC000156894579 868494677 /nfs/dbraw/zinc/49/46/77/868494677.db2.gz DLXJODPZTZDCOA-GOTSBHOMSA-N 1 3 379.548 3.933 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC5(CCSCC5)C4)[C@@H]3C2)cc1 ZINC000272611431 868510747 /nfs/dbraw/zinc/51/07/47/868510747.db2.gz WIRPPEWGGVDVLH-CBPXPLCBSA-N 1 3 386.605 3.931 20 0 GHADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)N(C)C)c1 ZINC000479864486 868660451 /nfs/dbraw/zinc/66/04/51/868660451.db2.gz ULABXXWRZPTUPK-YGOYIFOWSA-N 1 3 381.564 3.798 20 0 GHADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N(C)C)c1 ZINC000479864486 868660459 /nfs/dbraw/zinc/66/04/59/868660459.db2.gz ULABXXWRZPTUPK-YGOYIFOWSA-N 1 3 381.564 3.798 20 0 GHADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N(C)C)c1 ZINC000479864486 868660467 /nfs/dbraw/zinc/66/04/67/868660467.db2.gz ULABXXWRZPTUPK-YGOYIFOWSA-N 1 3 381.564 3.798 20 0 GHADHO CN(CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Cc1ccco1 ZINC000554136050 868803703 /nfs/dbraw/zinc/80/37/03/868803703.db2.gz CLSJTBMDHKKRPA-FQEVSTJZSA-N 1 3 390.572 3.540 20 0 GHADHO CN(CCCN(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)Cc1ccco1 ZINC000554136050 868803715 /nfs/dbraw/zinc/80/37/15/868803715.db2.gz CLSJTBMDHKKRPA-FQEVSTJZSA-N 1 3 390.572 3.540 20 0 GHADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C(F)(F)F ZINC000122119403 882424465 /nfs/dbraw/zinc/42/44/65/882424465.db2.gz SAMWSLISTXVPFA-UHFFFAOYSA-N 1 3 398.473 3.694 20 0 GHADHO Cn1c2ccc(CNC[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000248830426 870655828 /nfs/dbraw/zinc/65/58/28/870655828.db2.gz FAYRPRPXFZFBLL-HNAYVOBHSA-N 1 3 387.574 3.834 20 0 GHADHO Cn1c2ccc(CNC[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000248830426 870655835 /nfs/dbraw/zinc/65/58/35/870655835.db2.gz FAYRPRPXFZFBLL-HNAYVOBHSA-N 1 3 387.574 3.834 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120229 871209928 /nfs/dbraw/zinc/20/99/28/871209928.db2.gz ZUGIAVBGXNQNEO-PIATZUFCSA-N 1 3 380.532 3.688 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120229 871209945 /nfs/dbraw/zinc/20/99/45/871209945.db2.gz ZUGIAVBGXNQNEO-PIATZUFCSA-N 1 3 380.532 3.688 20 0 GHADHO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001193649813 871215390 /nfs/dbraw/zinc/21/53/90/871215390.db2.gz XWAUSPZPQPDBJV-KNQAVFIVSA-N 1 3 386.584 3.716 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C[C@@H](C)O1 ZINC000539072832 871259214 /nfs/dbraw/zinc/25/92/14/871259214.db2.gz VBAPBLUJMUGQSE-JXXFODFXSA-N 1 3 395.385 3.785 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C4CCCCC4)C3)CC2)CC1 ZINC000618186559 871392712 /nfs/dbraw/zinc/39/27/12/871392712.db2.gz OHQZSNRZHGUETL-NRFANRHFSA-N 1 3 375.601 3.612 20 0 GHADHO CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC001193977468 871414288 /nfs/dbraw/zinc/41/42/88/871414288.db2.gz RKSKFVKEMYRDNT-NRFANRHFSA-N 1 3 379.976 3.960 20 0 GHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC001169553408 871631337 /nfs/dbraw/zinc/63/13/37/871631337.db2.gz CXZAFNVKVHHRPO-TZRRMPRUSA-N 1 3 393.575 3.797 20 0 GHADHO OC[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000552034574 871659206 /nfs/dbraw/zinc/65/92/06/871659206.db2.gz GUSOGJWRXWUCAM-NEUULRRLSA-N 1 3 382.548 3.711 20 0 GHADHO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000447543296 871813792 /nfs/dbraw/zinc/81/37/92/871813792.db2.gz RLXPCSBZVGMNPV-SOLBZPMBSA-N 1 3 392.540 3.621 20 0 GHADHO C[C@@H](NC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC001169781728 871872450 /nfs/dbraw/zinc/87/24/50/871872450.db2.gz URYSQHOCKVOYIU-UXHICEINSA-N 1 3 397.607 3.939 20 0 GHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071474 871979671 /nfs/dbraw/zinc/97/96/71/871979671.db2.gz HRQOHFWHRTXUMO-UKRRQHHQSA-N 1 3 383.330 3.525 20 0 GHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071474 871979672 /nfs/dbraw/zinc/97/96/72/871979672.db2.gz HRQOHFWHRTXUMO-UKRRQHHQSA-N 1 3 383.330 3.525 20 0 GHADHO CC(C)N1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1 ZINC000541090449 872901488 /nfs/dbraw/zinc/90/14/88/872901488.db2.gz JECDRRCMUANXRY-NRFANRHFSA-N 1 3 394.003 3.954 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)ccc1OC ZINC000528014886 873886283 /nfs/dbraw/zinc/88/62/83/873886283.db2.gz IMLSUFQTPGIUHO-SFHVURJKSA-N 1 3 389.584 3.836 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCC4(C[C@H]3F)OCCO4)cc2)C1 ZINC001199265571 874882663 /nfs/dbraw/zinc/88/26/63/874882663.db2.gz BWRHSWHHFVQXTO-UIFIKXQLSA-N 1 3 376.516 3.642 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCC4(C[C@H]3F)OCCO4)cc2)C1 ZINC001199265571 874882675 /nfs/dbraw/zinc/88/26/75/874882675.db2.gz BWRHSWHHFVQXTO-UIFIKXQLSA-N 1 3 376.516 3.642 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccsc1 ZINC000542421717 875546571 /nfs/dbraw/zinc/54/65/71/875546571.db2.gz OSWQJSXLPRDSAQ-PKOBYXMFSA-N 1 3 380.602 3.695 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccsc1 ZINC000542421714 875546731 /nfs/dbraw/zinc/54/67/31/875546731.db2.gz OSWQJSXLPRDSAQ-IEBWSBKVSA-N 1 3 380.602 3.695 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1Br ZINC000192785624 883017502 /nfs/dbraw/zinc/01/75/02/883017502.db2.gz XOKDTYNBSXUXFM-MRXNPFEDSA-N 1 3 398.389 3.524 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccccc3CC(C)C)CC2)CC1 ZINC000529568296 876341650 /nfs/dbraw/zinc/34/16/50/876341650.db2.gz WSZZZZPDBDNXSK-UHFFFAOYSA-N 1 3 385.596 3.698 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nnc(C(C)C)s2)CC1 ZINC000492398491 876738165 /nfs/dbraw/zinc/73/81/65/876738165.db2.gz MPTBCFRNUSOCLU-UHFFFAOYSA-N 1 3 387.597 3.526 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836910 876957022 /nfs/dbraw/zinc/95/70/22/876957022.db2.gz QENPMKJOXDCVDA-CNNODRBYSA-N 1 3 392.547 3.920 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836910 876957030 /nfs/dbraw/zinc/95/70/30/876957030.db2.gz QENPMKJOXDCVDA-CNNODRBYSA-N 1 3 392.547 3.920 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000079393176 877181151 /nfs/dbraw/zinc/18/11/51/877181151.db2.gz IODWVAQQVFTEKS-OAQYLSRUSA-N 1 3 386.584 3.559 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000079393176 877181161 /nfs/dbraw/zinc/18/11/61/877181161.db2.gz IODWVAQQVFTEKS-OAQYLSRUSA-N 1 3 386.584 3.559 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000642629843 912229521 /nfs/dbraw/zinc/22/95/21/912229521.db2.gz UHDPAXOAVPORFQ-GOSISDBHSA-N 1 3 393.531 3.897 20 0 GHADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCN[C@H](c4ccccc4)C3)CC2)oc1C ZINC000667006645 877606743 /nfs/dbraw/zinc/60/67/43/877606743.db2.gz HLJQHJIVQYNAMJ-VXKWHMMOSA-N 1 3 382.552 3.586 20 0 GHADHO Clc1ccc2c(n1)[C@@H]([NH2+]CCCCN1CCN(c3ccccc3)CC1)CC2 ZINC000788644917 878205034 /nfs/dbraw/zinc/20/50/34/878205034.db2.gz VZSZTNYDTMYTNT-FQEVSTJZSA-N 1 3 384.955 3.914 20 0 GHADHO O=C(c1ccc(Nc2ccncc2)cc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000530820562 878552110 /nfs/dbraw/zinc/55/21/10/878552110.db2.gz YIVNDPWYBNVGEP-UHFFFAOYSA-N 1 3 386.499 3.990 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)c2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100423 878814173 /nfs/dbraw/zinc/81/41/73/878814173.db2.gz DYVKIGADNRHAQB-NSISKUIASA-N 1 3 393.453 3.807 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)c2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100423 878814189 /nfs/dbraw/zinc/81/41/89/878814189.db2.gz DYVKIGADNRHAQB-NSISKUIASA-N 1 3 393.453 3.807 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnn(-c2ccccc2)c1 ZINC000530949602 878823498 /nfs/dbraw/zinc/82/34/98/878823498.db2.gz JIFIHUPTWFAUIN-UHFFFAOYSA-N 1 3 395.595 3.500 20 0 GHADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853241660 878927108 /nfs/dbraw/zinc/92/71/08/878927108.db2.gz WTOFIUOEWDWBPK-MISYRCLQSA-N 1 3 379.589 3.734 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000146674729 879042378 /nfs/dbraw/zinc/04/23/78/879042378.db2.gz UYEDGXVWJKKZHL-UHFFFAOYSA-N 1 3 380.536 3.782 20 0 GHADHO C[C@H](OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503607 879630006 /nfs/dbraw/zinc/63/00/06/879630006.db2.gz HUANKLFNIVVUDP-BYZLFZLASA-N 1 3 392.971 3.727 20 0 GHADHO C[C@H](OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503607 879630011 /nfs/dbraw/zinc/63/00/11/879630011.db2.gz HUANKLFNIVVUDP-BYZLFZLASA-N 1 3 392.971 3.727 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)[C@H](OC)c3ccccc3)cc2)CC1 ZINC000493967663 879785549 /nfs/dbraw/zinc/78/55/49/879785549.db2.gz HNRCNBDTBXKIJI-YKSBVNFPSA-N 1 3 381.564 3.690 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000247073618 879909708 /nfs/dbraw/zinc/90/97/08/879909708.db2.gz OKGUIHNCLIQQMA-IPJJNNNSSA-N 1 3 387.568 3.601 20 0 GHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494188177 880004151 /nfs/dbraw/zinc/00/41/51/880004151.db2.gz HQSQOKGXUFDNCF-DLBZAZTESA-N 1 3 387.749 3.570 20 0 GHADHO C[C@H](c1ccncc1)[NH+]1CCC(NCc2cncc(Br)c2)CC1 ZINC000183750746 880144670 /nfs/dbraw/zinc/14/46/70/880144670.db2.gz JBHQXGSOBLCDEO-CQSZACIVSA-N 1 3 375.314 3.554 20 0 GHADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000119894418 881204911 /nfs/dbraw/zinc/20/49/11/881204911.db2.gz LNGOCKCGFNLQQB-OAHLLOKOSA-N 1 3 390.881 3.797 20 0 GHADHO CC[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)CCO1 ZINC001170214471 881217544 /nfs/dbraw/zinc/21/75/44/881217544.db2.gz PIOZGHFJKKBAAZ-GBESFXJTSA-N 1 3 378.582 3.761 20 0 GHADHO CN1CCN(CCCC[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000551201655 883475648 /nfs/dbraw/zinc/47/56/48/883475648.db2.gz NKNMRGWLIZKCFR-UHFFFAOYSA-N 1 3 378.973 3.581 20 0 GHADHO CC1(C)[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@@H]2CCCO[C@@H]21 ZINC000551265609 883574672 /nfs/dbraw/zinc/57/46/72/883574672.db2.gz WPHNVXSYJXROGL-ACESQOTJSA-N 1 3 398.591 3.708 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)cs1 ZINC000194116093 883683030 /nfs/dbraw/zinc/68/30/30/883683030.db2.gz PHMJVXKSTSWADU-RCBQFDQVSA-N 1 3 387.387 3.929 20 0 GHADHO Fc1c(Cl)cccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911714 883848437 /nfs/dbraw/zinc/84/84/37/883848437.db2.gz USHXEYHNFDVMHT-INIZCTEOSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1c(Cl)cccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911714 883848451 /nfs/dbraw/zinc/84/84/51/883848451.db2.gz USHXEYHNFDVMHT-INIZCTEOSA-N 1 3 398.869 3.718 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000129975350 884019342 /nfs/dbraw/zinc/01/93/42/884019342.db2.gz ITXDTGRTEIRJPV-MOPGFXCFSA-N 1 3 397.485 3.723 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000191538226 884198659 /nfs/dbraw/zinc/19/86/59/884198659.db2.gz UCEBRUNTANDEPV-RTWAWAEBSA-N 1 3 393.641 3.832 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000191538226 884198666 /nfs/dbraw/zinc/19/86/66/884198666.db2.gz UCEBRUNTANDEPV-RTWAWAEBSA-N 1 3 393.641 3.832 20 0 GHADHO CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000476193021 884257805 /nfs/dbraw/zinc/25/78/05/884257805.db2.gz CYBPDEDWLHXDQR-HSZRJFAPSA-N 1 3 398.595 3.829 20 0 GHADHO CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000476193021 884257816 /nfs/dbraw/zinc/25/78/16/884257816.db2.gz CYBPDEDWLHXDQR-HSZRJFAPSA-N 1 3 398.595 3.829 20 0 GHADHO CSc1cccc(N(C(=O)C2CC[NH+](C3CC3)CC2)C2CCN(C)CC2)c1 ZINC000192531242 884278964 /nfs/dbraw/zinc/27/89/64/884278964.db2.gz GXOSVOBLIGOLDX-UHFFFAOYSA-N 1 3 387.593 3.710 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1NC(C)=O ZINC000192930109 884314653 /nfs/dbraw/zinc/31/46/53/884314653.db2.gz ZIRLWKHFSJIMKW-PXNSSMCTSA-N 1 3 381.520 3.826 20 0 GHADHO C[C@@H]1[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000806931293 885097623 /nfs/dbraw/zinc/09/76/23/885097623.db2.gz LCHSZOHZCRPOBS-RQJJNDFQSA-N 1 3 398.595 3.746 20 0 GHADHO C[C@H]1[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000806931291 885097851 /nfs/dbraw/zinc/09/78/51/885097851.db2.gz LCHSZOHZCRPOBS-OZRWQMGGSA-N 1 3 398.595 3.746 20 0 GHADHO C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498721411 885481883 /nfs/dbraw/zinc/48/18/83/885481883.db2.gz LFJHWXFIJSTIED-UNMCSNQZSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498721411 885481893 /nfs/dbraw/zinc/48/18/93/885481893.db2.gz LFJHWXFIJSTIED-UNMCSNQZSA-N 1 3 398.595 3.557 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccc(N4CCCC4)nc3)c3ccccc23)CC1 ZINC001170528722 885574682 /nfs/dbraw/zinc/57/46/82/885574682.db2.gz UZDCELZXSLKACD-UHFFFAOYSA-N 1 3 389.547 3.591 20 0 GHADHO FC(F)(F)Oc1cccc(N2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000532500478 885830104 /nfs/dbraw/zinc/83/01/04/885830104.db2.gz BIDALAWSHWUKQD-KRWDZBQOSA-N 1 3 383.458 3.628 20 0 GHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867507 886384611 /nfs/dbraw/zinc/38/46/11/886384611.db2.gz FELWXBNINRNOPY-IRFCIJBXSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867507 886384623 /nfs/dbraw/zinc/38/46/23/886384623.db2.gz FELWXBNINRNOPY-IRFCIJBXSA-N 1 3 375.520 3.971 20 0 GHADHO CN(CCN(Cc1ccccc1)C(=O)CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000237133060 886913287 /nfs/dbraw/zinc/91/32/87/886913287.db2.gz RIKLBGXMNMLOKQ-UHFFFAOYSA-N 1 3 379.548 3.537 20 0 GHADHO COc1cc(C[NH2+]C[C@@H](O)CN2CCC(C)CC2)c(-c2ccccc2)cc1OC ZINC000237433010 886948626 /nfs/dbraw/zinc/94/86/26/886948626.db2.gz KZGFSORFXZOROC-OAQYLSRUSA-N 1 3 398.547 3.553 20 0 GHADHO C[NH+](C)CCOC1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459348748 887540817 /nfs/dbraw/zinc/54/08/17/887540817.db2.gz MUXYRUNOQRNFGH-UHFFFAOYSA-N 1 3 397.567 3.603 20 0 GHADHO C[C@H]1CN(c2ccccc2C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459360743 887672840 /nfs/dbraw/zinc/67/28/40/887672840.db2.gz YSLQKCAMBMIFGC-JTHBVZDNSA-N 1 3 393.575 3.866 20 0 GHADHO C[C@H]1CN(c2ccccc2C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459360743 887672843 /nfs/dbraw/zinc/67/28/43/887672843.db2.gz YSLQKCAMBMIFGC-JTHBVZDNSA-N 1 3 393.575 3.866 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000050802127 887711246 /nfs/dbraw/zinc/71/12/46/887711246.db2.gz KIIVHHMISAZXPW-UHFFFAOYSA-N 1 3 393.531 3.767 20 0 GHADHO CCOc1cc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459364906 887731317 /nfs/dbraw/zinc/73/13/17/887731317.db2.gz WRMIRYXMJSPLLI-HDICACEKSA-N 1 3 376.541 3.502 20 0 GHADHO CCOc1cc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459364906 887731326 /nfs/dbraw/zinc/73/13/26/887731326.db2.gz WRMIRYXMJSPLLI-HDICACEKSA-N 1 3 376.541 3.502 20 0 GHADHO CCOc1cc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459364906 887731334 /nfs/dbraw/zinc/73/13/34/887731334.db2.gz WRMIRYXMJSPLLI-HDICACEKSA-N 1 3 376.541 3.502 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000130191235 887745036 /nfs/dbraw/zinc/74/50/36/887745036.db2.gz AGSXRLZBEAVOJB-UHFFFAOYSA-N 1 3 377.941 3.517 20 0 GHADHO CN1CCCC[C@H]1CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000801543398 921115130 /nfs/dbraw/zinc/11/51/30/921115130.db2.gz BGZYGHXFCCMDEE-KRWDZBQOSA-N 1 3 386.458 3.743 20 0 GHADHO OC1(C[NH2+]Cc2ccccc2C(F)(F)F)CCN(Cc2ccccc2)CC1 ZINC000397648090 888232921 /nfs/dbraw/zinc/23/29/21/888232921.db2.gz VTFDDYVBZPHYGO-UHFFFAOYSA-N 1 3 378.438 3.822 20 0 GHADHO Cc1cccc(N2CC[NH+](CCCCNCc3cc4c(cc[nH]c4=O)o3)CC2)c1 ZINC000865409057 888327872 /nfs/dbraw/zinc/32/78/72/888327872.db2.gz RMZKYQCCZZDNBE-UHFFFAOYSA-N 1 3 394.519 3.534 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cc4c(cc[nH]c4=O)o3)CC2)c1 ZINC000865409057 888327884 /nfs/dbraw/zinc/32/78/84/888327884.db2.gz RMZKYQCCZZDNBE-UHFFFAOYSA-N 1 3 394.519 3.534 20 0 GHADHO O=C(c1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1)N1CCCC1 ZINC000865447597 888360217 /nfs/dbraw/zinc/36/02/17/888360217.db2.gz VPDYABFUMQQRCX-QHCPKHFHSA-N 1 3 391.559 3.577 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866702936 889013028 /nfs/dbraw/zinc/01/30/28/889013028.db2.gz DYOJWGWJLPHOGR-QHCPKHFHSA-N 1 3 397.567 3.515 20 0 GHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866702936 889013041 /nfs/dbraw/zinc/01/30/41/889013041.db2.gz DYOJWGWJLPHOGR-QHCPKHFHSA-N 1 3 397.567 3.515 20 0 GHADHO O=C(CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccccc1F ZINC000644559660 913367454 /nfs/dbraw/zinc/36/74/54/913367454.db2.gz MJCBXVUGUCBYCH-IHWFROFDSA-N 1 3 381.495 3.940 20 0 GHADHO O=C(CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccc1F ZINC000644559660 913367465 /nfs/dbraw/zinc/36/74/65/913367465.db2.gz MJCBXVUGUCBYCH-IHWFROFDSA-N 1 3 381.495 3.940 20 0 GHADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000125820103 890177753 /nfs/dbraw/zinc/17/77/53/890177753.db2.gz PAURRHFQDGHYLR-BHIYHBOVSA-N 1 3 399.501 3.791 20 0 GHADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000125820103 890177759 /nfs/dbraw/zinc/17/77/59/890177759.db2.gz PAURRHFQDGHYLR-BHIYHBOVSA-N 1 3 399.501 3.791 20 0 GHADHO C[N@@H+]1CCC[C@H](CN[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325423 891488136 /nfs/dbraw/zinc/48/81/36/891488136.db2.gz DKZFTTYBZIFYRK-UYAOXDASSA-N 1 3 375.557 3.964 20 0 GHADHO C[N@H+]1CCC[C@H](CN[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325423 891488146 /nfs/dbraw/zinc/48/81/46/891488146.db2.gz DKZFTTYBZIFYRK-UYAOXDASSA-N 1 3 375.557 3.964 20 0 GHADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccccc3C[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC000497400027 891499082 /nfs/dbraw/zinc/49/90/82/891499082.db2.gz HYYVNIVQGWYUTE-AUSIDOKSSA-N 1 3 398.595 3.687 20 0 GHADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccccc3C[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC000497400027 891499090 /nfs/dbraw/zinc/49/90/90/891499090.db2.gz HYYVNIVQGWYUTE-AUSIDOKSSA-N 1 3 398.595 3.687 20 0 GHADHO FC(F)(F)CN1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000813790579 891978628 /nfs/dbraw/zinc/97/86/28/891978628.db2.gz RNIXEWSSRVVWOK-UMQXSMKFSA-N 1 3 381.486 3.798 20 0 GHADHO FC(F)(F)CN1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000813790579 891978639 /nfs/dbraw/zinc/97/86/39/891978639.db2.gz RNIXEWSSRVVWOK-UMQXSMKFSA-N 1 3 381.486 3.798 20 0 GHADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000261774724 892108127 /nfs/dbraw/zinc/10/81/27/892108127.db2.gz JBKIFRDSRDMTMY-CRAIPNDOSA-N 1 3 385.474 3.594 20 0 GHADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000262023964 892199819 /nfs/dbraw/zinc/19/98/19/892199819.db2.gz YWXIRQZEPRMZSV-SFHVURJKSA-N 1 3 397.563 3.517 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@@H]1CCN(C)C1 ZINC000645154160 913713725 /nfs/dbraw/zinc/71/37/25/913713725.db2.gz VFXAKKXPCNFYTR-DENIHFKCSA-N 1 3 386.584 3.687 20 0 GHADHO CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@@H]1CCN(C)C1 ZINC000645154160 913713740 /nfs/dbraw/zinc/71/37/40/913713740.db2.gz VFXAKKXPCNFYTR-DENIHFKCSA-N 1 3 386.584 3.687 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000533891574 893416643 /nfs/dbraw/zinc/41/66/43/893416643.db2.gz DAYCCDJPKJMWDF-XZOQPEGZSA-N 1 3 394.563 3.773 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@H](C)C1 ZINC000459411033 893472947 /nfs/dbraw/zinc/47/29/47/893472947.db2.gz IOKLWLUMBRYSBP-CRAIPNDOSA-N 1 3 390.597 3.808 20 0 GHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000536695845 893563600 /nfs/dbraw/zinc/56/36/00/893563600.db2.gz AVZXXWDGWUMZEY-QHCPKHFHSA-N 1 3 398.595 3.789 20 0 GHADHO C[C@@H]1CCC[C@@H](NC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000536714348 893590739 /nfs/dbraw/zinc/59/07/39/893590739.db2.gz XDXVGIMYGFFCOJ-XQBPLPMBSA-N 1 3 386.584 3.561 20 0 GHADHO OC1CC[NH+](CCCNC/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459475728 893617213 /nfs/dbraw/zinc/61/72/13/893617213.db2.gz QITNLXDQFKUUMS-XBXARRHUSA-N 1 3 380.532 3.715 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c(OC)cccc3SC)CC2)CC1 ZINC000563406682 893698603 /nfs/dbraw/zinc/69/86/03/893698603.db2.gz AWLXNQCYKPJDIN-UHFFFAOYSA-N 1 3 391.581 3.552 20 0 GHADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000126677966 893774921 /nfs/dbraw/zinc/77/49/21/893774921.db2.gz YHRXNDNWQAOMLH-QHCPKHFHSA-N 1 3 379.548 3.610 20 0 GHADHO C[C@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000536836463 893909599 /nfs/dbraw/zinc/90/95/99/893909599.db2.gz AUDYHLOSOSMDHC-UWJYYQICSA-N 1 3 399.510 3.612 20 0 GHADHO CC(C)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537016630 894195673 /nfs/dbraw/zinc/19/56/73/894195673.db2.gz QYZMMNIZRWMVJN-JXXFODFXSA-N 1 3 375.513 3.710 20 0 GHADHO COc1ccc(-c2ccccc2)cc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000564318688 894857740 /nfs/dbraw/zinc/85/77/40/894857740.db2.gz DYKSXMYQTGJCGS-UHFFFAOYSA-N 1 3 393.575 3.822 20 0 GHADHO CC(C)CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)CC1CC[NH+](C)CC1 ZINC000879705020 895243802 /nfs/dbraw/zinc/24/38/02/895243802.db2.gz XWXZWRHJODHKOO-UHFFFAOYSA-N 1 3 376.932 3.789 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847234 895279725 /nfs/dbraw/zinc/27/97/25/895279725.db2.gz KZDGEAOOWBZLNU-URXFXBBRSA-N 1 3 396.575 3.864 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847234 895279737 /nfs/dbraw/zinc/27/97/37/895279737.db2.gz KZDGEAOOWBZLNU-URXFXBBRSA-N 1 3 396.575 3.864 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847234 895279750 /nfs/dbraw/zinc/27/97/50/895279750.db2.gz KZDGEAOOWBZLNU-URXFXBBRSA-N 1 3 396.575 3.864 20 0 GHADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)COCc1ccccc1Cl ZINC000564845681 895280744 /nfs/dbraw/zinc/28/07/44/895280744.db2.gz VVAUHZWOJLQBRW-NRFANRHFSA-N 1 3 388.939 3.603 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccccc3N3CCCCC3)CC2)CC1 ZINC000817414358 895590979 /nfs/dbraw/zinc/59/09/79/895590979.db2.gz XGPNBBQBXQWVCH-UHFFFAOYSA-N 1 3 384.612 3.669 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3ccccc3N3CCCCC3)CC2)CC1 ZINC000817414358 895590984 /nfs/dbraw/zinc/59/09/84/895590984.db2.gz XGPNBBQBXQWVCH-UHFFFAOYSA-N 1 3 384.612 3.669 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)C2(OC)CCOCC2)ccc1OC ZINC000817587784 895758048 /nfs/dbraw/zinc/75/80/48/895758048.db2.gz HTDHOVRYOKGWPL-QZTJIDSGSA-N 1 3 378.557 3.772 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]CC2)Nc1ccccc1 ZINC000565780342 895871176 /nfs/dbraw/zinc/87/11/76/895871176.db2.gz RHMLYLBLWQTKFJ-JOCHJYFZSA-N 1 3 378.520 3.509 20 0 GHADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817982635 895990911 /nfs/dbraw/zinc/99/09/11/895990911.db2.gz USSKNFPATGXTSQ-RDTXWAMCSA-N 1 3 382.476 3.814 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@H]3C)CC2)CC1 ZINC000566441719 896315491 /nfs/dbraw/zinc/31/54/91/896315491.db2.gz JQXFAKORPIWNTO-AUSIDOKSSA-N 1 3 383.580 3.587 20 0 GHADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819283556 896527789 /nfs/dbraw/zinc/52/77/89/896527789.db2.gz KZCMLVSTYYMOLZ-UPVQGACJSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819283556 896527802 /nfs/dbraw/zinc/52/78/02/896527802.db2.gz KZCMLVSTYYMOLZ-UPVQGACJSA-N 1 3 382.548 3.545 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@]3(C)c3ccccc3)CC2)CC1 ZINC000882024155 896620982 /nfs/dbraw/zinc/62/09/82/896620982.db2.gz QOOZGTSJZSOPED-DEOSSOPVSA-N 1 3 383.580 3.721 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4ccccc4C(C)(C)C3)CC2)CC1 ZINC000567121391 896890190 /nfs/dbraw/zinc/89/01/90/896890190.db2.gz DMEAPVMKPMOWNJ-UHFFFAOYSA-N 1 3 383.580 3.503 20 0 GHADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)C1 ZINC000567521315 897221751 /nfs/dbraw/zinc/22/17/51/897221751.db2.gz ZDOCTKZJNZRDEH-TZIWHRDSSA-N 1 3 381.520 3.844 20 0 GHADHO FC(F)(F)c1cnc(NCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000567642348 897307010 /nfs/dbraw/zinc/30/70/10/897307010.db2.gz KLWYKMDPOFRUEM-NWANDNLSSA-N 1 3 376.854 3.676 20 0 GHADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883207169 897370728 /nfs/dbraw/zinc/37/07/28/897370728.db2.gz HKLBWHLWVMMOLT-YTFSRNRJSA-N 1 3 390.543 3.651 20 0 GHADHO C[C@H](N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccc(C[NH+](C)C)c1 ZINC000820813690 897541575 /nfs/dbraw/zinc/54/15/75/897541575.db2.gz ADXRROIBKRFJHW-HOTGVXAUSA-N 1 3 375.538 3.532 20 0 GHADHO CC[C@H](C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1)N(C)C ZINC001136593398 898420168 /nfs/dbraw/zinc/42/01/68/898420168.db2.gz AMJYZIMEHMOSGE-JOCHJYFZSA-N 1 3 381.564 3.897 20 0 GHADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000569673833 898874198 /nfs/dbraw/zinc/87/41/98/898874198.db2.gz SGQRKNDHGUHOPH-ZEQRLZLVSA-N 1 3 396.579 3.575 20 0 GHADHO O=C(c1ccoc1)N1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000289725192 914315248 /nfs/dbraw/zinc/31/52/48/914315248.db2.gz GJBNPJBCZZDYHQ-NRFANRHFSA-N 1 3 395.547 3.776 20 0 GHADHO CN(c1ccccc1CNCc1ccccc1-n1cccn1)C1CC[NH+](C)CC1 ZINC000120178418 899763786 /nfs/dbraw/zinc/76/37/86/899763786.db2.gz GZAJXAZYEUSAKN-UHFFFAOYSA-N 1 3 389.547 3.693 20 0 GHADHO COC[C@@H]1CCCN(Cc2cncc(C[N@@H+]3CCC[C@H](COC)CC3)c2)CC1 ZINC000572693311 900252614 /nfs/dbraw/zinc/25/26/14/900252614.db2.gz LZGYTIKYNVXOEQ-OYRHEFFESA-N 1 3 389.584 3.579 20 0 GHADHO COC[C@@H]1CCCN(Cc2cncc(C[N@H+]3CCC[C@H](COC)CC3)c2)CC1 ZINC000572693311 900252623 /nfs/dbraw/zinc/25/26/23/900252623.db2.gz LZGYTIKYNVXOEQ-OYRHEFFESA-N 1 3 389.584 3.579 20 0 GHADHO COC[C@@H]1CCC[N@@H+](Cc2cncc(CN3CCC[C@H](COC)CC3)c2)CC1 ZINC000572693311 900252638 /nfs/dbraw/zinc/25/26/38/900252638.db2.gz LZGYTIKYNVXOEQ-OYRHEFFESA-N 1 3 389.584 3.579 20 0 GHADHO COC[C@@H]1CCC[N@H+](Cc2cncc(CN3CCC[C@H](COC)CC3)c2)CC1 ZINC000572693311 900252652 /nfs/dbraw/zinc/25/26/52/900252652.db2.gz LZGYTIKYNVXOEQ-OYRHEFFESA-N 1 3 389.584 3.579 20 0 GHADHO C[NH+](C)CCc1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC001143680149 900339015 /nfs/dbraw/zinc/33/90/15/900339015.db2.gz WSNZEHKFGLKQAX-HSZRJFAPSA-N 1 3 379.548 3.748 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171120161 900751579 /nfs/dbraw/zinc/75/15/79/900751579.db2.gz DJOSEAUSQNOTSH-AKIFATBCSA-N 1 3 388.983 3.878 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171120161 900751592 /nfs/dbraw/zinc/75/15/92/900751592.db2.gz DJOSEAUSQNOTSH-AKIFATBCSA-N 1 3 388.983 3.878 20 0 GHADHO C[C@@H]([NH2+]CCc1csc(N2CCCC2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000577211664 902593604 /nfs/dbraw/zinc/59/36/04/902593604.db2.gz JJPBDFMZJYAZDK-QUCCMNQESA-N 1 3 384.593 3.786 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCC2 ZINC000846063453 902678628 /nfs/dbraw/zinc/67/86/28/902678628.db2.gz HNHDDBVAZCHTRH-RBUKOAKNSA-N 1 3 377.573 3.819 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)C1 ZINC000779020021 902985231 /nfs/dbraw/zinc/98/52/31/902985231.db2.gz RHQCLYPAUSKEOD-HLAWJBBLSA-N 1 3 387.568 3.711 20 0 GHADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)C1 ZINC000779020021 902985238 /nfs/dbraw/zinc/98/52/38/902985238.db2.gz RHQCLYPAUSKEOD-HLAWJBBLSA-N 1 3 387.568 3.711 20 0 GHADHO CC[N@H+]1CC[C@H](CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)C1 ZINC000779020021 902985242 /nfs/dbraw/zinc/98/52/42/902985242.db2.gz RHQCLYPAUSKEOD-HLAWJBBLSA-N 1 3 387.568 3.711 20 0 GHADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000290438876 914682302 /nfs/dbraw/zinc/68/23/02/914682302.db2.gz VMONRIOJCINHQJ-NQIIRXRSSA-N 1 3 384.495 3.568 20 0 GHADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000290438876 914682307 /nfs/dbraw/zinc/68/23/07/914682307.db2.gz VMONRIOJCINHQJ-NQIIRXRSSA-N 1 3 384.495 3.568 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646576113 914686163 /nfs/dbraw/zinc/68/61/63/914686163.db2.gz WRPMCJXRHRCKQY-DNQXCXABSA-N 1 3 391.559 3.819 20 0 GHADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000577790988 903196301 /nfs/dbraw/zinc/19/63/01/903196301.db2.gz XBTDLWNWJCTBMK-ROUUACIJSA-N 1 3 380.602 3.549 20 0 GHADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000577790988 903196306 /nfs/dbraw/zinc/19/63/06/903196306.db2.gz XBTDLWNWJCTBMK-ROUUACIJSA-N 1 3 380.602 3.549 20 0 GHADHO [NH3+]C[C@@H]1CN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC12CCOCC2 ZINC000578506635 903915372 /nfs/dbraw/zinc/91/53/72/903915372.db2.gz TUFQSHJKVRJQAJ-KURNWNDPSA-N 1 3 392.543 3.966 20 0 GHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]([NH3+])c4cc(C)ccc43)cc2)CC1 ZINC001149010952 904266103 /nfs/dbraw/zinc/26/61/03/904266103.db2.gz RAVLDRVFLZAUMN-QFIPXVFZSA-N 1 3 392.547 3.577 20 0 GHADHO COc1ccc(C(=O)N2CCC([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CC2)cc1 ZINC001171619286 904886637 /nfs/dbraw/zinc/88/66/37/904886637.db2.gz IIVBRUGDFSNYJY-UHFFFAOYSA-N 1 3 387.568 3.541 20 0 GHADHO C[NH+]1C(C)(C)CC(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1(C)C ZINC001171638117 904927628 /nfs/dbraw/zinc/92/76/28/904927628.db2.gz RVXDBDSVKNSSJT-RXVVDRJESA-N 1 3 389.559 3.614 20 0 GHADHO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171640315 904930668 /nfs/dbraw/zinc/93/06/68/904930668.db2.gz BVLMKHXDLGPBER-QFIPXVFZSA-N 1 3 387.612 3.861 20 0 GHADHO CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171640315 904930674 /nfs/dbraw/zinc/93/06/74/904930674.db2.gz BVLMKHXDLGPBER-QFIPXVFZSA-N 1 3 387.612 3.861 20 0 GHADHO C[NH+](C)CC[C@H](N[C@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC001171866804 905114877 /nfs/dbraw/zinc/11/48/77/905114877.db2.gz OMODNCPYEIHBER-GOTSBHOMSA-N 1 3 379.548 3.964 20 0 GHADHO C[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001171962378 905169787 /nfs/dbraw/zinc/16/97/87/905169787.db2.gz CQDQXWKQPPJTAK-HKUYNNGSSA-N 1 3 375.557 3.932 20 0 GHADHO C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001171962378 905169796 /nfs/dbraw/zinc/16/97/96/905169796.db2.gz CQDQXWKQPPJTAK-HKUYNNGSSA-N 1 3 375.557 3.932 20 0 GHADHO C[C@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001171934593 905190440 /nfs/dbraw/zinc/19/04/40/905190440.db2.gz ORPYCXTXJDWCAJ-BJRAERQBSA-N 1 3 385.596 3.709 20 0 GHADHO CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CCN1Cc1ccccc1 ZINC001171974783 905219798 /nfs/dbraw/zinc/21/97/98/905219798.db2.gz AKWYJBSGPSHSLN-VABKMULXSA-N 1 3 385.596 3.663 20 0 GHADHO O=C1NCc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cc21 ZINC001172073100 905276940 /nfs/dbraw/zinc/27/69/40/905276940.db2.gz OBTUAWRFMWEXRH-DKUWSORSSA-N 1 3 375.516 3.605 20 0 GHADHO CCOC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCS1 ZINC001172087080 905303502 /nfs/dbraw/zinc/30/35/02/905303502.db2.gz JHRKUEFQVUNVCY-PLACYPQZSA-N 1 3 388.577 3.553 20 0 GHADHO CCOC(=O)[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCS1 ZINC001172087080 905303519 /nfs/dbraw/zinc/30/35/19/905303519.db2.gz JHRKUEFQVUNVCY-PLACYPQZSA-N 1 3 388.577 3.553 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3nnc(-c4ccccc4F)n3c1)C2 ZINC001172108554 905356417 /nfs/dbraw/zinc/35/64/17/905356417.db2.gz BHPFNSBDVGCZMG-BCDXTJNWSA-N 1 3 379.483 3.640 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(S(=O)(=O)c3ccccc3)cc1)C2 ZINC001172112056 905358855 /nfs/dbraw/zinc/35/88/55/905358855.db2.gz ZZMNLJCXZLANLB-OWZKRDHZSA-N 1 3 384.545 3.624 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@@H]3COc3ccccn3)CC1)C2 ZINC001172118308 905374535 /nfs/dbraw/zinc/37/45/35/905374535.db2.gz VAGMCPQXCZKQRT-YUMYIRISSA-N 1 3 399.579 3.594 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@H]3COc3cccnc3)CC1)C2 ZINC001172118731 905375094 /nfs/dbraw/zinc/37/50/94/905375094.db2.gz YDTQMCJBPVBHKY-KJJMTIBFSA-N 1 3 399.579 3.594 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826512 905856691 /nfs/dbraw/zinc/85/66/91/905856691.db2.gz CITVDYVKAMKIDW-OFNKIYASSA-N 1 3 384.564 3.592 20 0 GHADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826512 905856699 /nfs/dbraw/zinc/85/66/99/905856699.db2.gz CITVDYVKAMKIDW-OFNKIYASSA-N 1 3 384.564 3.592 20 0 GHADHO C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178444072 906342772 /nfs/dbraw/zinc/34/27/72/906342772.db2.gz AYPULEUNHSJRIY-SFHVURJKSA-N 1 3 381.520 3.605 20 0 GHADHO Brc1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000180124045 906694068 /nfs/dbraw/zinc/69/40/68/906694068.db2.gz WFCNRAMFHGNZES-KUHUBIRLSA-N 1 3 379.342 3.527 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000180641190 906807394 /nfs/dbraw/zinc/80/73/94/906807394.db2.gz DNVSRVRCJVCKOO-BEFAXECRSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000180641190 906807403 /nfs/dbraw/zinc/80/74/03/906807403.db2.gz DNVSRVRCJVCKOO-BEFAXECRSA-N 1 3 376.447 3.705 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc2C1 ZINC000631664117 907795811 /nfs/dbraw/zinc/79/58/11/907795811.db2.gz LXXGGSXZSNKRND-QXWFJRNPSA-N 1 3 391.559 3.838 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc2C1 ZINC000631664117 907795820 /nfs/dbraw/zinc/79/58/20/907795820.db2.gz LXXGGSXZSNKRND-QXWFJRNPSA-N 1 3 391.559 3.838 20 0 GHADHO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c2ccccc2C1 ZINC000631664117 907795828 /nfs/dbraw/zinc/79/58/28/907795828.db2.gz LXXGGSXZSNKRND-QXWFJRNPSA-N 1 3 391.559 3.838 20 0 GHADHO COC(=O)CC[C@@H]1CCCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001175870374 907808428 /nfs/dbraw/zinc/80/84/28/907808428.db2.gz GAYOFKPRPQIVRX-QHCPKHFHSA-N 1 3 386.580 3.996 20 0 GHADHO COc1ccccc1[C@H]1CSCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC001175946371 907858429 /nfs/dbraw/zinc/85/84/29/907858429.db2.gz IVIPCGCDFSCLRW-OAQYLSRUSA-N 1 3 391.625 3.591 20 0 GHADHO COc1ccccc1[C@H]1CSCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC001175946371 907858443 /nfs/dbraw/zinc/85/84/43/907858443.db2.gz IVIPCGCDFSCLRW-OAQYLSRUSA-N 1 3 391.625 3.591 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3cccc4ncccc34)CC2)cc1 ZINC001177328054 908527820 /nfs/dbraw/zinc/52/78/20/908527820.db2.gz FBSAANUUBKSEIG-UHFFFAOYSA-N 1 3 388.559 3.922 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000192786564 908824698 /nfs/dbraw/zinc/82/46/98/908824698.db2.gz SIQPVBOTQWWKGX-NRFANRHFSA-N 1 3 396.579 3.727 20 0 GHADHO COCCOC[C@@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001179854349 909771034 /nfs/dbraw/zinc/77/10/34/909771034.db2.gz FGWUPRNXNJGJKA-VWNXMTODSA-N 1 3 388.596 3.910 20 0 GHADHO COCCOC[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001179854349 909771043 /nfs/dbraw/zinc/77/10/43/909771043.db2.gz FGWUPRNXNJGJKA-VWNXMTODSA-N 1 3 388.596 3.910 20 0 GHADHO CC[NH+](CC)CC1CCN(Cc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1 ZINC001180124891 909972766 /nfs/dbraw/zinc/97/27/66/909972766.db2.gz OEQDSWFBBIZTFB-UHFFFAOYSA-N 1 3 383.536 3.926 20 0 GHADHO COC(=O)COc1ccccc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001180225187 910023563 /nfs/dbraw/zinc/02/35/63/910023563.db2.gz PGKKIZYNOZPHIG-LJQANCHMSA-N 1 3 388.552 3.715 20 0 GHADHO COC(=O)COc1ccccc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001180225187 910023572 /nfs/dbraw/zinc/02/35/72/910023572.db2.gz PGKKIZYNOZPHIG-LJQANCHMSA-N 1 3 388.552 3.715 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000268822919 910034460 /nfs/dbraw/zinc/03/44/60/910034460.db2.gz YDCIEHIAXYDFOJ-YKSBVNFPSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000268822919 910034471 /nfs/dbraw/zinc/03/44/71/910034471.db2.gz YDCIEHIAXYDFOJ-YKSBVNFPSA-N 1 3 391.559 3.809 20 0 GHADHO c1ccc([C@H]2C[C@H]([NH2+]CC3(N4CCCCC4)CCOCC3)CCN2C2CC2)cc1 ZINC000638865258 910257793 /nfs/dbraw/zinc/25/77/93/910257793.db2.gz YQSKGRJUSKMWBK-ISKFKSNPSA-N 1 3 397.607 3.979 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(CC(F)(F)F)cc3)CC2)CC1 ZINC000639043887 910299274 /nfs/dbraw/zinc/29/92/74/910299274.db2.gz BPDLTKNUIMSFTJ-UHFFFAOYSA-N 1 3 383.502 3.641 20 0 GHADHO C[C@@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000270058372 910422104 /nfs/dbraw/zinc/42/21/04/910422104.db2.gz FXYDWKXNIVNKQA-WRHNGFHOSA-N 1 3 399.604 3.805 20 0 GHADHO CCn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(-c2ccccc2)n1 ZINC000641772896 911510609 /nfs/dbraw/zinc/51/06/09/911510609.db2.gz SPVKQACHLHXMIO-UHFFFAOYSA-N 1 3 389.547 3.967 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(C[C@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384483 915364201 /nfs/dbraw/zinc/36/42/01/915364201.db2.gz OMMDPDMZBHIOKW-DNQXCXABSA-N 1 3 375.560 3.609 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C[C@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384483 915364219 /nfs/dbraw/zinc/36/42/19/915364219.db2.gz OMMDPDMZBHIOKW-DNQXCXABSA-N 1 3 375.560 3.609 20 0 GHADHO CC[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000293849969 916422163 /nfs/dbraw/zinc/42/21/63/916422163.db2.gz UCIVTXFVSOEFKY-QHCPKHFHSA-N 1 3 396.531 3.671 20 0 GHADHO CC[C@](C)(NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000775386858 917328677 /nfs/dbraw/zinc/32/86/77/917328677.db2.gz HAZFKYPZAMVSMM-DEOSSOPVSA-N 1 3 379.548 3.814 20 0 GHADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1CN1CCCCC1 ZINC000775387066 917329342 /nfs/dbraw/zinc/32/93/42/917329342.db2.gz VZHLTZDYDNXDOZ-CVDCTZTESA-N 1 3 382.548 3.935 20 0 GHADHO C[C@]1(O)CCCN(Cc2cc(Cl)cc(C[N@@H+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000295875485 917567139 /nfs/dbraw/zinc/56/71/39/917567139.db2.gz CYOBUCASRBJIHX-VXKWHMMOSA-N 1 3 394.987 3.814 20 0 GHADHO C[C@]1(O)CCCN(Cc2cc(Cl)cc(C[N@H+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000295875485 917567146 /nfs/dbraw/zinc/56/71/46/917567146.db2.gz CYOBUCASRBJIHX-VXKWHMMOSA-N 1 3 394.987 3.814 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000652362915 917882547 /nfs/dbraw/zinc/88/25/47/917882547.db2.gz SPPZQFKQVIATQE-PUHATCMVSA-N 1 3 393.531 3.800 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000654587407 919236015 /nfs/dbraw/zinc/23/60/15/919236015.db2.gz SMULUFBWIHKWCQ-QFIPXVFZSA-N 1 3 383.580 3.792 20 0 GHADHO CN(Cc1cc(C[N@H+](C)C[C@@H]2CCCOC2)ccc1F)C[C@H]1CCCOC1 ZINC000297378702 919279709 /nfs/dbraw/zinc/27/97/09/919279709.db2.gz DFVYNVWSPWGCPQ-VQTJNVASSA-N 1 3 378.532 3.543 20 0 GHADHO CN(Cc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)ccc1F)C[C@H]1CCCOC1 ZINC000297378702 919279724 /nfs/dbraw/zinc/27/97/24/919279724.db2.gz DFVYNVWSPWGCPQ-VQTJNVASSA-N 1 3 378.532 3.543 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373601 919300400 /nfs/dbraw/zinc/30/04/00/919300400.db2.gz NCYGZQFNZMHVRL-PXNSSMCTSA-N 1 3 378.438 3.851 20 0 GHADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373601 919300435 /nfs/dbraw/zinc/30/04/35/919300435.db2.gz NCYGZQFNZMHVRL-PXNSSMCTSA-N 1 3 378.438 3.851 20 0 GHADHO OC1CC[NH+](Cc2ccc(CN[C@@H]3CCCc4nc(Cl)ccc43)cc2)CC1 ZINC000297806940 919802135 /nfs/dbraw/zinc/80/21/35/919802135.db2.gz QPTZFAKSVNFMNW-HXUWFJFHSA-N 1 3 385.939 3.859 20 0 GHADHO COc1cc(C[NH2+]C[C@H]2CNCCC2(F)F)c(-c2ccccc2)cc1OC ZINC000903958428 923437174 /nfs/dbraw/zinc/43/71/74/923437174.db2.gz ZYASCTKBBACXCQ-QGZVFWFLSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@@H](CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678638840 924859344 /nfs/dbraw/zinc/85/93/44/924859344.db2.gz YHHVAEOPNBOHGT-QVSSQLJNSA-N 1 3 392.628 3.900 20 0 GHADHO C[C@@H](CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678638840 924859351 /nfs/dbraw/zinc/85/93/51/924859351.db2.gz YHHVAEOPNBOHGT-QVSSQLJNSA-N 1 3 392.628 3.900 20 0 GHADHO C[C@H](CN1CCC[C@@H](C[C@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638840 924859358 /nfs/dbraw/zinc/85/93/58/924859358.db2.gz YHHVAEOPNBOHGT-QVSSQLJNSA-N 1 3 392.628 3.900 20 0 GHADHO C[C@H](CN1CCC[C@@H](C[C@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638840 924859362 /nfs/dbraw/zinc/85/93/62/924859362.db2.gz YHHVAEOPNBOHGT-QVSSQLJNSA-N 1 3 392.628 3.900 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000678926689 924975329 /nfs/dbraw/zinc/97/53/29/924975329.db2.gz KTQVIOZGOJVTPO-HSZRJFAPSA-N 1 3 395.522 3.819 20 0 GHADHO C[C@@H](CCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)[NH+]1CCCCC1 ZINC000680314370 925438607 /nfs/dbraw/zinc/43/86/07/925438607.db2.gz RINAXHQKLFUJNV-LEWJYISDSA-N 1 3 386.584 3.557 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc(Cl)n1 ZINC000827864333 926099127 /nfs/dbraw/zinc/09/91/27/926099127.db2.gz VBRYFSYWFDDDLD-IBGZPJMESA-N 1 3 392.975 3.594 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000411312103 926296493 /nfs/dbraw/zinc/29/64/93/926296493.db2.gz YPTWDWOJCXRWDM-LSDHHAIUSA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000411312103 926296499 /nfs/dbraw/zinc/29/64/99/926296499.db2.gz YPTWDWOJCXRWDM-LSDHHAIUSA-N 1 3 382.346 3.582 20 0 GHADHO C[C@H](NCCC(=O)N[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519411 926484678 /nfs/dbraw/zinc/48/46/78/926484678.db2.gz SCWMHMHOTJSXQZ-NOXFTYBFSA-N 1 3 383.580 3.813 20 0 GHADHO C[C@H](NCCC(=O)N[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519411 926484682 /nfs/dbraw/zinc/48/46/82/926484682.db2.gz SCWMHMHOTJSXQZ-NOXFTYBFSA-N 1 3 383.580 3.813 20 0 GHADHO COc1cc2c(cc1C[NH2+]Cc1ccccc1CN(C)Cc1ccco1)OCO2 ZINC000546058009 929812508 /nfs/dbraw/zinc/81/25/08/929812508.db2.gz KRDYZUORQVWZEO-UHFFFAOYSA-N 1 3 394.471 3.939 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)c(F)c1 ZINC000781419869 930836300 /nfs/dbraw/zinc/83/63/00/930836300.db2.gz FSDIOAOEQASPTH-IYRWYFENSA-N 1 3 386.486 3.889 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)c(F)c1 ZINC000781419869 930836307 /nfs/dbraw/zinc/83/63/07/930836307.db2.gz FSDIOAOEQASPTH-IYRWYFENSA-N 1 3 386.486 3.889 20 0 GHADHO c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc(OC[C@@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022254 931101271 /nfs/dbraw/zinc/10/12/71/931101271.db2.gz MGTRIHBJOWNOGT-ARNLJNQMSA-N 1 3 392.543 3.808 20 0 GHADHO c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc(OC[C@@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022254 931101276 /nfs/dbraw/zinc/10/12/76/931101276.db2.gz MGTRIHBJOWNOGT-ARNLJNQMSA-N 1 3 392.543 3.808 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000924948531 931592785 /nfs/dbraw/zinc/59/27/85/931592785.db2.gz DPNPGNWUGMLUIT-XUZZJYLKSA-N 1 3 380.580 3.651 20 0 GHADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000925857220 931923898 /nfs/dbraw/zinc/92/38/98/931923898.db2.gz UNNWLMUMZIIANB-LPHOPBHVSA-N 1 3 398.478 3.954 20 0 GHADHO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNC1CC[NH+](C(C)(C)C)CC1)O2 ZINC000926996585 932375565 /nfs/dbraw/zinc/37/55/65/932375565.db2.gz LZZKUCIBTCIJCC-ASNBIDDJSA-N 1 3 380.573 3.508 20 0 GHADHO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)n1 ZINC000927051406 932391213 /nfs/dbraw/zinc/39/12/13/932391213.db2.gz FCTSAOLGANWOPB-ZPAWYTMASA-N 1 3 380.536 3.911 20 0 GHADHO C[C@@H]1CN(c2ccccc2CNCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000559597749 932749297 /nfs/dbraw/zinc/74/92/97/932749297.db2.gz QQIKASSWAGHIBH-HXUWFJFHSA-N 1 3 379.548 3.797 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cn2ccccc2n1 ZINC000559920833 932955296 /nfs/dbraw/zinc/95/52/96/932955296.db2.gz KCJJZOPEPVOUON-FQEVSTJZSA-N 1 3 377.536 3.587 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3[C@@H](C)c3ccccc3)CC2)CC1 ZINC000928387511 932960672 /nfs/dbraw/zinc/96/06/72/932960672.db2.gz WBZZKGMOGXWDDM-GBXCKJPGSA-N 1 3 397.607 3.977 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1)C(C)C ZINC000560677929 933447700 /nfs/dbraw/zinc/44/77/00/933447700.db2.gz PMQOVTUOFACKRX-HSZRJFAPSA-N 1 3 395.547 3.736 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1)C(C)C ZINC000560677929 933447704 /nfs/dbraw/zinc/44/77/04/933447704.db2.gz PMQOVTUOFACKRX-HSZRJFAPSA-N 1 3 395.547 3.736 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC000560822952 933589097 /nfs/dbraw/zinc/58/90/97/933589097.db2.gz JYKSAWKJMSTZNP-HXUWFJFHSA-N 1 3 383.580 3.588 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C[C@@H]1C(F)(F)F ZINC001119953618 934424089 /nfs/dbraw/zinc/42/40/89/934424089.db2.gz ILFDDASEBFXQTB-JQHSSLGASA-N 1 3 390.490 3.893 20 0 GHADHO CC(=O)Nc1cc(Br)ccc1CN1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001119987990 934431266 /nfs/dbraw/zinc/43/12/66/934431266.db2.gz DFPUVZBXNHSTKR-QILLFSRXSA-N 1 3 394.357 3.570 20 0 GHADHO COC[C@]1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)OCCc2ccccc21 ZINC000562092165 934691477 /nfs/dbraw/zinc/69/14/77/934691477.db2.gz SAHWEQUCCZRUEZ-XRODADMRSA-N 1 3 394.559 3.744 20 0 GHADHO COC[C@]1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)OCCc2ccccc21 ZINC000562092165 934691483 /nfs/dbraw/zinc/69/14/83/934691483.db2.gz SAHWEQUCCZRUEZ-XRODADMRSA-N 1 3 394.559 3.744 20 0 GHADHO Cc1cccc(CN2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1F ZINC001137674820 935697562 /nfs/dbraw/zinc/69/75/62/935697562.db2.gz IBRNLTWVBUVCEJ-YPAWHYETSA-N 1 3 390.543 3.614 20 0 GHADHO Cc1nn(C)c(Cl)c1CN1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001137746747 935766257 /nfs/dbraw/zinc/76/62/57/935766257.db2.gz RZCGUOZGQMBSOD-SFHVURJKSA-N 1 3 376.932 3.852 20 0 GHADHO Cc1nn(C)c(Cl)c1CN1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001137746747 935766261 /nfs/dbraw/zinc/76/62/61/935766261.db2.gz RZCGUOZGQMBSOD-SFHVURJKSA-N 1 3 376.932 3.852 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000468750021 1015990506 /nfs/dbraw/zinc/99/05/06/1015990506.db2.gz UOZUQXMKWWZHLF-FGTMMUONSA-N 1 3 383.536 3.972 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000468750021 1015990511 /nfs/dbraw/zinc/99/05/11/1015990511.db2.gz UOZUQXMKWWZHLF-FGTMMUONSA-N 1 3 383.536 3.972 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CCN1CCOCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470950403 1016928314 /nfs/dbraw/zinc/92/83/14/1016928314.db2.gz XUTJLCGFYJVAHQ-XJFOESAGSA-N 1 3 376.385 3.548 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CCN1CCOCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470950403 1016928320 /nfs/dbraw/zinc/92/83/20/1016928320.db2.gz XUTJLCGFYJVAHQ-XJFOESAGSA-N 1 3 376.385 3.548 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOCCN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470950403 1016928323 /nfs/dbraw/zinc/92/83/23/1016928323.db2.gz XUTJLCGFYJVAHQ-XJFOESAGSA-N 1 3 376.385 3.548 20 0 GHADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOCCN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470950403 1016928328 /nfs/dbraw/zinc/92/83/28/1016928328.db2.gz XUTJLCGFYJVAHQ-XJFOESAGSA-N 1 3 376.385 3.548 20 0 GHADHO Cc1ccc(C[C@H](N)C(=O)N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(C)c1 ZINC001221002031 1032230016 /nfs/dbraw/zinc/23/00/16/1032230016.db2.gz BVXLGCBUWIGGTB-FUDKSRODSA-N 1 3 397.538 3.611 20 0 GHADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC001221296930 1032366104 /nfs/dbraw/zinc/36/61/04/1032366104.db2.gz DBTUFCVRDPIQOC-ACIOBRDBSA-N 1 3 398.595 3.728 20 0 GHADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001227435628 1032419398 /nfs/dbraw/zinc/41/93/98/1032419398.db2.gz RUDRIAFHJVVPBQ-YADHBBJMSA-N 1 3 388.600 3.661 20 0 GHADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001227435628 1032419399 /nfs/dbraw/zinc/41/93/99/1032419399.db2.gz RUDRIAFHJVVPBQ-YADHBBJMSA-N 1 3 388.600 3.661 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC001227447813 1032424156 /nfs/dbraw/zinc/42/41/56/1032424156.db2.gz VJZFFNZAUQOLBP-PZJWPPBQSA-N 1 3 388.600 3.516 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581034 1019238175 /nfs/dbraw/zinc/23/81/75/1019238175.db2.gz HAWWDBVIFIYVHI-JBACZVJFSA-N 1 3 383.536 3.737 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581034 1019238181 /nfs/dbraw/zinc/23/81/81/1019238181.db2.gz HAWWDBVIFIYVHI-JBACZVJFSA-N 1 3 383.536 3.737 20 0 GHADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1Cc1ccc(-n2cncn2)c(F)c1 ZINC000568627455 1019431178 /nfs/dbraw/zinc/43/11/78/1019431178.db2.gz AHJGUJKMOBSUQZ-UNMCSNQZSA-N 1 3 393.510 3.579 20 0 GHADHO CN(Cc1ccccc1-c1cnc(N)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001140325245 1021404473 /nfs/dbraw/zinc/40/44/73/1021404473.db2.gz MTFSELZDRDTWBY-HXUWFJFHSA-N 1 3 387.531 3.680 20 0 GHADHO CN(Cc1ccccc1-c1cnc(N)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140325245 1021404479 /nfs/dbraw/zinc/40/44/79/1021404479.db2.gz MTFSELZDRDTWBY-HXUWFJFHSA-N 1 3 387.531 3.680 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001228557942 1032986517 /nfs/dbraw/zinc/98/65/17/1032986517.db2.gz TUUPAMJKJTWBSL-IFXJQAMLSA-N 1 3 398.954 3.501 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001228557942 1032986521 /nfs/dbraw/zinc/98/65/21/1032986521.db2.gz TUUPAMJKJTWBSL-IFXJQAMLSA-N 1 3 398.954 3.501 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1c[nH]nc1C(F)(F)F)CC2 ZINC001141014398 1023211103 /nfs/dbraw/zinc/21/11/03/1023211103.db2.gz KZQUJOYSLUAOOO-MRXNPFEDSA-N 1 3 382.430 3.898 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1c[nH]nc1C(F)(F)F)CC2 ZINC001141014398 1023211116 /nfs/dbraw/zinc/21/11/16/1023211116.db2.gz KZQUJOYSLUAOOO-MRXNPFEDSA-N 1 3 382.430 3.898 20 0 GHADHO c1ccc(CCCC2CCN(Cc3ccc(N4CC[NH2+]CC4)nc3)CC2)cc1 ZINC001204884863 1033145776 /nfs/dbraw/zinc/14/57/76/1033145776.db2.gz ATPHHIHPJBXLOU-UHFFFAOYSA-N 1 3 378.564 3.726 20 0 GHADHO Cc1nccn1-c1ccc(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138544549 1024988514 /nfs/dbraw/zinc/98/85/14/1024988514.db2.gz LFGVSDJMKHXWKT-PMACEKPBSA-N 1 3 378.545 3.806 20 0 GHADHO Cc1nccn1-c1ccc(CN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138544549 1024988515 /nfs/dbraw/zinc/98/85/15/1024988515.db2.gz LFGVSDJMKHXWKT-PMACEKPBSA-N 1 3 378.545 3.806 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578904 1025058499 /nfs/dbraw/zinc/05/84/99/1025058499.db2.gz FHDMUYHZUDHTOG-IOMROCGXSA-N 1 3 381.568 3.835 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578904 1025058514 /nfs/dbraw/zinc/05/85/14/1025058514.db2.gz FHDMUYHZUDHTOG-IOMROCGXSA-N 1 3 381.568 3.835 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606206 1025093259 /nfs/dbraw/zinc/09/32/59/1025093259.db2.gz KGFZAEJNYLRNIS-ILBGXUMGSA-N 1 3 397.607 3.857 20 0 GHADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606206 1025093271 /nfs/dbraw/zinc/09/32/71/1025093271.db2.gz KGFZAEJNYLRNIS-ILBGXUMGSA-N 1 3 397.607 3.857 20 0 GHADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001229073825 1033263654 /nfs/dbraw/zinc/26/36/54/1033263654.db2.gz ONEQSWMALYRSMS-VXKWHMMOSA-N 1 3 394.563 3.538 20 0 GHADHO O=C(CN1CCCCCCC1)Nc1ccc(NC2CC[NH+](C3CC3)CC2)cc1 ZINC000838882026 1025416887 /nfs/dbraw/zinc/41/68/87/1025416887.db2.gz ADBCTZFSFOCKHR-UHFFFAOYSA-N 1 3 384.568 3.930 20 0 GHADHO C[C@H](N)c1nc2ccccc2n1-c1ncc(C(F)(F)F)cc1C1=CC[NH2+]CC1 ZINC001162762542 1025909585 /nfs/dbraw/zinc/90/95/85/1025909585.db2.gz JHWSNMSDNQJARW-LBPRGKRZSA-N 1 3 387.409 3.836 20 0 GHADHO CC1CC[NH+](CCCCNCc2ccccc2I)CC1 ZINC001461047564 1069359795 /nfs/dbraw/zinc/35/97/95/1069359795.db2.gz ZKQOWHWGMHFSGL-UHFFFAOYSA-N 1 3 386.321 3.893 20 0 GHADHO C[NH+](C)CCCN1CCN(Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC001139199255 1026042139 /nfs/dbraw/zinc/04/21/39/1026042139.db2.gz CYGFYIPJIZLBPT-UHFFFAOYSA-N 1 3 376.548 3.904 20 0 GHADHO CC(C)N1CCN(Cc2ccc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)c(F)c2)CC1 ZINC001163219980 1026092456 /nfs/dbraw/zinc/09/24/56/1026092456.db2.gz JIFWUZLNFINHMB-RPWUZVMVSA-N 1 3 396.554 3.867 20 0 GHADHO COc1ccc(-c2ccc(CN3CCC([NH+]4CCN(C)CC4)CC3)s2)cc1 ZINC001139287776 1026140711 /nfs/dbraw/zinc/14/07/11/1026140711.db2.gz QZRIQSRLQMWHAY-UHFFFAOYSA-N 1 3 385.577 3.636 20 0 GHADHO CN1CCN(C2CC[NH+](Cc3ccccc3Oc3ccc(F)cc3)CC2)CC1 ZINC001139298346 1026152336 /nfs/dbraw/zinc/15/23/36/1026152336.db2.gz GXSLYUUXSJDNIG-UHFFFAOYSA-N 1 3 383.511 3.830 20 0 GHADHO CC(C)N1CCN(c2ccc(-n3c(C[NH3+])cc4cc(Cl)ccc43)cn2)CC1 ZINC001163897128 1026353152 /nfs/dbraw/zinc/35/31/52/1026353152.db2.gz BTJQAYXCHMWSOQ-UHFFFAOYSA-N 1 3 383.927 3.668 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc4oc5ccccc5c4c3)CC[C@@H]2C1 ZINC001139751983 1026590740 /nfs/dbraw/zinc/59/07/40/1026590740.db2.gz KRFSVXJYABOVBH-NTKDMRAZSA-N 1 3 394.515 3.755 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc4oc5ccccc5c4c3)CC[C@@H]2C1 ZINC001139751983 1026590744 /nfs/dbraw/zinc/59/07/44/1026590744.db2.gz KRFSVXJYABOVBH-NTKDMRAZSA-N 1 3 394.515 3.755 20 0 GHADHO [NH3+]CCN(Cc1ccc(Cl)cc1Cl)c1ncccc1CN1CCCC1 ZINC001165109187 1026612114 /nfs/dbraw/zinc/61/21/14/1026612114.db2.gz TXQOQFCPZBNQBL-UHFFFAOYSA-N 1 3 379.335 3.950 20 0 GHADHO COc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc2c1OCO2 ZINC001209718897 1027116437 /nfs/dbraw/zinc/11/64/37/1027116437.db2.gz RDOLPNFZKRXPKD-RTWAWAEBSA-N 1 3 394.515 3.768 20 0 GHADHO COc1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc2c1OCO2 ZINC001209718897 1027116447 /nfs/dbraw/zinc/11/64/47/1027116447.db2.gz RDOLPNFZKRXPKD-RTWAWAEBSA-N 1 3 394.515 3.768 20 0 GHADHO Cc1cccn2cc(C[NH+]3CCC4(CC3)CN(Cc3cccs3)CCO4)nc12 ZINC001209735318 1027128684 /nfs/dbraw/zinc/12/86/84/1027128684.db2.gz JCADAVSPSYPCSM-UHFFFAOYSA-N 1 3 396.560 3.571 20 0 GHADHO c1ccc([C@H](CNc2cncc([C@@H]3CN4CCC3CC4)n2)[NH+]2CCCC2)cc1 ZINC001166890433 1027136605 /nfs/dbraw/zinc/13/66/05/1027136605.db2.gz ZPQMXODTDJPEFK-IRLDBZIGSA-N 1 3 377.536 3.535 20 0 GHADHO Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC001166996689 1027186902 /nfs/dbraw/zinc/18/69/02/1027186902.db2.gz ICHOORAVFLSQFR-FQEVSTJZSA-N 1 3 394.987 3.976 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cccc(F)c1)CC2 ZINC001203786489 1027604091 /nfs/dbraw/zinc/60/40/91/1027604091.db2.gz ZKRMPYMGWYROMP-QFIPXVFZSA-N 1 3 383.511 3.724 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cccc(F)c1)CC2 ZINC001203786489 1027604097 /nfs/dbraw/zinc/60/40/97/1027604097.db2.gz ZKRMPYMGWYROMP-QFIPXVFZSA-N 1 3 383.511 3.724 20 0 GHADHO COc1ccc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)cc1 ZINC001203955388 1027751494 /nfs/dbraw/zinc/75/14/94/1027751494.db2.gz MTJUBKIIDNCJDM-QFIPXVFZSA-N 1 3 380.532 3.951 20 0 GHADHO Cc1cc(F)ccc1[C@H](C)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000840888195 1027924681 /nfs/dbraw/zinc/92/46/81/1027924681.db2.gz CNSICIKXSBHBFE-KRWDZBQOSA-N 1 3 383.511 3.682 20 0 GHADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c2ccccc2)CC1 ZINC001142069867 1028023712 /nfs/dbraw/zinc/02/37/12/1028023712.db2.gz VKIWSRIEUURRHO-GOTSBHOMSA-N 1 3 383.580 3.983 20 0 GHADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c2ccccc2)CC1 ZINC001142069867 1028023725 /nfs/dbraw/zinc/02/37/25/1028023725.db2.gz VKIWSRIEUURRHO-GOTSBHOMSA-N 1 3 383.580 3.983 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cc(Cl)cc3cccnc32)C1 ZINC001461429937 1069545836 /nfs/dbraw/zinc/54/58/36/1069545836.db2.gz KKWGUDBCBNEYBD-NRFANRHFSA-N 1 3 381.907 3.745 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cc(Cl)cc3cccnc32)C1 ZINC001461429937 1069545844 /nfs/dbraw/zinc/54/58/44/1069545844.db2.gz KKWGUDBCBNEYBD-NRFANRHFSA-N 1 3 381.907 3.745 20 0 GHADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001221967397 1029910458 /nfs/dbraw/zinc/91/04/58/1029910458.db2.gz DBCLYYRUOXMGLD-OAQYLSRUSA-N 1 3 388.600 3.805 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126939 1029972003 /nfs/dbraw/zinc/97/20/03/1029972003.db2.gz HZRRCUWCPOYMTO-VXKWHMMOSA-N 1 3 386.584 3.633 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126939 1029972009 /nfs/dbraw/zinc/97/20/09/1029972009.db2.gz HZRRCUWCPOYMTO-VXKWHMMOSA-N 1 3 386.584 3.633 20 0 GHADHO Brc1ccc(CN2CCC3(CC2)C[NH2+]CCO3)c2ccccc12 ZINC001222208128 1030006042 /nfs/dbraw/zinc/00/60/42/1030006042.db2.gz KNWPVWGLPKHXMP-UHFFFAOYSA-N 1 3 375.310 3.557 20 0 GHADHO [NH3+]C1CC2(C1)CCN(Cc1cc(Br)ccc1OC(F)F)CC2 ZINC001222216112 1030011726 /nfs/dbraw/zinc/01/17/26/1030011726.db2.gz WJLUKWWMPKCHAM-UHFFFAOYSA-N 1 3 375.257 3.754 20 0 GHADHO CCOC(=O)[C@@H]1CC2(CN1Cc1ccccc1-c1ccccc1)CC[NH2+]CC2 ZINC001222226902 1030021842 /nfs/dbraw/zinc/02/18/42/1030021842.db2.gz YPLCUPPFOHTICN-QFIPXVFZSA-N 1 3 378.516 3.861 20 0 GHADHO Brc1cc2[nH]cc(C[N@@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)c2cn1 ZINC001222608563 1030231485 /nfs/dbraw/zinc/23/14/85/1030231485.db2.gz BSXTYHFWHURWCK-QGZVFWFLSA-N 1 3 397.320 3.514 20 0 GHADHO Brc1cc2[nH]cc(C[N@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)c2cn1 ZINC001222608563 1030231501 /nfs/dbraw/zinc/23/15/01/1030231501.db2.gz BSXTYHFWHURWCK-QGZVFWFLSA-N 1 3 397.320 3.514 20 0 GHADHO CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001223843396 1030777732 /nfs/dbraw/zinc/77/77/32/1030777732.db2.gz IXMBBLSYRBUKOR-LSWJPFSZSA-N 1 3 398.595 3.698 20 0 GHADHO CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001223843396 1030777751 /nfs/dbraw/zinc/77/77/51/1030777751.db2.gz IXMBBLSYRBUKOR-LSWJPFSZSA-N 1 3 398.595 3.698 20 0 GHADHO CC1(C)C[NH2+]CCc2ccc(OC[C@@H]3CN(Cc4ccccc4)CCCO3)cc21 ZINC001218342979 1030903267 /nfs/dbraw/zinc/90/32/67/1030903267.db2.gz BYYSPDGNWDYJEY-QHCPKHFHSA-N 1 3 394.559 3.780 20 0 GHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001224901154 1031169222 /nfs/dbraw/zinc/16/92/22/1031169222.db2.gz XJSJOVJPGMRNIO-JSCDHNGXSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001224901154 1031169236 /nfs/dbraw/zinc/16/92/36/1031169236.db2.gz XJSJOVJPGMRNIO-JSCDHNGXSA-N 1 3 398.595 3.728 20 0 GHADHO CN1Cc2c(NC(=O)c3ccc4c(n3)CC[NH2+]C4)cccc2[C@H](c2ccccc2)C1 ZINC001219048838 1031231245 /nfs/dbraw/zinc/23/12/45/1031231245.db2.gz JKFRLRRQFOMBLX-FQEVSTJZSA-N 1 3 398.510 3.557 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC001220250053 1031860148 /nfs/dbraw/zinc/86/01/48/1031860148.db2.gz MHNJQKLNNBYIDE-QHCPKHFHSA-N 1 3 381.564 3.820 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1ccsc1 ZINC001220611943 1032011086 /nfs/dbraw/zinc/01/10/86/1032011086.db2.gz XQNWPGCFWSANSR-IBGZPJMESA-N 1 3 392.613 3.648 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001156965288 1033345656 /nfs/dbraw/zinc/34/56/56/1033345656.db2.gz SMBONBYOPLCCBS-FPOVZHCZSA-N 1 3 399.579 3.687 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001156965288 1033345674 /nfs/dbraw/zinc/34/56/74/1033345674.db2.gz SMBONBYOPLCCBS-FPOVZHCZSA-N 1 3 399.579 3.687 20 0 GHADHO O=C(NCCCCCCC[NH+]1CCCC1)N1CCN(C2CCCCC2)CC1 ZINC001229411974 1033468489 /nfs/dbraw/zinc/46/84/89/1033468489.db2.gz QHBGVYQIXWWYHP-UHFFFAOYSA-N 1 3 378.605 3.693 20 0 GHADHO CN(C)Cc1ccc(-c2noc(C3(Cc4ccccc4F)CC[NH2+]CC3)n2)cc1 ZINC001206134634 1033733226 /nfs/dbraw/zinc/73/32/26/1033733226.db2.gz GIQPBWIDIMSLEM-UHFFFAOYSA-N 1 3 394.494 3.801 20 0 GHADHO Cc1cc(N2CCN(CCCCNC(=O)OC(C)(C)C)CC2)c2ccccc2[nH+]1 ZINC001206287335 1033783919 /nfs/dbraw/zinc/78/39/19/1033783919.db2.gz YRYGQOSRKWNOPB-UHFFFAOYSA-N 1 3 398.551 3.970 20 0 GHADHO COc1ccc(Br)c(CN2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001206750050 1033968454 /nfs/dbraw/zinc/96/84/54/1033968454.db2.gz STIVIVHGFPNUHN-UHFFFAOYSA-N 1 3 389.337 3.950 20 0 GHADHO [NH3+]C1CCN(c2cccc(NCCc3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC001158460455 1034089504 /nfs/dbraw/zinc/08/95/04/1034089504.db2.gz JMJWYQRXQKAQRR-UHFFFAOYSA-N 1 3 380.414 3.562 20 0 GHADHO CN(Cc1ccccc1)C1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207211998 1034178660 /nfs/dbraw/zinc/17/86/60/1034178660.db2.gz FEKQXHKLIHPBEA-HXUWFJFHSA-N 1 3 387.568 3.840 20 0 GHADHO CC1(C)C[C@H](C[N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CCO1 ZINC001207357246 1034301399 /nfs/dbraw/zinc/30/13/99/1034301399.db2.gz LMGCRBOBWLZFAV-AKFKNWHVSA-N 1 3 390.612 3.652 20 0 GHADHO CC1(C)C[C@H](C[N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CCO1 ZINC001207357246 1034301415 /nfs/dbraw/zinc/30/14/15/1034301415.db2.gz LMGCRBOBWLZFAV-AKFKNWHVSA-N 1 3 390.612 3.652 20 0 GHADHO O=C([C@H]1CCC[C@H](c2ccccc2)N1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158977024 1034366902 /nfs/dbraw/zinc/36/69/02/1034366902.db2.gz PZHPADBBFFTZKF-FGZHOGPDSA-N 1 3 381.564 3.737 20 0 GHADHO O=C([C@H]1CCC[C@H](c2ccccc2)N1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158977024 1034366921 /nfs/dbraw/zinc/36/69/21/1034366921.db2.gz PZHPADBBFFTZKF-FGZHOGPDSA-N 1 3 381.564 3.737 20 0 GHADHO CCCN1C[C@H]2C[NH+](CC3CC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001207808766 1034587098 /nfs/dbraw/zinc/58/70/98/1034587098.db2.gz KJMFPGFLYDKEDU-PMACEKPBSA-N 1 3 391.600 3.687 20 0 GHADHO CCC[NH+]1C[C@H]2CN(CC3CC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001207808766 1034587111 /nfs/dbraw/zinc/58/71/11/1034587111.db2.gz KJMFPGFLYDKEDU-PMACEKPBSA-N 1 3 391.600 3.687 20 0 GHADHO CC(C)Oc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001159460139 1034605751 /nfs/dbraw/zinc/60/57/51/1034605751.db2.gz AYOYLTYRYPEYBB-UHFFFAOYSA-N 1 3 378.520 3.778 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c[nH]c3cccnc13)CC2 ZINC001231490457 1034634814 /nfs/dbraw/zinc/63/48/14/1034634814.db2.gz ZMLAILGWJONCBL-NRFANRHFSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1c[nH]c3cccnc13)CC2 ZINC001231490457 1034634823 /nfs/dbraw/zinc/63/48/23/1034634823.db2.gz ZMLAILGWJONCBL-NRFANRHFSA-N 1 3 390.531 3.818 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cnccc13)CC2 ZINC001231516695 1034666936 /nfs/dbraw/zinc/66/69/36/1034666936.db2.gz KSHZEVGALWUUCH-SFHVURJKSA-N 1 3 396.560 3.880 20 0 GHADHO Cc1cnc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)cc1N ZINC001159583199 1034679301 /nfs/dbraw/zinc/67/93/01/1034679301.db2.gz XLMCSTMYYNJMFA-CQSZACIVSA-N 1 3 386.459 3.535 20 0 GHADHO CCN1CCN(c2ccc(Nc3cc(F)ccc3N3CCC([NH3+])CC3)cc2)CC1 ZINC001160080178 1034851724 /nfs/dbraw/zinc/85/17/24/1034851724.db2.gz UCYJQSZKQAOMDY-UHFFFAOYSA-N 1 3 397.542 3.639 20 0 GHADHO Cc1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cnc1F ZINC001231929121 1034995495 /nfs/dbraw/zinc/99/54/95/1034995495.db2.gz WEQMBPXLTQKLPI-NRFANRHFSA-N 1 3 383.511 3.785 20 0 GHADHO Cc1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnc1F ZINC001231929121 1034995497 /nfs/dbraw/zinc/99/54/97/1034995497.db2.gz WEQMBPXLTQKLPI-NRFANRHFSA-N 1 3 383.511 3.785 20 0 GHADHO [NH3+][C@@H](CC1CCC1)C(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160684411 1035035438 /nfs/dbraw/zinc/03/54/38/1035035438.db2.gz ULKULGHEXGYWES-ZEQRLZLVSA-N 1 3 391.559 3.807 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936221 1035103349 /nfs/dbraw/zinc/10/33/49/1035103349.db2.gz MUESGIVULCHKNA-UPVQGACJSA-N 1 3 383.580 3.622 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN(C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936221 1035103353 /nfs/dbraw/zinc/10/33/53/1035103353.db2.gz MUESGIVULCHKNA-UPVQGACJSA-N 1 3 383.580 3.622 20 0 GHADHO O=C(C1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)N1CCCCC1 ZINC001208938183 1035107059 /nfs/dbraw/zinc/10/70/59/1035107059.db2.gz XOSNBKHJPSWWIY-JOCHJYFZSA-N 1 3 383.580 3.623 20 0 GHADHO O=C(C1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCCC1 ZINC001208938183 1035107062 /nfs/dbraw/zinc/10/70/62/1035107062.db2.gz XOSNBKHJPSWWIY-JOCHJYFZSA-N 1 3 383.580 3.623 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC001208945347 1035115393 /nfs/dbraw/zinc/11/53/93/1035115393.db2.gz NAZJMSKGTPRQSC-JRFVFWCSSA-N 1 3 379.548 3.759 20 0 GHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC001208945347 1035115402 /nfs/dbraw/zinc/11/54/02/1035115402.db2.gz NAZJMSKGTPRQSC-JRFVFWCSSA-N 1 3 379.548 3.759 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208951274 1035121932 /nfs/dbraw/zinc/12/19/32/1035121932.db2.gz AYPBGJFYYATDGR-HLAWJBBLSA-N 1 3 387.568 3.744 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208951274 1035121936 /nfs/dbraw/zinc/12/19/36/1035121936.db2.gz AYPBGJFYYATDGR-HLAWJBBLSA-N 1 3 387.568 3.744 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001232147590 1035125173 /nfs/dbraw/zinc/12/51/73/1035125173.db2.gz CVIMVILBVKMUGS-OAQYLSRUSA-N 1 3 387.524 3.578 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232146680 1035125187 /nfs/dbraw/zinc/12/51/87/1035125187.db2.gz YCENBRGJUYRNKM-INIZCTEOSA-N 1 3 379.520 3.576 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232146680 1035125191 /nfs/dbraw/zinc/12/51/91/1035125191.db2.gz YCENBRGJUYRNKM-INIZCTEOSA-N 1 3 379.520 3.576 20 0 GHADHO CN(C[C@H]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952549 1035125830 /nfs/dbraw/zinc/12/58/30/1035125830.db2.gz KNIUDCFXPVBNMG-NHCUHLMSSA-N 1 3 387.568 3.697 20 0 GHADHO CN(C[C@H]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952549 1035125834 /nfs/dbraw/zinc/12/58/34/1035125834.db2.gz KNIUDCFXPVBNMG-NHCUHLMSSA-N 1 3 387.568 3.697 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001161570899 1035260355 /nfs/dbraw/zinc/26/03/55/1035260355.db2.gz LYXDJOXIWHDEDN-CTNGQTDRSA-N 1 3 389.584 3.675 20 0 GHADHO Cn1nc2ccccc2c1CN1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209537896 1035308398 /nfs/dbraw/zinc/30/83/98/1035308398.db2.gz ZCJZOJZMIJEGGW-QTGUNEKASA-N 1 3 389.547 3.701 20 0 GHADHO Cn1nc2ccccc2c1CN1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209537896 1035308404 /nfs/dbraw/zinc/30/84/04/1035308404.db2.gz ZCJZOJZMIJEGGW-QTGUNEKASA-N 1 3 389.547 3.701 20 0 GHADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccnc(OC)c2)CC3)c1 ZINC001209640144 1035340277 /nfs/dbraw/zinc/34/02/77/1035340277.db2.gz XROVYSSIDSCVMK-UHFFFAOYSA-N 1 3 381.520 3.587 20 0 GHADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccnc(OC)c2)CC3)c1 ZINC001209640144 1035340286 /nfs/dbraw/zinc/34/02/86/1035340286.db2.gz XROVYSSIDSCVMK-UHFFFAOYSA-N 1 3 381.520 3.587 20 0 GHADHO C[NH+]1CCN(Cc2cccc(-c3noc([C@@H](N)CCC4CCCCC4)n3)c2)CC1 ZINC001248243596 1035688831 /nfs/dbraw/zinc/68/88/31/1035688831.db2.gz QPZVQPWHRNOQDO-NRFANRHFSA-N 1 3 397.567 3.844 20 0 GHADHO CN1CCN(c2cccc(-c3ccc4c(c3)ncn4[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC001243669524 1036244641 /nfs/dbraw/zinc/24/46/41/1036244641.db2.gz SLYHIDXQAWSAQO-NRFANRHFSA-N 1 3 389.547 3.770 20 0 GHADHO CN1CCN(CC[NH2+][C@@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1(C)C ZINC001462148067 1070033683 /nfs/dbraw/zinc/03/36/83/1070033683.db2.gz MUXPVXJITZETJN-QFBILLFUSA-N 1 3 383.502 3.746 20 0 GHADHO O[C@@H](C[NH2+][C@H]1CCCNC1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245978773 1037103738 /nfs/dbraw/zinc/10/37/38/1037103738.db2.gz FNFCBZOKVLAYQT-LPHOPBHVSA-N 1 3 377.315 3.940 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001245977753 1037103833 /nfs/dbraw/zinc/10/38/33/1037103833.db2.gz ZYNACCFOQZGANJ-XZOQPEGZSA-N 1 3 382.454 3.652 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC001246005145 1037125096 /nfs/dbraw/zinc/12/50/96/1037125096.db2.gz NPBGNMUFCYMLNN-RBUKOAKNSA-N 1 3 380.866 3.518 20 0 GHADHO Fc1ccccc1CN1CCC([NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246184281 1037225607 /nfs/dbraw/zinc/22/56/07/1037225607.db2.gz IZNQVNLIMLHMNJ-GOTSBHOMSA-N 1 3 381.539 3.743 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC([NH2+]CC(C)(C)CN)CC1 ZINC001246249541 1037254060 /nfs/dbraw/zinc/25/40/60/1037254060.db2.gz KQSQIZJMTIGPLA-UHFFFAOYSA-N 1 3 399.373 3.782 20 0 GHADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246280814 1037273829 /nfs/dbraw/zinc/27/38/29/1037273829.db2.gz LKXRILBZDHVCDR-MERXZDIISA-N 1 3 384.605 3.856 20 0 GHADHO CCOC(=O)Cc1cccc(CN[C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)c1 ZINC001246372051 1037328193 /nfs/dbraw/zinc/32/81/93/1037328193.db2.gz BUOGXMYREMMQMC-IRLDBZIGSA-N 1 3 384.495 3.823 20 0 GHADHO CC(C)[C@@H]1C[C@@H](NCC2(c3ccccc3Br)CCOCC2)CC[NH2+]1 ZINC001246373148 1037330688 /nfs/dbraw/zinc/33/06/88/1037330688.db2.gz IHNHRRZRKYXKPC-LPHOPBHVSA-N 1 3 395.385 3.864 20 0 GHADHO COc1ccc(C2(N[C@H]3C[C@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246379401 1037336412 /nfs/dbraw/zinc/33/64/12/1037336412.db2.gz DJNLYATXVOSYOU-UGKGYDQZSA-N 1 3 379.548 3.527 20 0 GHADHO CCOC(=O)N1CCC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)CC1 ZINC001246381953 1037340493 /nfs/dbraw/zinc/34/04/93/1037340493.db2.gz VJRSUGGEMGRFOR-GOSISDBHSA-N 1 3 393.959 3.605 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H](NC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246392881 1037354572 /nfs/dbraw/zinc/35/45/72/1037354572.db2.gz PFOCXTSAKPIVFQ-PKOBYXMFSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246392881 1037354590 /nfs/dbraw/zinc/35/45/90/1037354590.db2.gz PFOCXTSAKPIVFQ-PKOBYXMFSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H](NC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246392878 1037354979 /nfs/dbraw/zinc/35/49/79/1037354979.db2.gz PFOCXTSAKPIVFQ-MJGOQNOKSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246392878 1037354997 /nfs/dbraw/zinc/35/49/97/1037354997.db2.gz PFOCXTSAKPIVFQ-MJGOQNOKSA-N 1 3 378.944 3.716 20 0 GHADHO C[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CCN1 ZINC001246403422 1037360461 /nfs/dbraw/zinc/36/04/61/1037360461.db2.gz DUNRWUCUDTUOEN-CRAIPNDOSA-N 1 3 381.358 3.519 20 0 GHADHO CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CCN1 ZINC001246417242 1037373402 /nfs/dbraw/zinc/37/34/02/1037373402.db2.gz TUSIQFUEZAZMQR-RBUKOAKNSA-N 1 3 395.385 3.909 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246422673 1037380379 /nfs/dbraw/zinc/38/03/79/1037380379.db2.gz MSHPBAXHBMXMCV-CRAIPNDOSA-N 1 3 398.469 3.996 20 0 GHADHO COc1ccccc1CC1([NH2+]C2CCN(c3cccc(F)c3)CC2)CCNCC1 ZINC001246424973 1037383392 /nfs/dbraw/zinc/38/33/92/1037383392.db2.gz IQRMTXRCEIKYRD-UHFFFAOYSA-N 1 3 397.538 3.758 20 0 GHADHO COc1ccccc1CC1(NC2CCN(c3cccc(F)c3)CC2)CC[NH2+]CC1 ZINC001246424973 1037383408 /nfs/dbraw/zinc/38/34/08/1037383408.db2.gz IQRMTXRCEIKYRD-UHFFFAOYSA-N 1 3 397.538 3.758 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H](NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246430924 1037391194 /nfs/dbraw/zinc/39/11/94/1037391194.db2.gz VYLSPYVOZIXWKH-AEFFLSMTSA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCNCC2)C1 ZINC001246430924 1037391217 /nfs/dbraw/zinc/39/12/17/1037391217.db2.gz VYLSPYVOZIXWKH-AEFFLSMTSA-N 1 3 398.469 3.692 20 0 GHADHO c1ccc2c(c1)ncnc2N1CCC[C@H](N[C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246436139 1037400021 /nfs/dbraw/zinc/40/00/21/1037400021.db2.gz UKBIMGJVXPKQFJ-OALUTQOASA-N 1 3 379.552 3.643 20 0 GHADHO CCCC[C@H](C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246496806 1037442089 /nfs/dbraw/zinc/44/20/89/1037442089.db2.gz RCVOWHAMBHXAIW-LPHOPBHVSA-N 1 3 387.524 3.706 20 0 GHADHO c1ccc(C[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2OCc2ccccn2)cc1 ZINC001246656786 1037531269 /nfs/dbraw/zinc/53/12/69/1037531269.db2.gz FJJJUVFOMJWTPH-VDWCEDTGSA-N 1 3 391.559 3.814 20 0 GHADHO c1ccc(N2CCC([N@@H+]3CC[C@@]4(c5ccccc5)CCNC[C@H]4C3)CC2)cc1 ZINC001246673098 1037540603 /nfs/dbraw/zinc/54/06/03/1037540603.db2.gz OAXZKDILSZZFAH-WIOPSUGQSA-N 1 3 375.560 3.909 20 0 GHADHO c1ccc(N2CCC([N@H+]3CC[C@@]4(c5ccccc5)CCNC[C@H]4C3)CC2)cc1 ZINC001246673098 1037540612 /nfs/dbraw/zinc/54/06/12/1037540612.db2.gz OAXZKDILSZZFAH-WIOPSUGQSA-N 1 3 375.560 3.909 20 0 GHADHO F[C@@H]1CCNC[C@]12CC[N@@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690344 1037550907 /nfs/dbraw/zinc/55/09/07/1037550907.db2.gz KIJLMXPFAJSVLV-HXJFWZBSSA-N 1 3 380.548 3.502 20 0 GHADHO F[C@@H]1CCNC[C@]12CC[N@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690344 1037550918 /nfs/dbraw/zinc/55/09/18/1037550918.db2.gz KIJLMXPFAJSVLV-HXJFWZBSSA-N 1 3 380.548 3.502 20 0 GHADHO COc1ccc(N2C[C@@]3(CCN([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246698123 1037556723 /nfs/dbraw/zinc/55/67/23/1037556723.db2.gz WPVLRRUIWPZRAX-REWPJTCUSA-N 1 3 397.563 3.579 20 0 GHADHO O=C1C[C@]2(CC[N@@H+]([C@H]3CCN[C@@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752419 1037590741 /nfs/dbraw/zinc/59/07/41/1037590741.db2.gz CCTILGVCBLADIC-JTAQYXEDSA-N 1 3 395.572 3.540 20 0 GHADHO O=C1C[C@]2(CC[N@H+]([C@H]3CCN[C@@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752419 1037590750 /nfs/dbraw/zinc/59/07/50/1037590750.db2.gz CCTILGVCBLADIC-JTAQYXEDSA-N 1 3 395.572 3.540 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246761379 1037604972 /nfs/dbraw/zinc/60/49/72/1037604972.db2.gz BBPZNLMQQFXPIQ-QOEFQVSFSA-N 1 3 391.506 3.560 20 0 GHADHO CCCC[C@@H]1C[C@@H](N2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246769034 1037610315 /nfs/dbraw/zinc/61/03/15/1037610315.db2.gz WGSBUXDYJRBSKI-JLHGSKIFSA-N 1 3 391.506 3.704 20 0 GHADHO O=C(c1ccccc1)N1CCC(C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC001246788935 1037627899 /nfs/dbraw/zinc/62/78/99/1037627899.db2.gz ICWYYTVTPKMCHL-AIZNXBIQSA-N 1 3 381.564 3.534 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246807368 1037639620 /nfs/dbraw/zinc/63/96/20/1037639620.db2.gz QQIPNNZUSOWBKE-KURKYZTESA-N 1 3 380.374 3.562 20 0 GHADHO C[C@H]1C[C@H](N2CCCN(CCOC(c3ccccc3)c3ccccc3)CC2)C[NH2+]1 ZINC001246839320 1037668112 /nfs/dbraw/zinc/66/81/12/1037668112.db2.gz SUBREZSPTSHJOS-URXFXBBRSA-N 1 3 393.575 3.551 20 0 GHADHO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246841118 1037668931 /nfs/dbraw/zinc/66/89/31/1037668931.db2.gz TTWOLXVSRUGDMA-AJSBUHFISA-N 1 3 382.548 3.895 20 0 GHADHO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246841118 1037668936 /nfs/dbraw/zinc/66/89/36/1037668936.db2.gz TTWOLXVSRUGDMA-AJSBUHFISA-N 1 3 382.548 3.895 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCN3CCc4ccccc4[C@H]3C2)CCN1 ZINC001246868287 1037685359 /nfs/dbraw/zinc/68/53/59/1037685359.db2.gz RTHJIZZGMJDWPK-NKKJXINNSA-N 1 3 379.523 3.842 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCN3CCc4ccccc4[C@H]3C2)CCN1 ZINC001246868287 1037685368 /nfs/dbraw/zinc/68/53/68/1037685368.db2.gz RTHJIZZGMJDWPK-NKKJXINNSA-N 1 3 379.523 3.842 20 0 GHADHO Brc1ccc2c(c1)C[C@H](N1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246881673 1037696875 /nfs/dbraw/zinc/69/68/75/1037696875.db2.gz VMTCTQPJYXNFJY-FCEUIQTBSA-N 1 3 397.360 3.779 20 0 GHADHO CC1(C)[N@@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246924767 1037731761 /nfs/dbraw/zinc/73/17/61/1037731761.db2.gz JQXDJLBSNFQCDG-UMEGOILYSA-N 1 3 390.527 3.691 20 0 GHADHO CC1(C)[N@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246924767 1037731785 /nfs/dbraw/zinc/73/17/85/1037731785.db2.gz JQXDJLBSNFQCDG-UMEGOILYSA-N 1 3 390.527 3.691 20 0 GHADHO CC1(C)N([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246924767 1037731804 /nfs/dbraw/zinc/73/18/04/1037731804.db2.gz JQXDJLBSNFQCDG-UMEGOILYSA-N 1 3 390.527 3.691 20 0 GHADHO FC(F)(F)[C@H]1C[C@H]([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946512 1037750820 /nfs/dbraw/zinc/75/08/20/1037750820.db2.gz NTKIKOFTESJFBQ-IAGOWNOFSA-N 1 3 375.866 3.577 20 0 GHADHO FC(F)(F)[C@H]1C[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946512 1037750841 /nfs/dbraw/zinc/75/08/41/1037750841.db2.gz NTKIKOFTESJFBQ-IAGOWNOFSA-N 1 3 375.866 3.577 20 0 GHADHO FC(F)(F)[C@H]1C[C@H](N(Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246946512 1037750859 /nfs/dbraw/zinc/75/08/59/1037750859.db2.gz NTKIKOFTESJFBQ-IAGOWNOFSA-N 1 3 375.866 3.577 20 0 GHADHO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246987240 1037812680 /nfs/dbraw/zinc/81/26/80/1037812680.db2.gz FBUPQSHFMXYCNS-VJBWXMMDSA-N 1 3 378.516 3.973 20 0 GHADHO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246987240 1037812685 /nfs/dbraw/zinc/81/26/85/1037812685.db2.gz FBUPQSHFMXYCNS-VJBWXMMDSA-N 1 3 378.516 3.973 20 0 GHADHO Fc1ccc(N2CCC(N3CCC4(CC3)[NH2+]CCc3ccccc34)CC2)cc1 ZINC001246999219 1037824588 /nfs/dbraw/zinc/82/45/88/1037824588.db2.gz ACSBUABQAUBXOA-UHFFFAOYSA-N 1 3 379.523 3.932 20 0 GHADHO CC[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccc(OC)c(OC)c1 ZINC001462214403 1070089613 /nfs/dbraw/zinc/08/96/13/1070089613.db2.gz JLPWXVCGNLWDLG-GSVIPDFHSA-N 1 3 376.541 3.778 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cncc4cnccc43)C[C@H]21 ZINC001232651809 1038440921 /nfs/dbraw/zinc/44/09/21/1038440921.db2.gz WKYQUMVPKKYRKG-NTUVXCKYSA-N 1 3 387.531 3.757 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cncc4cnccc43)C[C@H]21 ZINC001232651809 1038440990 /nfs/dbraw/zinc/44/09/90/1038440990.db2.gz WKYQUMVPKKYRKG-NTUVXCKYSA-N 1 3 387.531 3.757 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1ccc(C(C)(C)O)nc1)CC2 ZINC001232825312 1038578616 /nfs/dbraw/zinc/57/86/16/1038578616.db2.gz PYDAVUJEZZLZJH-NRFANRHFSA-N 1 3 383.536 3.779 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1ccc(C(C)(C)O)nc1)CC2 ZINC001232825312 1038578625 /nfs/dbraw/zinc/57/86/25/1038578625.db2.gz PYDAVUJEZZLZJH-NRFANRHFSA-N 1 3 383.536 3.779 20 0 GHADHO CC(C)(O)c1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232834513 1038587942 /nfs/dbraw/zinc/58/79/42/1038587942.db2.gz VPXBCKZOWKNJJX-FGZHOGPDSA-N 1 3 379.548 3.653 20 0 GHADHO CC(C)(O)c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232834513 1038587946 /nfs/dbraw/zinc/58/79/46/1038587946.db2.gz VPXBCKZOWKNJJX-FGZHOGPDSA-N 1 3 379.548 3.653 20 0 GHADHO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cccc3nccn31)CC2 ZINC001233362183 1039188168 /nfs/dbraw/zinc/18/81/68/1039188168.db2.gz RGCRUEPTSRBUKB-LJQANCHMSA-N 1 3 396.560 3.651 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1cccc3nccn31)CC2 ZINC001233362183 1039188174 /nfs/dbraw/zinc/18/81/74/1039188174.db2.gz RGCRUEPTSRBUKB-LJQANCHMSA-N 1 3 396.560 3.651 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CC1=O ZINC001254240041 1040091625 /nfs/dbraw/zinc/09/16/25/1040091625.db2.gz XAJIPKNOKYCJBQ-LJQANCHMSA-N 1 3 393.572 3.547 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CC1=O ZINC001254240041 1040091642 /nfs/dbraw/zinc/09/16/42/1040091642.db2.gz XAJIPKNOKYCJBQ-LJQANCHMSA-N 1 3 393.572 3.547 20 0 GHADHO C[C@H]1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC001254427351 1040225883 /nfs/dbraw/zinc/22/58/83/1040225883.db2.gz NMAGLAJQFWSUTO-YGWXTMFKSA-N 1 3 386.584 3.555 20 0 GHADHO COC(=O)C[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506575 1040286324 /nfs/dbraw/zinc/28/63/24/1040286324.db2.gz UKPJONDDYVXULL-JTHBVZDNSA-N 1 3 396.531 3.944 20 0 GHADHO CN1CCC[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)c(C(F)(F)F)c2)CC1 ZINC001254512168 1040290257 /nfs/dbraw/zinc/29/02/57/1040290257.db2.gz JMXJXUJCGSFBAJ-MRXNPFEDSA-N 1 3 386.458 3.837 20 0 GHADHO COc1cc(NC(=O)[C@@H]([NH2+][C@H]2CCCN(C)CC2)C(C)C)cc2ccccc21 ZINC001254514373 1040290672 /nfs/dbraw/zinc/29/06/72/1040290672.db2.gz KXDFQCJNEABVSU-AVRDEDQJSA-N 1 3 383.536 3.885 20 0 GHADHO COc1cc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)c(OC)cc1Cl ZINC001235091594 1040579608 /nfs/dbraw/zinc/57/96/08/1040579608.db2.gz QYXHAECWGZUXJO-UHFFFAOYSA-N 1 3 386.923 3.994 20 0 GHADHO COc1ccc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)c(OC)c1Cl ZINC001235090373 1040579809 /nfs/dbraw/zinc/57/98/09/1040579809.db2.gz XNTPPXGZCNPBDR-UHFFFAOYSA-N 1 3 386.923 3.994 20 0 GHADHO Ic1sccc1CN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235162454 1040654457 /nfs/dbraw/zinc/65/44/57/1040654457.db2.gz VQSLJQMKJTUMFN-AWEZNQCLSA-N 1 3 390.334 3.707 20 0 GHADHO Cc1cnc(F)c(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001235333794 1040802929 /nfs/dbraw/zinc/80/29/29/1040802929.db2.gz ZXJPEBDXNVEAFH-OAQYLSRUSA-N 1 3 383.511 3.785 20 0 GHADHO Cc1cnc(F)c(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001235333794 1040802965 /nfs/dbraw/zinc/80/29/65/1040802965.db2.gz ZXJPEBDXNVEAFH-OAQYLSRUSA-N 1 3 383.511 3.785 20 0 GHADHO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1CN1CC[C@H](C2C[NH2+]C2)C1 ZINC001235339299 1040806814 /nfs/dbraw/zinc/80/68/14/1040806814.db2.gz FPFFBMHZFNZYSD-JTQLQIEISA-N 1 3 382.348 3.774 20 0 GHADHO O=C(c1ccccc1)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255132636 1040829612 /nfs/dbraw/zinc/82/96/12/1040829612.db2.gz VDHYEFKGJWBBSV-YCAMKHIRSA-N 1 3 389.543 3.686 20 0 GHADHO O=C(c1ccccc1)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255132636 1040829620 /nfs/dbraw/zinc/82/96/20/1040829620.db2.gz VDHYEFKGJWBBSV-YCAMKHIRSA-N 1 3 389.543 3.686 20 0 GHADHO FC(F)(F)c1nn([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c1CNCC2 ZINC001255145413 1040858743 /nfs/dbraw/zinc/85/87/43/1040858743.db2.gz BNOXQKRZFNGKAI-BJWYYQGGSA-N 1 3 390.453 3.916 20 0 GHADHO FC(F)(F)c1nn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1CNCC2 ZINC001255145413 1040858759 /nfs/dbraw/zinc/85/87/59/1040858759.db2.gz BNOXQKRZFNGKAI-BJWYYQGGSA-N 1 3 390.453 3.916 20 0 GHADHO COc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c1 ZINC001255150081 1040867133 /nfs/dbraw/zinc/86/71/33/1040867133.db2.gz LNXYBTKUWBLMLK-ADYITMSISA-N 1 3 393.531 3.739 20 0 GHADHO COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c1 ZINC001255150081 1040867141 /nfs/dbraw/zinc/86/71/41/1040867141.db2.gz LNXYBTKUWBLMLK-ADYITMSISA-N 1 3 393.531 3.739 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CN(Cc4ccccc4)C[C@H]3C1)C2 ZINC001255212488 1040908096 /nfs/dbraw/zinc/90/80/96/1040908096.db2.gz KOSHQHUNTVTLNW-IACLWVNRSA-N 1 3 397.563 3.592 20 0 GHADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CN(Cc4ccccc4)C[C@H]3C1)C2 ZINC001255212488 1040908097 /nfs/dbraw/zinc/90/80/97/1040908097.db2.gz KOSHQHUNTVTLNW-IACLWVNRSA-N 1 3 397.563 3.592 20 0 GHADHO Ic1ccccc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429099 1040930405 /nfs/dbraw/zinc/93/04/05/1040930405.db2.gz XBXHZLYNJYLFFB-GJZGRUSLSA-N 1 3 384.305 3.503 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402585 1040989258 /nfs/dbraw/zinc/98/92/58/1040989258.db2.gz JUBCQUJUTQFFGR-VWNXMTODSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402585 1040989259 /nfs/dbraw/zinc/98/92/59/1040989259.db2.gz JUBCQUJUTQFFGR-VWNXMTODSA-N 1 3 383.580 3.764 20 0 GHADHO CCN(CC)C(=O)NC1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255408712 1040994796 /nfs/dbraw/zinc/99/47/96/1040994796.db2.gz AZCVKFSMHIHNSE-QFIPXVFZSA-N 1 3 386.584 3.557 20 0 GHADHO CCN(CC)C(=O)NC1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255408712 1040994797 /nfs/dbraw/zinc/99/47/97/1040994797.db2.gz AZCVKFSMHIHNSE-QFIPXVFZSA-N 1 3 386.584 3.557 20 0 GHADHO FC(F)(F)c1nn([C@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1CNCC2 ZINC001255408538 1040995095 /nfs/dbraw/zinc/99/50/95/1040995095.db2.gz NHEQTUSJODIMJL-INIZCTEOSA-N 1 3 378.442 3.775 20 0 GHADHO FC(F)(F)c1nn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CNCC2 ZINC001255408538 1040995107 /nfs/dbraw/zinc/99/51/07/1040995107.db2.gz NHEQTUSJODIMJL-INIZCTEOSA-N 1 3 378.442 3.775 20 0 GHADHO Cc1nc(F)ccc1CN1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001235807841 1041316440 /nfs/dbraw/zinc/31/64/40/1041316440.db2.gz UTUURBSPEZBJKV-SFHVURJKSA-N 1 3 389.540 3.846 20 0 GHADHO Cc1nc(F)ccc1CN1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001235807841 1041316458 /nfs/dbraw/zinc/31/64/58/1041316458.db2.gz UTUURBSPEZBJKV-SFHVURJKSA-N 1 3 389.540 3.846 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCCC[C@@]12CN(C(=O)OC(C)(C)C)CCO2 ZINC001255943511 1041430500 /nfs/dbraw/zinc/43/05/00/1041430500.db2.gz NOTICEFXMWWRBT-CNNODRBYSA-N 1 3 397.604 3.645 20 0 GHADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCCC[C@@]12CN(C(=O)OC(C)(C)C)CCO2 ZINC001255943511 1041430504 /nfs/dbraw/zinc/43/05/04/1041430504.db2.gz NOTICEFXMWWRBT-CNNODRBYSA-N 1 3 397.604 3.645 20 0 GHADHO CCOCCN([C@@H](C)CC[NH+](CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255971788 1041449248 /nfs/dbraw/zinc/44/92/48/1041449248.db2.gz KYDMKAPIAXJUFV-IBGZPJMESA-N 1 3 399.620 3.845 20 0 GHADHO CCOCC[N@H+]([C@@H](C)CCN(CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255971788 1041449250 /nfs/dbraw/zinc/44/92/50/1041449250.db2.gz KYDMKAPIAXJUFV-IBGZPJMESA-N 1 3 399.620 3.845 20 0 GHADHO CCOCC[N@@H+]([C@@H](C)CCN(CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255971788 1041449257 /nfs/dbraw/zinc/44/92/57/1041449257.db2.gz KYDMKAPIAXJUFV-IBGZPJMESA-N 1 3 399.620 3.845 20 0 GHADHO Oc1ccc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1OC(F)(F)F ZINC001235977073 1041481561 /nfs/dbraw/zinc/48/15/61/1041481561.db2.gz HXUSYPRAHIPWKJ-UHFFFAOYSA-N 1 3 392.421 3.928 20 0 GHADHO COc1ccc2c(Br)ccc(C[N@H+](C)[C@H]3CCCC[C@@H]3N)c2n1 ZINC001236215314 1041625755 /nfs/dbraw/zinc/62/57/55/1041625755.db2.gz GQELMPLYTLDOLR-HOTGVXAUSA-N 1 3 378.314 3.708 20 0 GHADHO COc1ccc2c(Br)ccc(C[N@@H+](C)[C@H]3CCCC[C@@H]3N)c2n1 ZINC001236215314 1041625760 /nfs/dbraw/zinc/62/57/60/1041625760.db2.gz GQELMPLYTLDOLR-HOTGVXAUSA-N 1 3 378.314 3.708 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236235903 1041635976 /nfs/dbraw/zinc/63/59/76/1041635976.db2.gz GHYJVXQJDYLODA-HJNYFJLDSA-N 1 3 399.579 3.571 20 0 GHADHO [NH3+]CCNC(=O)c1cccc(CN2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001236303847 1041666546 /nfs/dbraw/zinc/66/65/46/1041666546.db2.gz SJMXYMJRZSXBSJ-IBGZPJMESA-N 1 3 391.437 3.731 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](CN(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001236499374 1041741418 /nfs/dbraw/zinc/74/14/18/1041741418.db2.gz NQHXRUJEPFBVEY-SAABIXHNSA-N 1 3 394.506 3.888 20 0 GHADHO COc1cc(CN(CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236540831 1041756547 /nfs/dbraw/zinc/75/65/47/1041756547.db2.gz LGEHDYVIWYOIGE-WKILWMFISA-N 1 3 382.346 3.725 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462563806 1070368832 /nfs/dbraw/zinc/36/88/32/1070368832.db2.gz IYRICBWXXINVAS-NRSPTQNISA-N 1 3 385.552 3.954 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462563806 1070368849 /nfs/dbraw/zinc/36/88/49/1070368849.db2.gz IYRICBWXXINVAS-NRSPTQNISA-N 1 3 385.552 3.954 20 0 GHADHO COc1ccccc1CN(Cc1cnc2c(C)cccn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700609 1041841357 /nfs/dbraw/zinc/84/13/57/1041841357.db2.gz MJDHBNAGDMSHSG-MXVIHJGJSA-N 1 3 378.520 3.923 20 0 GHADHO [NH3+]CCNC(=O)c1cccc(CN2CCC(c3csc4ccccc43)CC2)c1 ZINC001236948342 1041967463 /nfs/dbraw/zinc/96/74/63/1041967463.db2.gz DCTDZEHDKKNZIF-UHFFFAOYSA-N 1 3 393.556 3.969 20 0 GHADHO COc1ccc(Cn2cc(CN3CCC(CC4CC[NH2+]CC4)CC3)cn2)cc1 ZINC001236977352 1041974922 /nfs/dbraw/zinc/97/49/22/1041974922.db2.gz WVPAEXHOEJVCCR-UHFFFAOYSA-N 1 3 382.552 3.542 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1ccccc1OCCO)CC2 ZINC001237196004 1042088417 /nfs/dbraw/zinc/08/84/17/1042088417.db2.gz ZBGFDHXYHQATBW-JOCHJYFZSA-N 1 3 384.520 3.527 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1ccccc1OCCO)CC2 ZINC001237196004 1042088425 /nfs/dbraw/zinc/08/84/25/1042088425.db2.gz ZBGFDHXYHQATBW-JOCHJYFZSA-N 1 3 384.520 3.527 20 0 GHADHO COc1cc(CN2CCC3(CC[C@@H]3[NH3+])CC2)c(OCc2ccccc2)cc1OC ZINC001237356463 1042166306 /nfs/dbraw/zinc/16/63/06/1042166306.db2.gz KIZRNPJEWAKIQF-QHCPKHFHSA-N 1 3 396.531 3.986 20 0 GHADHO FC(F)Oc1cc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)ccn1 ZINC001237613600 1042281945 /nfs/dbraw/zinc/28/19/45/1042281945.db2.gz GPOCGAUUZBDURE-UHFFFAOYSA-N 1 3 377.435 3.764 20 0 GHADHO FC(F)Oc1cc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)ccn1 ZINC001237613600 1042281948 /nfs/dbraw/zinc/28/19/48/1042281948.db2.gz GPOCGAUUZBDURE-UHFFFAOYSA-N 1 3 377.435 3.764 20 0 GHADHO NC(=O)c1cccc(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001237696471 1042330018 /nfs/dbraw/zinc/33/00/18/1042330018.db2.gz ASRHUGOVKCPZSK-UHFFFAOYSA-N 1 3 377.532 3.664 20 0 GHADHO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)C(C(C)C)=NCC4)CC[C@H]21 ZINC001237878482 1042406176 /nfs/dbraw/zinc/40/61/76/1042406176.db2.gz QVJVPJQLOSLTOX-IFMALSPDSA-N 1 3 381.564 3.767 20 0 GHADHO CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)C(C(C)C)=NCC4)CC[C@H]21 ZINC001237878482 1042406179 /nfs/dbraw/zinc/40/61/79/1042406179.db2.gz QVJVPJQLOSLTOX-IFMALSPDSA-N 1 3 381.564 3.767 20 0 GHADHO CC(C)(C)N1CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001256574029 1043548148 /nfs/dbraw/zinc/54/81/48/1043548148.db2.gz UNCKOFLDDDVROP-NFBKMPQASA-N 1 3 387.568 3.594 20 0 GHADHO CC(C)(C)N1CCC([N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001256574029 1043548160 /nfs/dbraw/zinc/54/81/60/1043548160.db2.gz UNCKOFLDDDVROP-NFBKMPQASA-N 1 3 387.568 3.594 20 0 GHADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CCN(Cc5ccncc5)CC4)[C@H]3C2)cc1 ZINC001256578649 1043550839 /nfs/dbraw/zinc/55/08/39/1043550839.db2.gz VHHVZDNEMZROPV-ZKMPZPQNSA-N 1 3 390.575 3.546 20 0 GHADHO [NH3+]Cc1cn(C2CCC(N3CCOCC3)CC2)c2cc(Br)ccc12 ZINC001256684027 1043620789 /nfs/dbraw/zinc/62/07/89/1043620789.db2.gz LYNRQPNBYRGMOL-UHFFFAOYSA-N 1 3 392.341 3.678 20 0 GHADHO CN1CC2(C1)CC[NH+](C1CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC1)CC2 ZINC001257773137 1044163627 /nfs/dbraw/zinc/16/36/27/1044163627.db2.gz HAOIDQAOPSQDRZ-UHFFFAOYSA-N 1 3 391.600 3.974 20 0 GHADHO c1csc(CN2C[C@H]3C[NH+](C4CCN(CCc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001258141828 1044427179 /nfs/dbraw/zinc/42/71/79/1044427179.db2.gz DJMJTODJMUYDPB-VXKWHMMOSA-N 1 3 395.616 3.819 20 0 GHADHO CCC[NH+](CCC)CCN1CCN(C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258426189 1044560598 /nfs/dbraw/zinc/56/05/98/1044560598.db2.gz RZHQUQJUGZKWFI-UHFFFAOYSA-N 1 3 390.591 3.534 20 0 GHADHO CCC[NH+]1CCC(N2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001258774352 1044759719 /nfs/dbraw/zinc/75/97/19/1044759719.db2.gz JKWIVHLNBZATSL-HSZRJFAPSA-N 1 3 389.559 3.619 20 0 GHADHO CCC(CC)N1CCC([NH2+][C@H](C)Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC001258863211 1044804135 /nfs/dbraw/zinc/80/41/35/1044804135.db2.gz YXORDHDVQQNOKB-MRXNPFEDSA-N 1 3 378.557 3.886 20 0 GHADHO FC(F)(F)c1cc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001279708320 1047927706 /nfs/dbraw/zinc/92/77/06/1047927706.db2.gz RQMVNUQSSJSDRI-IYBDPMFKSA-N 1 3 384.471 3.834 20 0 GHADHO FC(F)(F)c1cc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001279708320 1047927711 /nfs/dbraw/zinc/92/77/11/1047927711.db2.gz RQMVNUQSSJSDRI-IYBDPMFKSA-N 1 3 384.471 3.834 20 0 GHADHO CC1CC[NH+](CC[C@H]2CCCN2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC001308003934 1049752930 /nfs/dbraw/zinc/75/29/30/1049752930.db2.gz YZHNCTLKXLWUID-HSZRJFAPSA-N 1 3 383.580 3.548 20 0 GHADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC001308003934 1049752938 /nfs/dbraw/zinc/75/29/38/1049752938.db2.gz YZHNCTLKXLWUID-HSZRJFAPSA-N 1 3 383.580 3.548 20 0 GHADHO CC1CCN(CC[C@H]2CCC[N@H+]2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC001308003934 1049752947 /nfs/dbraw/zinc/75/29/47/1049752947.db2.gz YZHNCTLKXLWUID-HSZRJFAPSA-N 1 3 383.580 3.548 20 0 GHADHO C[N@H+](CCCNC(=O)c1cccc(CN2CCCCC2)c1)Cc1ccccc1 ZINC001290319110 1049801029 /nfs/dbraw/zinc/80/10/29/1049801029.db2.gz IPAXIZJHMXIMSC-UHFFFAOYSA-N 1 3 379.548 3.924 20 0 GHADHO C[N@@H+](CCCNC(=O)c1cccc(CN2CCCCC2)c1)Cc1ccccc1 ZINC001290319110 1049801038 /nfs/dbraw/zinc/80/10/38/1049801038.db2.gz IPAXIZJHMXIMSC-UHFFFAOYSA-N 1 3 379.548 3.924 20 0 GHADHO Cc1cc(C)c(/C=C/CNCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC001308245368 1049925135 /nfs/dbraw/zinc/92/51/35/1049925135.db2.gz WLJOVUQSWBDXCM-JXMROGBWSA-N 1 3 379.548 3.706 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC001308265363 1049931418 /nfs/dbraw/zinc/93/14/18/1049931418.db2.gz CLQHDJDWOOVMNS-MAUKXSAKSA-N 1 3 399.373 3.684 20 0 GHADHO CC(C)OCC[NH+]1CCC(NCc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC001308303326 1049943070 /nfs/dbraw/zinc/94/30/70/1049943070.db2.gz IUDXDIDOVNBFBA-UHFFFAOYSA-N 1 3 396.535 3.812 20 0 GHADHO COC(=O)/C=C/c1ccc(CNCCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001308886350 1050140426 /nfs/dbraw/zinc/14/04/26/1050140426.db2.gz LOXZTGIFPJPYQT-MDZDMXLPSA-N 1 3 382.504 3.858 20 0 GHADHO c1ccc([C@@H](CN2CC[C@@H]3OCCC[C@@H]3C2)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001333019097 1051634011 /nfs/dbraw/zinc/63/40/11/1051634011.db2.gz LELQTTMOSFSCHA-TWNZBZMVSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@@H](CN2CC[C@@H]3OCCC[C@@H]3C2)C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001333019097 1051634027 /nfs/dbraw/zinc/63/40/27/1051634027.db2.gz LELQTTMOSFSCHA-TWNZBZMVSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@H](CN2CC[C@H]3OCCC[C@H]3C2)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019097 1051634039 /nfs/dbraw/zinc/63/40/39/1051634039.db2.gz LELQTTMOSFSCHA-TWNZBZMVSA-N 1 3 398.591 3.772 20 0 GHADHO c1ccc([C@H](CN2CC[C@H]3OCCC[C@H]3C2)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019097 1051634045 /nfs/dbraw/zinc/63/40/45/1051634045.db2.gz LELQTTMOSFSCHA-TWNZBZMVSA-N 1 3 398.591 3.772 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3nc4cc(Br)ccc4o3)C[C@H]2C1 ZINC001334356594 1051933153 /nfs/dbraw/zinc/93/31/53/1051933153.db2.gz NYUJWPQWANIBLV-UMVBOHGHSA-N 1 3 378.314 3.752 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)CC(C)C ZINC001311535170 1052227977 /nfs/dbraw/zinc/22/79/77/1052227977.db2.gz XIMCJVHNZGRBHK-FYYLOGMGSA-N 1 3 388.600 3.707 20 0 GHADHO Cc1ccccc1[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC001337257371 1052433603 /nfs/dbraw/zinc/43/36/03/1052433603.db2.gz DHPKBPYALZMGNH-RUZDIDTESA-N 1 3 391.559 3.948 20 0 GHADHO CCN1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC001319903716 1055533140 /nfs/dbraw/zinc/53/31/40/1055533140.db2.gz CBKXBGJQVSJUFV-LZQZEXGQSA-N 1 3 381.358 3.991 20 0 GHADHO CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001325221412 1057292334 /nfs/dbraw/zinc/29/23/34/1057292334.db2.gz BBJKRSMUDBDNRW-NRFANRHFSA-N 1 3 395.551 3.734 20 0 GHADHO Cn1cc(-c2ccc(CNCc3ccc(OCCC[NH+](C)C)cc3)cc2)cn1 ZINC001339599682 1059336155 /nfs/dbraw/zinc/33/61/55/1059336155.db2.gz MXRCVNDDDMVYPM-UHFFFAOYSA-N 1 3 378.520 3.707 20 0 GHADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001435064529 1062261961 /nfs/dbraw/zinc/26/19/61/1062261961.db2.gz LGJPSTRSRKSYMZ-QFIPXVFZSA-N 1 3 377.548 3.570 20 0 GHADHO CC[NH+]1CCC(C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)(c2ccccc2)CC1 ZINC001455689189 1062264356 /nfs/dbraw/zinc/26/43/56/1062264356.db2.gz NNCBMPAEQLWJTP-FQEVSTJZSA-N 1 3 383.580 3.515 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)N(C)C)cc1 ZINC001457464159 1063198071 /nfs/dbraw/zinc/19/80/71/1063198071.db2.gz NNANUWOKMPEGAA-ZRBLBEILSA-N 1 3 379.548 3.661 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)N(C)C)cc1 ZINC001457464159 1063198080 /nfs/dbraw/zinc/19/80/80/1063198080.db2.gz NNANUWOKMPEGAA-ZRBLBEILSA-N 1 3 379.548 3.661 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@H+](CCc1ccccc1)C1CCCC1)c1ccccc1 ZINC001459446980 1064100654 /nfs/dbraw/zinc/10/06/54/1064100654.db2.gz BOQLTVCRZCVSBC-XMMPIXPASA-N 1 3 393.575 3.893 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@@H+](CCc1ccccc1)C1CCCC1)c1ccccc1 ZINC001459446980 1064100658 /nfs/dbraw/zinc/10/06/58/1064100658.db2.gz BOQLTVCRZCVSBC-XMMPIXPASA-N 1 3 393.575 3.893 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905724 1064265556 /nfs/dbraw/zinc/26/55/56/1064265556.db2.gz LPYAZWMUPSFIRC-VWNXMTODSA-N 1 3 379.548 3.503 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905724 1064265562 /nfs/dbraw/zinc/26/55/62/1064265562.db2.gz LPYAZWMUPSFIRC-VWNXMTODSA-N 1 3 379.548 3.503 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@H](C)C1 ZINC001200459980 1066291678 /nfs/dbraw/zinc/29/16/78/1066291678.db2.gz RDZFTVSYIGJSCR-MJGOQNOKSA-N 1 3 394.629 3.668 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)c1ccsc1 ZINC001467663779 1067406106 /nfs/dbraw/zinc/40/61/06/1067406106.db2.gz HIYKMWLTWDHUQY-FBBABVLZSA-N 1 3 394.629 3.941 20 0 GHADHO CC1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001468004880 1067561081 /nfs/dbraw/zinc/56/10/81/1067561081.db2.gz QRYBRLPJAWBFBH-QFIPXVFZSA-N 1 3 398.595 3.701 20 0 GHADHO CC(C)[NH+]1CCC(CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC001468023898 1067570210 /nfs/dbraw/zinc/57/02/10/1067570210.db2.gz NUTNTKRVVYEOTR-IBGZPJMESA-N 1 3 392.613 3.695 20 0 GHADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC001468387969 1067713802 /nfs/dbraw/zinc/71/38/02/1067713802.db2.gz OMNUMRCJTUSKEX-QFIPXVFZSA-N 1 3 398.595 3.792 20 0 GHADHO CC(C)[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000849104980 1067729909 /nfs/dbraw/zinc/72/99/09/1067729909.db2.gz JOTKVYXGWWHYCK-QFIPXVFZSA-N 1 3 379.552 3.600 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001468872193 1067914601 /nfs/dbraw/zinc/91/46/01/1067914601.db2.gz GWFLPOLHVQUKJY-GGAORHGYSA-N 1 3 398.595 3.920 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001468872193 1067914607 /nfs/dbraw/zinc/91/46/07/1067914607.db2.gz GWFLPOLHVQUKJY-GGAORHGYSA-N 1 3 398.595 3.920 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001477905980 1078621480 /nfs/dbraw/zinc/62/14/80/1078621480.db2.gz MVDLFZPCQJNFAR-HXUWFJFHSA-N 1 3 388.600 3.879 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC001469319543 1068100576 /nfs/dbraw/zinc/10/05/76/1068100576.db2.gz VAOPIDVNULIFAL-IFMALSPDSA-N 1 3 386.584 3.557 20 0 GHADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001469706620 1068325410 /nfs/dbraw/zinc/32/54/10/1068325410.db2.gz JEIXGTMFSDFWEP-UNMCSNQZSA-N 1 3 388.600 3.516 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001472607769 1073572572 /nfs/dbraw/zinc/57/25/72/1073572572.db2.gz BTMBODNLCGGYIC-LJQANCHMSA-N 1 3 393.453 3.800 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC001473490161 1073987160 /nfs/dbraw/zinc/98/71/60/1073987160.db2.gz WHCWLSZBJPLVSP-PZJWPPBQSA-N 1 3 387.568 3.934 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](CN1CCC[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001473569395 1074020713 /nfs/dbraw/zinc/02/07/13/1074020713.db2.gz LRDPKPSMULVUBC-DNQXCXABSA-N 1 3 389.547 3.831 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](CN1CCC[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001473569395 1074020719 /nfs/dbraw/zinc/02/07/19/1074020719.db2.gz LRDPKPSMULVUBC-DNQXCXABSA-N 1 3 389.547 3.831 20 0 GHADHO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001473586158 1074033367 /nfs/dbraw/zinc/03/33/67/1074033367.db2.gz DZZXXSLACYLBIV-UHFFFAOYSA-N 1 3 376.545 3.679 20 0 GHADHO CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC001473586158 1074033375 /nfs/dbraw/zinc/03/33/75/1074033375.db2.gz DZZXXSLACYLBIV-UHFFFAOYSA-N 1 3 376.545 3.679 20 0 GHADHO c1cc2cc(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)ccc2[nH]1 ZINC001473939942 1074212234 /nfs/dbraw/zinc/21/22/34/1074212234.db2.gz HRMJCJHGFWWXEX-UHFFFAOYSA-N 1 3 376.548 3.856 20 0 GHADHO CCOc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1OCC(C)C ZINC001474068471 1074253423 /nfs/dbraw/zinc/25/34/23/1074253423.db2.gz XUUMANJTLANMSW-SFTDATJTSA-N 1 3 390.568 3.588 20 0 GHADHO COc1cc(CNCC2(SC)CC[NH+](C)CC2)c(F)cc1Br ZINC001474165889 1074281529 /nfs/dbraw/zinc/28/15/29/1074281529.db2.gz JVVHALNPEKOXJL-UHFFFAOYSA-N 1 3 391.350 3.514 20 0 GHADHO CN(C)Cc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)c2c1OC(F)(F)O2 ZINC001474212138 1074295553 /nfs/dbraw/zinc/29/55/53/1074295553.db2.gz NFRDERPOTXIVPA-GOSISDBHSA-N 1 3 395.494 3.566 20 0 GHADHO CN(C)Cc1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)c2c1OC(F)(F)O2 ZINC001474212138 1074295563 /nfs/dbraw/zinc/29/55/63/1074295563.db2.gz NFRDERPOTXIVPA-GOSISDBHSA-N 1 3 395.494 3.566 20 0 GHADHO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001474387404 1074379402 /nfs/dbraw/zinc/37/94/02/1074379402.db2.gz PNGCABRLDLEIFU-RGCMJDONSA-N 1 3 399.579 3.932 20 0 GHADHO CCCC[N@H+](C)CCn1c([C@@H](C)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001500407320 1079598650 /nfs/dbraw/zinc/59/86/50/1079598650.db2.gz ITFDIZKRIHFUSB-IBGZPJMESA-N 1 3 390.620 3.588 20 0 GHADHO CCCC[N@@H+](C)CCn1c([C@@H](C)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001500407320 1079598657 /nfs/dbraw/zinc/59/86/57/1079598657.db2.gz ITFDIZKRIHFUSB-IBGZPJMESA-N 1 3 390.620 3.588 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820649475 606211589 /nfs/dbraw/zinc/21/15/89/606211589.db2.gz MBKSJMLIZNCBPI-HZPDHXFCSA-N 1 3 396.564 3.696 20 0 GHADHO CCC1(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000825170810 607819982 /nfs/dbraw/zinc/81/99/82/607819982.db2.gz HXFDEFHCFVCSOK-UHFFFAOYSA-N 1 3 396.564 3.710 20 0 GHADHO CCC1(C[NH2+]Cc2cc(-c3nn[n-]n3)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000825170810 607819983 /nfs/dbraw/zinc/81/99/83/607819983.db2.gz HXFDEFHCFVCSOK-UHFFFAOYSA-N 1 3 396.564 3.710 20 0 GHADHO c1cc2c(cc1-c1nnn[n-]1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000826517425 608516779 /nfs/dbraw/zinc/51/67/79/608516779.db2.gz BTTMPWKAFDYWII-GRERDSQWSA-N 1 3 380.540 3.631 20 0 GHADHO c1cc2c(cc1-c1nn[n-]n1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000826517425 608516781 /nfs/dbraw/zinc/51/67/81/608516781.db2.gz BTTMPWKAFDYWII-GRERDSQWSA-N 1 3 380.540 3.631 20 0 GHADHO Cc1cccc(N(c2ccc(CN3CCCC3)cn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777696 721329857 /nfs/dbraw/zinc/32/98/57/721329857.db2.gz PGHUAICSHDQEOU-VWNXMTODSA-N 1 3 392.547 3.645 20 0 GHADHO COc1cccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cc(F)ccc2OC)c1 ZINC000647549611 837511745 /nfs/dbraw/zinc/51/17/45/837511745.db2.gz JYFWTDXZVIUXDA-NHCDEPBKSA-N 1 3 384.495 3.910 20 0 GHADHO COc1cc([C@@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC(C)C ZINC000655685448 837668330 /nfs/dbraw/zinc/66/83/30/837668330.db2.gz DJVDSJMROKIVLW-XLIONFOSSA-N 1 3 376.541 3.776 20 0 GHADHO COc1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)c(OC)c1 ZINC000584411403 834546605 /nfs/dbraw/zinc/54/66/05/834546605.db2.gz GTCKZGOZCIPFMV-HZPDHXFCSA-N 1 3 387.549 3.649 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000650723748 834704865 /nfs/dbraw/zinc/70/48/65/834704865.db2.gz STTDGYPSOFNXQH-UWWQBHOKSA-N 1 3 390.421 3.628 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C(F)F)nc1 ZINC000657873360 834859870 /nfs/dbraw/zinc/85/98/70/834859870.db2.gz MASBJKBEGRASSW-OAHLLOKOSA-N 1 3 375.463 3.827 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3c(C)oc4ccccc43)CC2)CC1 ZINC000583882074 835190710 /nfs/dbraw/zinc/19/07/10/835190710.db2.gz UJKPIWKNLCUDAK-UHFFFAOYSA-N 1 3 397.563 3.596 20 0 GHADHO COc1cc(C)c([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000132628121 835392606 /nfs/dbraw/zinc/39/26/06/835392606.db2.gz BOXGPLUXRZWBRU-SFHVURJKSA-N 1 3 398.547 3.820 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000151383397 835403413 /nfs/dbraw/zinc/40/34/13/835403413.db2.gz CGSPCSHRCBYEIR-HXUWFJFHSA-N 1 3 397.611 3.594 20 0 GHADHO COc1cc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1SC ZINC000658135642 835443781 /nfs/dbraw/zinc/44/37/81/835443781.db2.gz AEPRCMNDUZUGMN-OXJNMPFZSA-N 1 3 386.561 3.835 20 0 GHADHO COc1cc([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1SC ZINC000658135642 835443786 /nfs/dbraw/zinc/44/37/86/835443786.db2.gz AEPRCMNDUZUGMN-OXJNMPFZSA-N 1 3 386.561 3.835 20 0 GHADHO COCCc1nc(C)c([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000658165769 835481404 /nfs/dbraw/zinc/48/14/04/835481404.db2.gz LSGQWWLHDFKNJR-INIZCTEOSA-N 1 3 388.581 3.598 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000658166828 835481562 /nfs/dbraw/zinc/48/15/62/835481562.db2.gz PNXZELZMZFDFIL-KRWDZBQOSA-N 1 3 392.547 3.874 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccco3)c3ccccc3)CC2)CC1 ZINC000584181669 835733596 /nfs/dbraw/zinc/73/35/96/835733596.db2.gz FGDDVBJRNPFNEN-HSZRJFAPSA-N 1 3 395.547 3.682 20 0 GHADHO C[C@@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000584468042 836038788 /nfs/dbraw/zinc/03/87/88/836038788.db2.gz VQWRLPKQROEKJA-DENIHFKCSA-N 1 3 379.548 3.836 20 0 GHADHO C[C@H]1C[NH+](CC2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000092587333 844121489 /nfs/dbraw/zinc/12/14/89/844121489.db2.gz KQYHDVMCYMTKQB-IRXDYDNUSA-N 1 3 386.515 3.537 20 0 GHADHO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548481425 844131599 /nfs/dbraw/zinc/13/15/99/844131599.db2.gz FATUSADZLLHWGV-SXLOBPIMSA-N 1 3 397.950 3.946 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000500863846 844184601 /nfs/dbraw/zinc/18/46/01/844184601.db2.gz HDXJYCLONBPQNW-OALUTQOASA-N 1 3 380.602 3.695 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000500863846 844184608 /nfs/dbraw/zinc/18/46/08/844184608.db2.gz HDXJYCLONBPQNW-OALUTQOASA-N 1 3 380.602 3.695 20 0 GHADHO C[C@@H](NCc1cccc(N2CCCC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000155275592 836726981 /nfs/dbraw/zinc/72/69/81/836726981.db2.gz ZHLKKCCXLGJXOR-GOSISDBHSA-N 1 3 381.520 3.605 20 0 GHADHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(C(=O)OC)cc1 ZINC000414296910 836961942 /nfs/dbraw/zinc/96/19/42/836961942.db2.gz FTKBFBVOJCPDLW-QFIPXVFZSA-N 1 3 396.531 3.541 20 0 GHADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000186165111 837074386 /nfs/dbraw/zinc/07/43/86/837074386.db2.gz WINAATVFCMVDKP-QNGMFEMESA-N 1 3 392.609 3.790 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1 ZINC000659028003 837292839 /nfs/dbraw/zinc/29/28/39/837292839.db2.gz KOMCUAAPZQEQKM-FGZHOGPDSA-N 1 3 396.535 3.552 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000659032910 837319812 /nfs/dbraw/zinc/31/98/12/837319812.db2.gz SVVOOVKHBXOCRP-JOCHJYFZSA-N 1 3 396.535 3.511 20 0 GHADHO CCSc1ccc(Cl)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000177448460 837996348 /nfs/dbraw/zinc/99/63/48/837996348.db2.gz MKIWMVZAGCNBHL-UHFFFAOYSA-N 1 3 396.000 3.740 20 0 GHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)C1 ZINC000643083066 839145063 /nfs/dbraw/zinc/14/50/63/839145063.db2.gz PXGYTOPUESNEGE-GGAORHGYSA-N 1 3 393.531 3.657 20 0 GHADHO CC[NH+]1CCC(NC[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000580304702 839215513 /nfs/dbraw/zinc/21/55/13/839215513.db2.gz TWWQZSTWDSDITP-UPVQGACJSA-N 1 3 382.548 3.536 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OCC ZINC000415107707 839219490 /nfs/dbraw/zinc/21/94/90/839219490.db2.gz LJLGJKSXTTUMIG-OFNKIYASSA-N 1 3 390.568 3.983 20 0 GHADHO CCCOc1c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cccc1OCC ZINC000415126581 839248914 /nfs/dbraw/zinc/24/89/14/839248914.db2.gz PQLXUWWSWVYRMM-PZJWPPBQSA-N 1 3 376.541 3.592 20 0 GHADHO CN(CCCO)C1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC001167398844 839545581 /nfs/dbraw/zinc/54/55/81/839545581.db2.gz ZDOIOQGXJHMXSN-UHFFFAOYSA-N 1 3 388.474 3.643 20 0 GHADHO C[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000759859378 840230224 /nfs/dbraw/zinc/23/02/24/840230224.db2.gz ROEXTKJCKTUJHU-DYESRHJHSA-N 1 3 376.903 3.966 20 0 GHADHO C[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000759859378 840230229 /nfs/dbraw/zinc/23/02/29/840230229.db2.gz ROEXTKJCKTUJHU-DYESRHJHSA-N 1 3 376.903 3.966 20 0 GHADHO CN(CCCN(C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)Cc1ccco1 ZINC000418500142 840327814 /nfs/dbraw/zinc/32/78/14/840327814.db2.gz NXSXGVLLPNTJBY-QFIPXVFZSA-N 1 3 394.519 3.596 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417312594 840710076 /nfs/dbraw/zinc/71/00/76/840710076.db2.gz SQHKCSPMKXSSBD-JRGCBEDISA-N 1 3 397.588 3.856 20 0 GHADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)c2ccc(Br)cc2)CC1 ZINC000500092204 841415677 /nfs/dbraw/zinc/41/56/77/841415677.db2.gz VLMZYELIBOHHKL-UHFFFAOYSA-N 1 3 382.390 3.690 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000500139315 841511646 /nfs/dbraw/zinc/51/16/46/841511646.db2.gz MXVBRVKODPQKGA-QFIPXVFZSA-N 1 3 382.552 3.631 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)c1ccco1 ZINC000418168028 841606482 /nfs/dbraw/zinc/60/64/82/841606482.db2.gz NLRPFACTDHGLTB-ZLGUVYLKSA-N 1 3 394.519 3.861 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(CC(C)C)CCCC3)CC2)CC1 ZINC000581735457 842118036 /nfs/dbraw/zinc/11/80/36/842118036.db2.gz QMAUKVXEIVVZAY-UHFFFAOYSA-N 1 3 377.617 3.905 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)N1CCC(c2cccc(S(C)(=O)=O)c2)CC1 ZINC001167836173 842324647 /nfs/dbraw/zinc/32/46/47/842324647.db2.gz WVHZOWDWALRUFJ-GOSISDBHSA-N 1 3 380.598 3.780 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)cc1 ZINC000512068065 842394500 /nfs/dbraw/zinc/39/45/00/842394500.db2.gz POAISPSOPBAXTP-ARJAWSKDSA-N 1 3 399.485 3.593 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000510488635 842559159 /nfs/dbraw/zinc/55/91/59/842559159.db2.gz IDGLXQQQLPEIGV-UHFFFAOYSA-N 1 3 381.476 3.687 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000178257309 861345692 /nfs/dbraw/zinc/34/56/92/861345692.db2.gz AHVHUNPAFLQWBX-CQSZACIVSA-N 1 3 399.457 3.766 20 0 GHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc(OCC(F)F)cc3)CC2)C[C@H](C)O1 ZINC000512181439 842801853 /nfs/dbraw/zinc/80/18/53/842801853.db2.gz BWZGQDMEIBXCQS-IRXDYDNUSA-N 1 3 382.495 3.652 20 0 GHADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)C[C@H](C)O1 ZINC000512181439 842801861 /nfs/dbraw/zinc/80/18/61/842801861.db2.gz BWZGQDMEIBXCQS-IRXDYDNUSA-N 1 3 382.495 3.652 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000662295106 843086700 /nfs/dbraw/zinc/08/67/00/843086700.db2.gz FFJPXUIVCNGBHZ-ZWOKBUDYSA-N 1 3 383.536 3.710 20 0 GHADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc21 ZINC000662348088 843154901 /nfs/dbraw/zinc/15/49/01/843154901.db2.gz NPLQSVFTNTXUAG-AZUAARDMSA-N 1 3 383.561 3.694 20 0 GHADHO c1c(C2CCN(Cc3cnc4ccccc4c3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662328016 843156041 /nfs/dbraw/zinc/15/60/41/843156041.db2.gz XOVKDMKWXNLWDG-UHFFFAOYSA-N 1 3 375.520 3.805 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccsc1 ZINC000662383871 843181909 /nfs/dbraw/zinc/18/19/09/843181909.db2.gz HPSLHQLVBCLCQM-RXVVDRJESA-N 1 3 385.577 3.940 20 0 GHADHO CCN(CCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000512241869 843193670 /nfs/dbraw/zinc/19/36/70/843193670.db2.gz HQVXUZQMLJPFMN-FQEVSTJZSA-N 1 3 383.502 3.859 20 0 GHADHO CCN(CCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000512241869 843193672 /nfs/dbraw/zinc/19/36/72/843193672.db2.gz HQVXUZQMLJPFMN-FQEVSTJZSA-N 1 3 383.502 3.859 20 0 GHADHO C[C@@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000162930718 843376904 /nfs/dbraw/zinc/37/69/04/843376904.db2.gz XAMZBRRFCPFROT-OXQOHEQNSA-N 1 3 396.453 3.728 20 0 GHADHO C[C@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000162930588 843376978 /nfs/dbraw/zinc/37/69/78/843376978.db2.gz XAMZBRRFCPFROT-OXJNMPFZSA-N 1 3 396.453 3.728 20 0 GHADHO Cn1c2ccc(C[NH2+]CC3CCN(Cc4ccccc4Cl)CC3)cc2oc1=O ZINC000510795543 843494261 /nfs/dbraw/zinc/49/42/61/843494261.db2.gz KAGVXPMMAMGATH-UHFFFAOYSA-N 1 3 399.922 3.787 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512397635 843655903 /nfs/dbraw/zinc/65/59/03/843655903.db2.gz GXDZCFNAILBWLD-RBBKRZOGSA-N 1 3 388.600 3.516 20 0 GHADHO CC(C)CN(CCN(C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512397635 843655909 /nfs/dbraw/zinc/65/59/09/843655909.db2.gz GXDZCFNAILBWLD-RBBKRZOGSA-N 1 3 388.600 3.516 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000673708201 861451594 /nfs/dbraw/zinc/45/15/94/861451594.db2.gz TWUXLCCLXALKGZ-UHFFFAOYSA-N 1 3 388.600 3.721 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237591056 843957362 /nfs/dbraw/zinc/95/73/62/843957362.db2.gz VZYWUTMEIILHGY-UWJYYQICSA-N 1 3 383.561 3.818 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000536235458 844006839 /nfs/dbraw/zinc/00/68/39/844006839.db2.gz WYWFXOWXGSORKJ-FCHUYYIVSA-N 1 3 386.584 3.585 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000536235458 844006848 /nfs/dbraw/zinc/00/68/48/844006848.db2.gz WYWFXOWXGSORKJ-FCHUYYIVSA-N 1 3 386.584 3.585 20 0 GHADHO CN(C)Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C[NH+](C)C ZINC000549923508 844639750 /nfs/dbraw/zinc/63/97/50/844639750.db2.gz WJEWWCBPEUBABX-UHFFFAOYSA-N 1 3 396.535 3.557 20 0 GHADHO C[NH+](C)CC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(C)(C)C ZINC000522479844 861486681 /nfs/dbraw/zinc/48/66/81/861486681.db2.gz QMPLSMIQOMROMM-QUCCMNQESA-N 1 3 377.548 3.520 20 0 GHADHO OCC[NH+]1CCC(CN[C@@H](c2ccccc2)c2ccc3ccccc3n2)CC1 ZINC000512637433 844848594 /nfs/dbraw/zinc/84/85/94/844848594.db2.gz VTUUZUYEPGSHLO-DEOSSOPVSA-N 1 3 375.516 3.618 20 0 GHADHO Cc1noc(C[C@@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c2ccccc2)n1 ZINC000277151893 844870647 /nfs/dbraw/zinc/87/06/47/844870647.db2.gz QHTRALLADXZZHJ-HTAPYJJXSA-N 1 3 394.519 3.953 20 0 GHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000513361685 845281679 /nfs/dbraw/zinc/28/16/79/845281679.db2.gz MTVWZWYIIPSZLV-QHCPKHFHSA-N 1 3 377.532 3.677 20 0 GHADHO COc1ccc(NC(=O)[C@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179391984 861560786 /nfs/dbraw/zinc/56/07/86/861560786.db2.gz DGKYERZVVRCLNJ-SFHVURJKSA-N 1 3 396.535 3.656 20 0 GHADHO O=[S@](CCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000433179950 845616586 /nfs/dbraw/zinc/61/65/86/845616586.db2.gz ZDCYPQCSDDJKEV-HHHXNRCGSA-N 1 3 382.573 3.782 20 0 GHADHO CC[N@@H+]1CCC[C@@H](CN(C)Cc2cccc(OC(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000434011001 845724459 /nfs/dbraw/zinc/72/44/59/845724459.db2.gz GULDUGXEXAZNTA-FXAWDEMLSA-N 1 3 392.494 3.927 20 0 GHADHO CC[N@H+]1CCC[C@@H](CN(C)Cc2cccc(OC(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000434011001 845724464 /nfs/dbraw/zinc/72/44/64/845724464.db2.gz GULDUGXEXAZNTA-FXAWDEMLSA-N 1 3 392.494 3.927 20 0 GHADHO C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000156977902 845778967 /nfs/dbraw/zinc/77/89/67/845778967.db2.gz IZDOHCCXRDIPOS-QZTJIDSGSA-N 1 3 397.519 3.995 20 0 GHADHO CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000502768926 846450380 /nfs/dbraw/zinc/45/03/80/846450380.db2.gz SLMHMOMGKMMPRM-OOMBGRCJSA-N 1 3 398.595 3.603 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000502838076 846508543 /nfs/dbraw/zinc/50/85/43/846508543.db2.gz CKHWKTPHEGZZNY-SIKLNZKXSA-N 1 3 388.600 3.806 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000502838076 846508554 /nfs/dbraw/zinc/50/85/54/846508554.db2.gz CKHWKTPHEGZZNY-SIKLNZKXSA-N 1 3 388.600 3.806 20 0 GHADHO COc1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc2c1OCCO2 ZINC000513755864 846531834 /nfs/dbraw/zinc/53/18/34/846531834.db2.gz UQVIEJZTDZPWRO-UHFFFAOYSA-N 1 3 396.531 3.810 20 0 GHADHO COc1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc2c1OCCO2 ZINC000513755864 846531842 /nfs/dbraw/zinc/53/18/42/846531842.db2.gz UQVIEJZTDZPWRO-UHFFFAOYSA-N 1 3 396.531 3.810 20 0 GHADHO Cc1cccc2[nH]c(CNCc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)cc21 ZINC000657364984 846595771 /nfs/dbraw/zinc/59/57/71/846595771.db2.gz UUCHHEGJEJHAPU-UHFFFAOYSA-N 1 3 390.531 3.592 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccsc1 ZINC000501118079 846664666 /nfs/dbraw/zinc/66/46/66/846664666.db2.gz PQNRAPGNGNCQEA-FQEVSTJZSA-N 1 3 392.613 3.791 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501160966 846692039 /nfs/dbraw/zinc/69/20/39/846692039.db2.gz DBJJERWJRDQKSU-ZHALLVOQSA-N 1 3 380.602 3.551 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501160966 846692043 /nfs/dbraw/zinc/69/20/43/846692043.db2.gz DBJJERWJRDQKSU-ZHALLVOQSA-N 1 3 380.602 3.551 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336504 847117009 /nfs/dbraw/zinc/11/70/09/847117009.db2.gz ISFOQHLADLKTQV-YZZKKUAISA-N 1 3 379.548 3.870 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000272905241 847204722 /nfs/dbraw/zinc/20/47/22/847204722.db2.gz QIWAFSHOTNHKMP-XLIONFOSSA-N 1 3 393.597 3.687 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000501826596 847215344 /nfs/dbraw/zinc/21/53/44/847215344.db2.gz KAWHMNJKSILNRO-TWWGPRNNSA-N 1 3 386.584 3.630 20 0 GHADHO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000501826596 847215349 /nfs/dbraw/zinc/21/53/49/847215349.db2.gz KAWHMNJKSILNRO-TWWGPRNNSA-N 1 3 386.584 3.630 20 0 GHADHO CC1CC[NH+](CCCCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000501829094 847223154 /nfs/dbraw/zinc/22/31/54/847223154.db2.gz QXUMHOCFPTUHTD-QFIPXVFZSA-N 1 3 386.584 3.635 20 0 GHADHO FC(F)(F)c1ccn(-c2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000422721533 847795773 /nfs/dbraw/zinc/79/57/73/847795773.db2.gz OEQKPZYWPIFSHB-FGTMMUONSA-N 1 3 378.442 3.901 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000422799235 847827690 /nfs/dbraw/zinc/82/76/90/847827690.db2.gz VVCHQYYGQNTJQR-STQMWFEESA-N 1 3 378.314 3.729 20 0 GHADHO CN(C)c1cc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2n1 ZINC000422808577 847833252 /nfs/dbraw/zinc/83/32/52/847833252.db2.gz OMJWCHZWQQCSAA-QPPBQGQZSA-N 1 3 388.515 3.646 20 0 GHADHO CCOC(=O)C1([C@H](C)N[C@@H](c2ccccc2)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422876245 847864557 /nfs/dbraw/zinc/86/45/57/847864557.db2.gz QBLKLHJMURNEES-UWJYYQICSA-N 1 3 384.495 3.826 20 0 GHADHO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422885471 847871047 /nfs/dbraw/zinc/87/10/47/847871047.db2.gz YVFQQGGNKWTTBX-NHCUHLMSSA-N 1 3 381.520 3.762 20 0 GHADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611678610 847910829 /nfs/dbraw/zinc/91/08/29/847910829.db2.gz JSKARVRLASJSOB-HSZRJFAPSA-N 1 3 398.595 3.559 20 0 GHADHO CCOC(=O)C1([C@H](C)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423022976 847942922 /nfs/dbraw/zinc/94/29/22/847942922.db2.gz IWEFVPHYCPWYAV-XJKSGUPXSA-N 1 3 390.421 3.730 20 0 GHADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000423062297 847958088 /nfs/dbraw/zinc/95/80/88/847958088.db2.gz SVEVOQHKFXZVFF-RCCFBDPRSA-N 1 3 386.433 3.623 20 0 GHADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596119 848290745 /nfs/dbraw/zinc/29/07/45/848290745.db2.gz LFLMREZFJPASKI-FQEVSTJZSA-N 1 3 378.438 3.870 20 0 GHADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596119 848290760 /nfs/dbraw/zinc/29/07/60/848290760.db2.gz LFLMREZFJPASKI-FQEVSTJZSA-N 1 3 378.438 3.870 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(F)cc3C(F)(F)F)cc2)C1 ZINC000657596993 848297907 /nfs/dbraw/zinc/29/79/07/848297907.db2.gz QBVJPPFJKCTOBJ-SFHVURJKSA-N 1 3 382.401 3.701 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(F)cc3C(F)(F)F)cc2)C1 ZINC000657596993 848297913 /nfs/dbraw/zinc/29/79/13/848297913.db2.gz QBVJPPFJKCTOBJ-SFHVURJKSA-N 1 3 382.401 3.701 20 0 GHADHO CCOCc1ccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000180080760 861939912 /nfs/dbraw/zinc/93/99/12/861939912.db2.gz USWBTFKEJJZIBQ-UHFFFAOYSA-N 1 3 387.955 3.918 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000604202146 861940103 /nfs/dbraw/zinc/94/01/03/861940103.db2.gz PZIYDLVGXNZPMK-GOTSBHOMSA-N 1 3 398.595 3.874 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000604202521 861941796 /nfs/dbraw/zinc/94/17/96/861941796.db2.gz NWJIBEXONIIMNM-PKTZIBPZSA-N 1 3 398.595 3.874 20 0 GHADHO c1ccc2c(c1)CC1(CCOCC1)[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423131403 849752744 /nfs/dbraw/zinc/75/27/44/849752744.db2.gz ZUHABVWAJZODOH-PFATUAPWSA-N 1 3 390.527 3.926 20 0 GHADHO c1ccc2c(c1)CC1(CCOCC1)[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423131411 849752899 /nfs/dbraw/zinc/75/28/99/849752899.db2.gz ZUHABVWAJZODOH-QQKQFIJSSA-N 1 3 390.527 3.926 20 0 GHADHO Fc1cc(OCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1Cl ZINC000423159614 849777483 /nfs/dbraw/zinc/77/74/83/849777483.db2.gz YLYZWGHDPPKXKG-ICSRJNTNSA-N 1 3 376.859 3.703 20 0 GHADHO C[NH+](C)C1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCCCC1 ZINC000514438363 849853378 /nfs/dbraw/zinc/85/33/78/849853378.db2.gz POCXWZSLAUPDMF-SFHVURJKSA-N 1 3 392.613 3.839 20 0 GHADHO N[C@@H](CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000583439029 849890277 /nfs/dbraw/zinc/89/02/77/849890277.db2.gz SHKWJUAKQQQABD-QFIPXVFZSA-N 1 3 377.532 3.591 20 0 GHADHO N[C@@H](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000583439029 849890288 /nfs/dbraw/zinc/89/02/88/849890288.db2.gz SHKWJUAKQQQABD-QFIPXVFZSA-N 1 3 377.532 3.591 20 0 GHADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000414742906 849915963 /nfs/dbraw/zinc/91/59/63/849915963.db2.gz MRCLGXMSMQWKDQ-IERDGZPVSA-N 1 3 377.960 3.700 20 0 GHADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000414742906 849915971 /nfs/dbraw/zinc/91/59/71/849915971.db2.gz MRCLGXMSMQWKDQ-IERDGZPVSA-N 1 3 377.960 3.700 20 0 GHADHO Cc1c([C@H](C)NC[C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423455869 849933268 /nfs/dbraw/zinc/93/32/68/849933268.db2.gz FSTDELFLLGERGV-DUVNUKRYSA-N 1 3 392.345 3.506 20 0 GHADHO COC[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000423578485 849987094 /nfs/dbraw/zinc/98/70/94/849987094.db2.gz UQZQRKDCVVAGMI-NRFANRHFSA-N 1 3 387.955 3.611 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167958498 850273382 /nfs/dbraw/zinc/27/33/82/850273382.db2.gz GAHOWQKYINMNQU-KGEPEWOVSA-N 1 3 377.573 3.817 20 0 GHADHO C[C@H]1CC2(CN1CC(=O)N(Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424300582 850341475 /nfs/dbraw/zinc/34/14/75/850341475.db2.gz WUTLBUOJWLZISM-FQEVSTJZSA-N 1 3 377.532 3.684 20 0 GHADHO C[C@H]1CC2(CN1Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC[NH2+]CC2 ZINC000424372856 850412834 /nfs/dbraw/zinc/41/28/34/850412834.db2.gz FZTFWDYPXYDAFA-QFBILLFUSA-N 1 3 378.944 3.862 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000440201378 850910925 /nfs/dbraw/zinc/91/09/25/850910925.db2.gz ITEJZCJFXUOKKH-PMACEKPBSA-N 1 3 388.600 3.646 20 0 GHADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434353935 851024914 /nfs/dbraw/zinc/02/49/14/851024914.db2.gz YGLVOTYAVUORRU-LJQANCHMSA-N 1 3 392.613 3.618 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000514040012 851148085 /nfs/dbraw/zinc/14/80/85/851148085.db2.gz SFKLRTDJLHKJMX-ZLNRFVROSA-N 1 3 398.595 3.699 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000514040012 851148093 /nfs/dbraw/zinc/14/80/93/851148093.db2.gz SFKLRTDJLHKJMX-ZLNRFVROSA-N 1 3 398.595 3.699 20 0 GHADHO FC(F)(F)c1ncc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)s1 ZINC000443959023 862259161 /nfs/dbraw/zinc/25/91/61/862259161.db2.gz DYCJBFSXOIAISC-UHFFFAOYSA-N 1 3 398.498 3.854 20 0 GHADHO FC(F)(F)c1ncc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000443959023 862259178 /nfs/dbraw/zinc/25/91/78/862259178.db2.gz DYCJBFSXOIAISC-UHFFFAOYSA-N 1 3 398.498 3.854 20 0 GHADHO O=C1c2ccccc2CN1[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167977297 851915698 /nfs/dbraw/zinc/91/56/98/851915698.db2.gz BCJQNFCBNUHTSW-UHPUVVNFSA-N 1 3 393.575 3.949 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000517540598 852069902 /nfs/dbraw/zinc/06/99/02/852069902.db2.gz GCORIIQIDXETMG-OFNKIYASSA-N 1 3 394.563 3.595 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000505914483 852569022 /nfs/dbraw/zinc/56/90/22/852569022.db2.gz ZLEGPSAVAQUAOE-PUHATCMVSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000505914483 852569032 /nfs/dbraw/zinc/56/90/32/852569032.db2.gz ZLEGPSAVAQUAOE-PUHATCMVSA-N 1 3 383.580 3.764 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000490110758 852759569 /nfs/dbraw/zinc/75/95/69/852759569.db2.gz DQMQPJUEOCWSJH-QHCPKHFHSA-N 1 3 385.527 3.541 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CNC(C)(C)c2ccccc2)CC1 ZINC000507343897 852809816 /nfs/dbraw/zinc/80/98/16/852809816.db2.gz ZLBHAAZEZIPMDH-UHFFFAOYSA-N 1 3 379.548 3.601 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cn1 ZINC000518131629 852894282 /nfs/dbraw/zinc/89/42/82/852894282.db2.gz GJBPHVYSGWLOCP-UNMCSNQZSA-N 1 3 380.536 3.568 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccc(-n2ccnn2)cc1 ZINC000507509569 852988715 /nfs/dbraw/zinc/98/87/15/852988715.db2.gz LKQPIAGGZNJJPV-DYJHZFTCSA-N 1 3 387.531 3.829 20 0 GHADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-n2ccnn2)cc1 ZINC000507509569 852988721 /nfs/dbraw/zinc/98/87/21/852988721.db2.gz LKQPIAGGZNJJPV-DYJHZFTCSA-N 1 3 387.531 3.829 20 0 GHADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-n2ccnn2)cc1 ZINC000507509569 852988726 /nfs/dbraw/zinc/98/87/26/852988726.db2.gz LKQPIAGGZNJJPV-DYJHZFTCSA-N 1 3 387.531 3.829 20 0 GHADHO C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490765430 853243068 /nfs/dbraw/zinc/24/30/68/853243068.db2.gz BBEZJPFKCKRGBJ-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490765430 853243072 /nfs/dbraw/zinc/24/30/72/853243072.db2.gz BBEZJPFKCKRGBJ-GBXCKJPGSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@@H]1CN(CCCOc2cccc(C(C)(C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490991167 853391496 /nfs/dbraw/zinc/39/14/96/853391496.db2.gz AFCUNSZEHOVDPP-NFBKMPQASA-N 1 3 387.612 3.711 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000518518579 853463263 /nfs/dbraw/zinc/46/32/63/853463263.db2.gz CCDUTCKDXVVYOO-GIVPXCGWSA-N 1 3 393.531 3.550 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000518518579 853463270 /nfs/dbraw/zinc/46/32/70/853463270.db2.gz CCDUTCKDXVVYOO-GIVPXCGWSA-N 1 3 393.531 3.550 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000518629063 853564572 /nfs/dbraw/zinc/56/45/72/853564572.db2.gz ZQFCEJVEYNEJLM-VQTJNVASSA-N 1 3 392.613 3.791 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000520228477 853975959 /nfs/dbraw/zinc/97/59/59/853975959.db2.gz PBRBQPKOCUNMHS-QHCPKHFHSA-N 1 3 387.531 3.613 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000520228477 853975965 /nfs/dbraw/zinc/97/59/65/853975965.db2.gz PBRBQPKOCUNMHS-QHCPKHFHSA-N 1 3 387.531 3.613 20 0 GHADHO CC[N@H+](CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(C)C ZINC000588267142 854262944 /nfs/dbraw/zinc/26/29/44/854262944.db2.gz PSLKFOHUZFFAGX-GOSISDBHSA-N 1 3 380.602 3.551 20 0 GHADHO CC[N@@H+](CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(C)C ZINC000588267142 854262946 /nfs/dbraw/zinc/26/29/46/854262946.db2.gz PSLKFOHUZFFAGX-GOSISDBHSA-N 1 3 380.602 3.551 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C[C@H]1C ZINC000458897198 854478337 /nfs/dbraw/zinc/47/83/37/854478337.db2.gz OZQLUEWUMLKLNC-IMFGXOCKSA-N 1 3 392.613 3.525 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C[C@H]1C ZINC000458897198 854478341 /nfs/dbraw/zinc/47/83/41/854478341.db2.gz OZQLUEWUMLKLNC-IMFGXOCKSA-N 1 3 392.613 3.525 20 0 GHADHO C[NH+]1CCC(N2CC[C@@H](Nc3ncnc4sc(-c5ccccc5)cc43)C2)CC1 ZINC000732920945 862590826 /nfs/dbraw/zinc/59/08/26/862590826.db2.gz OZURUNYHASMDRS-QGZVFWFLSA-N 1 3 393.560 3.939 20 0 GHADHO Cc1cc2[nH]c(CN3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)cc2c(C)c1 ZINC000482006864 862602826 /nfs/dbraw/zinc/60/28/26/862602826.db2.gz INWFIOFNRIHDSI-UHFFFAOYSA-N 1 3 398.595 3.701 20 0 GHADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000572702552 854939873 /nfs/dbraw/zinc/93/98/73/854939873.db2.gz RPFWCIZZAZTDEI-OXQOHEQNSA-N 1 3 388.556 3.686 20 0 GHADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000572702552 854939879 /nfs/dbraw/zinc/93/98/79/854939879.db2.gz RPFWCIZZAZTDEI-OXQOHEQNSA-N 1 3 388.556 3.686 20 0 GHADHO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589998844 855221124 /nfs/dbraw/zinc/22/11/24/855221124.db2.gz ZRPUCAODBJAWQU-NJYVYQBISA-N 1 3 385.596 3.723 20 0 GHADHO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589998844 855221128 /nfs/dbraw/zinc/22/11/28/855221128.db2.gz ZRPUCAODBJAWQU-NJYVYQBISA-N 1 3 385.596 3.723 20 0 GHADHO CCOc1ccc([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000180975562 862697078 /nfs/dbraw/zinc/69/70/78/862697078.db2.gz RHIQSSUTZRXUFW-IBGZPJMESA-N 1 3 395.547 3.762 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)c1ccsc1 ZINC000520621593 855829776 /nfs/dbraw/zinc/82/97/76/855829776.db2.gz MMFILZYDYYHPCS-OALUTQOASA-N 1 3 380.602 3.551 20 0 GHADHO CN(CCC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152375185 855842885 /nfs/dbraw/zinc/84/28/85/855842885.db2.gz NTUALBURGSOZSQ-GCJKJVERSA-N 1 3 385.577 3.617 20 0 GHADHO CN(CCC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152375185 855842887 /nfs/dbraw/zinc/84/28/87/855842887.db2.gz NTUALBURGSOZSQ-GCJKJVERSA-N 1 3 385.577 3.617 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000303018459 856002393 /nfs/dbraw/zinc/00/23/93/856002393.db2.gz YWHQOGSCLYKVSC-WOJBJXKFSA-N 1 3 380.621 3.508 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCc4ccc(C)cc43)CC2)CC1 ZINC000573694775 856441149 /nfs/dbraw/zinc/44/11/49/856441149.db2.gz AQZGIURZYXNMCK-QHCPKHFHSA-N 1 3 383.580 3.685 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000669427620 856448623 /nfs/dbraw/zinc/44/86/23/856448623.db2.gz MDODRCYKKWOHCR-VABKMULXSA-N 1 3 398.595 3.553 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2)CC1 ZINC000485612515 856831692 /nfs/dbraw/zinc/83/16/92/856831692.db2.gz HSOKHMINWIXKEE-DNVJHFABSA-N 1 3 398.595 3.585 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2)CC1 ZINC000485612515 856831700 /nfs/dbraw/zinc/83/17/00/856831700.db2.gz HSOKHMINWIXKEE-DNVJHFABSA-N 1 3 398.595 3.585 20 0 GHADHO Brc1ccc(CNCCC[NH2+]Cc2cccnc2)c2ncccc12 ZINC000414887017 857123556 /nfs/dbraw/zinc/12/35/56/857123556.db2.gz WJMKDLBCVHTMQU-UHFFFAOYSA-N 1 3 385.309 3.662 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cccc(Oc3ccccn3)c2)C1 ZINC000921981757 857408613 /nfs/dbraw/zinc/40/86/13/857408613.db2.gz WNGQFBXAMWQNMP-QFIPXVFZSA-N 1 3 389.499 3.730 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cccc(Oc3ccccn3)c2)C1 ZINC000921981757 857408620 /nfs/dbraw/zinc/40/86/20/857408620.db2.gz WNGQFBXAMWQNMP-QFIPXVFZSA-N 1 3 389.499 3.730 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000060798175 857478387 /nfs/dbraw/zinc/47/83/87/857478387.db2.gz RRSLCGGJAPSYQH-UNMCSNQZSA-N 1 3 386.584 3.696 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000060798175 857478394 /nfs/dbraw/zinc/47/83/94/857478394.db2.gz RRSLCGGJAPSYQH-UNMCSNQZSA-N 1 3 386.584 3.696 20 0 GHADHO C[C@@H](NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000672658230 857553167 /nfs/dbraw/zinc/55/31/67/857553167.db2.gz UKKTXTWRGDVDOA-XMSQKQJNSA-N 1 3 398.551 3.830 20 0 GHADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCCn2ccnc2C)CC1 ZINC000181628679 862946373 /nfs/dbraw/zinc/94/63/73/862946373.db2.gz PHODOYGLSGCHRD-GOSISDBHSA-N 1 3 387.547 3.604 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744442 857764488 /nfs/dbraw/zinc/76/44/88/857764488.db2.gz HXCSDAATBNRVLH-PZJWPPBQSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744442 857764492 /nfs/dbraw/zinc/76/44/92/857764492.db2.gz HXCSDAATBNRVLH-PZJWPPBQSA-N 1 3 375.520 3.830 20 0 GHADHO CN(CCN(Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000486575145 857877635 /nfs/dbraw/zinc/87/76/35/857877635.db2.gz YVEPLALCYHPNNY-UHFFFAOYSA-N 1 3 393.575 3.879 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000574445152 857885949 /nfs/dbraw/zinc/88/59/49/857885949.db2.gz RPXHBSRWSDHYBN-WOIUINJBSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000574445152 857885959 /nfs/dbraw/zinc/88/59/59/857885959.db2.gz RPXHBSRWSDHYBN-WOIUINJBSA-N 1 3 388.577 3.777 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3ccc(C)cc3)CC2)CC1 ZINC000574463901 857903006 /nfs/dbraw/zinc/90/30/06/857903006.db2.gz ZKLXCDKHTUOAIK-HSZRJFAPSA-N 1 3 383.580 3.855 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000442707883 858065045 /nfs/dbraw/zinc/06/50/45/858065045.db2.gz HSEXMUDKGODFIY-NRFANRHFSA-N 1 3 388.559 3.562 20 0 GHADHO CCN1CCCC[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521905789 858415946 /nfs/dbraw/zinc/41/59/46/858415946.db2.gz HXQDAGBJBUOZTG-QHCPKHFHSA-N 1 3 385.596 3.712 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)cc1 ZINC000474082466 858839885 /nfs/dbraw/zinc/83/98/85/858839885.db2.gz OTEGPBWJDSDYHM-ISJGIBHGSA-N 1 3 399.623 3.769 20 0 GHADHO CC(C)CCOc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482888281 858943461 /nfs/dbraw/zinc/94/34/61/858943461.db2.gz MHKDRZFEEYKBBX-LJQANCHMSA-N 1 3 389.584 3.705 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429686623 859006024 /nfs/dbraw/zinc/00/60/24/859006024.db2.gz OZXDARJNVROVCE-PZUNEJSGSA-N 1 3 399.623 3.864 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429686623 859006033 /nfs/dbraw/zinc/00/60/33/859006033.db2.gz OZXDARJNVROVCE-PZUNEJSGSA-N 1 3 399.623 3.864 20 0 GHADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185769701 859127776 /nfs/dbraw/zinc/12/77/76/859127776.db2.gz VGDZKLMLBUBUDA-ZHALLVOQSA-N 1 3 380.960 3.631 20 0 GHADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185769701 859127780 /nfs/dbraw/zinc/12/77/80/859127780.db2.gz VGDZKLMLBUBUDA-ZHALLVOQSA-N 1 3 380.960 3.631 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3c[nH]nc3-c3cccc(Cl)c3)cc2)C1 ZINC000657594205 859452465 /nfs/dbraw/zinc/45/24/65/859452465.db2.gz GKRUUYPTXPBQCV-NRFANRHFSA-N 1 3 396.922 3.587 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3c[nH]nc3-c3cccc(Cl)c3)cc2)C1 ZINC000657594205 859452471 /nfs/dbraw/zinc/45/24/71/859452471.db2.gz GKRUUYPTXPBQCV-NRFANRHFSA-N 1 3 396.922 3.587 20 0 GHADHO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc(C)c1O ZINC000856558938 881426198 /nfs/dbraw/zinc/42/61/98/881426198.db2.gz LXBJIEFKEMFIDE-JOCHJYFZSA-N 1 3 383.536 3.898 20 0 GHADHO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc(C)c1O ZINC000856558938 881426210 /nfs/dbraw/zinc/42/62/10/881426210.db2.gz LXBJIEFKEMFIDE-JOCHJYFZSA-N 1 3 383.536 3.898 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H]2CN(c3ccccc3)CCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168029536 859560072 /nfs/dbraw/zinc/56/00/72/859560072.db2.gz SWGHOTUNEROIFW-UPPNCUKMSA-N 1 3 393.575 3.923 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H]2CN(c3ccccc3)CCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029536 859560079 /nfs/dbraw/zinc/56/00/79/859560079.db2.gz SWGHOTUNEROIFW-UPPNCUKMSA-N 1 3 393.575 3.923 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000508927115 860061166 /nfs/dbraw/zinc/06/11/66/860061166.db2.gz XEVHADHQEVMRMP-WMZHIEFXSA-N 1 3 396.579 3.971 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856599189 881571824 /nfs/dbraw/zinc/57/18/24/881571824.db2.gz GLBIOANUAXUBQJ-HXUWFJFHSA-N 1 3 389.490 3.896 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856599189 881571826 /nfs/dbraw/zinc/57/18/26/881571826.db2.gz GLBIOANUAXUBQJ-HXUWFJFHSA-N 1 3 389.490 3.896 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000126025918 860908988 /nfs/dbraw/zinc/90/89/88/860908988.db2.gz MSAMOHOOSUYAFR-LJQANCHMSA-N 1 3 386.584 3.555 20 0 GHADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623418600 861036003 /nfs/dbraw/zinc/03/60/03/861036003.db2.gz WXWWMYDKWVJTGL-OAHLLOKOSA-N 1 3 382.346 3.549 20 0 GHADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623418600 861036023 /nfs/dbraw/zinc/03/60/23/861036023.db2.gz WXWWMYDKWVJTGL-OAHLLOKOSA-N 1 3 382.346 3.549 20 0 GHADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552293 863298355 /nfs/dbraw/zinc/29/83/55/863298355.db2.gz RRNMCZPKTFWTSY-PKOBYXMFSA-N 1 3 399.510 3.856 20 0 GHADHO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2)C1 ZINC000856717994 881683081 /nfs/dbraw/zinc/68/30/81/881683081.db2.gz LYPGURPFCXMEHE-XZOQPEGZSA-N 1 3 377.532 3.500 20 0 GHADHO C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2)C1 ZINC000856717994 881683096 /nfs/dbraw/zinc/68/30/96/881683096.db2.gz LYPGURPFCXMEHE-XZOQPEGZSA-N 1 3 377.532 3.500 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172775747 863955146 /nfs/dbraw/zinc/95/51/46/863955146.db2.gz JMXFSOZTSSIYDN-HSZRJFAPSA-N 1 3 393.531 3.856 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172775747 863955161 /nfs/dbraw/zinc/95/51/61/863955161.db2.gz JMXFSOZTSSIYDN-HSZRJFAPSA-N 1 3 393.531 3.856 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CCCOc3cc(C)ccc32)c1 ZINC000163628980 864543936 /nfs/dbraw/zinc/54/39/36/864543936.db2.gz SOUWWBGVEMECLL-QHCPKHFHSA-N 1 3 398.547 3.956 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CCCOc3cc(C)ccc32)c1 ZINC000163628980 864543937 /nfs/dbraw/zinc/54/39/37/864543937.db2.gz SOUWWBGVEMECLL-QHCPKHFHSA-N 1 3 398.547 3.956 20 0 GHADHO COc1cc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cc(OC)c1OCc1ccccc1 ZINC000622044873 864714364 /nfs/dbraw/zinc/71/43/64/864714364.db2.gz WMLMPKLQBIEOJP-LEWJYISDSA-N 1 3 398.547 3.932 20 0 GHADHO Fc1cccc(F)c1N1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000167472905 864780855 /nfs/dbraw/zinc/78/08/55/864780855.db2.gz UJUCOEAQSWUZIJ-HXUWFJFHSA-N 1 3 385.502 3.840 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000899268482 865681130 /nfs/dbraw/zinc/68/11/30/865681130.db2.gz GKFCWIBOQADKNX-HSZRJFAPSA-N 1 3 385.596 3.566 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCc4ccccc4C3)nc2)[C@H]2CCC[C@H]21 ZINC000514103272 865688320 /nfs/dbraw/zinc/68/83/20/865688320.db2.gz AZLQOQIWLRPZHP-XPWALMASSA-N 1 3 376.548 3.607 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(N3CCc4ccccc4C3)nc2)[C@H]2CCC[C@H]21 ZINC000514103272 865688325 /nfs/dbraw/zinc/68/83/25/865688325.db2.gz AZLQOQIWLRPZHP-XPWALMASSA-N 1 3 376.548 3.607 20 0 GHADHO CC(C)[NH+]1CCC(N2CCN(CCCSCc3ccccc3)CC2)CC1 ZINC000534177711 866235503 /nfs/dbraw/zinc/23/55/03/866235503.db2.gz NDDVNOZHLAINOG-UHFFFAOYSA-N 1 3 375.626 3.800 20 0 GHADHO CN(C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000619999475 866243068 /nfs/dbraw/zinc/24/30/68/866243068.db2.gz FRQULAQUCOULST-QHCPKHFHSA-N 1 3 394.563 3.501 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3cccs3)CC2)CC1 ZINC000552876603 866413865 /nfs/dbraw/zinc/41/38/65/866413865.db2.gz YNZVAGLUNQRNOK-IBGZPJMESA-N 1 3 375.582 3.608 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000152479414 866566366 /nfs/dbraw/zinc/56/63/66/866566366.db2.gz LGHHRPVAQKBCJY-SJORKVTESA-N 1 3 376.566 3.538 20 0 GHADHO COc1ccc(COCCN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000553157193 866915640 /nfs/dbraw/zinc/91/56/40/866915640.db2.gz VPFWGMOLVUSUST-JOCHJYFZSA-N 1 3 396.531 3.790 20 0 GHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@H](C)C1 ZINC000153706685 867035477 /nfs/dbraw/zinc/03/54/77/867035477.db2.gz HBKBHFKDBFGSDK-DYESRHJHSA-N 1 3 388.531 3.546 20 0 GHADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@H](C)C1 ZINC000153706685 867035486 /nfs/dbraw/zinc/03/54/86/867035486.db2.gz HBKBHFKDBFGSDK-DYESRHJHSA-N 1 3 388.531 3.546 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@H](C)C1 ZINC000153706685 867035503 /nfs/dbraw/zinc/03/55/03/867035503.db2.gz HBKBHFKDBFGSDK-DYESRHJHSA-N 1 3 388.531 3.546 20 0 GHADHO CN(C)CCN(Cc1ccco1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000153841335 867109063 /nfs/dbraw/zinc/10/90/63/867109063.db2.gz UHINNTLXVYCBAJ-UHFFFAOYSA-N 1 3 398.551 3.539 20 0 GHADHO O=C(CN[C@@H](c1ccc(Cl)cc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000553305476 867169772 /nfs/dbraw/zinc/16/97/72/867169772.db2.gz TVDSWVBXPJWZAU-JOCHJYFZSA-N 1 3 389.971 3.904 20 0 GHADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000479266599 867460574 /nfs/dbraw/zinc/46/05/74/867460574.db2.gz OYVDPZHNOFXEMB-YESZJQIVSA-N 1 3 383.374 3.859 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000121653599 882199767 /nfs/dbraw/zinc/19/97/67/882199767.db2.gz ZQFNERCUSCTQBK-IBGZPJMESA-N 1 3 390.535 3.889 20 0 GHADHO C[N@@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000920577520 882205545 /nfs/dbraw/zinc/20/55/45/882205545.db2.gz VWTCJUXFOJDWAX-ZFWWWQNUSA-N 1 3 399.318 3.764 20 0 GHADHO C[N@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000920577520 882205555 /nfs/dbraw/zinc/20/55/55/882205555.db2.gz VWTCJUXFOJDWAX-ZFWWWQNUSA-N 1 3 399.318 3.764 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000157672972 868728980 /nfs/dbraw/zinc/72/89/80/868728980.db2.gz FRGKQOXPFXRQJD-MOPGFXCFSA-N 1 3 390.535 3.888 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000157672972 868728988 /nfs/dbraw/zinc/72/89/88/868728988.db2.gz FRGKQOXPFXRQJD-MOPGFXCFSA-N 1 3 390.535 3.888 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000535514330 868874708 /nfs/dbraw/zinc/87/47/08/868874708.db2.gz QALJDLYZXCRKHJ-SMIHKQSGSA-N 1 3 397.607 3.522 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446573301 870024377 /nfs/dbraw/zinc/02/43/77/870024377.db2.gz VYSTXARERKEUHQ-NQIIRXRSSA-N 1 3 380.536 3.748 20 0 GHADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)n(C)c1C ZINC000462798884 870092389 /nfs/dbraw/zinc/09/23/89/870092389.db2.gz ONKCIGDSYLIXAY-UHFFFAOYSA-N 1 3 383.536 3.642 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000462808077 870133649 /nfs/dbraw/zinc/13/36/49/870133649.db2.gz GOEHYYAQQDHMRD-AUSIDOKSSA-N 1 3 377.532 3.533 20 0 GHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](C)C2(CCC2)C1 ZINC000540044259 870297142 /nfs/dbraw/zinc/29/71/42/870297142.db2.gz RWZIEJRHSDHKRH-VQTJNVASSA-N 1 3 383.580 3.668 20 0 GHADHO CC(CN[C@H](C)[C@@H]1COc2ccccc21)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000248643346 870572425 /nfs/dbraw/zinc/57/24/25/870572425.db2.gz ZZPDGYQDRCHOGR-UBBRYJJRSA-N 1 3 380.532 3.931 20 0 GHADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(C(=O)CC(F)(F)F)CC3)CC2)C1 ZINC000540180513 870697168 /nfs/dbraw/zinc/69/71/68/870697168.db2.gz DZHLLSBNOWZWBP-MAUKXSAKSA-N 1 3 389.506 3.563 20 0 GHADHO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540245427 870848980 /nfs/dbraw/zinc/84/89/80/870848980.db2.gz PKBUJNYMZVSJFM-ZACQAIPSSA-N 1 3 382.495 3.616 20 0 GHADHO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245420 870849245 /nfs/dbraw/zinc/84/92/45/870849245.db2.gz PKBUJNYMZVSJFM-BBWFWOEESA-N 1 3 382.495 3.616 20 0 GHADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463118168 870954885 /nfs/dbraw/zinc/95/48/85/870954885.db2.gz WUZPYUQFGKODID-WIYYLYMNSA-N 1 3 383.511 3.507 20 0 GHADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463118168 870954899 /nfs/dbraw/zinc/95/48/99/870954899.db2.gz WUZPYUQFGKODID-WIYYLYMNSA-N 1 3 383.511 3.507 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000463137629 870990592 /nfs/dbraw/zinc/99/05/92/870990592.db2.gz LMWQLVJUXVMPKB-LSWJPFSZSA-N 1 3 381.564 3.941 20 0 GHADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000463137629 870990605 /nfs/dbraw/zinc/99/06/05/870990605.db2.gz LMWQLVJUXVMPKB-LSWJPFSZSA-N 1 3 381.564 3.941 20 0 GHADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000463137629 870990619 /nfs/dbraw/zinc/99/06/19/870990619.db2.gz LMWQLVJUXVMPKB-LSWJPFSZSA-N 1 3 381.564 3.941 20 0 GHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169092232 871202716 /nfs/dbraw/zinc/20/27/16/871202716.db2.gz AIEWKVJIODSNHY-ACDBMABISA-N 1 3 381.486 3.885 20 0 GHADHO COc1ccc([C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C2CC2)cc1 ZINC000091288696 871269741 /nfs/dbraw/zinc/26/97/41/871269741.db2.gz VHKRPCNGQHLEQQ-XMMPIXPASA-N 1 3 379.548 3.684 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001169539886 871617465 /nfs/dbraw/zinc/61/74/65/871617465.db2.gz KMQOEQMYYQZWEK-OIBXWCBGSA-N 1 3 379.548 3.706 20 0 GHADHO O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579898 871925379 /nfs/dbraw/zinc/92/53/79/871925379.db2.gz MHTPSRSJGQQTSM-UEQSERJNSA-N 1 3 389.543 3.573 20 0 GHADHO CN1CCN(CC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1(C)C ZINC000552064140 871967192 /nfs/dbraw/zinc/96/71/92/871967192.db2.gz YVCHUBJYBJACTP-GOSISDBHSA-N 1 3 385.474 3.652 20 0 GHADHO [NH3+]C1(c2ccccc2C(F)(F)F)CCN([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926629 872042963 /nfs/dbraw/zinc/04/29/63/872042963.db2.gz ZKHRFIFLTRUJAT-OAHLLOKOSA-N 1 3 384.442 3.641 20 0 GHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H](CO)Cc3ccc(F)c(F)c3)CC2)C1 ZINC000477924603 872155776 /nfs/dbraw/zinc/15/57/76/872155776.db2.gz GAUDSYCKPPTCLD-IMFGXOCKSA-N 1 3 380.523 3.749 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000477929305 872158177 /nfs/dbraw/zinc/15/81/77/872158177.db2.gz QZNQLXZNXHHIFV-AYVPJYCDSA-N 1 3 382.523 3.619 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000477929305 872158188 /nfs/dbraw/zinc/15/81/88/872158188.db2.gz QZNQLXZNXHHIFV-AYVPJYCDSA-N 1 3 382.523 3.619 20 0 GHADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000477929305 872158196 /nfs/dbraw/zinc/15/81/96/872158196.db2.gz QZNQLXZNXHHIFV-AYVPJYCDSA-N 1 3 382.523 3.619 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3c4cc(C)ccc4C[C@@H]3C)CC2)CC1 ZINC000619017381 872255412 /nfs/dbraw/zinc/25/54/12/872255412.db2.gz PPEGZBNEWAXIAQ-FDDCHVKYSA-N 1 3 383.580 3.541 20 0 GHADHO C[N@@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000552243541 872298380 /nfs/dbraw/zinc/29/83/80/872298380.db2.gz BGBBQEGMFCSPKM-QEJZJMRPSA-N 1 3 376.854 3.628 20 0 GHADHO C[N@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000552243541 872298390 /nfs/dbraw/zinc/29/83/90/872298390.db2.gz BGBBQEGMFCSPKM-QEJZJMRPSA-N 1 3 376.854 3.628 20 0 GHADHO COc1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000093769341 872397956 /nfs/dbraw/zinc/39/79/56/872397956.db2.gz HTUQUEDPSFGMAF-UHFFFAOYSA-N 1 3 376.541 3.800 20 0 GHADHO CCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000122550978 882612003 /nfs/dbraw/zinc/61/20/03/882612003.db2.gz NAPJBLYREBVTCT-AWEZNQCLSA-N 1 3 382.346 3.630 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)ccc1OC ZINC000182492992 872450643 /nfs/dbraw/zinc/45/06/43/872450643.db2.gz DBPQNZKKUAXKEB-RXVVDRJESA-N 1 3 397.567 3.647 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000093844527 872451157 /nfs/dbraw/zinc/45/11/57/872451157.db2.gz PGUBOLSRDHYPRG-IBGZPJMESA-N 1 3 381.568 3.959 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000093844527 872451165 /nfs/dbraw/zinc/45/11/65/872451165.db2.gz PGUBOLSRDHYPRG-IBGZPJMESA-N 1 3 381.568 3.959 20 0 GHADHO COC1(C[C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000550882199 882763498 /nfs/dbraw/zinc/76/34/98/882763498.db2.gz KCKSNACPVCWEQW-IRLDBZIGSA-N 1 3 386.580 3.853 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000769497813 874104227 /nfs/dbraw/zinc/10/42/27/874104227.db2.gz BWZWEIFWQFBLHW-FQEVSTJZSA-N 1 3 379.589 3.831 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000769497813 874104235 /nfs/dbraw/zinc/10/42/35/874104235.db2.gz BWZWEIFWQFBLHW-FQEVSTJZSA-N 1 3 379.589 3.831 20 0 GHADHO COc1cccc([C@@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)N(C)C)c1 ZINC000449066194 874404098 /nfs/dbraw/zinc/40/40/98/874404098.db2.gz YYQNAVYZWHKLJS-NBGIEHNGSA-N 1 3 395.591 3.983 20 0 GHADHO COc1cccc([C@@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)N(C)C)c1 ZINC000449066192 874404378 /nfs/dbraw/zinc/40/43/78/874404378.db2.gz YYQNAVYZWHKLJS-CJFMBICVSA-N 1 3 395.591 3.983 20 0 GHADHO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000770379137 874620497 /nfs/dbraw/zinc/62/04/97/874620497.db2.gz KUDMZGMAMUYBPV-PKOBYXMFSA-N 1 3 391.556 3.505 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000858101010 882847730 /nfs/dbraw/zinc/84/77/30/882847730.db2.gz WMDBKZRSRCSBND-WMZOPIPTSA-N 1 3 391.556 3.723 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3cnc4c(cnn4C)c3)cc2)C1 ZINC001199320858 874923804 /nfs/dbraw/zinc/92/38/04/874923804.db2.gz RFXGPLIDZDWKBJ-ROUUACIJSA-N 1 3 377.536 3.736 20 0 GHADHO C[C@@H](CC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)N(C)Cc1ccccc1 ZINC001200942507 875429647 /nfs/dbraw/zinc/42/96/47/875429647.db2.gz TTXKQNWQDFNUGP-KRWDZBQOSA-N 1 3 392.503 3.806 20 0 GHADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CN(C)C ZINC000491549703 875792480 /nfs/dbraw/zinc/79/24/80/875792480.db2.gz WDSDGBDSRYDFHU-VXGBXAGGSA-N 1 3 379.854 3.863 20 0 GHADHO C[C@H](CN[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C[NH+](C)C ZINC000491549703 875792484 /nfs/dbraw/zinc/79/24/84/875792484.db2.gz WDSDGBDSRYDFHU-VXGBXAGGSA-N 1 3 379.854 3.863 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H](C)CN(C)C ZINC000491549699 875792678 /nfs/dbraw/zinc/79/26/78/875792678.db2.gz WDSDGBDSRYDFHU-NWDGAFQWSA-N 1 3 379.854 3.863 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC[C@H](C)C[NH+](C)C ZINC000491549699 875792684 /nfs/dbraw/zinc/79/26/84/875792684.db2.gz WDSDGBDSRYDFHU-NWDGAFQWSA-N 1 3 379.854 3.863 20 0 GHADHO CC(C)C[C@H](NCc1ccc(-c2cccc(F)c2)s1)C(=O)NCC[NH+](C)C ZINC001201822520 875892754 /nfs/dbraw/zinc/89/27/54/875892754.db2.gz KROFVRXSCXGFCA-IBGZPJMESA-N 1 3 391.556 3.736 20 0 GHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000450191844 876056935 /nfs/dbraw/zinc/05/69/35/876056935.db2.gz HMQOPLKEKVBKRI-AVRDEDQJSA-N 1 3 384.568 3.520 20 0 GHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450191844 876056950 /nfs/dbraw/zinc/05/69/50/876056950.db2.gz HMQOPLKEKVBKRI-AVRDEDQJSA-N 1 3 384.568 3.520 20 0 GHADHO COc1ccc2c(NC[C@H](c3ccc(OC)c(OC)c3)N(C)C)cc[nH+]c2c1 ZINC000785717914 876223643 /nfs/dbraw/zinc/22/36/43/876223643.db2.gz NZLBQKIZRWUZHF-HXUWFJFHSA-N 1 3 381.476 3.975 20 0 GHADHO c1ccc(CCN2CCC([NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000192927191 883048308 /nfs/dbraw/zinc/04/83/08/883048308.db2.gz NUWVZBIQDBZHSN-DEOSSOPVSA-N 1 3 377.576 3.805 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000729593022 876651088 /nfs/dbraw/zinc/65/10/88/876651088.db2.gz ZHWQTQSTOHUDOC-HSZRJFAPSA-N 1 3 394.563 3.727 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(SC(F)F)cc3)cc2)C1 ZINC000850357358 876848352 /nfs/dbraw/zinc/84/83/52/876848352.db2.gz GTRARPCAJMRADN-GOSISDBHSA-N 1 3 378.488 3.858 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(SC(F)F)cc3)cc2)C1 ZINC000850357358 876848363 /nfs/dbraw/zinc/84/83/63/876848363.db2.gz GTRARPCAJMRADN-GOSISDBHSA-N 1 3 378.488 3.858 20 0 GHADHO C[N@H+](Cc1ccccc1CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C1CCCCC1 ZINC000174216276 876904035 /nfs/dbraw/zinc/90/40/35/876904035.db2.gz WTGBOQDTWRYPSQ-HSZRJFAPSA-N 1 3 396.579 3.607 20 0 GHADHO C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C1CCCCC1 ZINC000174216276 876904047 /nfs/dbraw/zinc/90/40/47/876904047.db2.gz WTGBOQDTWRYPSQ-HSZRJFAPSA-N 1 3 396.579 3.607 20 0 GHADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000109355901 876940019 /nfs/dbraw/zinc/94/00/19/876940019.db2.gz XYWFKNFWRQDQPE-HSZRJFAPSA-N 1 3 398.595 3.605 20 0 GHADHO COC(=O)Cc1ccccc1CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000787303158 877329203 /nfs/dbraw/zinc/32/92/03/877329203.db2.gz RBRJKRVQFUZNEV-OALUTQOASA-N 1 3 380.532 3.648 20 0 GHADHO Cc1cc([C@@H](C)N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000451167031 877503512 /nfs/dbraw/zinc/50/35/12/877503512.db2.gz YPCLXSKWVRDRBM-RTBURBONSA-N 1 3 397.538 3.954 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175500525 877738591 /nfs/dbraw/zinc/73/85/91/877738591.db2.gz VZJNWLWKXUQCAT-JOCHJYFZSA-N 1 3 384.568 3.530 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175538095 877758243 /nfs/dbraw/zinc/75/82/43/877758243.db2.gz VGHHQFZBGDZYER-IBGZPJMESA-N 1 3 390.597 3.591 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000537943531 878559013 /nfs/dbraw/zinc/55/90/13/878559013.db2.gz QOFAETZXIMYCKE-LZJOCLMNSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000537943531 878559026 /nfs/dbraw/zinc/55/90/26/878559026.db2.gz QOFAETZXIMYCKE-LZJOCLMNSA-N 1 3 397.966 3.784 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC000451917442 878647389 /nfs/dbraw/zinc/64/73/89/878647389.db2.gz CIHPQUGCYQZGGD-UHFFFAOYSA-N 1 3 379.539 3.635 20 0 GHADHO CC1(C)CN(C[C@@H](O)c2ccccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000853063697 878783219 /nfs/dbraw/zinc/78/32/19/878783219.db2.gz FDIBHTYBEKVFNG-PKTZIBPZSA-N 1 3 379.548 3.738 20 0 GHADHO O[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(F)cc1F ZINC000853120019 878827999 /nfs/dbraw/zinc/82/79/99/878827999.db2.gz DSRSQSRQZAFLLS-XMSQKQJNSA-N 1 3 386.486 3.890 20 0 GHADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000285703424 912397531 /nfs/dbraw/zinc/39/75/31/912397531.db2.gz PFRJRZCNEZIGNA-QPTUXGOLSA-N 1 3 397.607 3.914 20 0 GHADHO CC(C)(C)OC(=O)NC/C=C/CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000789866890 879326148 /nfs/dbraw/zinc/32/61/48/879326148.db2.gz SSNYWZSTZXDSLN-SNAWJCMRSA-N 1 3 391.531 3.503 20 0 GHADHO CC[NH+](CC)CCOc1ccccc1-c1noc(C[C@@H]2NCc3ccccc32)n1 ZINC000854145176 879579101 /nfs/dbraw/zinc/57/91/01/879579101.db2.gz OCZWQCDNEPHWEQ-FQEVSTJZSA-N 1 3 392.503 3.844 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000246494377 879619104 /nfs/dbraw/zinc/61/91/04/879619104.db2.gz SFDUFBNYFAGLAR-VAMGGRTRSA-N 1 3 398.469 3.930 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000246543006 879666037 /nfs/dbraw/zinc/66/60/37/879666037.db2.gz WSBVZZKEPOWAJL-WDSOQIARSA-N 1 3 380.602 3.503 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000246543006 879666048 /nfs/dbraw/zinc/66/60/48/879666048.db2.gz WSBVZZKEPOWAJL-WDSOQIARSA-N 1 3 380.602 3.503 20 0 GHADHO CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4CCN(C)C[C@@H]43)c2)CC1 ZINC000493957797 879774046 /nfs/dbraw/zinc/77/40/46/879774046.db2.gz JGWPSAISNLAHFL-IRLDBZIGSA-N 1 3 384.568 3.519 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000493966373 879782683 /nfs/dbraw/zinc/78/26/83/879782683.db2.gz AEMRLFKNLMQCMB-YKSBVNFPSA-N 1 3 381.564 3.690 20 0 GHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182911128 880037012 /nfs/dbraw/zinc/03/70/12/880037012.db2.gz MMDSDPLKZBJRLW-RBBKRZOGSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182911128 880037028 /nfs/dbraw/zinc/03/70/28/880037028.db2.gz MMDSDPLKZBJRLW-RBBKRZOGSA-N 1 3 398.595 3.557 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOCC4CCOCC4)[C@@H]3C2)cc1 ZINC000183145091 880061652 /nfs/dbraw/zinc/06/16/52/880061652.db2.gz DILVEMTXBWBNKK-VXNXHJTFSA-N 1 3 386.580 3.710 20 0 GHADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000531700612 880326365 /nfs/dbraw/zinc/32/63/65/880326365.db2.gz LPGPMECRPLQRKY-GJZGRUSLSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CN1CCCC1 ZINC000531700612 880326384 /nfs/dbraw/zinc/32/63/84/880326384.db2.gz LPGPMECRPLQRKY-GJZGRUSLSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000531738026 880369301 /nfs/dbraw/zinc/36/93/01/880369301.db2.gz CSLULPKYGZXTRC-KBMXLJTQSA-N 1 3 387.446 3.765 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000531738026 880369315 /nfs/dbraw/zinc/36/93/15/880369315.db2.gz CSLULPKYGZXTRC-KBMXLJTQSA-N 1 3 387.446 3.765 20 0 GHADHO CCN1CCN(c2ccc(N[C@@H](C)c3cccc(OCC[NH+](C)C)c3)cc2)CC1 ZINC000776805109 880446724 /nfs/dbraw/zinc/44/67/24/880446724.db2.gz KFXBHFHSGUFLJN-FQEVSTJZSA-N 1 3 396.579 3.942 20 0 GHADHO CNC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000453096980 880463052 /nfs/dbraw/zinc/46/30/52/880463052.db2.gz VYPXQUKAKQXCNY-ZLNRFVROSA-N 1 3 377.532 3.579 20 0 GHADHO C[C@H](CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC000556983950 881290975 /nfs/dbraw/zinc/29/09/75/881290975.db2.gz QXTJDZWKLUXKDL-QUCCMNQESA-N 1 3 393.522 3.525 20 0 GHADHO Fc1c(Cl)cccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911715 883848055 /nfs/dbraw/zinc/84/80/55/883848055.db2.gz USHXEYHNFDVMHT-MRXNPFEDSA-N 1 3 398.869 3.718 20 0 GHADHO Fc1c(Cl)cccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211911715 883848070 /nfs/dbraw/zinc/84/80/70/883848070.db2.gz USHXEYHNFDVMHT-MRXNPFEDSA-N 1 3 398.869 3.718 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455859105 884022250 /nfs/dbraw/zinc/02/22/50/884022250.db2.gz POBFUPPJGNGFRA-MQNAVGNWSA-N 1 3 392.547 3.878 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000556218183 884168612 /nfs/dbraw/zinc/16/86/12/884168612.db2.gz QMYZAMZTHFEJSK-HYBUGGRVSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000556218183 884168622 /nfs/dbraw/zinc/16/86/22/884168622.db2.gz QMYZAMZTHFEJSK-HYBUGGRVSA-N 1 3 379.548 3.523 20 0 GHADHO CCC(=O)N1CC[C@H](N[C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000556264886 884284122 /nfs/dbraw/zinc/28/41/22/884284122.db2.gz WWTZMIMHDZPRJA-VXKWHMMOSA-N 1 3 389.559 3.979 20 0 GHADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177090 884382450 /nfs/dbraw/zinc/38/24/50/884382450.db2.gz LRUPSGJSAGCIDW-PIPMEXSNSA-N 1 3 376.972 3.951 20 0 GHADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177090 884382467 /nfs/dbraw/zinc/38/24/67/884382467.db2.gz LRUPSGJSAGCIDW-PIPMEXSNSA-N 1 3 376.972 3.951 20 0 GHADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)C1(C)C ZINC000262794145 884513584 /nfs/dbraw/zinc/51/35/84/884513584.db2.gz PDIVXTIAKXUXAY-LYHRCORUSA-N 1 3 389.584 3.545 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000666441046 885042860 /nfs/dbraw/zinc/04/28/60/885042860.db2.gz JBIKGICRBPQHKC-HSZRJFAPSA-N 1 3 380.532 3.981 20 0 GHADHO CCCN(C)[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655766287 885306704 /nfs/dbraw/zinc/30/67/04/885306704.db2.gz CNNWFTZTLSXEGS-VXKWHMMOSA-N 1 3 394.003 3.956 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)N(C)C)cc1 ZINC000303075185 885448651 /nfs/dbraw/zinc/44/86/51/885448651.db2.gz QXUZAFZLJPOZCM-DHIUTWEWSA-N 1 3 394.563 3.734 20 0 GHADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000807440854 885473467 /nfs/dbraw/zinc/47/34/67/885473467.db2.gz RTSVSZFINPDEJT-YLJYHZDGSA-N 1 3 386.540 3.612 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476388 885732290 /nfs/dbraw/zinc/73/22/90/885732290.db2.gz XUKVRFLNXXCAAB-REWPJTCUSA-N 1 3 387.612 3.550 20 0 GHADHO C[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000556814144 886229358 /nfs/dbraw/zinc/22/93/58/886229358.db2.gz YIXBBHKTFRERQG-FUHWJXTLSA-N 1 3 387.474 3.794 20 0 GHADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000127472973 887063658 /nfs/dbraw/zinc/06/36/58/887063658.db2.gz JCQZYWNOEGVQBJ-GOSISDBHSA-N 1 3 394.357 3.584 20 0 GHADHO CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000809703373 887721015 /nfs/dbraw/zinc/72/10/15/887721015.db2.gz JTTVIMICIVXCEL-HSZRJFAPSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000809703373 887721023 /nfs/dbraw/zinc/72/10/23/887721023.db2.gz JTTVIMICIVXCEL-HSZRJFAPSA-N 1 3 387.568 3.888 20 0 GHADHO O=C(CC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000644545404 913356020 /nfs/dbraw/zinc/35/60/20/913356020.db2.gz SJQNLWBFWKGBDV-IBGZPJMESA-N 1 3 385.939 3.823 20 0 GHADHO O=C(CCNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000644545404 913356045 /nfs/dbraw/zinc/35/60/45/913356045.db2.gz SJQNLWBFWKGBDV-IBGZPJMESA-N 1 3 385.939 3.823 20 0 GHADHO O=C(CCNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000644545404 913356057 /nfs/dbraw/zinc/35/60/57/913356057.db2.gz SJQNLWBFWKGBDV-IBGZPJMESA-N 1 3 385.939 3.823 20 0 GHADHO CC(C)C[C@H](CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467419 889627677 /nfs/dbraw/zinc/62/76/77/889627677.db2.gz MFHWISDDQHBTFL-GGPKGHCWSA-N 1 3 379.589 3.875 20 0 GHADHO CC(C)C[C@H](CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467419 889627681 /nfs/dbraw/zinc/62/76/81/889627681.db2.gz MFHWISDDQHBTFL-GGPKGHCWSA-N 1 3 379.589 3.875 20 0 GHADHO Brc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Br ZINC000124518025 889657175 /nfs/dbraw/zinc/65/71/75/889657175.db2.gz YDKBZWRCUYGIFG-LBPRGKRZSA-N 1 3 388.147 3.786 20 0 GHADHO C[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000455119297 890336138 /nfs/dbraw/zinc/33/61/38/890336138.db2.gz QTNPGSSRIOOFNN-OAQYLSRUSA-N 1 3 386.584 3.559 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc(OC(F)F)c1 ZINC000126690534 890651079 /nfs/dbraw/zinc/65/10/79/890651079.db2.gz CLABKGCFIIGLGS-KRWDZBQOSA-N 1 3 389.490 3.886 20 0 GHADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000248581639 891441437 /nfs/dbraw/zinc/44/14/37/891441437.db2.gz OTXMWDJGNDOWME-FPOVZHCZSA-N 1 3 377.617 3.858 20 0 GHADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000248581639 891441448 /nfs/dbraw/zinc/44/14/48/891441448.db2.gz OTXMWDJGNDOWME-FPOVZHCZSA-N 1 3 377.617 3.858 20 0 GHADHO COc1ccccc1[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)C1CCCC1 ZINC000873244024 891545410 /nfs/dbraw/zinc/54/54/10/891545410.db2.gz PFGKSBBWCWXANU-HSZRJFAPSA-N 1 3 391.519 3.756 20 0 GHADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCSc4ccc(Cl)cc43)c2)nn1 ZINC000873247636 891548108 /nfs/dbraw/zinc/54/81/08/891548108.db2.gz QYPWWQNBWDGZAF-GOSISDBHSA-N 1 3 385.924 3.706 20 0 GHADHO C[NH+](C)CCN1CCC(N[C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497855605 892561039 /nfs/dbraw/zinc/56/10/39/892561039.db2.gz ZAIRDKKGVILLKS-QHCPKHFHSA-N 1 3 378.520 3.533 20 0 GHADHO CCC(CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508721171 892972052 /nfs/dbraw/zinc/97/20/52/892972052.db2.gz UCDMQYUWGZVXFQ-OYDLWJJNSA-N 1 3 387.612 3.624 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@](C)(O)c2ccccc2)CC1 ZINC000778214653 893362466 /nfs/dbraw/zinc/36/24/66/893362466.db2.gz PDQGJBHMDUZPCU-XMMPIXPASA-N 1 3 381.564 3.606 20 0 GHADHO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000877089160 893478721 /nfs/dbraw/zinc/47/87/21/893478721.db2.gz KWJHSHGMOSZQIK-UXHICEINSA-N 1 3 389.540 3.501 20 0 GHADHO COc1cccc(OC(F)(F)F)c1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000459544733 893771090 /nfs/dbraw/zinc/77/10/90/893771090.db2.gz FKVYQGGXEZFJPF-UHFFFAOYSA-N 1 3 381.398 3.747 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574976 894398872 /nfs/dbraw/zinc/39/88/72/894398872.db2.gz YQPLPSZAEJTZMG-PMACEKPBSA-N 1 3 392.609 3.786 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574976 894398887 /nfs/dbraw/zinc/39/88/87/894398887.db2.gz YQPLPSZAEJTZMG-PMACEKPBSA-N 1 3 392.609 3.786 20 0 GHADHO O=C(NC[C@@H]1CCCN(CCCc2c(Cl)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000565775111 895867410 /nfs/dbraw/zinc/86/74/10/895867410.db2.gz HDWIJZDZUJKHHP-HNAYVOBHSA-N 1 3 398.378 3.506 20 0 GHADHO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245035 896196914 /nfs/dbraw/zinc/19/69/14/896196914.db2.gz XXJMJELXAJSMNA-JQVVWYNYSA-N 1 3 381.495 3.827 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000566430950 896308757 /nfs/dbraw/zinc/30/87/57/896308757.db2.gz MPBGNQZYMQRWQM-INIZCTEOSA-N 1 3 393.522 3.681 20 0 GHADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000819015198 896349913 /nfs/dbraw/zinc/34/99/13/896349913.db2.gz FGLHWHFTKDESOO-RXVVDRJESA-N 1 3 392.465 3.893 20 0 GHADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819016409 896351352 /nfs/dbraw/zinc/35/13/52/896351352.db2.gz YVYZKKIKGTYYGR-GHTZIAJQSA-N 1 3 392.465 3.893 20 0 GHADHO Cc1cccc(C)c1OC[C@@H](O)CNC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000566792338 896576888 /nfs/dbraw/zinc/57/68/88/896576888.db2.gz SUZBAVGKZDPCFL-OFNKIYASSA-N 1 3 382.548 3.858 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@]3(C)c3ccccc3)CC2)CC1 ZINC000882024156 896620868 /nfs/dbraw/zinc/62/08/68/896620868.db2.gz QOOZGTSJZSOPED-XMMPIXPASA-N 1 3 383.580 3.721 20 0 GHADHO Brc1ccc(-c2cnc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000567504974 897208899 /nfs/dbraw/zinc/20/88/99/897208899.db2.gz IDAVQTJFZHKVHM-HOTGVXAUSA-N 1 3 390.325 3.926 20 0 GHADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000567895293 897475693 /nfs/dbraw/zinc/47/56/93/897475693.db2.gz CAUVOGYDICCZHE-VXKWHMMOSA-N 1 3 377.532 3.541 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]C[C@@H]3CCC=CO3)CC2)c1 ZINC000774962547 914226785 /nfs/dbraw/zinc/22/67/85/914226785.db2.gz MKPVWGSCJLCNMC-FQEVSTJZSA-N 1 3 397.485 3.890 20 0 GHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c2ccccc21 ZINC000569349565 898566460 /nfs/dbraw/zinc/56/64/60/898566460.db2.gz OCSGBKGMGRBYJE-KPOBHBOGSA-N 1 3 380.442 3.878 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000114158995 899065771 /nfs/dbraw/zinc/06/57/71/899065771.db2.gz RKYQTORLNCMFCK-UHFFFAOYSA-N 1 3 391.515 3.889 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cn1 ZINC000570303617 899250846 /nfs/dbraw/zinc/25/08/46/899250846.db2.gz KEFWYJIHTLHYEU-JTHBVZDNSA-N 1 3 380.536 3.568 20 0 GHADHO CN(C)Cc1cccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC000156204706 899527434 /nfs/dbraw/zinc/52/74/34/899527434.db2.gz ALLWTLAVNWVNBP-UHFFFAOYSA-N 1 3 398.526 3.670 20 0 GHADHO C[C@@H]1CCCCN1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000571109634 899743037 /nfs/dbraw/zinc/74/30/37/899743037.db2.gz JYPZNGZPQBDRJP-JRGCBEDISA-N 1 3 378.582 3.506 20 0 GHADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000885972404 900660570 /nfs/dbraw/zinc/66/05/70/900660570.db2.gz BOIAHRJRHMSZCG-FQEVSTJZSA-N 1 3 392.971 3.870 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000574904780 901047375 /nfs/dbraw/zinc/04/73/75/901047375.db2.gz IPQKQJXCHIPRPK-HXHBTQRASA-N 1 3 388.552 3.647 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144176815 901197209 /nfs/dbraw/zinc/19/72/09/901197209.db2.gz MAFBJTBAMWLFMA-IBGZPJMESA-N 1 3 396.560 3.880 20 0 GHADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc4cc([C@H]5CNCCO5)cn43)c2c1 ZINC001171170170 901948965 /nfs/dbraw/zinc/94/89/65/901948965.db2.gz UOSYVQRYNIBCOF-UZUQRXQVSA-N 1 3 388.515 3.742 20 0 GHADHO C[C@H](O)c1ncc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000290227493 914583631 /nfs/dbraw/zinc/58/36/31/914583631.db2.gz FNYLVPHWWYRVOD-AWEZNQCLSA-N 1 3 379.957 3.852 20 0 GHADHO CN1CC[NH+](CC2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000576789481 902265038 /nfs/dbraw/zinc/26/50/38/902265038.db2.gz LFEWRAOMHCXEGB-UHFFFAOYSA-N 1 3 379.548 3.938 20 0 GHADHO C[C@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000845953407 902527448 /nfs/dbraw/zinc/52/74/48/902527448.db2.gz HUFUAGCYJYFMSF-BKVYNOPKSA-N 1 3 379.589 3.922 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)s1 ZINC000846100851 902713039 /nfs/dbraw/zinc/71/30/39/902713039.db2.gz UYDYFHUSQDMXHS-UTKZUKDTSA-N 1 3 395.588 3.549 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)s1 ZINC000846100851 902713050 /nfs/dbraw/zinc/71/30/50/902713050.db2.gz UYDYFHUSQDMXHS-UTKZUKDTSA-N 1 3 395.588 3.549 20 0 GHADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000577363500 902714122 /nfs/dbraw/zinc/71/41/22/902714122.db2.gz LSSDMLWUUMHWCE-RBBKRZOGSA-N 1 3 382.552 3.714 20 0 GHADHO CN1CCN(CC[NH2+]Cc2csc3c2cccc3Br)CC1(C)C ZINC000577867013 903286301 /nfs/dbraw/zinc/28/63/01/903286301.db2.gz LIEZKIKLLDYTML-UHFFFAOYSA-N 1 3 396.398 3.779 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnn3[C@H](C)CC(C)C)CC2)CC1 ZINC000577962306 903389060 /nfs/dbraw/zinc/38/90/60/903389060.db2.gz QJGXXHYWCDHKBX-GOSISDBHSA-N 1 3 389.588 3.625 20 0 GHADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000601270261 903520942 /nfs/dbraw/zinc/52/09/42/903520942.db2.gz OLVFOHGSQPMQNV-YADHBBJMSA-N 1 3 386.584 3.632 20 0 GHADHO C[C@@H]1C[C@H](N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000779073169 903903987 /nfs/dbraw/zinc/90/39/87/903903987.db2.gz LJFOFKYGSUYEBO-PBASOCQRSA-N 1 3 387.568 3.852 20 0 GHADHO C[C@@H]1C[C@H](N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000779073169 903903997 /nfs/dbraw/zinc/90/39/97/903903997.db2.gz LJFOFKYGSUYEBO-PBASOCQRSA-N 1 3 387.568 3.852 20 0 GHADHO C[NH+]1C(C)(C)CC(N[C@@H]2C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1(C)C ZINC001171630656 904851201 /nfs/dbraw/zinc/85/12/01/904851201.db2.gz RCUXKJVNRYEKRT-RYQLBKOJSA-N 1 3 377.573 3.649 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@@H]2C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1(C)C ZINC001171630656 904851213 /nfs/dbraw/zinc/85/12/13/904851213.db2.gz RCUXKJVNRYEKRT-RYQLBKOJSA-N 1 3 377.573 3.649 20 0 GHADHO COc1ccc(N2C[C@]3(CC[N@@H+](C4CC(C)(C)N(C)C(C)(C)C4)C3)CC2=O)cc1 ZINC001171635426 904924378 /nfs/dbraw/zinc/92/43/78/904924378.db2.gz ZLECJISZJVEFNJ-XMMPIXPASA-N 1 3 399.579 3.775 20 0 GHADHO COc1ccc(N2C[C@]3(CC[N@H+](C4CC(C)(C)N(C)C(C)(C)C4)C3)CC2=O)cc1 ZINC001171635426 904924389 /nfs/dbraw/zinc/92/43/89/904924389.db2.gz ZLECJISZJVEFNJ-XMMPIXPASA-N 1 3 399.579 3.775 20 0 GHADHO C[C@@H]1C[C@@H]([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CN1Cc1ccccc1 ZINC001171761727 904997357 /nfs/dbraw/zinc/99/73/57/904997357.db2.gz GAXPYVADEWHUDP-HYBUGGRVSA-N 1 3 381.539 3.996 20 0 GHADHO C[C@@H]1C[C@@H]([N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CN1Cc1ccccc1 ZINC001171761727 904997366 /nfs/dbraw/zinc/99/73/66/904997366.db2.gz GAXPYVADEWHUDP-HYBUGGRVSA-N 1 3 381.539 3.996 20 0 GHADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@H]2C1 ZINC001171863281 905111055 /nfs/dbraw/zinc/11/10/55/905111055.db2.gz WPLHSVUCGOHDKK-GUDVDZBRSA-N 1 3 377.573 3.582 20 0 GHADHO O=C(C1CCCC1)N1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172066846 905330076 /nfs/dbraw/zinc/33/00/76/905330076.db2.gz NFCFSCQVYBOBNV-YCAMKHIRSA-N 1 3 395.591 3.953 20 0 GHADHO O=C(C1CCCC1)N1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066846 905330091 /nfs/dbraw/zinc/33/00/91/905330091.db2.gz NFCFSCQVYBOBNV-YCAMKHIRSA-N 1 3 395.591 3.953 20 0 GHADHO CCc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cn21 ZINC001172065461 905330194 /nfs/dbraw/zinc/33/01/94/905330194.db2.gz MEAPXJNPIXAPLF-KOUNCHBCSA-N 1 3 389.547 3.967 20 0 GHADHO COCCN(C)[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Cl)cc1 ZINC001172115747 905366068 /nfs/dbraw/zinc/36/60/68/905366068.db2.gz ZUYXDLQMLXUAAH-WOZUAGRISA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172115747 905366087 /nfs/dbraw/zinc/36/60/87/905366087.db2.gz ZUYXDLQMLXUAAH-WOZUAGRISA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115747 905366100 /nfs/dbraw/zinc/36/61/00/905366100.db2.gz ZUYXDLQMLXUAAH-WOZUAGRISA-N 1 3 379.976 3.564 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@H]3COc3ccccn3)CC1)C2 ZINC001172118306 905375430 /nfs/dbraw/zinc/37/54/30/905375430.db2.gz VAGMCPQXCZKQRT-FNAHDJPLSA-N 1 3 399.579 3.594 20 0 GHADHO COCCC[NH+]1CCC(NC2(c3ccc(Br)cc3)CCC2)CC1 ZINC001172245298 905443175 /nfs/dbraw/zinc/44/31/75/905443175.db2.gz QKLZXBCEEVBNOS-UHFFFAOYSA-N 1 3 381.358 3.919 20 0 GHADHO COCCC[NH+]1CCC(N[C@H](CC2CCOCC2)c2cccc(F)c2)CC1 ZINC001172248395 905445550 /nfs/dbraw/zinc/44/55/50/905445550.db2.gz FUEBJLWPUSCYJC-JOCHJYFZSA-N 1 3 378.532 3.774 20 0 GHADHO CCCC[C@H]1C[C@H](N2CCC([NH3+])(CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001172629709 905691188 /nfs/dbraw/zinc/69/11/88/905691188.db2.gz BLEHOPIDSMZWAU-MOPGFXCFSA-N 1 3 397.604 3.775 20 0 GHADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+]([C@@H]1CCc3ncsc3C1)CC2 ZINC001173137575 906220912 /nfs/dbraw/zinc/22/09/12/906220912.db2.gz VKCNALUBDFZBNP-GOSISDBHSA-N 1 3 382.577 3.772 20 0 GHADHO COc1cccc2c1C[C@H]([NH2+]CC1CCN(Cc3ccccc3F)CC1)CO2 ZINC001173151526 906239562 /nfs/dbraw/zinc/23/95/62/906239562.db2.gz VCVGSPIXOROZEK-IBGZPJMESA-N 1 3 384.495 3.640 20 0 GHADHO Fc1cc2c(cc1F)CC(N1CCC3(CC[N@H+](Cc4cccnc4)C3)CC1)C2 ZINC001173483019 906483021 /nfs/dbraw/zinc/48/30/21/906483021.db2.gz NYSNFBQGWVLMHN-UHFFFAOYSA-N 1 3 383.486 3.815 20 0 GHADHO Fc1cc2c(cc1F)CC(N1CCC3(CC[N@@H+](Cc4cccnc4)C3)CC1)C2 ZINC001173483019 906483026 /nfs/dbraw/zinc/48/30/26/906483026.db2.gz NYSNFBQGWVLMHN-UHFFFAOYSA-N 1 3 383.486 3.815 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]13)CC2 ZINC001173599841 906552330 /nfs/dbraw/zinc/55/23/30/906552330.db2.gz RNKBOWLYYSQNGP-FDCONGQXSA-N 1 3 396.575 3.999 20 0 GHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(SC(F)F)cc2)cc1 ZINC000180944036 906880221 /nfs/dbraw/zinc/88/02/21/906880221.db2.gz RPJWRLXTCLSEIE-UHFFFAOYSA-N 1 3 393.503 3.583 20 0 GHADHO CN1CCN(Cc2ccccc2NC2=CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001174397324 907002479 /nfs/dbraw/zinc/00/24/79/907002479.db2.gz TYBNCQRFNFQBFI-UHFFFAOYSA-N 1 3 376.548 3.636 20 0 GHADHO CN1CCN(Cc2ccccc2NC2=CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001174397324 907002495 /nfs/dbraw/zinc/00/24/95/907002495.db2.gz TYBNCQRFNFQBFI-UHFFFAOYSA-N 1 3 376.548 3.636 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCc4ccccc4CC3)cc2)CC1 ZINC001177294691 908499395 /nfs/dbraw/zinc/49/93/95/908499395.db2.gz PCCAINOHHKOOBA-UHFFFAOYSA-N 1 3 377.576 3.861 20 0 GHADHO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC001177266140 908507592 /nfs/dbraw/zinc/50/75/92/908507592.db2.gz BDCVVPMMYAOOAG-HXUWFJFHSA-N 1 3 381.564 3.554 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001177843766 908777551 /nfs/dbraw/zinc/77/75/51/908777551.db2.gz GKDUNLAFDBLOAO-MAUKXSAKSA-N 1 3 384.948 3.584 20 0 GHADHO C[N@@H+]1CCC[C@H](CNCc2ccc(C(=O)NC3CC3)cc2)[C@H]1c1cccs1 ZINC001177920291 908803308 /nfs/dbraw/zinc/80/33/08/908803308.db2.gz RTNQRZOMXLFLQX-NQIIRXRSSA-N 1 3 383.561 3.813 20 0 GHADHO C[N@H+]1CCC[C@H](CNCc2ccc(C(=O)NC3CC3)cc2)[C@H]1c1cccs1 ZINC001177920291 908803321 /nfs/dbraw/zinc/80/33/21/908803321.db2.gz RTNQRZOMXLFLQX-NQIIRXRSSA-N 1 3 383.561 3.813 20 0 GHADHO c1ccc(COc2ccccc2CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000635002987 909099524 /nfs/dbraw/zinc/09/95/24/909099524.db2.gz CYXOYMQVZPGMCA-YTFSRNRJSA-N 1 3 380.532 3.555 20 0 GHADHO CCN1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000266493949 909193803 /nfs/dbraw/zinc/19/38/03/909193803.db2.gz AKKWIZZTENPZEN-KRWDZBQOSA-N 1 3 398.576 3.775 20 0 GHADHO C[C@@H](CN(C)C(=O)OC(C)(C)C)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001179238038 909434006 /nfs/dbraw/zinc/43/40/06/909434006.db2.gz GUBHDQSKNIPSQP-SFHVURJKSA-N 1 3 377.573 3.990 20 0 GHADHO C[C@@H](CN(C)C(=O)OC(C)(C)C)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001179238038 909434015 /nfs/dbraw/zinc/43/40/15/909434015.db2.gz GUBHDQSKNIPSQP-SFHVURJKSA-N 1 3 377.573 3.990 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CCN(Cc2ccccc2)C1 ZINC001180194544 910030744 /nfs/dbraw/zinc/03/07/44/910030744.db2.gz GNVRLMXHNKKKSX-SQJMNOBHSA-N 1 3 397.607 3.915 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CCN(Cc2ccccc2)C1 ZINC001180194544 910030752 /nfs/dbraw/zinc/03/07/52/910030752.db2.gz GNVRLMXHNKKKSX-SQJMNOBHSA-N 1 3 397.607 3.915 20 0 GHADHO CCN(Cc1cccn(C(F)F)c1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638139285 910064034 /nfs/dbraw/zinc/06/40/34/910064034.db2.gz LLPOOWUXOUJAJE-SFHVURJKSA-N 1 3 375.463 3.587 20 0 GHADHO CCN(Cc1cccn(C(F)F)c1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638139285 910064048 /nfs/dbraw/zinc/06/40/48/910064048.db2.gz LLPOOWUXOUJAJE-SFHVURJKSA-N 1 3 375.463 3.587 20 0 GHADHO O=c1c(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cccn1C(F)F ZINC000638153496 910068896 /nfs/dbraw/zinc/06/88/96/910068896.db2.gz KPHJVVZFTNIKDC-UHFFFAOYSA-N 1 3 387.474 3.732 20 0 GHADHO O=c1c(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cccn1C(F)F ZINC000638153496 910068914 /nfs/dbraw/zinc/06/89/14/910068914.db2.gz KPHJVVZFTNIKDC-UHFFFAOYSA-N 1 3 387.474 3.732 20 0 GHADHO Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639079723 910309369 /nfs/dbraw/zinc/30/93/69/910309369.db2.gz MIBPKJPUJYWARZ-QESAQDPVSA-N 1 3 380.536 3.598 20 0 GHADHO Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639079723 910309385 /nfs/dbraw/zinc/30/93/85/910309385.db2.gz MIBPKJPUJYWARZ-QESAQDPVSA-N 1 3 380.536 3.598 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(C)cc2c1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC001181244402 910625564 /nfs/dbraw/zinc/62/55/64/910625564.db2.gz RPWNFTFXOGXIQO-UHFFFAOYSA-N 1 3 383.536 3.961 20 0 GHADHO CCCCC[N@H+](C)CCC(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001181864813 911046904 /nfs/dbraw/zinc/04/69/04/911046904.db2.gz JHYPTUWOVJFCMP-UHFFFAOYSA-N 1 3 377.548 3.761 20 0 GHADHO CCCCC[N@@H+](C)CCC(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001181864813 911046924 /nfs/dbraw/zinc/04/69/24/911046924.db2.gz JHYPTUWOVJFCMP-UHFFFAOYSA-N 1 3 377.548 3.761 20 0 GHADHO Cc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000641773344 911510905 /nfs/dbraw/zinc/51/09/05/911510905.db2.gz HINMABGAVISSJX-HZPDHXFCSA-N 1 3 381.358 3.909 20 0 GHADHO C[C@@H]1[C@H](CC(=O)N[C@H]2CCCN(C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949399 914913606 /nfs/dbraw/zinc/91/36/06/914913606.db2.gz SSLHJWYRFZVDDT-PTUXOGIPSA-N 1 3 391.559 3.697 20 0 GHADHO C[C@@H]1[C@H](CC(=O)N[C@H]2CCCN(C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949399 914913609 /nfs/dbraw/zinc/91/36/09/914913609.db2.gz SSLHJWYRFZVDDT-PTUXOGIPSA-N 1 3 391.559 3.697 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccc2c(c1)CNC2 ZINC000647076407 915019983 /nfs/dbraw/zinc/01/99/83/915019983.db2.gz JNYXBDJOXSEDTN-QGZVFWFLSA-N 1 3 379.504 3.795 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc2c(c1)CNC2 ZINC000647076407 915019993 /nfs/dbraw/zinc/01/99/93/915019993.db2.gz JNYXBDJOXSEDTN-QGZVFWFLSA-N 1 3 379.504 3.795 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647344372 915167239 /nfs/dbraw/zinc/16/72/39/915167239.db2.gz PFNCKRLDXYGPHT-GATIMQMVSA-N 1 3 377.576 3.832 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1C ZINC000647344376 915167887 /nfs/dbraw/zinc/16/78/87/915167887.db2.gz PJUXUKIUDAZHAR-BWAGFHJFSA-N 1 3 379.548 3.956 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1C ZINC000647344376 915167894 /nfs/dbraw/zinc/16/78/94/915167894.db2.gz PJUXUKIUDAZHAR-BWAGFHJFSA-N 1 3 379.548 3.956 20 0 GHADHO C[NH+]1CCC(N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c2ccccc2)CC1 ZINC000649625297 916271771 /nfs/dbraw/zinc/27/17/71/916271771.db2.gz URUUOBBAQYTYPK-ZWKOTPCHSA-N 1 3 384.442 3.861 20 0 GHADHO CC[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C(=O)OC)cc1 ZINC000294963081 917071431 /nfs/dbraw/zinc/07/14/31/917071431.db2.gz ZACCDYRGLLFWHN-QHCPKHFHSA-N 1 3 396.531 3.671 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)ccc1OC ZINC000775382519 917314869 /nfs/dbraw/zinc/31/48/69/917314869.db2.gz OVXUDRIFTJWBTF-QAPCUYQASA-N 1 3 387.490 3.824 20 0 GHADHO CC[C@@](C)(NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000775386859 917328888 /nfs/dbraw/zinc/32/88/88/917328888.db2.gz HAZFKYPZAMVSMM-XMMPIXPASA-N 1 3 379.548 3.814 20 0 GHADHO CC[C@@](C)(NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000775394759 917389879 /nfs/dbraw/zinc/38/98/79/917389879.db2.gz NEEXPLKWVNUUMV-RUZDIDTESA-N 1 3 393.575 3.991 20 0 GHADHO CCn1cc([C@H](C)NCc2ccccc2C[NH2+][C@@H](C)c2cnn(CC)c2)cn1 ZINC000296251410 918053222 /nfs/dbraw/zinc/05/32/22/918053222.db2.gz XJXSMQVRTYOKER-ROUUACIJSA-N 1 3 380.540 3.821 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCc3ccc(C)cc3C)CC2)CC1 ZINC000654401515 919113441 /nfs/dbraw/zinc/11/34/41/919113441.db2.gz BTRUKAJARZEIGI-UHFFFAOYSA-N 1 3 385.596 3.549 20 0 GHADHO CCCN1CCC([NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1 ZINC000380782355 919320461 /nfs/dbraw/zinc/32/04/61/919320461.db2.gz GFUWDICMNJRQJA-UHFFFAOYSA-N 1 3 375.557 3.718 20 0 GHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1CN(C)C ZINC000365499207 920868627 /nfs/dbraw/zinc/86/86/27/920868627.db2.gz WHERIIQJLHVDTL-OAQYLSRUSA-N 1 3 379.548 3.732 20 0 GHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1CN(C)C ZINC000365499207 920868633 /nfs/dbraw/zinc/86/86/33/920868633.db2.gz WHERIIQJLHVDTL-OAQYLSRUSA-N 1 3 379.548 3.732 20 0 GHADHO [NH3+]CCCC[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(F)cc1F ZINC000902344059 922105996 /nfs/dbraw/zinc/10/59/96/922105996.db2.gz AURMBBHHBPDQJX-HNAYVOBHSA-N 1 3 378.442 3.538 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000902504557 922244288 /nfs/dbraw/zinc/24/42/88/922244288.db2.gz OJWQOIYOTAOKQO-JBUDQFAYSA-N 1 3 393.531 3.866 20 0 GHADHO COc1ccc(F)cc1-c1cncc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000903767941 923269258 /nfs/dbraw/zinc/26/92/58/923269258.db2.gz JRAKCJNQVRLZIU-XKCSPQBFSA-N 1 3 399.510 3.757 20 0 GHADHO CC1CCN(CCC[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000676870957 924119670 /nfs/dbraw/zinc/11/96/70/924119670.db2.gz DELDBILONWFJKO-UXHICEINSA-N 1 3 397.563 3.696 20 0 GHADHO C(CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678637776 924858396 /nfs/dbraw/zinc/85/83/96/924858396.db2.gz CEVDYTOFOOOJLP-ZCQNZVIGSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678637776 924858404 /nfs/dbraw/zinc/85/84/04/924858404.db2.gz CEVDYTOFOOOJLP-ZCQNZVIGSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@@H](C[C@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637776 924858413 /nfs/dbraw/zinc/85/84/13/924858413.db2.gz CEVDYTOFOOOJLP-ZCQNZVIGSA-N 1 3 378.601 3.654 20 0 GHADHO C(CN1CCC[C@@H](C[C@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637776 924858428 /nfs/dbraw/zinc/85/84/28/924858428.db2.gz CEVDYTOFOOOJLP-ZCQNZVIGSA-N 1 3 378.601 3.654 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@]3(CC[C@H](C)C3)C2)CC1 ZINC000679836038 925279938 /nfs/dbraw/zinc/27/99/38/925279938.db2.gz VJXZFXXLKGVCCY-CYFREDJKSA-N 1 3 383.580 3.588 20 0 GHADHO CC(=O)N1CC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2C1 ZINC000373125237 925873369 /nfs/dbraw/zinc/87/33/69/925873369.db2.gz RZVXBPLBNJHBAM-DEOSSOPVSA-N 1 3 377.532 3.866 20 0 GHADHO C[C@]1(CNCc2ccc(C(=O)NC3CC3)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000681698964 925883583 /nfs/dbraw/zinc/88/35/83/925883583.db2.gz ODYSPQAQGSTLSY-XMMPIXPASA-N 1 3 377.532 3.723 20 0 GHADHO C[C@]1(CNCc2ccc(C(=O)NC3CC3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000681698964 925883590 /nfs/dbraw/zinc/88/35/90/925883590.db2.gz ODYSPQAQGSTLSY-XMMPIXPASA-N 1 3 377.532 3.723 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000411478184 926444838 /nfs/dbraw/zinc/44/48/38/926444838.db2.gz ROJFFGRJMXWEJO-JOCHJYFZSA-N 1 3 375.532 3.636 20 0 GHADHO CC[NH+]1CCC(NC(=O)CN[C@@H](Cc2ccccc2)c2sccc2C)CC1 ZINC000411517011 926475355 /nfs/dbraw/zinc/47/53/55/926475355.db2.gz LHCJLLRMTTXGDK-FQEVSTJZSA-N 1 3 385.577 3.530 20 0 GHADHO O=C1[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1c1cccc(Cl)c1 ZINC000749881931 927329084 /nfs/dbraw/zinc/32/90/84/927329084.db2.gz AZNSIEAIBRWPRU-JOCHJYFZSA-N 1 3 397.950 3.742 20 0 GHADHO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412417417 927428096 /nfs/dbraw/zinc/42/80/96/927428096.db2.gz MLNUEHRZKUAQCI-UHFFFAOYSA-N 1 3 385.577 3.938 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)N(C)C)cc1 ZINC000751086993 928023032 /nfs/dbraw/zinc/02/30/32/928023032.db2.gz PTZVRFATWPSBRO-HRTMPFAESA-N 1 3 386.584 3.694 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000757772787 929795274 /nfs/dbraw/zinc/79/52/74/929795274.db2.gz KXPYGSGZHMYNLE-AUSIDOKSSA-N 1 3 394.563 3.553 20 0 GHADHO COc1cc2c(cc1CNCC[C@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)OCO2 ZINC000546056169 929812191 /nfs/dbraw/zinc/81/21/91/929812191.db2.gz NWLAUTVDJDUGOD-HKUYNNGSSA-N 1 3 382.504 3.814 20 0 GHADHO COc1cc2c(cc1CNCC[C@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000546056169 929812194 /nfs/dbraw/zinc/81/21/94/929812194.db2.gz NWLAUTVDJDUGOD-HKUYNNGSSA-N 1 3 382.504 3.814 20 0 GHADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000470122193 930389714 /nfs/dbraw/zinc/38/97/14/930389714.db2.gz SHROVVISWMLRTE-GOSISDBHSA-N 1 3 381.520 3.721 20 0 GHADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000470122193 930389721 /nfs/dbraw/zinc/38/97/21/930389721.db2.gz SHROVVISWMLRTE-GOSISDBHSA-N 1 3 381.520 3.721 20 0 GHADHO C[C@@H](N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccnn1C1CCC1 ZINC000924963858 931596423 /nfs/dbraw/zinc/59/64/23/931596423.db2.gz MSHVPSDFABHMGD-IAGOWNOFSA-N 1 3 385.531 3.911 20 0 GHADHO CCN(CC)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000558974297 932348297 /nfs/dbraw/zinc/34/82/97/932348297.db2.gz YSUDRKBMXSYOKR-VZKPYBMVSA-N 1 3 377.960 3.712 20 0 GHADHO CCN(CC)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000558974297 932348301 /nfs/dbraw/zinc/34/83/01/932348301.db2.gz YSUDRKBMXSYOKR-VZKPYBMVSA-N 1 3 377.960 3.712 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348941 932607664 /nfs/dbraw/zinc/60/76/64/932607664.db2.gz JKDOPXPBTPXJIF-LADGPHEKSA-N 1 3 394.563 3.501 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348941 932607668 /nfs/dbraw/zinc/60/76/68/932607668.db2.gz JKDOPXPBTPXJIF-LADGPHEKSA-N 1 3 394.563 3.501 20 0 GHADHO CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)cc(Cl)c1OC ZINC000560611457 933385822 /nfs/dbraw/zinc/38/58/22/933385822.db2.gz LIBHRHACZKXQJB-JWTNVVGKSA-N 1 3 396.959 3.821 20 0 GHADHO CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)cc(Cl)c1OC ZINC000560611457 933385827 /nfs/dbraw/zinc/38/58/27/933385827.db2.gz LIBHRHACZKXQJB-JWTNVVGKSA-N 1 3 396.959 3.821 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1)C(C)C ZINC000560677930 933447599 /nfs/dbraw/zinc/44/75/99/933447599.db2.gz PMQOVTUOFACKRX-QHCPKHFHSA-N 1 3 395.547 3.736 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1)C(C)C ZINC000560677930 933447605 /nfs/dbraw/zinc/44/76/05/933447605.db2.gz PMQOVTUOFACKRX-QHCPKHFHSA-N 1 3 395.547 3.736 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(COCC4CC4)c3)CC2)CC1 ZINC000561182059 933938672 /nfs/dbraw/zinc/93/86/72/933938672.db2.gz GZHCYSOVAZSAPN-UHFFFAOYSA-N 1 3 399.579 3.748 20 0 GHADHO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c2ccccc2)cc1 ZINC001120520224 934469073 /nfs/dbraw/zinc/46/90/73/934469073.db2.gz SYJJMZDXTJRPSS-ZFFYZDHPSA-N 1 3 394.559 3.678 20 0 GHADHO CN(C)CCN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000468325137 1015588127 /nfs/dbraw/zinc/58/81/27/1015588127.db2.gz AGHYJRBYTPZKHF-UHFFFAOYSA-N 1 3 386.584 3.688 20 0 GHADHO CCCCN(CC)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1ccccc1 ZINC001220803173 1032127888 /nfs/dbraw/zinc/12/78/88/1032127888.db2.gz CKUNHJCTHAUREH-KURKYZTESA-N 1 3 385.474 3.506 20 0 GHADHO CCCC[N@H+](C)CC1CCN([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048992 1017348115 /nfs/dbraw/zinc/34/81/15/1017348115.db2.gz AYJCALXZKRZYFS-PGRDOPGGSA-N 1 3 389.559 3.932 20 0 GHADHO CCCC[N@@H+](C)CC1CCN([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048992 1017348129 /nfs/dbraw/zinc/34/81/29/1017348129.db2.gz AYJCALXZKRZYFS-PGRDOPGGSA-N 1 3 389.559 3.932 20 0 GHADHO CCC(CC)(CNC(=O)OC(C)(C)C)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC001204288370 1032729133 /nfs/dbraw/zinc/72/91/33/1032729133.db2.gz SWMYUTGUINGMHM-GBESFXJTSA-N 1 3 397.604 3.501 20 0 GHADHO C[C@H]([NH2+]CCc1csc(N2CCCC2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000577211662 1020146076 /nfs/dbraw/zinc/14/60/76/1020146076.db2.gz JJPBDFMZJYAZDK-AZUAARDMSA-N 1 3 384.593 3.786 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204491642 1032925674 /nfs/dbraw/zinc/92/56/74/1032925674.db2.gz IKZIAUCNYMMMEC-QHCPKHFHSA-N 1 3 392.543 3.877 20 0 GHADHO Clc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c2c(n1)CNCC2 ZINC001156315339 1032976747 /nfs/dbraw/zinc/97/67/47/1032976747.db2.gz AURWMYLHMYWYCR-BHIYHBOVSA-N 1 3 382.939 3.703 20 0 GHADHO Clc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c2c(n1)CNCC2 ZINC001156315339 1032976750 /nfs/dbraw/zinc/97/67/50/1032976750.db2.gz AURWMYLHMYWYCR-BHIYHBOVSA-N 1 3 382.939 3.703 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCOC23CCOCC3)ccc1OC ZINC000903389535 1021599529 /nfs/dbraw/zinc/59/95/29/1021599529.db2.gz MVGSBPGEOKVWLU-UTKZUKDTSA-N 1 3 376.541 3.526 20 0 GHADHO CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001138057092 1023962380 /nfs/dbraw/zinc/96/23/80/1023962380.db2.gz GWLUPITUAYOVAL-GOTSBHOMSA-N 1 3 379.548 3.802 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC001138138971 1024209615 /nfs/dbraw/zinc/20/96/15/1024209615.db2.gz YWSYQZUAUXYMCQ-HXUWFJFHSA-N 1 3 383.536 3.762 20 0 GHADHO CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC001138138971 1024209635 /nfs/dbraw/zinc/20/96/35/1024209635.db2.gz YWSYQZUAUXYMCQ-HXUWFJFHSA-N 1 3 383.536 3.762 20 0 GHADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)CC[N@@H+]1C ZINC001138145128 1024227828 /nfs/dbraw/zinc/22/78/28/1024227828.db2.gz OYXXQRBEFFHQDR-DBVUQKKJSA-N 1 3 393.522 3.727 20 0 GHADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)CC[N@H+]1C ZINC001138145128 1024227843 /nfs/dbraw/zinc/22/78/43/1024227843.db2.gz OYXXQRBEFFHQDR-DBVUQKKJSA-N 1 3 393.522 3.727 20 0 GHADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001141316526 1024520085 /nfs/dbraw/zinc/52/00/85/1024520085.db2.gz OKCMMABXRWHZKC-XZOQPEGZSA-N 1 3 383.511 3.828 20 0 GHADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001141316526 1024520097 /nfs/dbraw/zinc/52/00/97/1024520097.db2.gz OKCMMABXRWHZKC-XZOQPEGZSA-N 1 3 383.511 3.828 20 0 GHADHO c1ccc(CN2C[C@H]3C[NH+](Cc4ccc(OC5CCOCC5)cc4)C[C@@H]3C2)cc1 ZINC001141413267 1024933495 /nfs/dbraw/zinc/93/34/95/1024933495.db2.gz MMADMMGILHPDOE-GOTSBHOMSA-N 1 3 392.543 3.808 20 0 GHADHO CN1CCN(C2(c3ccc(Nc4cc[nH+]c(N5CCCC5)c4)cc3)CC2)CC1 ZINC001205102207 1033250567 /nfs/dbraw/zinc/25/05/67/1033250567.db2.gz KECKZDMDPZPWGZ-UHFFFAOYSA-N 1 3 377.536 3.662 20 0 GHADHO c1ccc(C[NH+]2C[C@H]3CN(Cc4ccccc4N4CCCCC4)C[C@@H]3C2)nc1 ZINC001138606364 1025094379 /nfs/dbraw/zinc/09/43/79/1025094379.db2.gz PYKFMQYXISDQOA-FGZHOGPDSA-N 1 3 376.548 3.636 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cnc3[nH]ccc3c1)CC2 ZINC001138738130 1025274314 /nfs/dbraw/zinc/27/43/14/1025274314.db2.gz LQVDXLFSNUMUSJ-QFIPXVFZSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cnc3[nH]ccc3c1)CC2 ZINC001138738130 1025274327 /nfs/dbraw/zinc/27/43/27/1025274327.db2.gz LQVDXLFSNUMUSJ-QFIPXVFZSA-N 1 3 390.531 3.818 20 0 GHADHO COC(=O)c1ccc([C@H]2CCCN2Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001138773300 1025344663 /nfs/dbraw/zinc/34/46/63/1025344663.db2.gz AJMZMZGCWLGGOY-JOCHJYFZSA-N 1 3 382.504 3.751 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000832238647 1025365802 /nfs/dbraw/zinc/36/58/02/1025365802.db2.gz GDKKYNYXZOGNEL-UHFFFAOYSA-N 1 3 383.536 3.975 20 0 GHADHO Cc1ccc2cc(CN3CCN(CC4CC[NH+](C)CC4)CC3)c(Cl)nc2c1 ZINC001138861891 1025483708 /nfs/dbraw/zinc/48/37/08/1025483708.db2.gz BSSNQRWZWDHJDG-UHFFFAOYSA-N 1 3 386.971 3.656 20 0 GHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001141557406 1025532658 /nfs/dbraw/zinc/53/26/58/1025532658.db2.gz FXHMQXSJSHZTLT-ZEQRLZLVSA-N 1 3 391.559 3.647 20 0 GHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001141557404 1025533552 /nfs/dbraw/zinc/53/35/52/1025533552.db2.gz FXHMQXSJSHZTLT-DNQXCXABSA-N 1 3 391.559 3.647 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000839181033 1025690881 /nfs/dbraw/zinc/69/08/81/1025690881.db2.gz GJSZTORXNULMTD-MRXNPFEDSA-N 1 3 378.923 3.854 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000839181033 1025690887 /nfs/dbraw/zinc/69/08/87/1025690887.db2.gz GJSZTORXNULMTD-MRXNPFEDSA-N 1 3 378.923 3.854 20 0 GHADHO COc1ccccc1-c1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001139034502 1025808597 /nfs/dbraw/zinc/80/85/97/1025808597.db2.gz NNWMWQHQNOUNPX-UHFFFAOYSA-N 1 3 393.575 3.822 20 0 GHADHO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000839550832 1026049133 /nfs/dbraw/zinc/04/91/33/1026049133.db2.gz IOHSKTTXWSGCBW-FHWLQOOXSA-N 1 3 379.589 3.876 20 0 GHADHO Cc1c(C)n(-c2ccc(N3CCN(C(C)C)CC3)nc2)c2ccc(C[NH3+])cc12 ZINC001163761212 1026306359 /nfs/dbraw/zinc/30/63/59/1026306359.db2.gz IUOKVLKCJPBJQK-UHFFFAOYSA-N 1 3 377.536 3.631 20 0 GHADHO CN1CCC(CNc2ccc3c(c2)CN(Cc2ccccc2)C3)([NH+](C)C)CC1 ZINC001164216657 1026455625 /nfs/dbraw/zinc/45/56/25/1026455625.db2.gz HFNRBFWIHGPBDX-UHFFFAOYSA-N 1 3 378.564 3.640 20 0 GHADHO C[C@]1(NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001164394760 1026505793 /nfs/dbraw/zinc/50/57/93/1026505793.db2.gz UMELNEUFJNBFDL-DEOSSOPVSA-N 1 3 386.499 3.642 20 0 GHADHO C[C@]1(NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001164394760 1026505804 /nfs/dbraw/zinc/50/58/04/1026505804.db2.gz UMELNEUFJNBFDL-DEOSSOPVSA-N 1 3 386.499 3.642 20 0 GHADHO CC(=O)OCc1ccc(CN2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)o1 ZINC001141783767 1027265615 /nfs/dbraw/zinc/26/56/15/1027265615.db2.gz BZPJPZPQAJZSCM-UHFFFAOYSA-N 1 3 388.533 3.892 20 0 GHADHO CC(=O)OCc1ccc(CN2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)o1 ZINC001141783767 1027265632 /nfs/dbraw/zinc/26/56/32/1027265632.db2.gz BZPJPZPQAJZSCM-UHFFFAOYSA-N 1 3 388.533 3.892 20 0 GHADHO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccccc3-c3ccccc3)CC[C@@H]21 ZINC001142339346 1028720311 /nfs/dbraw/zinc/72/03/11/1028720311.db2.gz PMNZXJOWJHCDFQ-GPXNEJASSA-N 1 3 387.531 3.540 20 0 GHADHO C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccccc3-c3ccccc3)CC[C@@H]21 ZINC001142339346 1028720319 /nfs/dbraw/zinc/72/03/19/1028720319.db2.gz PMNZXJOWJHCDFQ-GPXNEJASSA-N 1 3 387.531 3.540 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@@H+]2CCCc2ccncc2)cc1 ZINC001222576196 1030207945 /nfs/dbraw/zinc/20/79/45/1030207945.db2.gz RQOGOZQEJDAODS-HSZRJFAPSA-N 1 3 379.548 3.818 20 0 GHADHO c1ccc(COC[C@H]2CCC3(CCNCC3)[N@H+]2CCCc2ccncc2)cc1 ZINC001222576196 1030207961 /nfs/dbraw/zinc/20/79/61/1030207961.db2.gz RQOGOZQEJDAODS-HSZRJFAPSA-N 1 3 379.548 3.818 20 0 GHADHO c1c(CN2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc2cc[nH]cc1-2 ZINC001222590496 1030216356 /nfs/dbraw/zinc/21/63/56/1030216356.db2.gz IIPVKJIXVSHIBF-QFIPXVFZSA-N 1 3 390.531 3.866 20 0 GHADHO CCOC(OCC)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222610217 1030234574 /nfs/dbraw/zinc/23/45/74/1030234574.db2.gz VFRIGWCUBYMVHN-QFIPXVFZSA-N 1 3 380.532 3.947 20 0 GHADHO CCOC(OCC)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222610217 1030234588 /nfs/dbraw/zinc/23/45/88/1030234588.db2.gz VFRIGWCUBYMVHN-QFIPXVFZSA-N 1 3 380.532 3.947 20 0 GHADHO FC(F)(F)Oc1cc(Br)cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222629802 1030250175 /nfs/dbraw/zinc/25/01/75/1030250175.db2.gz PKFXCLLCPXOYCD-BETUJISGSA-N 1 3 393.247 3.779 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)CC(C)C ZINC001223089972 1030434780 /nfs/dbraw/zinc/43/47/80/1030434780.db2.gz UBUHKDKDFNNSEP-VXKWHMMOSA-N 1 3 388.600 3.707 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H]6C[C@@H]([NH2+]C)C6)cc54)O[C@H](CN3C1)C2 ZINC001217957321 1030688629 /nfs/dbraw/zinc/68/86/29/1030688629.db2.gz XNAYEMWZJJKSCJ-ZMASHJLESA-N 1 3 393.531 3.678 20 0 GHADHO Cc1ccc(Oc2ncccc2NC(=O)[C@@H](N)CCCC[NH+](C)C)c2c1CCC2 ZINC001218500554 1030963649 /nfs/dbraw/zinc/96/36/49/1030963649.db2.gz KKCVTEDKIKAHHT-IBGZPJMESA-N 1 3 396.535 3.669 20 0 GHADHO CC[N@H+](CCCC(=O)Nc1cccc2c1CNC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC001218993392 1031199358 /nfs/dbraw/zinc/19/93/58/1031199358.db2.gz NQSKAZXHPAYEJK-SFHVURJKSA-N 1 3 395.547 3.970 20 0 GHADHO CC[N@@H+](CCCC(=O)Nc1cccc2c1CNC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC001218993392 1031199368 /nfs/dbraw/zinc/19/93/68/1031199368.db2.gz NQSKAZXHPAYEJK-SFHVURJKSA-N 1 3 395.547 3.970 20 0 GHADHO CN1Cc2c(NC(=O)Cc3ccc(CC[NH3+])cc3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046800 1031227178 /nfs/dbraw/zinc/22/71/78/1031227178.db2.gz JDDKVIAYAUBSCA-HSZRJFAPSA-N 1 3 399.538 3.946 20 0 GHADHO CN1Cc2c(NC(=O)C(F)(F)C3CC[NH2+]CC3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046882 1031228411 /nfs/dbraw/zinc/22/84/11/1031228411.db2.gz LFNIHOQOKFKGPU-LJQANCHMSA-N 1 3 399.485 3.837 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001219999250 1031738382 /nfs/dbraw/zinc/73/83/82/1031738382.db2.gz OCUDOCLIPNYGSY-XMMPIXPASA-N 1 3 391.559 3.796 20 0 GHADHO CC(=O)NC[C@@H]1CCC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001461836672 1069781444 /nfs/dbraw/zinc/78/14/44/1069781444.db2.gz AOHPYKDPYNUHPR-UPVQGACJSA-N 1 3 385.596 3.773 20 0 GHADHO CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001461836672 1069781458 /nfs/dbraw/zinc/78/14/58/1069781458.db2.gz AOHPYKDPYNUHPR-UPVQGACJSA-N 1 3 385.596 3.773 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CCC[C@](F)(C[NH3+])CC3)c2n1 ZINC001205580127 1033477736 /nfs/dbraw/zinc/47/77/36/1033477736.db2.gz QHSNVJDSAJVDJP-GOSISDBHSA-N 1 3 396.304 3.659 20 0 GHADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001157413766 1033574545 /nfs/dbraw/zinc/57/45/45/1033574545.db2.gz NYENKEJSFSQOTF-GOSISDBHSA-N 1 3 392.425 3.580 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cncc(OC)c4)CC3)CC2)c1 ZINC001206997883 1034047794 /nfs/dbraw/zinc/04/77/94/1034047794.db2.gz YZMLRKZRWMEOPF-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCOCc1ccccc1)CC2 ZINC001207234709 1034201529 /nfs/dbraw/zinc/20/15/29/1034201529.db2.gz XWCWRKTWZMUJLW-XMMPIXPASA-N 1 3 394.559 3.959 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001207244562 1034206203 /nfs/dbraw/zinc/20/62/03/1034206203.db2.gz DMJUDXOIEXGCFB-VQTJNVASSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001207244562 1034206206 /nfs/dbraw/zinc/20/62/06/1034206206.db2.gz DMJUDXOIEXGCFB-VQTJNVASSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001207244562 1034206215 /nfs/dbraw/zinc/20/62/15/1034206215.db2.gz DMJUDXOIEXGCFB-VQTJNVASSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001207244563 1034207058 /nfs/dbraw/zinc/20/70/58/1034207058.db2.gz DMJUDXOIEXGCFB-WOJBJXKFSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001207244563 1034207063 /nfs/dbraw/zinc/20/70/63/1034207063.db2.gz DMJUDXOIEXGCFB-WOJBJXKFSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](CN2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001207244563 1034207065 /nfs/dbraw/zinc/20/70/65/1034207065.db2.gz DMJUDXOIEXGCFB-WOJBJXKFSA-N 1 3 379.589 3.974 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268416 1034224005 /nfs/dbraw/zinc/22/40/05/1034224005.db2.gz LTWRIRRTYJLLLD-PDYGVTHMSA-N 1 3 377.573 3.773 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268416 1034224016 /nfs/dbraw/zinc/22/40/16/1034224016.db2.gz LTWRIRRTYJLLLD-PDYGVTHMSA-N 1 3 377.573 3.773 20 0 GHADHO CC(C)(C)OC(=O)N1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC12CC2 ZINC001207292780 1034245695 /nfs/dbraw/zinc/24/56/95/1034245695.db2.gz ZKKPRYMOOSUPGL-UHFFFAOYSA-N 1 3 399.579 3.984 20 0 GHADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccc2ccccc21 ZINC001230858185 1034253932 /nfs/dbraw/zinc/25/39/32/1034253932.db2.gz IRODAXUGARPTMI-AVRDEDQJSA-N 1 3 384.568 3.862 20 0 GHADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccc2ccccc21 ZINC001230858185 1034253948 /nfs/dbraw/zinc/25/39/48/1034253948.db2.gz IRODAXUGARPTMI-AVRDEDQJSA-N 1 3 384.568 3.862 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001207376738 1034321262 /nfs/dbraw/zinc/32/12/62/1034321262.db2.gz ZQMDOOSDLYAQOI-QPPBQGQZSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001207376738 1034321273 /nfs/dbraw/zinc/32/12/73/1034321273.db2.gz ZQMDOOSDLYAQOI-QPPBQGQZSA-N 1 3 399.579 3.984 20 0 GHADHO COc1ccccc1CC[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001207452835 1034374702 /nfs/dbraw/zinc/37/47/02/1034374702.db2.gz RENTUHSUPMYMKV-QHCPKHFHSA-N 1 3 394.559 3.993 20 0 GHADHO C[C@H](c1ccc(Br)cc1)N1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207488944 1034396577 /nfs/dbraw/zinc/39/65/77/1034396577.db2.gz TVMTUVXHZZYQCF-QGZVFWFLSA-N 1 3 394.401 3.860 20 0 GHADHO CC(C)c1ccc(CC[NH+]2CCC(N3CCC(C(=O)N(C)C)CC3)CC2)cc1 ZINC001207520352 1034424154 /nfs/dbraw/zinc/42/41/54/1034424154.db2.gz CBSZQMMNAQKRTI-UHFFFAOYSA-N 1 3 385.596 3.617 20 0 GHADHO Cc1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(N2CCCC2)n1 ZINC001159287984 1034525025 /nfs/dbraw/zinc/52/50/25/1034525025.db2.gz IHJRATLGTKULEU-MZADTFQBSA-N 1 3 377.536 3.993 20 0 GHADHO Cc1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(N2CCCC2)n1 ZINC001159287984 1034525035 /nfs/dbraw/zinc/52/50/35/1034525035.db2.gz IHJRATLGTKULEU-MZADTFQBSA-N 1 3 377.536 3.993 20 0 GHADHO CN(C)c1cc[nH+]c(NC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC001159518909 1034634936 /nfs/dbraw/zinc/63/49/36/1034634936.db2.gz ANTPHQIIZDFLKX-QHCPKHFHSA-N 1 3 390.531 3.623 20 0 GHADHO C[C@@H](c1ccc(Br)cc1)N1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208115273 1034741140 /nfs/dbraw/zinc/74/11/40/1034741140.db2.gz IWCPCHOWHFNNNM-KRWDZBQOSA-N 1 3 394.401 3.860 20 0 GHADHO CC(C)c1ccc(-c2cc(C(F)(F)N[C@H](N)CCC[NH3+])c(Cl)nn2)cc1 ZINC001159789891 1034743078 /nfs/dbraw/zinc/74/30/78/1034743078.db2.gz YUFVFTPFQKAYEA-INIZCTEOSA-N 1 3 383.874 3.583 20 0 GHADHO COCCCOc1cc(CN2CCC(C3CC[NH+](C)CC3)CC2)ccc1OC ZINC001231611875 1034766476 /nfs/dbraw/zinc/76/64/76/1034766476.db2.gz JGDDUUDRLGLNAJ-UHFFFAOYSA-N 1 3 390.568 3.664 20 0 GHADHO CN(C)CC1(C[N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CCCC1 ZINC001208186832 1034782395 /nfs/dbraw/zinc/78/23/95/1034782395.db2.gz ZRZWTCAJZJTXMJ-UHFFFAOYSA-N 1 3 384.490 3.735 20 0 GHADHO CN(C)CC1(C[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CCCC1 ZINC001208186832 1034782405 /nfs/dbraw/zinc/78/24/05/1034782405.db2.gz ZRZWTCAJZJTXMJ-UHFFFAOYSA-N 1 3 384.490 3.735 20 0 GHADHO CN(C)CC1(C[N@@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CCCC1 ZINC001208185498 1034782454 /nfs/dbraw/zinc/78/24/54/1034782454.db2.gz OVAYAWRFKHSKNG-QXAKKESOSA-N 1 3 375.582 3.904 20 0 GHADHO CN(C)CC1(C[N@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CCCC1 ZINC001208185498 1034782465 /nfs/dbraw/zinc/78/24/65/1034782465.db2.gz OVAYAWRFKHSKNG-QXAKKESOSA-N 1 3 375.582 3.904 20 0 GHADHO Nc1c(F)cccc1N(C1=CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160063139 1034848633 /nfs/dbraw/zinc/84/86/33/1034848633.db2.gz SGOMESXIBIPCSV-UHFFFAOYSA-N 1 3 380.511 3.756 20 0 GHADHO CC[NH+]1CCC(CN2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001208593183 1034948115 /nfs/dbraw/zinc/94/81/15/1034948115.db2.gz PMPHHERGQZFZRQ-VXKWHMMOSA-N 1 3 399.579 3.937 20 0 GHADHO C[N@@H+]1CCC[C@H](CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)C1 ZINC001208613268 1034955019 /nfs/dbraw/zinc/95/50/19/1034955019.db2.gz LLHPENJMQBIJBZ-IBGZPJMESA-N 1 3 389.547 3.918 20 0 GHADHO C[N@H+]1CCC[C@H](CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)C1 ZINC001208613268 1034955026 /nfs/dbraw/zinc/95/50/26/1034955026.db2.gz LLHPENJMQBIJBZ-IBGZPJMESA-N 1 3 389.547 3.918 20 0 GHADHO COc1ccc(CC[NH+]2CCC(N3CCc4ccccc4C3)CC2)cc1OC ZINC001208759935 1035004319 /nfs/dbraw/zinc/00/43/19/1035004319.db2.gz AGAKIGSASBACQT-UHFFFAOYSA-N 1 3 380.532 3.769 20 0 GHADHO Cc1cc(F)ncc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001231982537 1035023089 /nfs/dbraw/zinc/02/30/89/1035023089.db2.gz DYEJNDKLYWKNGX-OAQYLSRUSA-N 1 3 383.511 3.785 20 0 GHADHO Cc1cc(F)ncc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001231982537 1035023098 /nfs/dbraw/zinc/02/30/98/1035023098.db2.gz DYEJNDKLYWKNGX-OAQYLSRUSA-N 1 3 383.511 3.785 20 0 GHADHO O=C([C@@H]1CCCC[NH2+]C1)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160680216 1035033547 /nfs/dbraw/zinc/03/35/47/1035033547.db2.gz RONNZEKQLVXPOU-RPWUZVMVSA-N 1 3 391.559 3.679 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCN2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930918 1035094406 /nfs/dbraw/zinc/09/44/06/1035094406.db2.gz GDSJFYQFNGNXAZ-FSSWDIPSSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCN2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930918 1035094413 /nfs/dbraw/zinc/09/44/13/1035094413.db2.gz GDSJFYQFNGNXAZ-FSSWDIPSSA-N 1 3 399.579 3.982 20 0 GHADHO O=C(NC1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)C1CCCC1 ZINC001208936210 1035103162 /nfs/dbraw/zinc/10/31/62/1035103162.db2.gz MPKLMDOKHQRYEZ-OAQYLSRUSA-N 1 3 383.580 3.669 20 0 GHADHO O=C(NC1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)C1CCCC1 ZINC001208936210 1035103165 /nfs/dbraw/zinc/10/31/65/1035103165.db2.gz MPKLMDOKHQRYEZ-OAQYLSRUSA-N 1 3 383.580 3.669 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)C1(CC2CCC2)CC[NH2+]CC1 ZINC001160955955 1035105706 /nfs/dbraw/zinc/10/57/06/1035105706.db2.gz CZNVFEGJUWDEOM-REWPJTCUSA-N 1 3 397.607 3.915 20 0 GHADHO CN(CCN(C)C(=O)C[C@@H]([NH3+])Cc1csc2ccccc12)Cc1ccccc1 ZINC001161161114 1035163421 /nfs/dbraw/zinc/16/34/21/1035163421.db2.gz NIWNAYROWCINPQ-FQEVSTJZSA-N 1 3 395.572 3.752 20 0 GHADHO COC(=O)CCCCCCCCC[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001209096946 1035172572 /nfs/dbraw/zinc/17/25/72/1035172572.db2.gz PHJPJPYVJSCJQD-UHFFFAOYSA-N 1 3 382.589 3.855 20 0 GHADHO Cc1cc(F)cc(CN(C(=O)[C@@H](N)CCCc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001161282204 1035201334 /nfs/dbraw/zinc/20/13/34/1035201334.db2.gz UVCAORJILMDRBD-QHCPKHFHSA-N 1 3 397.538 3.565 20 0 GHADHO C[N@@H+]1CC[C@@H]2CN(CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]2C1 ZINC001209311662 1035238475 /nfs/dbraw/zinc/23/84/75/1035238475.db2.gz IFYNLWBMBWIKPM-MOPGFXCFSA-N 1 3 379.589 3.830 20 0 GHADHO C[N@H+]1CC[C@@H]2CN(CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]2C1 ZINC001209311662 1035238478 /nfs/dbraw/zinc/23/84/78/1035238478.db2.gz IFYNLWBMBWIKPM-MOPGFXCFSA-N 1 3 379.589 3.830 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001209367327 1035256099 /nfs/dbraw/zinc/25/60/99/1035256099.db2.gz KNNBPCLYUWTGRG-UHFFFAOYSA-N 1 3 387.568 3.889 20 0 GHADHO c1ccc(C[NH+]2CCC3(CCN(Cc4cc5c(cn4)OCCC5)C3)CC2)cc1 ZINC001209503457 1035294308 /nfs/dbraw/zinc/29/43/08/1035294308.db2.gz ZFKJPRJWWKZOPP-UHFFFAOYSA-N 1 3 377.532 3.895 20 0 GHADHO CC(C)N1CCN(c2ccc(C3=CC[N@H+](Cc4ccccc4)CC3)cn2)CC1 ZINC001241504748 1035597962 /nfs/dbraw/zinc/59/79/62/1035597962.db2.gz ZGKRKVICMWNLLU-UHFFFAOYSA-N 1 3 376.548 3.901 20 0 GHADHO CC(C)N1CCN(c2ccc(C3=CC[N@@H+](Cc4ccccc4)CC3)cn2)CC1 ZINC001241504748 1035597970 /nfs/dbraw/zinc/59/79/70/1035597970.db2.gz ZGKRKVICMWNLLU-UHFFFAOYSA-N 1 3 376.548 3.901 20 0 GHADHO C[C@H]([NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)c1ccccc1C(F)(F)F ZINC001245993900 1037115040 /nfs/dbraw/zinc/11/50/40/1037115040.db2.gz IUONEGNDVDFBJE-FJNPEDAXSA-N 1 3 388.380 3.565 20 0 GHADHO CCCN(C[C@H](O)COc1cccc2[nH]c3ccccc3c21)C1CC[NH2+]CC1 ZINC001246060015 1037172528 /nfs/dbraw/zinc/17/25/28/1037172528.db2.gz BSOCMVFFOTYNKI-SFHVURJKSA-N 1 3 381.520 3.525 20 0 GHADHO CCC[N@H+](C[C@H](O)COc1cccc2[nH]c3ccccc3c21)C1CCNCC1 ZINC001246060015 1037172541 /nfs/dbraw/zinc/17/25/41/1037172541.db2.gz BSOCMVFFOTYNKI-SFHVURJKSA-N 1 3 381.520 3.525 20 0 GHADHO CCC[N@@H+](C[C@H](O)COc1cccc2[nH]c3ccccc3c21)C1CCNCC1 ZINC001246060015 1037172570 /nfs/dbraw/zinc/17/25/70/1037172570.db2.gz BSOCMVFFOTYNKI-SFHVURJKSA-N 1 3 381.520 3.525 20 0 GHADHO Cc1ccc2c(c1)C1(C[C@@H]2N[C@H](C)CS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC001246167417 1037221284 /nfs/dbraw/zinc/22/12/84/1037221284.db2.gz DWXFFMDVUIKQCZ-GCJKJVERSA-N 1 3 398.572 3.513 20 0 GHADHO Cc1cccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CCC3(CC2)OCCO3)c1 ZINC001246329111 1037297957 /nfs/dbraw/zinc/29/79/57/1037297957.db2.gz NNPZJABVDQGODV-KOUNCHBCSA-N 1 3 384.564 3.813 20 0 GHADHO COc1ccccc1CN1CC[C@H](N[C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246360814 1037320316 /nfs/dbraw/zinc/32/03/16/1037320316.db2.gz IILIUSYQZSXOGU-FUDKSRODSA-N 1 3 397.538 3.800 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246381018 1037339303 /nfs/dbraw/zinc/33/93/03/1037339303.db2.gz MWZZKWHMLWNLBX-FUHWJXTLSA-N 1 3 378.944 3.716 20 0 GHADHO C[C@H]1CC([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)C[C@H](C)N1 ZINC001246417815 1037372209 /nfs/dbraw/zinc/37/22/09/1037372209.db2.gz VTGVHNQEGGUUBK-HOTGVXAUSA-N 1 3 395.385 3.907 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H](NC2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246418977 1037375074 /nfs/dbraw/zinc/37/50/74/1037375074.db2.gz BQDNTUSUGBRBMY-QAPCUYQASA-N 1 3 398.469 3.996 20 0 GHADHO COC(=O)[C@H]1CCC[C@H](NC2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CC1 ZINC001246453544 1037413917 /nfs/dbraw/zinc/41/39/17/1037413917.db2.gz XBCJMCZWHIEVOC-HOTGVXAUSA-N 1 3 398.469 3.996 20 0 GHADHO CC(=O)Oc1ccc(C2CCC([NH+]3CCC(C4=CC=C(N)CN4)CC3)CC2)cc1 ZINC001246494920 1037439766 /nfs/dbraw/zinc/43/97/66/1037439766.db2.gz MRTVBGOLNAWBTQ-UHFFFAOYSA-N 1 3 395.547 3.680 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@H](C)[C@H](CN)C2)CC1 ZINC001246548602 1037477191 /nfs/dbraw/zinc/47/71/91/1037477191.db2.gz FJLHFXXANBVMRI-ZIMDUQAISA-N 1 3 378.944 3.610 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@H](C)[C@H](CN)C2)CC1 ZINC001246548602 1037477214 /nfs/dbraw/zinc/47/72/14/1037477214.db2.gz FJLHFXXANBVMRI-ZIMDUQAISA-N 1 3 378.944 3.610 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246583713 1037488715 /nfs/dbraw/zinc/48/87/15/1037488715.db2.gz RNHZVOBOBQAQHK-YQHFOJDRSA-N 1 3 378.944 3.754 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246583713 1037488738 /nfs/dbraw/zinc/48/87/38/1037488738.db2.gz RNHZVOBOBQAQHK-YQHFOJDRSA-N 1 3 378.944 3.754 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246605658 1037501883 /nfs/dbraw/zinc/50/18/83/1037501883.db2.gz CCJWLKLEKOIRMP-NJEKYYFSSA-N 1 3 390.955 3.911 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246605658 1037501892 /nfs/dbraw/zinc/50/18/92/1037501892.db2.gz CCJWLKLEKOIRMP-NJEKYYFSSA-N 1 3 390.955 3.911 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246718059 1037570480 /nfs/dbraw/zinc/57/04/80/1037570480.db2.gz HRCWWLJCSWPAOR-HWBMXIPRSA-N 1 3 397.607 3.710 20 0 GHADHO CC[C@H]1C[C@H](N2CCC3(CC2)Cc2ccccc2CN(CC(C)C)C3=O)CC[NH2+]1 ZINC001246754130 1037595135 /nfs/dbraw/zinc/59/51/35/1037595135.db2.gz SOGKTCTWDDAMLI-XZOQPEGZSA-N 1 3 397.607 3.840 20 0 GHADHO CC(C)CN1c2ccccc2[C@@]2(CCN([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)C1=O ZINC001246780876 1037620257 /nfs/dbraw/zinc/62/02/57/1037620257.db2.gz VVPVWIZMZMFANZ-JLGINSKQSA-N 1 3 383.580 3.799 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@H]4[C@@H](CCN4Cc4ccccc4)C3)CCN2)cc1 ZINC001246805613 1037640219 /nfs/dbraw/zinc/64/02/19/1037640219.db2.gz KLULTRZVEOXQBC-LIONHTAISA-N 1 3 375.560 3.556 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@H]4[C@@H](CCN4Cc4ccccc4)C3)CCN2)cc1 ZINC001246805613 1037640237 /nfs/dbraw/zinc/64/02/37/1037640237.db2.gz KLULTRZVEOXQBC-LIONHTAISA-N 1 3 375.560 3.556 20 0 GHADHO O=C1N(CC2CC2)c2ccccc2[C@]12CCN([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246808169 1037643003 /nfs/dbraw/zinc/64/30/03/1037643003.db2.gz RLPLFYUUXMVLAD-CJFMBICVSA-N 1 3 393.575 3.842 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+](C)C[C@H]2CCCNC2)CC1 ZINC001246839169 1037668738 /nfs/dbraw/zinc/66/87/38/1037668738.db2.gz BRQBNTMUWSDNMA-YQHFOJDRSA-N 1 3 378.944 3.625 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)C[C@H]2CCCNC2)CC1 ZINC001246839169 1037668743 /nfs/dbraw/zinc/66/87/43/1037668743.db2.gz BRQBNTMUWSDNMA-YQHFOJDRSA-N 1 3 378.944 3.625 20 0 GHADHO COC(=O)C[C@H](C)N(Cc1ccccc1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246893261 1037709577 /nfs/dbraw/zinc/70/95/77/1037709577.db2.gz VIVXFFONSWMKOM-VJBMBRPKSA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246893261 1037709590 /nfs/dbraw/zinc/70/95/90/1037709590.db2.gz VIVXFFONSWMKOM-VJBMBRPKSA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246893261 1037709600 /nfs/dbraw/zinc/70/96/00/1037709600.db2.gz VIVXFFONSWMKOM-VJBMBRPKSA-N 1 3 380.532 3.804 20 0 GHADHO CCOC(=O)C1(C)CCC([N@H+](Cc2cccc(F)c2)C2CCNCC2)CC1 ZINC001246934400 1037737645 /nfs/dbraw/zinc/73/76/45/1037737645.db2.gz DPWDQQIIZKPGRT-UHFFFAOYSA-N 1 3 376.516 3.892 20 0 GHADHO CCOC(=O)C1(C)CCC([N@@H+](Cc2cccc(F)c2)C2CCNCC2)CC1 ZINC001246934400 1037737660 /nfs/dbraw/zinc/73/76/60/1037737660.db2.gz DPWDQQIIZKPGRT-UHFFFAOYSA-N 1 3 376.516 3.892 20 0 GHADHO COc1ccc(C[N@H+](C2CCNCC2)[C@@H]2CCc3c(cccc3OC)C2)cc1F ZINC001246959455 1037776901 /nfs/dbraw/zinc/77/69/01/1037776901.db2.gz IPWKOOQERPQVKG-HXUWFJFHSA-N 1 3 398.522 3.954 20 0 GHADHO COc1ccc(C[N@@H+](C2CCNCC2)[C@@H]2CCc3c(cccc3OC)C2)cc1F ZINC001246959455 1037776924 /nfs/dbraw/zinc/77/69/24/1037776924.db2.gz IPWKOOQERPQVKG-HXUWFJFHSA-N 1 3 398.522 3.954 20 0 GHADHO COc1ccc(CN(C2CC[NH2+]CC2)[C@@H]2CCc3c(cccc3OC)C2)cc1F ZINC001246959455 1037776941 /nfs/dbraw/zinc/77/69/41/1037776941.db2.gz IPWKOOQERPQVKG-HXUWFJFHSA-N 1 3 398.522 3.954 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1ccc(C(C)(C)O)nc1)CC2 ZINC001232825313 1038579208 /nfs/dbraw/zinc/57/92/08/1038579208.db2.gz PYDAVUJEZZLZJH-OAQYLSRUSA-N 1 3 383.536 3.779 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1ccc(C(C)(C)O)nc1)CC2 ZINC001232825313 1038579212 /nfs/dbraw/zinc/57/92/12/1038579212.db2.gz PYDAVUJEZZLZJH-OAQYLSRUSA-N 1 3 383.536 3.779 20 0 GHADHO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252289611 1038926544 /nfs/dbraw/zinc/92/65/44/1038926544.db2.gz ZNCIEXRGNJMZGP-DQEYMECFSA-N 1 3 394.559 3.552 20 0 GHADHO O[C@H](COCc1ccccc1)C[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252289611 1038926546 /nfs/dbraw/zinc/92/65/46/1038926546.db2.gz ZNCIEXRGNJMZGP-DQEYMECFSA-N 1 3 394.559 3.552 20 0 GHADHO CSc1cccc(Cl)c1CN1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001233351580 1039166887 /nfs/dbraw/zinc/16/68/87/1039166887.db2.gz YDLRGCQFQIZOEN-SJORKVTESA-N 1 3 390.984 3.749 20 0 GHADHO CSc1cccc(Cl)c1CN1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001233351580 1039166896 /nfs/dbraw/zinc/16/68/96/1039166896.db2.gz YDLRGCQFQIZOEN-SJORKVTESA-N 1 3 390.984 3.749 20 0 GHADHO C[C@H]1CC[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001462343787 1070186789 /nfs/dbraw/zinc/18/67/89/1070186789.db2.gz QRKBLPGBKDXFAN-ICSRJNTNSA-N 1 3 387.568 3.934 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC001252931456 1039268088 /nfs/dbraw/zinc/26/80/88/1039268088.db2.gz KRHDFTBWHZIBLX-FPOVZHCZSA-N 1 3 380.621 3.793 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC001252931456 1039268105 /nfs/dbraw/zinc/26/81/05/1039268105.db2.gz KRHDFTBWHZIBLX-FPOVZHCZSA-N 1 3 380.621 3.793 20 0 GHADHO OC1(C[NH2+][C@H](c2ccnc(Cl)c2)C2CC2)CCN(Cc2ccccc2)CC1 ZINC001254051125 1039975396 /nfs/dbraw/zinc/97/53/96/1039975396.db2.gz XACZAFXIEPKZKO-NRFANRHFSA-N 1 3 385.939 3.803 20 0 GHADHO FC1(F)CCC([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CC1 ZINC001254221144 1040076025 /nfs/dbraw/zinc/07/60/25/1040076025.db2.gz PQWHFRMKCALAAH-UHFFFAOYSA-N 1 3 379.495 3.574 20 0 GHADHO Fc1cnc(Br)cc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235094844 1040584976 /nfs/dbraw/zinc/58/49/76/1040584976.db2.gz PWOOXOAEPYADCA-UHFFFAOYSA-N 1 3 390.300 3.620 20 0 GHADHO CCOc1cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc(Br)c1[O-] ZINC001235152188 1040644954 /nfs/dbraw/zinc/64/49/54/1040644954.db2.gz DKSRZZAKICAPID-QGZVFWFLSA-N 1 3 397.357 3.908 20 0 GHADHO CCOc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc(Br)c1[O-] ZINC001235152188 1040644965 /nfs/dbraw/zinc/64/49/65/1040644965.db2.gz DKSRZZAKICAPID-QGZVFWFLSA-N 1 3 397.357 3.908 20 0 GHADHO [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254939470 1040678973 /nfs/dbraw/zinc/67/89/73/1040678973.db2.gz GTQNYLCDUYUTJW-VQFNDLOPSA-N 1 3 380.454 3.799 20 0 GHADHO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001462481681 1070291093 /nfs/dbraw/zinc/29/10/93/1070291093.db2.gz OYBRPQWTHOZJFB-MISYRCLQSA-N 1 3 379.589 3.876 20 0 GHADHO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001462481685 1070291317 /nfs/dbraw/zinc/29/13/17/1070291317.db2.gz OYBRPQWTHOZJFB-RLLQIKCJSA-N 1 3 379.589 3.876 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131028 1040824275 /nfs/dbraw/zinc/82/42/75/1040824275.db2.gz LUGRYZRRWCNVEA-CWBXHPNXSA-N 1 3 376.548 3.836 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131028 1040824293 /nfs/dbraw/zinc/82/42/93/1040824293.db2.gz LUGRYZRRWCNVEA-CWBXHPNXSA-N 1 3 376.548 3.836 20 0 GHADHO C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137801 1040842329 /nfs/dbraw/zinc/84/23/29/1040842329.db2.gz XWRHNGXVXYQXLD-LGKHCZOZSA-N 1 3 382.470 3.817 20 0 GHADHO C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137801 1040842341 /nfs/dbraw/zinc/84/23/41/1040842341.db2.gz XWRHNGXVXYQXLD-LGKHCZOZSA-N 1 3 382.470 3.817 20 0 GHADHO CCN1C(=O)CCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255139530 1040845170 /nfs/dbraw/zinc/84/51/70/1040845170.db2.gz FABUERYPSCFSEK-KOUNCHBCSA-N 1 3 381.564 3.659 20 0 GHADHO CCN1C(=O)CCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255139530 1040845179 /nfs/dbraw/zinc/84/51/79/1040845179.db2.gz FABUERYPSCFSEK-KOUNCHBCSA-N 1 3 381.564 3.659 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235364090 1040853297 /nfs/dbraw/zinc/85/32/97/1040853297.db2.gz KYLZIRRJZRROEI-QDNNMPSSSA-N 1 3 384.564 3.609 20 0 GHADHO CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235364090 1040853320 /nfs/dbraw/zinc/85/33/20/1040853320.db2.gz KYLZIRRJZRROEI-QDNNMPSSSA-N 1 3 384.564 3.609 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC(Oc4ncccn4)CC2)C3)cc1 ZINC001255145901 1040858576 /nfs/dbraw/zinc/85/85/76/1040858576.db2.gz XCGRKFTXDRFICN-AERCQKQUSA-N 1 3 378.520 3.515 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CCCN(c4cccnc4)CC2)C3)cc1 ZINC001255148899 1040864844 /nfs/dbraw/zinc/86/48/44/1040864844.db2.gz CWBBXFYZKJYNBG-FIDNPTQWSA-N 1 3 376.548 3.789 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CCCN(c4cccnc4)CC2)C3)cc1 ZINC001255148899 1040864855 /nfs/dbraw/zinc/86/48/55/1040864855.db2.gz CWBBXFYZKJYNBG-FIDNPTQWSA-N 1 3 376.548 3.789 20 0 GHADHO COc1ccnc(O[C@H]2CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c1 ZINC001255150085 1040866045 /nfs/dbraw/zinc/86/60/45/1040866045.db2.gz LNXYBTKUWBLMLK-KGSLCBSSSA-N 1 3 393.531 3.739 20 0 GHADHO COc1ccnc(O[C@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c1 ZINC001255150085 1040866052 /nfs/dbraw/zinc/86/60/52/1040866052.db2.gz LNXYBTKUWBLMLK-KGSLCBSSSA-N 1 3 393.531 3.739 20 0 GHADHO CC(=O)Nc1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(C)c1 ZINC001235372820 1040880007 /nfs/dbraw/zinc/88/00/07/1040880007.db2.gz VEBYQLBMESSPKF-UPVQGACJSA-N 1 3 377.532 3.707 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001255349564 1040955947 /nfs/dbraw/zinc/95/59/47/1040955947.db2.gz NMIIKCDWKGZQQU-QUCCMNQESA-N 1 3 376.516 3.749 20 0 GHADHO c1c2c(nn1CC1CC1)[C@@H](C[NH2+][C@H]1CCCN(Cc3ccccc3)CC1)OCC2 ZINC001255383480 1040973854 /nfs/dbraw/zinc/97/38/54/1040973854.db2.gz JZBZWNXYFVGKJL-XZOQPEGZSA-N 1 3 394.563 3.551 20 0 GHADHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(CCC[NH2+]C1CCCCC1)CC2 ZINC001235520030 1040973932 /nfs/dbraw/zinc/97/39/32/1040973932.db2.gz YRAUBVLNDBJIKP-NRFANRHFSA-N 1 3 389.584 3.647 20 0 GHADHO O=C(C[C@H]1CC2(CCN(CC[C@H]3CCCC[NH2+]3)CC2)c2ccccc21)NC1CC1 ZINC001235539465 1040980547 /nfs/dbraw/zinc/98/05/47/1040980547.db2.gz ZSBFBXSECDLQCE-VQTJNVASSA-N 1 3 395.591 3.708 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC[C@@H]1F ZINC001255399371 1040984768 /nfs/dbraw/zinc/98/47/68/1040984768.db2.gz QVBXPOHIXNTAEJ-GBESFXJTSA-N 1 3 388.449 3.768 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC[C@@H]1F ZINC001255399371 1040984775 /nfs/dbraw/zinc/98/47/75/1040984775.db2.gz QVBXPOHIXNTAEJ-GBESFXJTSA-N 1 3 388.449 3.768 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402582 1040989020 /nfs/dbraw/zinc/98/90/20/1040989020.db2.gz JUBCQUJUTQFFGR-ISKFKSNPSA-N 1 3 383.580 3.764 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402582 1040989027 /nfs/dbraw/zinc/98/90/27/1040989027.db2.gz JUBCQUJUTQFFGR-ISKFKSNPSA-N 1 3 383.580 3.764 20 0 GHADHO Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)n1 ZINC001255408815 1040995575 /nfs/dbraw/zinc/99/55/75/1040995575.db2.gz BZTLDXNXWGROPD-FGZHOGPDSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)n1 ZINC001255408815 1040995576 /nfs/dbraw/zinc/99/55/76/1040995576.db2.gz BZTLDXNXWGROPD-FGZHOGPDSA-N 1 3 380.536 3.683 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001255606799 1041161222 /nfs/dbraw/zinc/16/12/22/1041161222.db2.gz FWUMGRADYLTYQT-OFNKIYASSA-N 1 3 385.552 3.594 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001255606799 1041161233 /nfs/dbraw/zinc/16/12/33/1041161233.db2.gz FWUMGRADYLTYQT-OFNKIYASSA-N 1 3 385.552 3.594 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]21 ZINC001255680555 1041212498 /nfs/dbraw/zinc/21/24/98/1041212498.db2.gz ZNDUINNQBYODKM-DRZOYWMVSA-N 1 3 382.596 3.629 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]21 ZINC001255680555 1041212513 /nfs/dbraw/zinc/21/25/13/1041212513.db2.gz ZNDUINNQBYODKM-DRZOYWMVSA-N 1 3 382.596 3.629 20 0 GHADHO Cn1cc(CN2CCCC23CC[NH+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717029 1041245172 /nfs/dbraw/zinc/24/51/72/1041245172.db2.gz PZWQWXLNAUHZMD-QZTJIDSGSA-N 1 3 384.490 3.972 20 0 GHADHO COc1cncc(C[N@H+](C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC001462532281 1070334967 /nfs/dbraw/zinc/33/49/67/1070334967.db2.gz ZDKQFPBKIMVAKU-HDICACEKSA-N 1 3 383.536 3.640 20 0 GHADHO COc1cncc(C[N@@H+](C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC001462532281 1070334984 /nfs/dbraw/zinc/33/49/84/1070334984.db2.gz ZDKQFPBKIMVAKU-HDICACEKSA-N 1 3 383.536 3.640 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001255918801 1041404166 /nfs/dbraw/zinc/40/41/66/1041404166.db2.gz XGGUEYQKCVGKIQ-NRFANRHFSA-N 1 3 399.579 3.984 20 0 GHADHO COc1cccc(OC)c1CN1CCC(n2ccc3ccc(C[NH3+])cc32)CC1 ZINC001255921105 1041408058 /nfs/dbraw/zinc/40/80/58/1041408058.db2.gz DOMKSOOQNWTDBS-UHFFFAOYSA-N 1 3 379.504 3.954 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001255940525 1041428642 /nfs/dbraw/zinc/42/86/42/1041428642.db2.gz CXIBBNQIDWLKNN-MOPGFXCFSA-N 1 3 397.604 3.645 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001255940525 1041428649 /nfs/dbraw/zinc/42/86/49/1041428649.db2.gz CXIBBNQIDWLKNN-MOPGFXCFSA-N 1 3 397.604 3.645 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@H+](CCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255964055 1041445109 /nfs/dbraw/zinc/44/51/09/1041445109.db2.gz NNSFHKGWPJWIII-LJQANCHMSA-N 1 3 399.620 3.845 20 0 GHADHO CCN(CC)CC[C@@H](C)[N@@H+](CCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255964055 1041445118 /nfs/dbraw/zinc/44/51/18/1041445118.db2.gz NNSFHKGWPJWIII-LJQANCHMSA-N 1 3 399.620 3.845 20 0 GHADHO Fc1c(CN2CCCCC2)cccc1-c1ccc(OCC[NH+]2CCCC2)nn1 ZINC001236005389 1041496950 /nfs/dbraw/zinc/49/69/50/1041496950.db2.gz PYZNDZSLZHEFCM-UHFFFAOYSA-N 1 3 384.499 3.743 20 0 GHADHO Cc1cnc(N2CCC(C[NH3+])CC2)nc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236230567 1041633429 /nfs/dbraw/zinc/63/34/29/1041633429.db2.gz CDEMQFVDGCTAHM-UHFFFAOYSA-N 1 3 397.542 3.752 20 0 GHADHO Fc1cc(-c2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)ccc1CN1CCCCC1 ZINC001236247995 1041642594 /nfs/dbraw/zinc/64/25/94/1041642594.db2.gz BOQJVYFTVBBXOG-FQEVSTJZSA-N 1 3 379.483 3.946 20 0 GHADHO Fc1ccc(CN(Cc2cc(Br)ccn2)CC2CC[NH2+]CC2)cc1 ZINC001236384199 1041692524 /nfs/dbraw/zinc/69/25/24/1041692524.db2.gz ZSMXWMGTEOLSEZ-UHFFFAOYSA-N 1 3 392.316 3.985 20 0 GHADHO C[C@H](Cc1ccccn1)[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001256413801 1041723935 /nfs/dbraw/zinc/72/39/35/1041723935.db2.gz BSQJJQWMFMQAOF-NFBKMPQASA-N 1 3 379.548 3.768 20 0 GHADHO Cc1cc(F)ccc1C[N@H+](CC1CCC2(CC1)OCCO2)C1CCNCC1 ZINC001236515990 1041749966 /nfs/dbraw/zinc/74/99/66/1041749966.db2.gz FFKUYFMPJSBDAE-UHFFFAOYSA-N 1 3 376.516 3.621 20 0 GHADHO Cc1cc(F)ccc1C[N@@H+](CC1CCC2(CC1)OCCO2)C1CCNCC1 ZINC001236515990 1041749972 /nfs/dbraw/zinc/74/99/72/1041749972.db2.gz FFKUYFMPJSBDAE-UHFFFAOYSA-N 1 3 376.516 3.621 20 0 GHADHO Cc1ccccc1CN(Cc1cnc2ccc(Cl)nn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236557382 1041761172 /nfs/dbraw/zinc/76/11/72/1041761172.db2.gz MANFKCAKXKXYRC-IYARVYRRSA-N 1 3 383.927 3.963 20 0 GHADHO [NH3+][C@H]1CC[C@H](N(Cc2cc3c(cc2Br)OCO3)C2CCC2)CC1 ZINC001236572515 1041766494 /nfs/dbraw/zinc/76/64/94/1041766494.db2.gz QXJZRFLCJOHEFY-CTYIDZIISA-N 1 3 381.314 3.802 20 0 GHADHO CC(C)Oc1c(Cl)cc(CN2CCC([N@@H+]3CC[C@H](N)C3)CC2)cc1Cl ZINC001236622555 1041788466 /nfs/dbraw/zinc/78/84/66/1041788466.db2.gz PQRKJNVXDFQPGZ-HNNXBMFYSA-N 1 3 386.367 3.778 20 0 GHADHO CC(C)Oc1c(Cl)cc(CN2CCC([N@H+]3CC[C@H](N)C3)CC2)cc1Cl ZINC001236622555 1041788474 /nfs/dbraw/zinc/78/84/74/1041788474.db2.gz PQRKJNVXDFQPGZ-HNNXBMFYSA-N 1 3 386.367 3.778 20 0 GHADHO CC(C)c1ccc(CN2CCC([N@@H+]3CC[C@H](N)C3)CC2)c(Br)c1 ZINC001236624097 1041789937 /nfs/dbraw/zinc/78/99/37/1041789937.db2.gz YUBPNEKGTFINFS-KRWDZBQOSA-N 1 3 380.374 3.570 20 0 GHADHO CC(C)c1ccc(CN2CCC([N@H+]3CC[C@H](N)C3)CC2)c(Br)c1 ZINC001236624097 1041789943 /nfs/dbraw/zinc/78/99/43/1041789943.db2.gz YUBPNEKGTFINFS-KRWDZBQOSA-N 1 3 380.374 3.570 20 0 GHADHO c1ccc(C(c2ccccc2)N2CC3(C2)CCN(C[C@H]2CCCC[NH2+]2)C3)cc1 ZINC001236850090 1041927581 /nfs/dbraw/zinc/92/75/81/1041927581.db2.gz YTFRKKMLSTYSIS-HSZRJFAPSA-N 1 3 375.560 3.926 20 0 GHADHO c1ncn(-c2cccc(C[N@H+]3CCC[C@@]4(CCN(Cc5ccccc5)C4)C3)c2)n1 ZINC001236891225 1041942105 /nfs/dbraw/zinc/94/21/05/1041942105.db2.gz YPWRQKFHSCWHDM-XMMPIXPASA-N 1 3 387.531 3.755 20 0 GHADHO c1ncn(-c2cccc(C[N@@H+]3CCC[C@@]4(CCN(Cc5ccccc5)C4)C3)c2)n1 ZINC001236891225 1041942106 /nfs/dbraw/zinc/94/21/06/1041942106.db2.gz YPWRQKFHSCWHDM-XMMPIXPASA-N 1 3 387.531 3.755 20 0 GHADHO Brc1ccc2c(c1)n[nH]c2CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236961952 1041970789 /nfs/dbraw/zinc/97/07/89/1041970789.db2.gz QJJNQLRTEBGASI-UHFFFAOYSA-N 1 3 391.357 3.927 20 0 GHADHO Clc1[nH]c2cnccc2c1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001237450149 1042211882 /nfs/dbraw/zinc/21/18/82/1042211882.db2.gz RQSCNXQCHPQWIR-UHFFFAOYSA-N 1 3 376.932 3.541 20 0 GHADHO COc1cc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cc(OC)n1 ZINC001237555209 1042262108 /nfs/dbraw/zinc/26/21/08/1042262108.db2.gz KOFIPADFGUCUSM-IBGZPJMESA-N 1 3 385.508 3.568 20 0 GHADHO COc1cc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cc(OC)n1 ZINC001237555209 1042262112 /nfs/dbraw/zinc/26/21/12/1042262112.db2.gz KOFIPADFGUCUSM-IBGZPJMESA-N 1 3 385.508 3.568 20 0 GHADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001462633276 1070429921 /nfs/dbraw/zinc/42/99/21/1070429921.db2.gz GUNAJIYXHMBWBS-WWPVKYPJSA-N 1 3 380.532 3.804 20 0 GHADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001462633276 1070429925 /nfs/dbraw/zinc/42/99/25/1070429925.db2.gz GUNAJIYXHMBWBS-WWPVKYPJSA-N 1 3 380.532 3.804 20 0 GHADHO COc1ccc(-c2cccc(CN3CCN(C)CC3)c2)cc1C[NH+]1CCCC1 ZINC001240306014 1042920330 /nfs/dbraw/zinc/92/03/30/1042920330.db2.gz SIBCUEUVJKZCLX-UHFFFAOYSA-N 1 3 379.548 3.705 20 0 GHADHO CC[N@H+]1CC=C(c2cnc(-c3ccc(CN4CCN(C)CC4)cc3)c(C)c2)CC1 ZINC001240396393 1042926137 /nfs/dbraw/zinc/92/61/37/1042926137.db2.gz UFPPLBYUSNRXJJ-UHFFFAOYSA-N 1 3 390.575 3.913 20 0 GHADHO CC[N@@H+]1CC=C(c2cnc(-c3ccc(CN4CCN(C)CC4)cc3)c(C)c2)CC1 ZINC001240396393 1042926139 /nfs/dbraw/zinc/92/61/39/1042926139.db2.gz UFPPLBYUSNRXJJ-UHFFFAOYSA-N 1 3 390.575 3.913 20 0 GHADHO CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCC[N@H+](C)C(C)C ZINC001291620230 1043360003 /nfs/dbraw/zinc/36/00/03/1043360003.db2.gz HPIFQNNPNZNWAS-LJQANCHMSA-N 1 3 390.620 3.587 20 0 GHADHO CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001291620230 1043360016 /nfs/dbraw/zinc/36/00/16/1043360016.db2.gz HPIFQNNPNZNWAS-LJQANCHMSA-N 1 3 390.620 3.587 20 0 GHADHO COC(=O)CCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256529729 1043461409 /nfs/dbraw/zinc/46/14/09/1043461409.db2.gz WLOMDIXUXATYDJ-WMZHIEFXSA-N 1 3 380.532 3.935 20 0 GHADHO COC(=O)CCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256529729 1043461418 /nfs/dbraw/zinc/46/14/18/1043461418.db2.gz WLOMDIXUXATYDJ-WMZHIEFXSA-N 1 3 380.532 3.935 20 0 GHADHO Fc1cccc([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CCOCC2)c1 ZINC001256686971 1043622431 /nfs/dbraw/zinc/62/24/31/1043622431.db2.gz YBXOIPXFQRLFSR-HRTMPFAESA-N 1 3 376.516 3.526 20 0 GHADHO Brc1cccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)c1 ZINC001256686391 1043622576 /nfs/dbraw/zinc/62/25/76/1043622576.db2.gz OYHVTMDMXMSSMA-UHFFFAOYSA-N 1 3 379.342 3.671 20 0 GHADHO CNC(=O)N[C@@H]1CC2(CCN(C3CC[NH+](C(C)C)CC3)CC2)c2cc(C)ccc21 ZINC001257220455 1043941393 /nfs/dbraw/zinc/94/13/93/1043941393.db2.gz PXDBGQVJTLNWTB-JOCHJYFZSA-N 1 3 398.595 3.575 20 0 GHADHO COc1ccc2cc(CC[C@H](C)[NH2+]CCN3CCN(C(C)C)CC3)ccc2c1 ZINC001257276752 1043953399 /nfs/dbraw/zinc/95/33/99/1043953399.db2.gz YXSITZHFJOMKON-FQEVSTJZSA-N 1 3 383.580 3.785 20 0 GHADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001293372021 1044140441 /nfs/dbraw/zinc/14/04/41/1044140441.db2.gz NTXHYEIWNAQECZ-FQEVSTJZSA-N 1 3 393.641 3.651 20 0 GHADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001293372021 1044140450 /nfs/dbraw/zinc/14/04/50/1044140450.db2.gz NTXHYEIWNAQECZ-FQEVSTJZSA-N 1 3 393.641 3.651 20 0 GHADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCCCN1C1CCCC1 ZINC001293372021 1044140459 /nfs/dbraw/zinc/14/04/59/1044140459.db2.gz NTXHYEIWNAQECZ-FQEVSTJZSA-N 1 3 393.641 3.651 20 0 GHADHO C[C@@H]1CCCCN1CCC[NH2+]C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257838987 1044213624 /nfs/dbraw/zinc/21/36/24/1044213624.db2.gz SOKUKIQYRYTMIP-WRURNZQNSA-N 1 3 379.589 3.876 20 0 GHADHO CC[C@H]1N(C2CC[NH+](CC(C)C)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001258011688 1044336797 /nfs/dbraw/zinc/33/67/97/1044336797.db2.gz KMQMBUUWBUFUKQ-GGAORHGYSA-N 1 3 375.601 3.752 20 0 GHADHO CC(C)C[NH+]1CCC(N2CCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001258013875 1044342547 /nfs/dbraw/zinc/34/25/47/1044342547.db2.gz YNXAAPUPQLEHAU-JOCHJYFZSA-N 1 3 379.589 3.972 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144151 1044431703 /nfs/dbraw/zinc/43/17/03/1044431703.db2.gz PPVNLHYEXCVDHL-BVSLBCMMSA-N 1 3 399.579 3.681 20 0 GHADHO O=C(C1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1)N1CCCCCC1 ZINC001258146076 1044434498 /nfs/dbraw/zinc/43/44/98/1044434498.db2.gz RFBWHRYSNFRJOI-UHFFFAOYSA-N 1 3 397.607 3.808 20 0 GHADHO CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001264746312 1047425478 /nfs/dbraw/zinc/42/54/78/1047425478.db2.gz NMFLMTMVYRPLEE-QFIPXVFZSA-N 1 3 375.532 3.866 20 0 GHADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CCCN(CCCC(F)(F)F)C3)C2)C1 ZINC001279501771 1047826486 /nfs/dbraw/zinc/82/64/86/1047826486.db2.gz JKQCSJSALKWNLA-RTBURBONSA-N 1 3 375.523 3.849 20 0 GHADHO CN1CCC[C@@H](C[N@H+]2CCC[C@@]3(CCCN(CCCC(F)(F)F)C3)C2)C1 ZINC001279501771 1047826496 /nfs/dbraw/zinc/82/64/96/1047826496.db2.gz JKQCSJSALKWNLA-RTBURBONSA-N 1 3 375.523 3.849 20 0 GHADHO CC[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001305517453 1048102812 /nfs/dbraw/zinc/10/28/12/1048102812.db2.gz GIJOACKQUWZBCL-SFHVURJKSA-N 1 3 390.620 3.587 20 0 GHADHO CN1CCC([NH+]2CCC(NCc3cnc(-c4ccsc4)s3)CC2)CC1 ZINC001308235011 1049921447 /nfs/dbraw/zinc/92/14/47/1049921447.db2.gz DARILMKONREALN-UHFFFAOYSA-N 1 3 376.595 3.520 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(CCc3ccc(F)cc3F)C2)ccn1 ZINC001328858488 1050660277 /nfs/dbraw/zinc/66/02/77/1050660277.db2.gz IDSKMIJRHOEGRX-OAQYLSRUSA-N 1 3 389.490 3.896 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(CCc3ccc(F)cc3F)C2)ccn1 ZINC001328858488 1050660282 /nfs/dbraw/zinc/66/02/82/1050660282.db2.gz IDSKMIJRHOEGRX-OAQYLSRUSA-N 1 3 389.490 3.896 20 0 GHADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(CCc3ccc(F)cc3F)C2)ccn1 ZINC001328858487 1050660932 /nfs/dbraw/zinc/66/09/32/1050660932.db2.gz IDSKMIJRHOEGRX-NRFANRHFSA-N 1 3 389.490 3.896 20 0 GHADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(CCc3ccc(F)cc3F)C2)ccn1 ZINC001328858487 1050660940 /nfs/dbraw/zinc/66/09/40/1050660940.db2.gz IDSKMIJRHOEGRX-NRFANRHFSA-N 1 3 389.490 3.896 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC001311487218 1052194779 /nfs/dbraw/zinc/19/47/79/1052194779.db2.gz OVSZXQHOVQJEFZ-VAMGGRTRSA-N 1 3 392.975 3.649 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC001311487218 1052194786 /nfs/dbraw/zinc/19/47/86/1052194786.db2.gz OVSZXQHOVQJEFZ-VAMGGRTRSA-N 1 3 392.975 3.649 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC001311492665 1052199504 /nfs/dbraw/zinc/19/95/04/1052199504.db2.gz DDMNMCWIYSFSFX-VQTJNVASSA-N 1 3 398.595 3.687 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC001311492665 1052199513 /nfs/dbraw/zinc/19/95/13/1052199513.db2.gz DDMNMCWIYSFSFX-VQTJNVASSA-N 1 3 398.595 3.687 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001311641616 1052294512 /nfs/dbraw/zinc/29/45/12/1052294512.db2.gz XLQIRGXKOLLPRH-DENIHFKCSA-N 1 3 388.600 3.661 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001311748201 1052371550 /nfs/dbraw/zinc/37/15/50/1052371550.db2.gz ZQFBHRBTAHZHIS-UPVQGACJSA-N 1 3 394.563 3.562 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC001311748201 1052371553 /nfs/dbraw/zinc/37/15/53/1052371553.db2.gz ZQFBHRBTAHZHIS-UPVQGACJSA-N 1 3 394.563 3.562 20 0 GHADHO CC(C)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1Cl ZINC001311978955 1052511271 /nfs/dbraw/zinc/51/12/71/1052511271.db2.gz ZOHKPSVMWPIBFR-LPHOPBHVSA-N 1 3 382.980 3.608 20 0 GHADHO CC(C)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1Cl ZINC001311978955 1052511277 /nfs/dbraw/zinc/51/12/77/1052511277.db2.gz ZOHKPSVMWPIBFR-LPHOPBHVSA-N 1 3 382.980 3.608 20 0 GHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001312659625 1052828826 /nfs/dbraw/zinc/82/88/26/1052828826.db2.gz KOWPNNVXEYUHEB-CTNGQTDRSA-N 1 3 388.600 3.750 20 0 GHADHO CCN1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313872572 1053264340 /nfs/dbraw/zinc/26/43/40/1053264340.db2.gz WZTDDPXBRUHCHW-CEXWTWQISA-N 1 3 392.636 3.516 20 0 GHADHO O=C(c1cc2c(s1)CNCC2)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001342990838 1053483520 /nfs/dbraw/zinc/48/35/20/1053483520.db2.gz XUIDELNWRQZKOH-UHFFFAOYSA-N 1 3 395.572 3.621 20 0 GHADHO COC(=O)/C=C/c1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000848888707 1057397507 /nfs/dbraw/zinc/39/75/07/1057397507.db2.gz AOLDWCRYZQGUGN-MDZDMXLPSA-N 1 3 394.515 3.954 20 0 GHADHO COC(=O)/C=C/c1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000848888707 1057397511 /nfs/dbraw/zinc/39/75/11/1057397511.db2.gz AOLDWCRYZQGUGN-MDZDMXLPSA-N 1 3 394.515 3.954 20 0 GHADHO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCCCC1 ZINC001347725968 1062599665 /nfs/dbraw/zinc/59/96/65/1062599665.db2.gz WPFYPLSUEQHJQQ-ZSJMHYJMSA-N 1 3 383.580 3.953 20 0 GHADHO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCCCC1 ZINC001347725968 1062599681 /nfs/dbraw/zinc/59/96/81/1062599681.db2.gz WPFYPLSUEQHJQQ-ZSJMHYJMSA-N 1 3 383.580 3.953 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001457531017 1063227709 /nfs/dbraw/zinc/22/77/09/1063227709.db2.gz LEBUDWDSRUKSRV-QHCPKHFHSA-N 1 3 395.547 3.647 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccsc1 ZINC001457556931 1063243691 /nfs/dbraw/zinc/24/36/91/1063243691.db2.gz MLOWIEZBXWVJJD-HBMCJLEFSA-N 1 3 385.577 3.940 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccsc1 ZINC001457556931 1063243710 /nfs/dbraw/zinc/24/37/10/1063243710.db2.gz MLOWIEZBXWVJJD-HBMCJLEFSA-N 1 3 385.577 3.940 20 0 GHADHO CN1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1(C)C ZINC001200314882 1065901909 /nfs/dbraw/zinc/90/19/09/1065901909.db2.gz ROMVTIIBKGQJLN-PMACEKPBSA-N 1 3 394.003 3.954 20 0 GHADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001477615111 1078492568 /nfs/dbraw/zinc/49/25/68/1078492568.db2.gz KRFYWGVIWVCNBL-UNMCSNQZSA-N 1 3 386.584 3.729 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC001477673320 1078519424 /nfs/dbraw/zinc/51/94/24/1078519424.db2.gz DKAUJESZSGKXDZ-GGAORHGYSA-N 1 3 398.595 3.553 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC001477673320 1078519428 /nfs/dbraw/zinc/51/94/28/1078519428.db2.gz DKAUJESZSGKXDZ-GGAORHGYSA-N 1 3 398.595 3.553 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001468173024 1067619920 /nfs/dbraw/zinc/61/99/20/1067619920.db2.gz APZAVLHBARMIPP-XZYOPWHXSA-N 1 3 386.584 3.632 20 0 GHADHO CCO[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000849109010 1067732170 /nfs/dbraw/zinc/73/21/70/1067732170.db2.gz LZIKKPKMXRHPAC-JOCHJYFZSA-N 1 3 380.536 3.543 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1CCC(c2ccccc2)CC1 ZINC001468722304 1067848505 /nfs/dbraw/zinc/84/85/05/1067848505.db2.gz VOHPXXIAMLSHMZ-YMISUZCDSA-N 1 3 388.600 3.532 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1CCC(c2ccccc2)CC1 ZINC001468722304 1067848511 /nfs/dbraw/zinc/84/85/11/1067848511.db2.gz VOHPXXIAMLSHMZ-YMISUZCDSA-N 1 3 388.600 3.532 20 0 GHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001468759352 1067864581 /nfs/dbraw/zinc/86/45/81/1067864581.db2.gz DMTHYNJFFCGMJR-LJQANCHMSA-N 1 3 380.621 3.650 20 0 GHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001468759352 1067864585 /nfs/dbraw/zinc/86/45/85/1067864585.db2.gz DMTHYNJFFCGMJR-LJQANCHMSA-N 1 3 380.621 3.650 20 0 GHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001477927047 1078631834 /nfs/dbraw/zinc/63/18/34/1078631834.db2.gz KJUPDIVNFPAKOO-FCHUYYIVSA-N 1 3 386.584 3.777 20 0 GHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001477927047 1078631836 /nfs/dbraw/zinc/63/18/36/1078631836.db2.gz KJUPDIVNFPAKOO-FCHUYYIVSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001469315130 1068095663 /nfs/dbraw/zinc/09/56/63/1068095663.db2.gz AENKFCVHPFWBET-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001469315130 1068095677 /nfs/dbraw/zinc/09/56/77/1068095677.db2.gz AENKFCVHPFWBET-NZQKXSOJSA-N 1 3 398.595 3.557 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NCC3(C[NH+](C)C)CCCC3)CC2)CC1 ZINC001478403019 1078853368 /nfs/dbraw/zinc/85/33/68/1078853368.db2.gz HKDLCAGSXLVBTK-UHFFFAOYSA-N 1 3 392.632 3.650 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145182 1073806932 /nfs/dbraw/zinc/80/69/32/1073806932.db2.gz DWIZLLRBRZDAFR-VWNXMTODSA-N 1 3 393.575 3.880 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@@H](CN1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145182 1073806938 /nfs/dbraw/zinc/80/69/38/1073806938.db2.gz DWIZLLRBRZDAFR-VWNXMTODSA-N 1 3 393.575 3.880 20 0 GHADHO OC[C@]1(N(Cc2ccccc2)Cc2ccc(C[NH+]3CCCCC3)cc2)CCOC1 ZINC001473467966 1073979924 /nfs/dbraw/zinc/97/99/24/1073979924.db2.gz KFZQNUFNRVQOBV-RUZDIDTESA-N 1 3 394.559 3.826 20 0 GHADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716955 1074104495 /nfs/dbraw/zinc/10/44/95/1074104495.db2.gz NSZFXVKYEPIXDQ-NHCUHLMSSA-N 1 3 377.617 3.858 20 0 GHADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716955 1074104499 /nfs/dbraw/zinc/10/44/99/1074104499.db2.gz NSZFXVKYEPIXDQ-NHCUHLMSSA-N 1 3 377.617 3.858 20 0 GHADHO CC(C)CN(CC(=O)Nc1cccc(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC001473739110 1074117452 /nfs/dbraw/zinc/11/74/52/1074117452.db2.gz HSOIUDFTJKENRM-UHFFFAOYSA-N 1 3 385.474 3.944 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CNC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC001473755730 1074125442 /nfs/dbraw/zinc/12/54/42/1074125442.db2.gz RIIYSEDEVFQQQI-UHFFFAOYSA-N 1 3 385.474 3.519 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@H+](C)C1(Cc2ccccc2)CCCC1)c1ccccc1 ZINC001473775685 1074136808 /nfs/dbraw/zinc/13/68/08/1074136808.db2.gz SPYITRYWBBYKPY-HSZRJFAPSA-N 1 3 393.575 3.893 20 0 GHADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)C1(Cc2ccccc2)CCCC1)c1ccccc1 ZINC001473775685 1074136811 /nfs/dbraw/zinc/13/68/11/1074136811.db2.gz SPYITRYWBBYKPY-HSZRJFAPSA-N 1 3 393.575 3.893 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C4CCOCC4)C3)cc2)CC1 ZINC001473935671 1074210561 /nfs/dbraw/zinc/21/05/61/1074210561.db2.gz BULDUVXFXZECCG-RPBOFIJWSA-N 1 3 399.623 3.899 20 0 GHADHO CC[C@H]1Oc2cc([C@H](C)NCc3ccc(OCC[NH+](C)C)cc3)ccc2NC1=O ZINC001474030966 1074242098 /nfs/dbraw/zinc/24/20/98/1074242098.db2.gz CXXWEYJMLKFMEJ-HRAATJIYSA-N 1 3 397.519 3.587 20 0 GHADHO CSc1cc(Br)ccc1C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001474067863 1074252607 /nfs/dbraw/zinc/25/26/07/1074252607.db2.gz HUHJHSPOGZQDEC-IRXDYDNUSA-N 1 3 399.398 3.638 20 0 GHADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC001550422447 1126206809 /nfs/dbraw/zinc/20/68/09/1126206809.db2.gz WHYAVQXYYWHMHH-JTJHWIPRSA-N 1 3 389.540 3.519 20 0 GHADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC001550422447 1126206811 /nfs/dbraw/zinc/20/68/11/1126206811.db2.gz WHYAVQXYYWHMHH-JTJHWIPRSA-N 1 3 389.540 3.519 20 0 GHADHO c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(CN5CCCC5)cn4)[C@@H]3C2)cc1 ZINC001164625869 719096469 /nfs/dbraw/zinc/09/64/69/719096469.db2.gz HEWXRASKIYNUGC-DHIUTWEWSA-N 1 3 376.548 3.778 20 0 GHADHO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(CN5CCCC5)cn4)[C@@H]3C2)cc1 ZINC001164625869 719096470 /nfs/dbraw/zinc/09/64/70/719096470.db2.gz HEWXRASKIYNUGC-DHIUTWEWSA-N 1 3 376.548 3.778 20 0 GHADHO Cc1cccc(N(c2ccc(CN3CCCC3)cn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777690 721329523 /nfs/dbraw/zinc/32/95/23/721329523.db2.gz PGHUAICSHDQEOU-LADGPHEKSA-N 1 3 392.547 3.645 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2ccc(S(C)(=O)=O)s2)C[N@@H+]1Cc1ccccc1 ZINC000414364813 837390436 /nfs/dbraw/zinc/39/04/36/837390436.db2.gz JQDPYYIFOWIHGL-FUHWJXTLSA-N 1 3 392.590 3.542 20 0 GHADHO C[C@H]1C[C@@H](CCNCc2ccc(S(C)(=O)=O)s2)C[N@H+]1Cc1ccccc1 ZINC000414364813 837390446 /nfs/dbraw/zinc/39/04/46/837390446.db2.gz JQDPYYIFOWIHGL-FUHWJXTLSA-N 1 3 392.590 3.542 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431795789 837570467 /nfs/dbraw/zinc/57/04/67/837570467.db2.gz QSCZBADENDAMAV-NFBKMPQASA-N 1 3 379.548 3.802 20 0 GHADHO CCO[C@H](CC[NH+](C)C)CNCc1cc2ccccc2nc1N1CCCCC1 ZINC000151000746 834444746 /nfs/dbraw/zinc/44/47/46/834444746.db2.gz ATEURRGEJWOCFZ-OAQYLSRUSA-N 1 3 384.568 3.672 20 0 GHADHO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000090879855 834622447 /nfs/dbraw/zinc/62/24/47/834622447.db2.gz UFWIXJJBNYOFOP-LJQANCHMSA-N 1 3 375.520 3.625 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3c(F)cccc3Cl)CC2)CC1 ZINC000654855528 834680156 /nfs/dbraw/zinc/68/01/56/834680156.db2.gz JLYPSOCYZRUVOF-HNNXBMFYSA-N 1 3 395.950 3.853 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3c(F)cccc3Cl)CC2)CC1 ZINC000654855529 834680288 /nfs/dbraw/zinc/68/02/88/834680288.db2.gz JLYPSOCYZRUVOF-OAHLLOKOSA-N 1 3 395.950 3.853 20 0 GHADHO CN(Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000510068764 834831387 /nfs/dbraw/zinc/83/13/87/834831387.db2.gz CQOSGJNDUCWMDF-IFMALSPDSA-N 1 3 392.609 3.897 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000519935481 834862218 /nfs/dbraw/zinc/86/22/18/834862218.db2.gz VVHCCAFUAXKAGV-ONTIZHBOSA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000519935481 834862229 /nfs/dbraw/zinc/86/22/29/834862229.db2.gz VVHCCAFUAXKAGV-ONTIZHBOSA-N 1 3 386.584 3.552 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4cccc(F)c4)CCC3)CC2)CC1 ZINC000655157763 835307992 /nfs/dbraw/zinc/30/79/92/835307992.db2.gz KKHLWBWLLJZFGW-UHFFFAOYSA-N 1 3 387.543 3.517 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969289 835320220 /nfs/dbraw/zinc/32/02/20/835320220.db2.gz LVWOBYZNAMTTLW-HNAYVOBHSA-N 1 3 375.463 3.827 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969289 835320227 /nfs/dbraw/zinc/32/02/27/835320227.db2.gz LVWOBYZNAMTTLW-HNAYVOBHSA-N 1 3 375.463 3.827 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc4ccsc43)CC2)CC1 ZINC000655162220 835324696 /nfs/dbraw/zinc/32/46/96/835324696.db2.gz KQONJKUBHFZGEI-UHFFFAOYSA-N 1 3 385.577 3.714 20 0 GHADHO CCc1noc(C2CCC([NH2+]CC3CCN(Cc4ccncc4)CC3)CC2)n1 ZINC000658165717 835481232 /nfs/dbraw/zinc/48/12/32/835481232.db2.gz KXAMFOHYRPDTJR-UHFFFAOYSA-N 1 3 383.540 3.555 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(c3ccccn3)CCC2)CC1 ZINC000512988740 844058186 /nfs/dbraw/zinc/05/81/86/844058186.db2.gz LLHHMSGSMBCHFU-UHFFFAOYSA-N 1 3 378.564 3.825 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+][C@@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657832425 835708280 /nfs/dbraw/zinc/70/82/80/835708280.db2.gz CTYJZOCFXFIAMF-QHCPKHFHSA-N 1 3 391.559 3.810 20 0 GHADHO Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)CC2)nc(C)n1 ZINC000274897764 835787104 /nfs/dbraw/zinc/78/71/04/835787104.db2.gz KQDGDKKMEYSGHU-KNQAVFIVSA-N 1 3 393.579 3.562 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657836831 835808607 /nfs/dbraw/zinc/80/86/07/835808607.db2.gz PCAPWDPMWCUQLL-ZIAGYGMSSA-N 1 3 388.781 3.779 20 0 GHADHO CC[NH+]1CCC(NC[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000581997883 844132335 /nfs/dbraw/zinc/13/23/35/844132335.db2.gz HIJDKZVZQSGHIA-ZEQRLZLVSA-N 1 3 382.548 3.536 20 0 GHADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000173645225 836234670 /nfs/dbraw/zinc/23/46/70/836234670.db2.gz ZANSIHVDDBMFSO-OAHLLOKOSA-N 1 3 382.346 3.584 20 0 GHADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000173645225 836234683 /nfs/dbraw/zinc/23/46/83/836234683.db2.gz ZANSIHVDDBMFSO-OAHLLOKOSA-N 1 3 382.346 3.584 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000180641328 836235580 /nfs/dbraw/zinc/23/55/80/836235580.db2.gz VETROZUYYWFJQB-QRWLVFNGSA-N 1 3 389.337 3.867 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000180641328 836235591 /nfs/dbraw/zinc/23/55/91/836235591.db2.gz VETROZUYYWFJQB-QRWLVFNGSA-N 1 3 389.337 3.867 20 0 GHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476563 837002167 /nfs/dbraw/zinc/00/21/67/837002167.db2.gz JIQWRXYBZXMXOF-SFTDATJTSA-N 1 3 391.559 3.819 20 0 GHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476563 837002177 /nfs/dbraw/zinc/00/21/77/837002177.db2.gz JIQWRXYBZXMXOF-SFTDATJTSA-N 1 3 391.559 3.819 20 0 GHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000414307199 837016821 /nfs/dbraw/zinc/01/68/21/837016821.db2.gz OWFGYLIQAZSZRA-IBGZPJMESA-N 1 3 382.552 3.676 20 0 GHADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCS2 ZINC000414309995 837034305 /nfs/dbraw/zinc/03/43/05/837034305.db2.gz SMTDCTVHTWVISE-OAQYLSRUSA-N 1 3 398.572 3.849 20 0 GHADHO C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(F)c(F)c1 ZINC000414334604 837181100 /nfs/dbraw/zinc/18/11/00/837181100.db2.gz XMUGFJPZVMCNKW-HNNXBMFYSA-N 1 3 387.474 3.513 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CCc3c2cc(F)cc3F)c1 ZINC000121261612 837193109 /nfs/dbraw/zinc/19/31/09/837193109.db2.gz WQLQCSOXCMHGLE-QFIPXVFZSA-N 1 3 390.474 3.699 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CCc3c2cc(F)cc3F)c1 ZINC000121261612 837193115 /nfs/dbraw/zinc/19/31/15/837193115.db2.gz WQLQCSOXCMHGLE-QFIPXVFZSA-N 1 3 390.474 3.699 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1)C(C)C ZINC000110121075 844255230 /nfs/dbraw/zinc/25/52/30/844255230.db2.gz BZJBKXZVXSJITC-HSZRJFAPSA-N 1 3 379.548 3.921 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1)C(C)C ZINC000110121075 844255236 /nfs/dbraw/zinc/25/52/36/844255236.db2.gz BZJBKXZVXSJITC-HSZRJFAPSA-N 1 3 379.548 3.921 20 0 GHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659031738 837314746 /nfs/dbraw/zinc/31/47/46/837314746.db2.gz OKFRXISRUOKJOS-QFIPXVFZSA-N 1 3 396.535 3.511 20 0 GHADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000659863074 837895724 /nfs/dbraw/zinc/89/57/24/837895724.db2.gz GDZSOFYNOPOVRM-LEWJYISDSA-N 1 3 377.617 3.715 20 0 GHADHO CC1CCN([C@H](CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)c2cccs2)CC1 ZINC000659262668 838025560 /nfs/dbraw/zinc/02/55/60/838025560.db2.gz KSYRNEOQUYKYDR-WOJBJXKFSA-N 1 3 383.561 3.872 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659323197 838287025 /nfs/dbraw/zinc/28/70/25/838287025.db2.gz DSJICPIAVJYCIJ-CVDCTZTESA-N 1 3 391.559 3.802 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275690985 838424608 /nfs/dbraw/zinc/42/46/08/838424608.db2.gz WYGSLIGUXHOHQP-FKVLARQCSA-N 1 3 382.552 3.766 20 0 GHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275690985 838424615 /nfs/dbraw/zinc/42/46/15/838424615.db2.gz WYGSLIGUXHOHQP-FKVLARQCSA-N 1 3 382.552 3.766 20 0 GHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000312141161 838918197 /nfs/dbraw/zinc/91/81/97/838918197.db2.gz FKJASUFWCUNMCW-WTGUMLROSA-N 1 3 379.589 3.875 20 0 GHADHO [NH3+]CCC[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000415044035 839111605 /nfs/dbraw/zinc/11/16/05/839111605.db2.gz ABRHYVAJZCNUEM-QGZVFWFLSA-N 1 3 391.309 3.790 20 0 GHADHO CCCCOc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OCC ZINC000415107710 839219720 /nfs/dbraw/zinc/21/97/20/839219720.db2.gz LJLGJKSXTTUMIG-REWPJTCUSA-N 1 3 390.568 3.983 20 0 GHADHO C[C@H](CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1cccc(Br)c1 ZINC000415114127 839224322 /nfs/dbraw/zinc/22/43/22/839224322.db2.gz VIENNTVWWWQFAZ-MDASCCDHSA-N 1 3 381.358 3.771 20 0 GHADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000622751916 839421998 /nfs/dbraw/zinc/42/19/98/839421998.db2.gz PIQZZIGGZQVTFB-FPOVZHCZSA-N 1 3 387.543 3.561 20 0 GHADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000622751916 839422006 /nfs/dbraw/zinc/42/20/06/839422006.db2.gz PIQZZIGGZQVTFB-FPOVZHCZSA-N 1 3 387.543 3.561 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@](C)(c4ccc(C)cc4)C3)CC2)CC1 ZINC000580447220 839573225 /nfs/dbraw/zinc/57/32/25/839573225.db2.gz BQOKEQJJOZMMOM-VWLOTQADSA-N 1 3 397.607 3.681 20 0 GHADHO Cc1nn(-c2ccc(C)cc2)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000656253891 839830838 /nfs/dbraw/zinc/83/08/38/839830838.db2.gz ZXRLYLDFBVPWGT-UHFFFAOYSA-N 1 3 382.552 3.566 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893013918 839914236 /nfs/dbraw/zinc/91/42/36/839914236.db2.gz OFAOLDZWWANVTE-QFIPXVFZSA-N 1 3 384.568 3.530 20 0 GHADHO CCc1cccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000580641264 839946623 /nfs/dbraw/zinc/94/66/23/839946623.db2.gz MQGDIKDSZDUUDU-NNMXDRDESA-N 1 3 388.577 3.723 20 0 GHADHO CCc1cccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000580641264 839946629 /nfs/dbraw/zinc/94/66/29/839946629.db2.gz MQGDIKDSZDUUDU-NNMXDRDESA-N 1 3 388.577 3.723 20 0 GHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000500410059 840404084 /nfs/dbraw/zinc/40/40/84/840404084.db2.gz OHJBYONTADUAEU-REWPJTCUSA-N 1 3 399.579 3.603 20 0 GHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000500410059 840404094 /nfs/dbraw/zinc/40/40/94/840404094.db2.gz OHJBYONTADUAEU-REWPJTCUSA-N 1 3 399.579 3.603 20 0 GHADHO c1ccc(C[N@H+]2CC[C@H]3CN(CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000580920890 840434395 /nfs/dbraw/zinc/43/43/95/840434395.db2.gz RISKWBISRZPTRH-VXKWHMMOSA-N 1 3 388.515 3.733 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@H]3CN(CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000580920890 840434399 /nfs/dbraw/zinc/43/43/99/840434399.db2.gz RISKWBISRZPTRH-VXKWHMMOSA-N 1 3 388.515 3.733 20 0 GHADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581208224 840851179 /nfs/dbraw/zinc/85/11/79/840851179.db2.gz KFFFKALONPOIBW-IEBWSBKVSA-N 1 3 385.939 3.713 20 0 GHADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000581208224 840851193 /nfs/dbraw/zinc/85/11/93/840851193.db2.gz KFFFKALONPOIBW-IEBWSBKVSA-N 1 3 385.939 3.713 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4ccc(O)cc43)CC2)CC1 ZINC000584849210 841067828 /nfs/dbraw/zinc/06/78/28/841067828.db2.gz GDCZUBZBZLKTER-UHFFFAOYSA-N 1 3 381.520 3.680 20 0 GHADHO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cccc2c1CC[NH2+]C2 ZINC000662723330 841487524 /nfs/dbraw/zinc/48/75/24/841487524.db2.gz WZDASMHQWAFWNY-UHFFFAOYSA-N 1 3 397.950 3.628 20 0 GHADHO c1ncn(Cc2ccc(CN[C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)cc2)n1 ZINC000647170331 841878240 /nfs/dbraw/zinc/87/82/40/841878240.db2.gz WCFOVLQEHXUTKF-QHCPKHFHSA-N 1 3 387.531 3.613 20 0 GHADHO c1ncn(Cc2ccc(CN[C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)cc2)n1 ZINC000647170331 841878252 /nfs/dbraw/zinc/87/82/52/841878252.db2.gz WCFOVLQEHXUTKF-QHCPKHFHSA-N 1 3 387.531 3.613 20 0 GHADHO COc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1OCc1cccnc1 ZINC000656785287 841922442 /nfs/dbraw/zinc/92/24/42/841922442.db2.gz GNNHANAFOBYGOF-JOCHJYFZSA-N 1 3 395.547 3.881 20 0 GHADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131222506 861268273 /nfs/dbraw/zinc/26/82/73/861268273.db2.gz NTTYJPHQIOLDAI-UNMCSNQZSA-N 1 3 387.543 3.515 20 0 GHADHO C[NH+](C)CC[C@H](c1ccc(NCCN2CCSCC2)cc1)c1ccccn1 ZINC001167836664 842328974 /nfs/dbraw/zinc/32/89/74/842328974.db2.gz BFELQEFNVRETBF-OAQYLSRUSA-N 1 3 384.593 3.626 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000063464493 842484723 /nfs/dbraw/zinc/48/47/23/842484723.db2.gz PGEWNRPTZSTHOQ-GMAHTHKFSA-N 1 3 394.563 3.501 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000063464493 842484728 /nfs/dbraw/zinc/48/47/28/842484728.db2.gz PGEWNRPTZSTHOQ-GMAHTHKFSA-N 1 3 394.563 3.501 20 0 GHADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246826701 842648445 /nfs/dbraw/zinc/64/84/45/842648445.db2.gz BKCTVKKASHSEDS-HUUCEWRRSA-N 1 3 387.446 3.624 20 0 GHADHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246826701 842648449 /nfs/dbraw/zinc/64/84/49/842648449.db2.gz BKCTVKKASHSEDS-HUUCEWRRSA-N 1 3 387.446 3.624 20 0 GHADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246826701 842648454 /nfs/dbraw/zinc/64/84/54/842648454.db2.gz BKCTVKKASHSEDS-HUUCEWRRSA-N 1 3 387.446 3.624 20 0 GHADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000178340378 861355548 /nfs/dbraw/zinc/35/55/48/861355548.db2.gz JCDQHBFVMNNBFA-QGZVFWFLSA-N 1 3 395.613 3.631 20 0 GHADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc21 ZINC000662347167 843154295 /nfs/dbraw/zinc/15/42/95/843154295.db2.gz CVCCOTOIPNAWNY-GMAHTHKFSA-N 1 3 377.532 3.632 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3ccc(Br)cc32)C[C@H](C)O1 ZINC000510674715 843171306 /nfs/dbraw/zinc/17/13/06/843171306.db2.gz JPXJSLRPQVPYHR-KHYOSLBOSA-N 1 3 381.358 3.915 20 0 GHADHO O=C(CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)NCC1CCCCC1 ZINC000512247203 843209978 /nfs/dbraw/zinc/20/99/78/843209978.db2.gz YXMUXWZUDOHTJW-DEOSSOPVSA-N 1 3 383.580 3.671 20 0 GHADHO O=C(CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NCC1CCCCC1 ZINC000512247203 843209990 /nfs/dbraw/zinc/20/99/90/843209990.db2.gz YXMUXWZUDOHTJW-DEOSSOPVSA-N 1 3 383.580 3.671 20 0 GHADHO CCc1ccc([C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)N(C)C)cc1 ZINC000548408213 843254847 /nfs/dbraw/zinc/25/48/47/843254847.db2.gz GFJWSAHJFPBFHC-QHCPKHFHSA-N 1 3 379.548 3.878 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000165312286 843362302 /nfs/dbraw/zinc/36/23/02/843362302.db2.gz LTDKXZOINONAHN-CTNGQTDRSA-N 1 3 393.531 3.858 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1(C)C ZINC000549611738 843587271 /nfs/dbraw/zinc/58/72/71/843587271.db2.gz XNCOYECABXPHOG-IBGZPJMESA-N 1 3 394.401 3.832 20 0 GHADHO CCCN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418770410 843618293 /nfs/dbraw/zinc/61/82/93/843618293.db2.gz OICNXBPCVNCBBK-YADHBBJMSA-N 1 3 386.584 3.605 20 0 GHADHO CSCC[C@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000237321958 843929878 /nfs/dbraw/zinc/92/98/78/843929878.db2.gz RDVSYLDELQCEBH-QFIPXVFZSA-N 1 3 397.588 3.646 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C[C@H](C)O1 ZINC000067121182 844785298 /nfs/dbraw/zinc/78/52/98/844785298.db2.gz YWOYCONJSFBKGO-OKILXGFUSA-N 1 3 376.875 3.920 20 0 GHADHO c1ncn(-c2cccc(CN[C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)n1 ZINC000512626308 844805160 /nfs/dbraw/zinc/80/51/60/844805160.db2.gz TUSCCMDOZCYPKP-QPTUXGOLSA-N 1 3 387.531 3.658 20 0 GHADHO c1ncn(-c2cccc(CN[C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)n1 ZINC000512626308 844805167 /nfs/dbraw/zinc/80/51/67/844805167.db2.gz TUSCCMDOZCYPKP-QPTUXGOLSA-N 1 3 387.531 3.658 20 0 GHADHO Cc1noc(C[C@@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c2ccccc2)n1 ZINC000277151895 844870898 /nfs/dbraw/zinc/87/08/98/844870898.db2.gz QHTRALLADXZZHJ-VGOFRKELSA-N 1 3 394.519 3.953 20 0 GHADHO [NH3+]Cc1ccc(CN[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)cc1 ZINC000647803334 845260989 /nfs/dbraw/zinc/26/09/89/845260989.db2.gz VHAVUDAHZHYJAK-OALUTQOASA-N 1 3 375.310 3.918 20 0 GHADHO CC(C)C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000509931406 845599045 /nfs/dbraw/zinc/59/90/45/845599045.db2.gz RPRBBINUNYVVOD-AZUAARDMSA-N 1 3 399.501 3.534 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3c(C4CCC4)cnn3C)CC2)c1 ZINC000657300288 845849043 /nfs/dbraw/zinc/84/90/43/845849043.db2.gz DESBKMFLCCQNLH-UHFFFAOYSA-N 1 3 395.595 3.688 20 0 GHADHO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000582092037 846292686 /nfs/dbraw/zinc/29/26/86/846292686.db2.gz XCTPMYPXIZGTAU-RUZDIDTESA-N 1 3 395.591 3.985 20 0 GHADHO c1ccc(CCN2CC[C@@H](C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)C2)cc1 ZINC000657354142 846472997 /nfs/dbraw/zinc/47/29/97/846472997.db2.gz QSOZGJPCCATUKL-UPVQGACJSA-N 1 3 380.532 3.509 20 0 GHADHO OC1(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1 ZINC000414552009 846579326 /nfs/dbraw/zinc/57/93/26/846579326.db2.gz QOLQPYFULUZZAB-UHFFFAOYSA-N 1 3 396.428 3.961 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054012 846604478 /nfs/dbraw/zinc/60/44/78/846604478.db2.gz PJYPQPQSFHTAMK-INIZCTEOSA-N 1 3 386.927 3.910 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(O[C@@H]3CCOC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000657389190 846819417 /nfs/dbraw/zinc/81/94/17/846819417.db2.gz SVJZJKLKMQPQLM-ZFJSRUIDSA-N 1 3 380.532 3.997 20 0 GHADHO C[C@@H]1C[C@H](NCc2ccc(O[C@@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000657389190 846819420 /nfs/dbraw/zinc/81/94/20/846819420.db2.gz SVJZJKLKMQPQLM-ZFJSRUIDSA-N 1 3 380.532 3.997 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)cc2)CC1 ZINC000501416887 846902247 /nfs/dbraw/zinc/90/22/47/846902247.db2.gz FYGWRCSHZIFOQC-ISKFKSNPSA-N 1 3 378.564 3.645 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)N(C)C)cc1 ZINC000604083534 861737401 /nfs/dbraw/zinc/73/74/01/861737401.db2.gz OUJCXFCZONGAKQ-DHIUTWEWSA-N 1 3 394.563 3.562 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)N(C)C)cc1 ZINC000604083534 861737408 /nfs/dbraw/zinc/73/74/08/861737408.db2.gz OUJCXFCZONGAKQ-DHIUTWEWSA-N 1 3 394.563 3.562 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000582368849 846969573 /nfs/dbraw/zinc/96/95/73/846969573.db2.gz SRSSWEPWPPCAFT-SFTDATJTSA-N 1 3 377.617 3.904 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336501 847116679 /nfs/dbraw/zinc/11/66/79/847116679.db2.gz ISFOQHLADLKTQV-IXFSTUDKSA-N 1 3 379.548 3.870 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000272933315 847211425 /nfs/dbraw/zinc/21/14/25/847211425.db2.gz ZWSKQTYZEOEOGS-PGRDOPGGSA-N 1 3 379.504 3.643 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000272933315 847211434 /nfs/dbraw/zinc/21/14/34/847211434.db2.gz ZWSKQTYZEOEOGS-PGRDOPGGSA-N 1 3 379.504 3.643 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccco1 ZINC000501840630 847273095 /nfs/dbraw/zinc/27/30/95/847273095.db2.gz LIOQGCXWMRWQHU-JRBPQWBISA-N 1 3 390.572 3.661 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000501840630 847273104 /nfs/dbraw/zinc/27/31/04/847273104.db2.gz LIOQGCXWMRWQHU-JRBPQWBISA-N 1 3 390.572 3.661 20 0 GHADHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984918 847591555 /nfs/dbraw/zinc/59/15/55/847591555.db2.gz VIRWCBHBEYTZLM-LJQANCHMSA-N 1 3 382.552 3.895 20 0 GHADHO CCN1CCC([N@H+]2CCCN([C@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984918 847591563 /nfs/dbraw/zinc/59/15/63/847591563.db2.gz VIRWCBHBEYTZLM-LJQANCHMSA-N 1 3 382.552 3.895 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422734771 847789110 /nfs/dbraw/zinc/78/91/10/847789110.db2.gz TZGTWMZCCSKKFY-KXBFYZLASA-N 1 3 392.469 3.793 20 0 GHADHO COc1cc(C)c([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422869184 847859634 /nfs/dbraw/zinc/85/96/34/847859634.db2.gz WWEMHXYLGCROJH-NVVBAYIOSA-N 1 3 382.504 3.919 20 0 GHADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422899624 847878620 /nfs/dbraw/zinc/87/86/20/847878620.db2.gz HXILHECNICELJH-YQFWSFKMSA-N 1 3 387.351 3.634 20 0 GHADHO FC(F)(F)c1cccc(OCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422950708 847912427 /nfs/dbraw/zinc/91/24/27/847912427.db2.gz WOHVUOOKYLJHEJ-AZUAARDMSA-N 1 3 392.421 3.930 20 0 GHADHO Clc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423073204 847964474 /nfs/dbraw/zinc/96/44/74/847964474.db2.gz QXSNINCBLHEUFH-RNIPGJKVSA-N 1 3 398.378 3.709 20 0 GHADHO Cc1ccc(-c2ncc(CNCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)s2)cc1 ZINC000657594342 848284283 /nfs/dbraw/zinc/28/42/83/848284283.db2.gz IPQVLZKGRWXPDD-OAQYLSRUSA-N 1 3 393.556 3.975 20 0 GHADHO Cc1ccc(-c2ncc(CNCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)s2)cc1 ZINC000657594342 848284292 /nfs/dbraw/zinc/28/42/92/848284292.db2.gz IPQVLZKGRWXPDD-OAQYLSRUSA-N 1 3 393.556 3.975 20 0 GHADHO CC(C)CCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593805 848285390 /nfs/dbraw/zinc/28/53/90/848285390.db2.gz KZSKKQGELDWHDL-QHCPKHFHSA-N 1 3 382.548 3.968 20 0 GHADHO CC(C)CCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593805 848285397 /nfs/dbraw/zinc/28/53/97/848285397.db2.gz KZSKKQGELDWHDL-QHCPKHFHSA-N 1 3 382.548 3.968 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cc(F)cc(C(F)(F)F)c3)cc2)C1 ZINC000657595807 848291725 /nfs/dbraw/zinc/29/17/25/848291725.db2.gz KEOKIULDJRCNOS-IBGZPJMESA-N 1 3 382.401 3.701 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cc(F)cc(C(F)(F)F)c3)cc2)C1 ZINC000657595807 848291735 /nfs/dbraw/zinc/29/17/35/848291735.db2.gz KEOKIULDJRCNOS-IBGZPJMESA-N 1 3 382.401 3.701 20 0 GHADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000604171001 861923149 /nfs/dbraw/zinc/92/31/49/861923149.db2.gz HVKIGDZJZLEGCJ-URVUXULASA-N 1 3 386.584 3.776 20 0 GHADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000604171001 861923163 /nfs/dbraw/zinc/92/31/63/861923163.db2.gz HVKIGDZJZLEGCJ-URVUXULASA-N 1 3 386.584 3.776 20 0 GHADHO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC000238063799 848948213 /nfs/dbraw/zinc/94/82/13/848948213.db2.gz BMAKCGDNDJVKEG-UHFFFAOYSA-N 1 3 377.532 3.806 20 0 GHADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503912911 849773122 /nfs/dbraw/zinc/77/31/22/849773122.db2.gz TXPFQJQXALOYIV-JRPNMDOOSA-N 1 3 392.712 3.763 20 0 GHADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423192834 849799083 /nfs/dbraw/zinc/79/90/83/849799083.db2.gz UZVJXUIDFPWQTF-QFBILLFUSA-N 1 3 380.374 3.521 20 0 GHADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760974 850059098 /nfs/dbraw/zinc/05/90/98/850059098.db2.gz ZNQOBJMOVVQAGR-VQIMIIECSA-N 1 3 397.485 3.820 20 0 GHADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760974 850059111 /nfs/dbraw/zinc/05/91/11/850059111.db2.gz ZNQOBJMOVVQAGR-VQIMIIECSA-N 1 3 397.485 3.820 20 0 GHADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc(Br)c1OC(F)F ZINC000414812157 850682052 /nfs/dbraw/zinc/68/20/52/850682052.db2.gz WXULFZRVAMNRAT-YPMHNXCESA-N 1 3 393.272 3.666 20 0 GHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505299050 850799179 /nfs/dbraw/zinc/79/91/79/850799179.db2.gz VDHANRYUEMILTM-QHCPKHFHSA-N 1 3 383.580 3.766 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000440201377 850910615 /nfs/dbraw/zinc/91/06/15/850910615.db2.gz ITEJZCJFXUOKKH-BGYRXZFFSA-N 1 3 388.600 3.646 20 0 GHADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000440201377 850910623 /nfs/dbraw/zinc/91/06/23/850910623.db2.gz ITEJZCJFXUOKKH-BGYRXZFFSA-N 1 3 388.600 3.646 20 0 GHADHO C[NH+](C)CCOc1cc(CNCc2cc3ccnc(Cl)c3s2)ccn1 ZINC000894416377 851240443 /nfs/dbraw/zinc/24/04/43/851240443.db2.gz XGUKTPJZSDXEPP-UHFFFAOYSA-N 1 3 376.913 3.575 20 0 GHADHO c1ccc2nc(N3CCC([NH2+]C4C[C@H]5CC[C@@H](C4)N5CC4CC4)CC3)cnc2c1 ZINC001167970869 851474463 /nfs/dbraw/zinc/47/44/63/851474463.db2.gz PAKBDBOKFAMQDG-SEJPIABJSA-N 1 3 391.563 3.594 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(F)ccc2s1 ZINC000505803721 851524292 /nfs/dbraw/zinc/52/42/92/851524292.db2.gz XCSINOQRBHJBFE-QGZVFWFLSA-N 1 3 377.529 3.529 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCC[C@H]12 ZINC001167960723 851530649 /nfs/dbraw/zinc/53/06/49/851530649.db2.gz AJADJOPMNQGWIZ-JKEOWOOOSA-N 1 3 389.584 3.914 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCC[C@H]12 ZINC001167960723 851530659 /nfs/dbraw/zinc/53/06/59/851530659.db2.gz AJADJOPMNQGWIZ-JKEOWOOOSA-N 1 3 389.584 3.914 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CCC[C@H]12 ZINC001167960723 851530671 /nfs/dbraw/zinc/53/06/71/851530671.db2.gz AJADJOPMNQGWIZ-JKEOWOOOSA-N 1 3 389.584 3.914 20 0 GHADHO C[NH+](C)CCCOc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000111108248 851540476 /nfs/dbraw/zinc/54/04/76/851540476.db2.gz LGHQQPPYGXENIB-UHFFFAOYSA-N 1 3 381.520 3.865 20 0 GHADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CN(C)C ZINC000425944560 852000664 /nfs/dbraw/zinc/00/06/64/852000664.db2.gz XPLIKYNADIHLOZ-NEPJUHHUSA-N 1 3 379.854 3.863 20 0 GHADHO C[C@H](CN[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C[NH+](C)C ZINC000425944560 852000672 /nfs/dbraw/zinc/00/06/72/852000672.db2.gz XPLIKYNADIHLOZ-NEPJUHHUSA-N 1 3 379.854 3.863 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000516181809 852226144 /nfs/dbraw/zinc/22/61/44/852226144.db2.gz XKEVUJNIKYYGMC-GGAORHGYSA-N 1 3 394.563 3.553 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@H](C(C)C)CC3)CC2)CC1 ZINC000570460384 852364463 /nfs/dbraw/zinc/36/44/63/852364463.db2.gz SVDFUWRKPQHQBF-FPOVZHCZSA-N 1 3 377.617 3.904 20 0 GHADHO c1coc([C@@H](CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)N2CCCC2)c1 ZINC000507513993 852993001 /nfs/dbraw/zinc/99/30/01/852993001.db2.gz SLAWANMELANLSU-GSPCLOLRSA-N 1 3 379.548 3.917 20 0 GHADHO c1coc([C@@H](CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)N2CCCC2)c1 ZINC000507513993 852993007 /nfs/dbraw/zinc/99/30/07/852993007.db2.gz SLAWANMELANLSU-GSPCLOLRSA-N 1 3 379.548 3.917 20 0 GHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000518291486 853185725 /nfs/dbraw/zinc/18/57/25/853185725.db2.gz SUNRCYOGMQCGJZ-UGKGYDQZSA-N 1 3 394.563 3.539 20 0 GHADHO COCC1(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC[NH2+]CC1 ZINC000414975394 853197223 /nfs/dbraw/zinc/19/72/23/853197223.db2.gz OBFMRFUKQVDGTM-UHFFFAOYSA-N 1 3 399.482 3.935 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000517103403 853382232 /nfs/dbraw/zinc/38/22/32/853382232.db2.gz BTBFOLAYYFGPJG-RBUKOAKNSA-N 1 3 390.597 3.545 20 0 GHADHO C[C@@H]1C[C@H](N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC[N@@H+]1C ZINC000426317666 853433359 /nfs/dbraw/zinc/43/33/59/853433359.db2.gz FRFJADRHQZURIL-NNHNJENNSA-N 1 3 384.495 3.649 20 0 GHADHO C[C@@H]1C[C@H](N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000426317666 853433367 /nfs/dbraw/zinc/43/33/67/853433367.db2.gz FRFJADRHQZURIL-NNHNJENNSA-N 1 3 384.495 3.649 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167962276 853530484 /nfs/dbraw/zinc/53/04/84/853530484.db2.gz WCOGSOIVLYTKGC-XJPWDTPTSA-N 1 3 389.584 3.627 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000519935483 853646395 /nfs/dbraw/zinc/64/63/95/853646395.db2.gz VVHCCAFUAXKAGV-VWPQPMDRSA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000519935483 853646401 /nfs/dbraw/zinc/64/64/01/853646401.db2.gz VVHCCAFUAXKAGV-VWPQPMDRSA-N 1 3 386.584 3.552 20 0 GHADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc(F)c(Br)cc1F ZINC000623903847 862506551 /nfs/dbraw/zinc/50/65/51/862506551.db2.gz PXPHCPCGQFFNPM-VXGBXAGGSA-N 1 3 379.289 3.735 20 0 GHADHO CC(C)OC(=O)c1ccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000441148410 853960960 /nfs/dbraw/zinc/96/09/60/853960960.db2.gz TXABJVRHZWMHIP-RTBURBONSA-N 1 3 388.552 3.573 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(CCCOc3ccc(Cl)cc3)CC2)CC1 ZINC000571751674 854040080 /nfs/dbraw/zinc/04/00/80/854040080.db2.gz YBQZEYRKSHRLIR-UHFFFAOYSA-N 1 3 379.976 3.601 20 0 GHADHO CCN1CCC([N@H+]2CCCN(CCCOc3ccc(Cl)cc3)CC2)CC1 ZINC000571751674 854040088 /nfs/dbraw/zinc/04/00/88/854040088.db2.gz YBQZEYRKSHRLIR-UHFFFAOYSA-N 1 3 379.976 3.601 20 0 GHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604823211 862530443 /nfs/dbraw/zinc/53/04/43/862530443.db2.gz AGMGQQPZMHPRJM-LJQANCHMSA-N 1 3 397.007 3.780 20 0 GHADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000571811837 854165040 /nfs/dbraw/zinc/16/50/40/854165040.db2.gz ZSUVDQCAVKOOJK-XXTHSBEZSA-N 1 3 383.580 3.620 20 0 GHADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000571811837 854165044 /nfs/dbraw/zinc/16/50/44/854165044.db2.gz ZSUVDQCAVKOOJK-XXTHSBEZSA-N 1 3 383.580 3.620 20 0 GHADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2ccccc2c1 ZINC000112542252 854246549 /nfs/dbraw/zinc/24/65/49/854246549.db2.gz JLOQBQVZJQOOEO-GOSISDBHSA-N 1 3 375.516 3.982 20 0 GHADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458881443 854426263 /nfs/dbraw/zinc/42/62/63/854426263.db2.gz DLIHMIMKGRJVFS-HXUWFJFHSA-N 1 3 392.613 3.529 20 0 GHADHO CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994952 854429824 /nfs/dbraw/zinc/42/98/24/854429824.db2.gz RKNJYKSGIBRJJU-GURQWTFNSA-N 1 3 377.573 3.581 20 0 GHADHO CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994952 854429829 /nfs/dbraw/zinc/42/98/29/854429829.db2.gz RKNJYKSGIBRJJU-GURQWTFNSA-N 1 3 377.573 3.581 20 0 GHADHO C[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994952 854429834 /nfs/dbraw/zinc/42/98/34/854429834.db2.gz RKNJYKSGIBRJJU-GURQWTFNSA-N 1 3 377.573 3.581 20 0 GHADHO C[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994952 854429839 /nfs/dbraw/zinc/42/98/39/854429839.db2.gz RKNJYKSGIBRJJU-GURQWTFNSA-N 1 3 377.573 3.581 20 0 GHADHO Cc1ccc(-n2cc(CNCCN3CCC([NH+](C)C)CC3)c(C(C)(C)C)n2)cc1 ZINC000152296834 854469928 /nfs/dbraw/zinc/46/99/28/854469928.db2.gz DLGOQSNWKIQFFV-UHFFFAOYSA-N 1 3 397.611 3.594 20 0 GHADHO CN1CC[NH+](CC2CCN(Cc3ccc(-c4cccc(F)c4F)o3)CC2)CC1 ZINC000572887430 855033517 /nfs/dbraw/zinc/03/35/17/855033517.db2.gz PSEBWKOCTUKAMN-UHFFFAOYSA-N 1 3 389.490 3.684 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674015764 862696103 /nfs/dbraw/zinc/69/61/03/862696103.db2.gz MOHRYPUTYLPKPB-IFMALSPDSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674015764 862696107 /nfs/dbraw/zinc/69/61/07/862696107.db2.gz MOHRYPUTYLPKPB-IFMALSPDSA-N 1 3 383.580 3.764 20 0 GHADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000573244338 856021422 /nfs/dbraw/zinc/02/14/22/856021422.db2.gz BLFRSBSOCJERGK-CEWLAPEOSA-N 1 3 395.513 3.903 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000591580474 856162711 /nfs/dbraw/zinc/16/27/11/856162711.db2.gz BWUZFWNTLRQAOP-RBBKRZOGSA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000591580474 856162715 /nfs/dbraw/zinc/16/27/15/856162715.db2.gz BWUZFWNTLRQAOP-RBBKRZOGSA-N 1 3 386.584 3.552 20 0 GHADHO O=C1[C@H](N2CCC(CCC[NH+]3CCCC3)CC2)CCCN1Cc1ccccc1 ZINC000760885824 856239003 /nfs/dbraw/zinc/23/90/03/856239003.db2.gz JVXSGFJKVVVPKK-HSZRJFAPSA-N 1 3 383.580 3.766 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2OCc2ccccn2)C[C@H](C)O1 ZINC000067452794 856267975 /nfs/dbraw/zinc/26/79/75/856267975.db2.gz SDKVSLOXQUGMBO-BGYRXZFFSA-N 1 3 383.536 3.640 20 0 GHADHO CC(=O)N1CCC[C@H](C[NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000639125020 856382353 /nfs/dbraw/zinc/38/23/53/856382353.db2.gz XYLGRKACVXQIJV-ISKFKSNPSA-N 1 3 385.596 3.773 20 0 GHADHO C[C@@H]1CC(N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009339 856397576 /nfs/dbraw/zinc/39/75/76/856397576.db2.gz HZOMAAIJKNWSDF-OMANQYLTSA-N 1 3 393.531 3.525 20 0 GHADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605135266 862799111 /nfs/dbraw/zinc/79/91/11/862799111.db2.gz PNYADBYRNYMVJY-APWZRJJASA-N 1 3 385.474 3.546 20 0 GHADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605135266 862799125 /nfs/dbraw/zinc/79/91/25/862799125.db2.gz PNYADBYRNYMVJY-APWZRJJASA-N 1 3 385.474 3.546 20 0 GHADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(F)cc(Br)c1 ZINC000181491871 862900718 /nfs/dbraw/zinc/90/07/18/862900718.db2.gz MRVGQTHUQVVVAL-GOSISDBHSA-N 1 3 386.353 3.657 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3cc(Br)ccc32)C[C@@H](C)O1 ZINC000675783385 857611319 /nfs/dbraw/zinc/61/13/19/857611319.db2.gz HEABVZZQZJJCMN-CLCXKQKWSA-N 1 3 381.358 3.915 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744443 857765093 /nfs/dbraw/zinc/76/50/93/857765093.db2.gz HXCSDAATBNRVLH-TZIWHRDSSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744443 857765099 /nfs/dbraw/zinc/76/50/99/857765099.db2.gz HXCSDAATBNRVLH-TZIWHRDSSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000065521811 857812281 /nfs/dbraw/zinc/81/22/81/857812281.db2.gz JXWKWMZUMZKPFX-REWPJTCUSA-N 1 3 394.563 3.643 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000065521811 857812288 /nfs/dbraw/zinc/81/22/88/857812288.db2.gz JXWKWMZUMZKPFX-REWPJTCUSA-N 1 3 394.563 3.643 20 0 GHADHO C[C@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCN1Cc1ccccc1 ZINC000466025127 857880623 /nfs/dbraw/zinc/88/06/23/857880623.db2.gz GFEKUJACAZTITJ-PZJWPPBQSA-N 1 3 388.600 3.659 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000486708510 858013064 /nfs/dbraw/zinc/01/30/64/858013064.db2.gz JZPCPSAMUFXBBF-VWNXMTODSA-N 1 3 391.559 3.875 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000486708510 858013069 /nfs/dbraw/zinc/01/30/69/858013069.db2.gz JZPCPSAMUFXBBF-VWNXMTODSA-N 1 3 391.559 3.875 20 0 GHADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442871826 858188598 /nfs/dbraw/zinc/18/85/98/858188598.db2.gz HEQWKGVQRRGMQU-KRWDZBQOSA-N 1 3 386.609 3.719 20 0 GHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000066704659 858256612 /nfs/dbraw/zinc/25/66/12/858256612.db2.gz VHGZJNVXKUJEMR-FQEVSTJZSA-N 1 3 390.572 3.540 20 0 GHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000066704659 858256618 /nfs/dbraw/zinc/25/66/18/858256618.db2.gz VHGZJNVXKUJEMR-FQEVSTJZSA-N 1 3 390.572 3.540 20 0 GHADHO CC(C)(C)OC(=O)[C@H]1C[C@@H](NCc2ccnn2-c2cc[nH+]cc2)c2ccccc21 ZINC000594944755 858341668 /nfs/dbraw/zinc/34/16/68/858341668.db2.gz BTQWYZLTTYZMRZ-LEWJYISDSA-N 1 3 390.487 3.927 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000574860190 858396339 /nfs/dbraw/zinc/39/63/39/858396339.db2.gz JJWMQCXLRJPKLT-FRIKZZABSA-N 1 3 376.504 3.607 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000574860190 858396344 /nfs/dbraw/zinc/39/63/44/858396344.db2.gz JJWMQCXLRJPKLT-FRIKZZABSA-N 1 3 376.504 3.607 20 0 GHADHO CCN1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521905787 858415967 /nfs/dbraw/zinc/41/59/67/858415967.db2.gz HXQDAGBJBUOZTG-HSZRJFAPSA-N 1 3 385.596 3.712 20 0 GHADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522175168 858716291 /nfs/dbraw/zinc/71/62/91/858716291.db2.gz NXLBUJYSWHTNJR-QFIPXVFZSA-N 1 3 398.595 3.599 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCN1Cc1ccccc1 ZINC000466301954 859058320 /nfs/dbraw/zinc/05/83/20/859058320.db2.gz ZIXZUIRTUNSBJL-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCN1Cc1ccccc1 ZINC000466301954 859058325 /nfs/dbraw/zinc/05/83/25/859058325.db2.gz ZIXZUIRTUNSBJL-OFNKIYASSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000483155394 859186179 /nfs/dbraw/zinc/18/61/79/859186179.db2.gz LTOYGSGKVWJQQA-IRLDBZIGSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000483155394 859186183 /nfs/dbraw/zinc/18/61/83/859186183.db2.gz LTOYGSGKVWJQQA-IRLDBZIGSA-N 1 3 383.580 3.764 20 0 GHADHO CCC(C)(C)C1CCC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000051759342 859313440 /nfs/dbraw/zinc/31/34/40/859313440.db2.gz UEPXJMWLPKROGV-UHFFFAOYSA-N 1 3 392.632 3.839 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CC3Cc4ccccc4C3)C2)ccn1 ZINC000856558239 881417962 /nfs/dbraw/zinc/41/79/62/881417962.db2.gz DISIDBMOQVLSCA-DEOSSOPVSA-N 1 3 379.548 3.790 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CC3Cc4ccccc4C3)C2)ccn1 ZINC000856558239 881418017 /nfs/dbraw/zinc/41/80/17/881418017.db2.gz DISIDBMOQVLSCA-DEOSSOPVSA-N 1 3 379.548 3.790 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3N(C)C)C2)ccn1 ZINC000856558989 881425643 /nfs/dbraw/zinc/42/56/43/881425643.db2.gz CVZXXXRHBJZVIJ-QFIPXVFZSA-N 1 3 382.552 3.641 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3N(C)C)C2)ccn1 ZINC000856558989 881425653 /nfs/dbraw/zinc/42/56/53/881425653.db2.gz CVZXXXRHBJZVIJ-QFIPXVFZSA-N 1 3 382.552 3.641 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856560830 881449424 /nfs/dbraw/zinc/44/94/24/881449424.db2.gz PHYSPFWXGPIKMI-JOCHJYFZSA-N 1 3 381.520 3.510 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856560830 881449617 /nfs/dbraw/zinc/44/96/17/881449617.db2.gz PHYSPFWXGPIKMI-JOCHJYFZSA-N 1 3 381.520 3.510 20 0 GHADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000765011885 859727118 /nfs/dbraw/zinc/72/71/18/859727118.db2.gz USDAXUHWZBJSFR-XMMPIXPASA-N 1 3 393.575 4.000 20 0 GHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000067452797 859748492 /nfs/dbraw/zinc/74/84/92/859748492.db2.gz DGIFIUSXHNZGEG-CALCHBBNSA-N 1 3 388.531 3.607 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)[C@H](C)C1 ZINC000765126262 859804476 /nfs/dbraw/zinc/80/44/76/859804476.db2.gz JJDNDEWDPVLHEV-NZSAHSFTSA-N 1 3 391.556 3.581 20 0 GHADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCO1 ZINC000856561779 881468585 /nfs/dbraw/zinc/46/85/85/881468585.db2.gz YVQLWBBOLADGOX-UZKOGDIHSA-N 1 3 375.557 3.580 20 0 GHADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CCO1 ZINC000856561779 881468588 /nfs/dbraw/zinc/46/85/88/881468588.db2.gz YVQLWBBOLADGOX-UZKOGDIHSA-N 1 3 375.557 3.580 20 0 GHADHO C[NH+](C)CCOc1ccc(CCNCc2cscc2Br)cc1 ZINC000512069523 859865799 /nfs/dbraw/zinc/86/57/99/859865799.db2.gz AHHRWANBNBWVSW-UHFFFAOYSA-N 1 3 383.355 3.783 20 0 GHADHO C[C@@H]1CC([NH2+]Cc2ccc3c(c2)NC(=O)CO3)C[C@@H](C)N1Cc1ccccc1 ZINC001168035753 860168588 /nfs/dbraw/zinc/16/85/88/860168588.db2.gz UWWHCRZTKAFSIX-IAGOWNOFSA-N 1 3 379.504 3.549 20 0 GHADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000765663323 860390743 /nfs/dbraw/zinc/39/07/43/860390743.db2.gz OFAAWOYCEFAVKF-LJQANCHMSA-N 1 3 388.556 3.546 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904572636 860519360 /nfs/dbraw/zinc/51/93/60/860519360.db2.gz LPVGKGXLDZBCAV-UHFFFAOYSA-N 1 3 390.478 3.754 20 0 GHADHO COc1cccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1F ZINC000669679839 860699143 /nfs/dbraw/zinc/69/91/43/860699143.db2.gz WRFCGXSQAGCZRK-UHFFFAOYSA-N 1 3 385.527 3.522 20 0 GHADHO COc1c(C)cnc(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1C ZINC000856598910 881571405 /nfs/dbraw/zinc/57/14/05/881571405.db2.gz CSSQOJZZESCHOJ-OAQYLSRUSA-N 1 3 398.551 3.596 20 0 GHADHO COc1c(C)cnc(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C ZINC000856598910 881571414 /nfs/dbraw/zinc/57/14/14/881571414.db2.gz CSSQOJZZESCHOJ-OAQYLSRUSA-N 1 3 398.551 3.596 20 0 GHADHO O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000642642969 860958342 /nfs/dbraw/zinc/95/83/42/860958342.db2.gz KOHRTGOGCWDSRF-MRXNPFEDSA-N 1 3 387.351 3.541 20 0 GHADHO CN1CC[C@@H]([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1(C)C ZINC000623387539 860979565 /nfs/dbraw/zinc/97/95/65/860979565.db2.gz HWEVCQYTRBCALE-MOPGFXCFSA-N 1 3 399.501 3.541 20 0 GHADHO CN1CC[C@@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1(C)C ZINC000623527011 861159771 /nfs/dbraw/zinc/15/97/71/861159771.db2.gz CXEXJXWZLNUIGR-OAHLLOKOSA-N 1 3 382.430 3.804 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000482474865 863183330 /nfs/dbraw/zinc/18/33/30/863183330.db2.gz GHXPEASTFZKMLC-DEOSSOPVSA-N 1 3 391.559 3.923 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000482474865 863183340 /nfs/dbraw/zinc/18/33/40/863183340.db2.gz GHXPEASTFZKMLC-DEOSSOPVSA-N 1 3 391.559 3.923 20 0 GHADHO C[C@H]1C[C@@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000444102617 863422700 /nfs/dbraw/zinc/42/27/00/863422700.db2.gz FXKUGVFJZKAFGU-RBUKOAKNSA-N 1 3 392.632 3.697 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(c4ccccc4)CC3(C)C)CC2)CC1 ZINC000621219608 863885501 /nfs/dbraw/zinc/88/55/01/863885501.db2.gz HGLXZWKKARLPSV-VWLOTQADSA-N 1 3 397.607 3.667 20 0 GHADHO C[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000667621069 864060738 /nfs/dbraw/zinc/06/07/38/864060738.db2.gz ZDSLPUBMJLIRFM-ISKFKSNPSA-N 1 3 380.532 3.808 20 0 GHADHO C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000667621069 864060755 /nfs/dbraw/zinc/06/07/55/864060755.db2.gz ZDSLPUBMJLIRFM-ISKFKSNPSA-N 1 3 380.532 3.808 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](CC)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000480256001 864339654 /nfs/dbraw/zinc/33/96/54/864339654.db2.gz YBYREXUZRYLJFF-QDSKXPNFSA-N 1 3 387.612 3.550 20 0 GHADHO CN(CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000532584877 864391963 /nfs/dbraw/zinc/39/19/63/864391963.db2.gz NTUALBURGSOZSQ-XMSQKQJNSA-N 1 3 385.577 3.617 20 0 GHADHO CN(CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000532584877 864391974 /nfs/dbraw/zinc/39/19/74/864391974.db2.gz NTUALBURGSOZSQ-XMSQKQJNSA-N 1 3 385.577 3.617 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000163676602 864552550 /nfs/dbraw/zinc/55/25/50/864552550.db2.gz RITCOUHWFSFSOX-LJQANCHMSA-N 1 3 385.527 3.520 20 0 GHADHO COc1cc(CC[NH2+][C@H]2CCC[C@H]2CN)cc(OC)c1OCc1ccccc1 ZINC000622044737 864721149 /nfs/dbraw/zinc/72/11/49/864721149.db2.gz QRPWNLYDXAOQKN-PMACEKPBSA-N 1 3 384.520 3.542 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000622442875 865010275 /nfs/dbraw/zinc/01/02/75/865010275.db2.gz UYKNXTORXMGFFM-HSZRJFAPSA-N 1 3 394.563 3.602 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000622442875 865010285 /nfs/dbraw/zinc/01/02/85/865010285.db2.gz UYKNXTORXMGFFM-HSZRJFAPSA-N 1 3 394.563 3.602 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000554833971 865016354 /nfs/dbraw/zinc/01/63/54/865016354.db2.gz RQHOAJFVSYMVPZ-DEOSSOPVSA-N 1 3 396.575 3.914 20 0 GHADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(C2CCCCC2)cc1 ZINC000168930391 865017498 /nfs/dbraw/zinc/01/74/98/865017498.db2.gz KGNVWVNHEYKYOJ-NRFANRHFSA-N 1 3 387.612 3.775 20 0 GHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(N2CCCC2=O)c1 ZINC000171131035 865153806 /nfs/dbraw/zinc/15/38/06/865153806.db2.gz HKRBGVJMJIDAKX-IBGZPJMESA-N 1 3 395.547 3.995 20 0 GHADHO CC(C)C[NH+]1CCC(N[C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000128496951 865668327 /nfs/dbraw/zinc/66/83/27/865668327.db2.gz FOCGJLTZJQFZFN-OAHLLOKOSA-N 1 3 396.373 3.876 20 0 GHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C(F)(F)F)cc1 ZINC000173429022 865805529 /nfs/dbraw/zinc/80/55/29/865805529.db2.gz PFPCRVYJYWYLPU-HNNXBMFYSA-N 1 3 393.453 3.848 20 0 GHADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@H]2CCCC(F)(F)C2)CC1 ZINC000514111309 865855074 /nfs/dbraw/zinc/85/50/74/865855074.db2.gz OZFIPKOXGWQFKY-SFHVURJKSA-N 1 3 381.511 3.575 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000533986204 865885418 /nfs/dbraw/zinc/88/54/18/865885418.db2.gz NHBCYSZSOCGBCP-DWQJTFDBSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000533986204 865885424 /nfs/dbraw/zinc/88/54/24/865885424.db2.gz NHBCYSZSOCGBCP-DWQJTFDBSA-N 1 3 398.595 3.728 20 0 GHADHO COc1cc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1OCCO ZINC000481169232 865912480 /nfs/dbraw/zinc/91/24/80/865912480.db2.gz BUSMTAXWWJABPY-IPJJNNNSSA-N 1 3 398.547 3.628 20 0 GHADHO COc1cc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1OCCO ZINC000481169232 865912488 /nfs/dbraw/zinc/91/24/88/865912488.db2.gz BUSMTAXWWJABPY-IPJJNNNSSA-N 1 3 398.547 3.628 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187412 865953477 /nfs/dbraw/zinc/95/34/77/865953477.db2.gz JIUUBVNPWUFVNB-JPYJTQIMSA-N 1 3 377.532 3.614 20 0 GHADHO CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475544726 866253295 /nfs/dbraw/zinc/25/32/95/866253295.db2.gz WIOQJEMKEYUQEN-HSZRJFAPSA-N 1 3 377.532 3.629 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCNC(=O)C2CCC2)cc1CN1CCCCC1 ZINC000183316088 866592357 /nfs/dbraw/zinc/59/23/57/866592357.db2.gz FSHRTWNYHBYJIG-SFHVURJKSA-N 1 3 387.568 3.638 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CC2(OC)CCOCC2)cc1CN1CCCCC1 ZINC000183368257 866667733 /nfs/dbraw/zinc/66/77/33/866667733.db2.gz KWMLGQXDELINNL-GOSISDBHSA-N 1 3 376.541 3.527 20 0 GHADHO FC(F)(F)C[C@@H]1CCN(CCOCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444699395 867083600 /nfs/dbraw/zinc/08/36/00/867083600.db2.gz UBXQTDKYDVVRQX-KBPBESRZSA-N 1 3 376.385 3.552 20 0 GHADHO FC(F)(F)C[C@@H]1CCN(CCOCC[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444699395 867083616 /nfs/dbraw/zinc/08/36/16/867083616.db2.gz UBXQTDKYDVVRQX-KBPBESRZSA-N 1 3 376.385 3.552 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4oc(C5CC5)nc4c3)CC2)CC1 ZINC000553300349 867159689 /nfs/dbraw/zinc/15/96/89/867159689.db2.gz FUROQBCSPWMELE-UHFFFAOYSA-N 1 3 396.535 3.840 20 0 GHADHO CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000455925351 867295131 /nfs/dbraw/zinc/29/51/31/867295131.db2.gz NAWLQALTMUSDJC-GGAORHGYSA-N 1 3 392.547 3.974 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000154220536 867306412 /nfs/dbraw/zinc/30/64/12/867306412.db2.gz KUXHLPVWKKVENL-MRXNPFEDSA-N 1 3 390.572 3.936 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccccc2OCc2ccccc2)CC1 ZINC000154248493 867320170 /nfs/dbraw/zinc/32/01/70/867320170.db2.gz HNLXHAQNHAJKRU-NRFANRHFSA-N 1 3 381.564 3.944 20 0 GHADHO CC(C)C[C@@H]1CCCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154330596 867356994 /nfs/dbraw/zinc/35/69/94/867356994.db2.gz HBQWJQZDJHNIAX-NRFANRHFSA-N 1 3 378.605 3.545 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000121330808 882075908 /nfs/dbraw/zinc/07/59/08/882075908.db2.gz IFNHZVVSCNLXBS-GJZGRUSLSA-N 1 3 389.918 3.866 20 0 GHADHO C[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000479496320 867887495 /nfs/dbraw/zinc/88/74/95/867887495.db2.gz APGYGJGMUGBACG-VQTJNVASSA-N 1 3 385.596 3.518 20 0 GHADHO CN(CC1CC[NH+](C)CC1)Cn1ncc2cc(OCc3ccccc3)ccc21 ZINC000743362793 868113218 /nfs/dbraw/zinc/11/32/18/868113218.db2.gz QWTNEBUMIPAPGQ-UHFFFAOYSA-N 1 3 378.520 3.846 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000457520782 868440115 /nfs/dbraw/zinc/44/01/15/868440115.db2.gz SGKIYDUSNTZKAE-UHFFFAOYSA-N 1 3 391.987 3.584 20 0 GHADHO CCc1ccccc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000445811472 869014914 /nfs/dbraw/zinc/01/49/14/869014914.db2.gz RSVIAYPSYOBBOU-UHFFFAOYSA-N 1 3 393.575 3.709 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000462674603 869881457 /nfs/dbraw/zinc/88/14/57/869881457.db2.gz KLXDETGDJHEGBN-GJZGRUSLSA-N 1 3 384.467 3.864 20 0 GHADHO C[C@@H](CCc1ccsc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000462791018 870086956 /nfs/dbraw/zinc/08/69/56/870086956.db2.gz PZTQEMNSERDNSL-SFHVURJKSA-N 1 3 385.577 3.685 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000462799814 870117162 /nfs/dbraw/zinc/11/71/62/870117162.db2.gz YCBRJLHCPBKTRG-TUACAJSNSA-N 1 3 385.596 3.509 20 0 GHADHO C[C@H](c1ccccc1)N(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045837 870298544 /nfs/dbraw/zinc/29/85/44/870298544.db2.gz QTPJXQKKXYYYLQ-HXUWFJFHSA-N 1 3 394.563 3.840 20 0 GHADHO CN1CC[NH+](CC2(C)CCN(CCCc3c(F)cccc3Cl)CC2)CC1 ZINC000446759141 870341693 /nfs/dbraw/zinc/34/16/93/870341693.db2.gz AVQFWDYQJBVSLR-UHFFFAOYSA-N 1 3 381.967 3.761 20 0 GHADHO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)o1 ZINC000538724234 870430886 /nfs/dbraw/zinc/43/08/86/870430886.db2.gz YVOHIBASCORRPD-JTSKRJEESA-N 1 3 385.527 3.852 20 0 GHADHO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)o1 ZINC000538724234 870430893 /nfs/dbraw/zinc/43/08/93/870430893.db2.gz YVOHIBASCORRPD-JTSKRJEESA-N 1 3 385.527 3.852 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000540156085 870642725 /nfs/dbraw/zinc/64/27/25/870642725.db2.gz FOJJYNJSBTUVGQ-APWZRJJASA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000540156085 870642733 /nfs/dbraw/zinc/64/27/33/870642733.db2.gz FOJJYNJSBTUVGQ-APWZRJJASA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H]1[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241638 871240690 /nfs/dbraw/zinc/24/06/90/871240690.db2.gz CWWVZCUOKAOLEC-DVJXIFHOSA-N 1 3 391.559 3.819 20 0 GHADHO C[C@@H]1[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241638 871240711 /nfs/dbraw/zinc/24/07/11/871240711.db2.gz CWWVZCUOKAOLEC-DVJXIFHOSA-N 1 3 391.559 3.819 20 0 GHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(Br)cc1C(F)(F)F ZINC000539066645 871241447 /nfs/dbraw/zinc/24/14/47/871241447.db2.gz PIYUMUFFZDGGSH-SMDDNHRTSA-N 1 3 395.263 3.777 20 0 GHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(Br)cc1C(F)(F)F ZINC000539066645 871241464 /nfs/dbraw/zinc/24/14/64/871241464.db2.gz PIYUMUFFZDGGSH-SMDDNHRTSA-N 1 3 395.263 3.777 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(Cc4cc(Br)ccc4O3)CC1)C2 ZINC001169152688 871265887 /nfs/dbraw/zinc/26/58/87/871265887.db2.gz CPYFTDVGCXLMAI-BCDXTJNWSA-N 1 3 391.353 3.844 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(Cc4cc(Br)ccc4O3)CC1)C2 ZINC001169152688 871265908 /nfs/dbraw/zinc/26/59/08/871265908.db2.gz CPYFTDVGCXLMAI-BCDXTJNWSA-N 1 3 391.353 3.844 20 0 GHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@](C)(CO)Cc2ccccc2)CC1 ZINC000449279894 871287251 /nfs/dbraw/zinc/28/72/51/871287251.db2.gz UIZHXHOWHOMRBM-SQJMNOBHSA-N 1 3 380.576 3.913 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)[C@H](C)C1 ZINC000122288861 882502633 /nfs/dbraw/zinc/50/26/33/882502633.db2.gz ARLKAQDNAWXVSY-MSYCTHLASA-N 1 3 384.568 3.968 20 0 GHADHO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926237 872040870 /nfs/dbraw/zinc/04/08/70/872040870.db2.gz ARYZXBVWSGDNMH-KRWDZBQOSA-N 1 3 384.442 3.641 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1CN1CCCCC1 ZINC000182281446 872155658 /nfs/dbraw/zinc/15/56/58/872155658.db2.gz INYLZUIRUUTPCR-KRWDZBQOSA-N 1 3 384.568 3.925 20 0 GHADHO C[C@]1(NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCc2ccccc21 ZINC000540907069 872456665 /nfs/dbraw/zinc/45/66/65/872456665.db2.gz XPFIBRLNMCJNSJ-VWLOTQADSA-N 1 3 391.559 3.740 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccsc1 ZINC000478403684 872952278 /nfs/dbraw/zinc/95/22/78/872952278.db2.gz KVCUCJUQAGSMJA-SFHVURJKSA-N 1 3 380.602 3.552 20 0 GHADHO Brc1ccc(-n2cc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cn2)cc1 ZINC000470018099 873383020 /nfs/dbraw/zinc/38/30/20/873383020.db2.gz MVNLPDQUSLQCLP-IBGZPJMESA-N 1 3 389.341 3.599 20 0 GHADHO Brc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(CC3CC3)CC2)s1 ZINC000527640890 873392397 /nfs/dbraw/zinc/39/23/97/873392397.db2.gz HUUYTXMMJYBYLC-UHFFFAOYSA-N 1 3 395.370 3.865 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541763498 874231353 /nfs/dbraw/zinc/23/13/53/874231353.db2.gz OHAXNCCLWSDOKG-QMMLZNLJSA-N 1 3 399.966 3.627 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541763498 874231363 /nfs/dbraw/zinc/23/13/63/874231363.db2.gz OHAXNCCLWSDOKG-QMMLZNLJSA-N 1 3 399.966 3.627 20 0 GHADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000858101007 882846939 /nfs/dbraw/zinc/84/69/39/882846939.db2.gz WMDBKZRSRCSBND-AEFFLSMTSA-N 1 3 391.556 3.723 20 0 GHADHO CCc1oc2ccccc2c1CN1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449511091 874977492 /nfs/dbraw/zinc/97/74/92/874977492.db2.gz YGUWXUKKDSRFLJ-FQEVSTJZSA-N 1 3 397.563 3.761 20 0 GHADHO CCc1oc2ccccc2c1CN1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449511091 874977497 /nfs/dbraw/zinc/97/74/97/874977497.db2.gz YGUWXUKKDSRFLJ-FQEVSTJZSA-N 1 3 397.563 3.761 20 0 GHADHO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000192471845 882926146 /nfs/dbraw/zinc/92/61/46/882926146.db2.gz PSQUJFUOSKZDOK-RDPSFJRHSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC(F)(F)C1 ZINC000529585386 876359612 /nfs/dbraw/zinc/35/96/12/876359612.db2.gz GFKCJAYQDXFOEW-XLIONFOSSA-N 1 3 378.507 3.939 20 0 GHADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000109355899 876940395 /nfs/dbraw/zinc/94/03/95/876940395.db2.gz XYWFKNFWRQDQPE-QHCPKHFHSA-N 1 3 398.595 3.605 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000850517376 876988583 /nfs/dbraw/zinc/98/85/83/876988583.db2.gz ZMDTZSMXQRPSLA-LJQANCHMSA-N 1 3 392.547 3.771 20 0 GHADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000642629844 912229762 /nfs/dbraw/zinc/22/97/62/912229762.db2.gz UHDPAXOAVPORFQ-SFHVURJKSA-N 1 3 393.531 3.897 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccsc1 ZINC000137770708 877610186 /nfs/dbraw/zinc/61/01/86/877610186.db2.gz JEEGEXBHPFNQEX-KVZIAJEVSA-N 1 3 380.602 3.551 20 0 GHADHO C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066484 912259886 /nfs/dbraw/zinc/25/98/86/912259886.db2.gz ZCDUDIFICZOVBA-RTBURBONSA-N 1 3 397.604 3.503 20 0 GHADHO C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066484 912259887 /nfs/dbraw/zinc/25/98/87/912259887.db2.gz ZCDUDIFICZOVBA-RTBURBONSA-N 1 3 397.604 3.503 20 0 GHADHO Clc1ccc2c(n1)[C@H]([NH2+]CCCCN1CCN(c3ccccc3)CC1)CC2 ZINC000788644920 878204587 /nfs/dbraw/zinc/20/45/87/878204587.db2.gz VZSZTNYDTMYTNT-HXUWFJFHSA-N 1 3 384.955 3.914 20 0 GHADHO COc1ccc([C@@H](NCCN2CCC([NH+](C)C)CC2)c2ccc(F)cc2)cc1 ZINC000493062912 878244190 /nfs/dbraw/zinc/24/41/90/878244190.db2.gz UTZWUDWXWZOHMC-QHCPKHFHSA-N 1 3 385.527 3.539 20 0 GHADHO COc1ccc([C@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245654238 878293655 /nfs/dbraw/zinc/29/36/55/878293655.db2.gz DEGKCDHCQHRCJR-YCSHWKNNSA-N 1 3 380.532 3.904 20 0 GHADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000177052059 878539219 /nfs/dbraw/zinc/53/92/19/878539219.db2.gz FEIHOXHQQPYGHQ-UHFFFAOYSA-N 1 3 382.346 3.584 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C[C@H](C)O1 ZINC000530939618 878776349 /nfs/dbraw/zinc/77/63/49/878776349.db2.gz GUKZADPKZNBOGR-CALCHBBNSA-N 1 3 382.495 3.999 20 0 GHADHO O[C@@H](CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120226 878827446 /nfs/dbraw/zinc/82/74/46/878827446.db2.gz HPNZUPPSKQQAMO-KNQAVFIVSA-N 1 3 386.486 3.890 20 0 GHADHO O[C@@H](CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120226 878827453 /nfs/dbraw/zinc/82/74/53/878827453.db2.gz HPNZUPPSKQQAMO-KNQAVFIVSA-N 1 3 386.486 3.890 20 0 GHADHO O[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120226 878827461 /nfs/dbraw/zinc/82/74/61/878827461.db2.gz HPNZUPPSKQQAMO-KNQAVFIVSA-N 1 3 386.486 3.890 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000111386271 879082160 /nfs/dbraw/zinc/08/21/60/879082160.db2.gz ZDBJMFWFRKEJHM-INIZCTEOSA-N 1 3 385.533 3.883 20 0 GHADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000111386271 879082179 /nfs/dbraw/zinc/08/21/79/879082179.db2.gz ZDBJMFWFRKEJHM-INIZCTEOSA-N 1 3 385.533 3.883 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1ccccc1O2 ZINC000538291360 879190319 /nfs/dbraw/zinc/19/03/19/879190319.db2.gz RUCWBQANMMXQBD-QHAWAJNXSA-N 1 3 380.536 3.945 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NCCOc1ccc(F)c(F)c1)c1ccccc1O2 ZINC000538299373 879212618 /nfs/dbraw/zinc/21/26/18/879212618.db2.gz HTDNLEOWGSMOEV-HXUWFJFHSA-N 1 3 388.458 3.921 20 0 GHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1O2 ZINC000538299373 879212635 /nfs/dbraw/zinc/21/26/35/879212635.db2.gz HTDNLEOWGSMOEV-HXUWFJFHSA-N 1 3 388.458 3.921 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000246494359 879618474 /nfs/dbraw/zinc/61/84/74/879618474.db2.gz SFDUFBNYFAGLAR-HSALFYBXSA-N 1 3 398.469 3.930 20 0 GHADHO CC(C)C[C@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)NCC[NH+](C)C ZINC000538545237 879654227 /nfs/dbraw/zinc/65/42/27/879654227.db2.gz MCMBIZSHENAFQI-IRXDYDNUSA-N 1 3 383.989 3.559 20 0 GHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000493966370 879782378 /nfs/dbraw/zinc/78/23/78/879782378.db2.gz AEMRLFKNLMQCMB-GBXCKJPGSA-N 1 3 381.564 3.690 20 0 GHADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247214156 879943689 /nfs/dbraw/zinc/94/36/89/879943689.db2.gz XFANGCDJWXMKIY-IXDOHACOSA-N 1 3 384.561 3.638 20 0 GHADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247214156 879943705 /nfs/dbraw/zinc/94/37/05/879943705.db2.gz XFANGCDJWXMKIY-IXDOHACOSA-N 1 3 384.561 3.638 20 0 GHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000453114499 880483636 /nfs/dbraw/zinc/48/36/36/880483636.db2.gz VTBKUOGHNMONJC-PMACEKPBSA-N 1 3 382.552 3.798 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)c2)n1 ZINC000453114250 880485048 /nfs/dbraw/zinc/48/50/48/880485048.db2.gz SWJGAQALVQYYCF-KMDXXIMOSA-N 1 3 387.531 3.800 20 0 GHADHO c1ncn(-c2cccc(CN[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)c2)n1 ZINC000453114250 880485059 /nfs/dbraw/zinc/48/50/59/880485059.db2.gz SWJGAQALVQYYCF-KMDXXIMOSA-N 1 3 387.531 3.800 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000537621952 881098881 /nfs/dbraw/zinc/09/88/81/881098881.db2.gz MCGGGRPTEHRTPH-UHFFFAOYSA-N 1 3 395.595 3.705 20 0 GHADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000565421862 883261492 /nfs/dbraw/zinc/26/14/92/883261492.db2.gz JVWWOGYZWSPBHT-IOMROCGXSA-N 1 3 382.552 3.873 20 0 GHADHO CC(C)(C)OC1CC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000551263637 883572121 /nfs/dbraw/zinc/57/21/21/883572121.db2.gz CTZARIIAHARYIV-HWELCPFYSA-N 1 3 386.580 3.851 20 0 GHADHO Brc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000193985655 883618300 /nfs/dbraw/zinc/61/83/00/883618300.db2.gz MNGHUWYMTIQLBH-IFXJQAMLSA-N 1 3 379.342 3.527 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000227280760 883990848 /nfs/dbraw/zinc/99/08/48/883990848.db2.gz NBFUQXFKODWLRC-DNQXCXABSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000227280760 883990852 /nfs/dbraw/zinc/99/08/52/883990852.db2.gz NBFUQXFKODWLRC-DNQXCXABSA-N 1 3 391.559 3.852 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000556218184 884168734 /nfs/dbraw/zinc/16/87/34/884168734.db2.gz QMYZAMZTHFEJSK-RDPSFJRHSA-N 1 3 379.548 3.523 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000556218184 884168745 /nfs/dbraw/zinc/16/87/45/884168745.db2.gz QMYZAMZTHFEJSK-RDPSFJRHSA-N 1 3 379.548 3.523 20 0 GHADHO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000130477334 884678649 /nfs/dbraw/zinc/67/86/49/884678649.db2.gz AVLNLBJANWUROB-INIZCTEOSA-N 1 3 388.943 3.736 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H](C)C1 ZINC000495163422 884699884 /nfs/dbraw/zinc/69/98/84/884699884.db2.gz BCKXSKCIOCSYDD-WWMYMODYSA-N 1 3 397.966 3.784 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H](C)C1 ZINC000495163422 884699896 /nfs/dbraw/zinc/69/98/96/884699896.db2.gz BCKXSKCIOCSYDD-WWMYMODYSA-N 1 3 397.966 3.784 20 0 GHADHO CN(C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000060954877 884948145 /nfs/dbraw/zinc/94/81/45/884948145.db2.gz QQAHEJKIRWYHPN-QHCPKHFHSA-N 1 3 394.563 3.775 20 0 GHADHO O=C(CCC[NH+](Cc1ccccc1)Cc1ccccc1)N1CCN2CCC1CC2 ZINC001183982712 912942071 /nfs/dbraw/zinc/94/20/71/912942071.db2.gz CXVZBNDETMZZTN-UHFFFAOYSA-N 1 3 391.559 3.776 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccc(Cn4ccnc4)cc3)c3ccccc23)CC1 ZINC001170528322 885550382 /nfs/dbraw/zinc/55/03/82/885550382.db2.gz LLGFUXLLCGXDHJ-UHFFFAOYSA-N 1 3 399.542 3.841 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3ccc4[nH]c(=S)[nH]c4c3)c3ccccc23)CC1 ZINC001170527832 885563803 /nfs/dbraw/zinc/56/38/03/885563803.db2.gz AWBTTZPTLXBDFT-UHFFFAOYSA-N 1 3 391.544 3.761 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)c2)n1 ZINC000556892287 886521671 /nfs/dbraw/zinc/52/16/71/886521671.db2.gz JLKOYZIJWVONLF-LMMKCTJWSA-N 1 3 385.533 3.559 20 0 GHADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)c2)n1 ZINC000556892287 886521677 /nfs/dbraw/zinc/52/16/77/886521677.db2.gz JLKOYZIJWVONLF-LMMKCTJWSA-N 1 3 385.533 3.559 20 0 GHADHO c1cc2c(cccc2C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000236698256 886878944 /nfs/dbraw/zinc/87/89/44/886878944.db2.gz IXXCOICPWKXSAP-UHFFFAOYSA-N 1 3 376.548 3.856 20 0 GHADHO C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915493048 887097953 /nfs/dbraw/zinc/09/79/53/887097953.db2.gz NFOBLRSLVAVUBU-XXBNENTESA-N 1 3 398.595 3.523 20 0 GHADHO C[C@H](c1ccccc1Cl)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777834 887783404 /nfs/dbraw/zinc/78/34/04/887783404.db2.gz MBJYFVQEPSQBLN-MRXNPFEDSA-N 1 3 392.975 3.601 20 0 GHADHO C[N@@H+]1C[C@@]23CN(C[C@@]4(C)CCCN(C(=O)OC(C)(C)C)C4)C[C@]2(C1)CCCC3 ZINC001184399625 913180550 /nfs/dbraw/zinc/18/05/50/913180550.db2.gz ZELKPZUHLVWTOA-ZLNRFVROSA-N 1 3 391.600 3.831 20 0 GHADHO C[N@H+]1C[C@@]23CN(C[C@@]4(C)CCCN(C(=O)OC(C)(C)C)C4)C[C@]2(C1)CCCC3 ZINC001184399625 913180559 /nfs/dbraw/zinc/18/05/59/913180559.db2.gz ZELKPZUHLVWTOA-ZLNRFVROSA-N 1 3 391.600 3.831 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403204 913185984 /nfs/dbraw/zinc/18/59/84/913185984.db2.gz AHGXRDZQWMOUTM-ICSRJNTNSA-N 1 3 391.987 3.933 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184403204 913185995 /nfs/dbraw/zinc/18/59/95/913185995.db2.gz AHGXRDZQWMOUTM-ICSRJNTNSA-N 1 3 391.987 3.933 20 0 GHADHO CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001184402915 913186929 /nfs/dbraw/zinc/18/69/29/913186929.db2.gz PLMULPJXEQQNFJ-LJQANCHMSA-N 1 3 391.987 3.885 20 0 GHADHO CC1CCN([C@H](CNC(=O)CCN(C)c2cc[nH+]cc2)c2cccs2)CC1 ZINC000543716300 888052820 /nfs/dbraw/zinc/05/28/20/888052820.db2.gz VUXCDOKMHKSOAN-LJQANCHMSA-N 1 3 386.565 3.559 20 0 GHADHO C[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001170594542 888070287 /nfs/dbraw/zinc/07/02/87/888070287.db2.gz UIWQIWQXMNXDEA-RPWUZVMVSA-N 1 3 378.564 3.642 20 0 GHADHO C[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001170594542 888070305 /nfs/dbraw/zinc/07/03/05/888070305.db2.gz UIWQIWQXMNXDEA-RPWUZVMVSA-N 1 3 378.564 3.642 20 0 GHADHO OC1(CNCc2csc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397586085 888111584 /nfs/dbraw/zinc/11/15/84/888111584.db2.gz HDSRDPBSFFDTCC-UHFFFAOYSA-N 1 3 395.366 3.627 20 0 GHADHO OC1(C[NH2+]Cc2csc(Br)c2)CCN(Cc2ccccc2)CC1 ZINC000397586085 888111590 /nfs/dbraw/zinc/11/15/90/888111590.db2.gz HDSRDPBSFFDTCC-UHFFFAOYSA-N 1 3 395.366 3.627 20 0 GHADHO CN1c2ccc(C[NH2+]C[C@H]3CCCCN(Cc4ccccc4)C3)cc2CCC1=O ZINC000810177516 888261963 /nfs/dbraw/zinc/26/19/63/888261963.db2.gz HCUSMKSDASKLRT-JOCHJYFZSA-N 1 3 391.559 3.988 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cnc2c(F)cccc2c1 ZINC000865525246 888409319 /nfs/dbraw/zinc/40/93/19/888409319.db2.gz VBKVFIDBMTVBAM-OAQYLSRUSA-N 1 3 379.479 3.620 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cnc2c(F)cccc2c1 ZINC000865525246 888409325 /nfs/dbraw/zinc/40/93/25/888409325.db2.gz VBKVFIDBMTVBAM-OAQYLSRUSA-N 1 3 379.479 3.620 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249086992 891493927 /nfs/dbraw/zinc/49/39/27/891493927.db2.gz UCEBRUNTANDEPV-NHCUHLMSSA-N 1 3 393.641 3.832 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249086992 891493932 /nfs/dbraw/zinc/49/39/32/891493932.db2.gz UCEBRUNTANDEPV-NHCUHLMSSA-N 1 3 393.641 3.832 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1)C(C)C ZINC000497399002 891495646 /nfs/dbraw/zinc/49/56/46/891495646.db2.gz KZAYHBCXXAMZHA-PKTZIBPZSA-N 1 3 379.548 3.745 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1)C(C)C ZINC000497399002 891495656 /nfs/dbraw/zinc/49/56/56/891495656.db2.gz KZAYHBCXXAMZHA-PKTZIBPZSA-N 1 3 379.548 3.745 20 0 GHADHO COc1c(C)cc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1Cl ZINC000873242841 891545765 /nfs/dbraw/zinc/54/57/65/891545765.db2.gz GMBBRTMSQMDAQV-AWEZNQCLSA-N 1 3 385.899 3.547 20 0 GHADHO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc(CN4CCCC4)c3)cc2)CC1 ZINC000139285596 891625318 /nfs/dbraw/zinc/62/53/18/891625318.db2.gz RMSLAKGVBQUHLM-UHFFFAOYSA-N 1 3 392.547 3.677 20 0 GHADHO C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc(CN4CCCC4)c3)cc2)CC1 ZINC000139285596 891625326 /nfs/dbraw/zinc/62/53/26/891625326.db2.gz RMSLAKGVBQUHLM-UHFFFAOYSA-N 1 3 392.547 3.677 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001275367543 913582333 /nfs/dbraw/zinc/58/23/33/913582333.db2.gz KYFBSYIURUVWOD-NRFANRHFSA-N 1 3 385.577 3.551 20 0 GHADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001275367543 913582341 /nfs/dbraw/zinc/58/23/41/913582341.db2.gz KYFBSYIURUVWOD-NRFANRHFSA-N 1 3 385.577 3.551 20 0 GHADHO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508695121 892654610 /nfs/dbraw/zinc/65/46/10/892654610.db2.gz HMXLEAKZKBIXGI-WMZOPIPTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1ccc(C(F)(F)F)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508695121 892654614 /nfs/dbraw/zinc/65/46/14/892654614.db2.gz HMXLEAKZKBIXGI-WMZOPIPTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1ccc(C(F)(F)F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508695121 892654619 /nfs/dbraw/zinc/65/46/19/892654619.db2.gz HMXLEAKZKBIXGI-WMZOPIPTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508715733 892866275 /nfs/dbraw/zinc/86/62/75/892866275.db2.gz XMECKOVPUAWEAE-WMZOPIPTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1cccc(C(F)(F)F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715733 892866281 /nfs/dbraw/zinc/86/62/81/892866281.db2.gz XMECKOVPUAWEAE-WMZOPIPTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@H](NCCOc1cccc(C(F)(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715733 892866290 /nfs/dbraw/zinc/86/62/90/892866290.db2.gz XMECKOVPUAWEAE-WMZOPIPTSA-N 1 3 393.453 3.979 20 0 GHADHO CC(C)(C)OC1CCN(CCOCC[NH+]2CCC(OC(C)(C)C)CC2)CC1 ZINC000162655176 892969913 /nfs/dbraw/zinc/96/99/13/892969913.db2.gz MLRLTKDSIHXRNA-UHFFFAOYSA-N 1 3 384.605 3.562 20 0 GHADHO C[C@H]1CN(c2ccccc2CNCc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC000459397449 893456284 /nfs/dbraw/zinc/45/62/84/893456284.db2.gz DSDJBPMWONGDCV-FQEVSTJZSA-N 1 3 397.563 3.532 20 0 GHADHO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000459530360 893741484 /nfs/dbraw/zinc/74/14/84/893741484.db2.gz PKYLIHUZHPXTHL-IRLDBZIGSA-N 1 3 379.548 3.523 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000563693182 894080253 /nfs/dbraw/zinc/08/02/53/894080253.db2.gz UYWSBJZOZIVCDZ-SFTDATJTSA-N 1 3 388.943 3.552 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857994 894548107 /nfs/dbraw/zinc/54/81/07/894548107.db2.gz SGHKWIXDQQKJRK-VXGBXAGGSA-N 1 3 377.838 3.808 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847236 895280770 /nfs/dbraw/zinc/28/07/70/895280770.db2.gz KZDGEAOOWBZLNU-ZJSXRUAMSA-N 1 3 396.575 3.864 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847236 895280777 /nfs/dbraw/zinc/28/07/77/895280777.db2.gz KZDGEAOOWBZLNU-ZJSXRUAMSA-N 1 3 396.575 3.864 20 0 GHADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847236 895280784 /nfs/dbraw/zinc/28/07/84/895280784.db2.gz KZDGEAOOWBZLNU-ZJSXRUAMSA-N 1 3 396.575 3.864 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)CC2)CC1 ZINC000565193261 895452004 /nfs/dbraw/zinc/45/20/04/895452004.db2.gz XLCRKGHHEVHECJ-JTHBVZDNSA-N 1 3 397.607 3.710 20 0 GHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)c1c(F)cccc1Cl ZINC000817916692 895960532 /nfs/dbraw/zinc/96/05/32/895960532.db2.gz ANKSNEGNOYYOGE-SNLNFDIBSA-N 1 3 390.886 3.747 20 0 GHADHO [NH3+]CCc1ccc(CN[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)cc1 ZINC000817949267 895975351 /nfs/dbraw/zinc/97/53/51/895975351.db2.gz PKLFASRTMOUAGQ-WOJBJXKFSA-N 1 3 389.337 3.960 20 0 GHADHO CCOc1ccc(Cc2cc(Br)ccc2N[C@@H](N)CCC[NH3+])cc1 ZINC001170898062 896106145 /nfs/dbraw/zinc/10/61/45/896106145.db2.gz BHLAFSBOOWVXTR-LJQANCHMSA-N 1 3 392.341 3.874 20 0 GHADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444235 896317789 /nfs/dbraw/zinc/31/77/89/896317789.db2.gz LCVCYYMWNGDLLF-WRWLIDTKSA-N 1 3 397.485 3.546 20 0 GHADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444235 896317800 /nfs/dbraw/zinc/31/78/00/896317800.db2.gz LCVCYYMWNGDLLF-WRWLIDTKSA-N 1 3 397.485 3.546 20 0 GHADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(Cl)c(F)c1 ZINC000819015148 896349079 /nfs/dbraw/zinc/34/90/79/896349079.db2.gz DSJFPNXUAQBSHO-UTKZUKDTSA-N 1 3 376.903 3.667 20 0 GHADHO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000567581714 897269712 /nfs/dbraw/zinc/26/97/12/897269712.db2.gz NCNCHTDTTYVXKH-DCEDVJGZSA-N 1 3 394.559 3.536 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccccc3F)C(C)C)CC2)CC1 ZINC000568897952 898199542 /nfs/dbraw/zinc/19/95/42/898199542.db2.gz FFMOAMPTOJBSDH-UHFFFAOYSA-N 1 3 389.559 3.759 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000569039139 898291653 /nfs/dbraw/zinc/29/16/53/898291653.db2.gz PDPBFKYWKIFRFH-VAXXYWNWSA-N 1 3 398.522 3.757 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnc(-c4ccccc4)c3)CC2)CC1 ZINC000569138481 898362588 /nfs/dbraw/zinc/36/25/88/898362588.db2.gz WHVSXSJEZRXUQB-UHFFFAOYSA-N 1 3 392.547 3.883 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000570520444 899356828 /nfs/dbraw/zinc/35/68/28/899356828.db2.gz YGUQHRCPTXLJOQ-LJQANCHMSA-N 1 3 375.582 3.780 20 0 GHADHO Clc1cnc(NCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000572026557 900039708 /nfs/dbraw/zinc/03/97/08/900039708.db2.gz WXRHZDNACQOHDU-VQIMIIECSA-N 1 3 393.318 3.646 20 0 GHADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)c1 ZINC000825503740 900202489 /nfs/dbraw/zinc/20/24/89/900202489.db2.gz GDSYFXVJDNHWLU-QHCPKHFHSA-N 1 3 399.579 3.573 20 0 GHADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)c1 ZINC000825503740 900202501 /nfs/dbraw/zinc/20/25/01/900202501.db2.gz GDSYFXVJDNHWLU-QHCPKHFHSA-N 1 3 399.579 3.573 20 0 GHADHO CC(C)[NH+]1CCC(CN(C)Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001143691641 900353492 /nfs/dbraw/zinc/35/34/92/900353492.db2.gz KJBIHQAJKWYGEP-UHFFFAOYSA-N 1 3 376.545 3.981 20 0 GHADHO Cc1ccc(Oc2cccc(C[NH+]3CCC(N4CCN(C)CC4)CC3)c2)cc1 ZINC001144091107 901055555 /nfs/dbraw/zinc/05/55/55/901055555.db2.gz WBSGKHGQDWJTQL-UHFFFAOYSA-N 1 3 379.548 3.999 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC000577297347 902658841 /nfs/dbraw/zinc/65/88/41/902658841.db2.gz DAPUFTIGGDKEAO-WMZHIEFXSA-N 1 3 377.532 3.675 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000600824080 902965960 /nfs/dbraw/zinc/96/59/60/902965960.db2.gz DONQWIGKSZQYNL-UHFFFAOYSA-N 1 3 396.535 3.545 20 0 GHADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000290438889 914682571 /nfs/dbraw/zinc/68/25/71/914682571.db2.gz VMONRIOJCINHQJ-RXVVDRJESA-N 1 3 384.495 3.568 20 0 GHADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000290438889 914682580 /nfs/dbraw/zinc/68/25/80/914682580.db2.gz VMONRIOJCINHQJ-RXVVDRJESA-N 1 3 384.495 3.568 20 0 GHADHO N[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749255 903153284 /nfs/dbraw/zinc/15/32/84/903153284.db2.gz VBSOMYWIEQHTET-ZLNRFVROSA-N 1 3 377.532 3.590 20 0 GHADHO N[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749255 903153289 /nfs/dbraw/zinc/15/32/89/903153289.db2.gz VBSOMYWIEQHTET-ZLNRFVROSA-N 1 3 377.532 3.590 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000132682430 903294859 /nfs/dbraw/zinc/29/48/59/903294859.db2.gz XJWCNZGLJQSOKO-GOSISDBHSA-N 1 3 396.531 3.655 20 0 GHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)cc1N(C)C ZINC000132770536 903306689 /nfs/dbraw/zinc/30/66/89/903306689.db2.gz PEIAZTHMJHTJNP-QGZVFWFLSA-N 1 3 385.527 3.699 20 0 GHADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000132798898 903310161 /nfs/dbraw/zinc/31/01/61/903310161.db2.gz JJURMSAATYFZGG-KBPBESRZSA-N 1 3 385.321 3.740 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CCN(C4CC4)C3)cc2)C1 ZINC000601242291 903502007 /nfs/dbraw/zinc/50/20/07/903502007.db2.gz LBIQLPVCABQLEO-SELNLUPBSA-N 1 3 398.595 3.543 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CCN(C4CC4)C3)cc2)C1 ZINC000601242291 903502012 /nfs/dbraw/zinc/50/20/12/903502012.db2.gz LBIQLPVCABQLEO-SELNLUPBSA-N 1 3 398.595 3.543 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000779047994 903535378 /nfs/dbraw/zinc/53/53/78/903535378.db2.gz HJCFQSZMALIIGR-RTWAWAEBSA-N 1 3 387.568 3.540 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)N(C)C)cc1 ZINC000646775418 914836909 /nfs/dbraw/zinc/83/69/09/914836909.db2.gz BKNZXQZNBVDLNY-DHIUTWEWSA-N 1 3 379.548 3.594 20 0 GHADHO Fc1cc2c(c(F)c1F)C[C@H](N1CCC(COCC[NH+]3CCCC3)CC1)CC2 ZINC001171534810 904761799 /nfs/dbraw/zinc/76/17/99/904761799.db2.gz ZGWHODCSNTTWLQ-GOSISDBHSA-N 1 3 396.497 3.786 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171636012 904924133 /nfs/dbraw/zinc/92/41/33/904924133.db2.gz CKVVMHOSKPXBSV-UHFFFAOYSA-N 1 3 379.589 3.971 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171636012 904924135 /nfs/dbraw/zinc/92/41/35/904924135.db2.gz CKVVMHOSKPXBSV-UHFFFAOYSA-N 1 3 379.589 3.971 20 0 GHADHO C[NH+]1C(C)(C)CC(N2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171636012 904924138 /nfs/dbraw/zinc/92/41/38/904924138.db2.gz CKVVMHOSKPXBSV-UHFFFAOYSA-N 1 3 379.589 3.971 20 0 GHADHO CN1C(C)(C)CC([NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)CC1(C)C ZINC001171638214 904927663 /nfs/dbraw/zinc/92/76/63/904927663.db2.gz WXTWULZPTBLMHA-UHFFFAOYSA-N 1 3 387.543 3.906 20 0 GHADHO CC[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821907 905038008 /nfs/dbraw/zinc/03/80/08/905038008.db2.gz IOTPNKLHYQMVOF-RMMWZPCPSA-N 1 3 379.589 3.827 20 0 GHADHO CC[C@@H]1C[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821907 905038021 /nfs/dbraw/zinc/03/80/21/905038021.db2.gz IOTPNKLHYQMVOF-RMMWZPCPSA-N 1 3 379.589 3.827 20 0 GHADHO CC1(C)C[C@H](N2CC[C@@]3(CCN3c3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171981893 905234008 /nfs/dbraw/zinc/23/40/08/905234008.db2.gz QVWVFFNEJWLAGM-ZJSXRUAMSA-N 1 3 391.563 3.574 20 0 GHADHO CC1(C)C[C@H](N2CC[C@@]3(CCN3c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981893 905234028 /nfs/dbraw/zinc/23/40/28/905234028.db2.gz QVWVFFNEJWLAGM-ZJSXRUAMSA-N 1 3 391.563 3.574 20 0 GHADHO CC1(C)C[C@H](NC[C@]2(O)CCOc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171981983 905235294 /nfs/dbraw/zinc/23/52/94/905235294.db2.gz FOHNYBMYDHSGOG-HYBUGGRVSA-N 1 3 380.532 3.690 20 0 GHADHO CC1(C)C[C@H](NC[C@]2(O)CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171981983 905235314 /nfs/dbraw/zinc/23/53/14/905235314.db2.gz FOHNYBMYDHSGOG-HYBUGGRVSA-N 1 3 380.532 3.690 20 0 GHADHO O=C(CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)NCc1ccccc1 ZINC001172072816 905278371 /nfs/dbraw/zinc/27/83/71/905278371.db2.gz NGMVFLOQXYVTSQ-JOZNFPNDSA-N 1 3 391.559 3.868 20 0 GHADHO O=C(CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccccc1 ZINC001172072816 905278388 /nfs/dbraw/zinc/27/83/88/905278388.db2.gz NGMVFLOQXYVTSQ-JOZNFPNDSA-N 1 3 391.559 3.868 20 0 GHADHO O=C1OCCCN1C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172089037 905308006 /nfs/dbraw/zinc/30/80/06/905308006.db2.gz PJFYENYWPCZFOV-JKHIJQBDSA-N 1 3 397.563 3.879 20 0 GHADHO O=C1OCCCN1C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172089037 905308015 /nfs/dbraw/zinc/30/80/15/905308015.db2.gz PJFYENYWPCZFOV-JKHIJQBDSA-N 1 3 397.563 3.879 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC001172061326 905322007 /nfs/dbraw/zinc/32/20/07/905322007.db2.gz GDGUUSUKWWEEBF-WBDAEOGXSA-N 1 3 377.532 3.592 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001172061326 905322023 /nfs/dbraw/zinc/32/20/23/905322023.db2.gz GDGUUSUKWWEEBF-WBDAEOGXSA-N 1 3 377.532 3.592 20 0 GHADHO CC(C)(C)C(=O)N1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065271 905332561 /nfs/dbraw/zinc/33/25/61/905332561.db2.gz JUHAEKNSWDXZKI-YUMYIRISSA-N 1 3 383.580 3.809 20 0 GHADHO CC(C)(C)C(=O)N1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065271 905332566 /nfs/dbraw/zinc/33/25/66/905332566.db2.gz JUHAEKNSWDXZKI-YUMYIRISSA-N 1 3 383.580 3.809 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3ccc(OC(F)(F)F)cc3)CC1)C2 ZINC001172123574 905384124 /nfs/dbraw/zinc/38/41/24/905384124.db2.gz DZUSZYLZTWQKQS-REPLKXPHSA-N 1 3 397.485 3.718 20 0 GHADHO COCc1cc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)ccc1F ZINC000177579475 906169473 /nfs/dbraw/zinc/16/94/73/906169473.db2.gz UAVPNYIYTVAVKK-UHFFFAOYSA-N 1 3 385.527 3.792 20 0 GHADHO COc1cccc2c1C[C@@H](N1CCC3(CC[N@H+](Cc4ccoc4)C3)CC1)CO2 ZINC001173163663 906249012 /nfs/dbraw/zinc/24/90/12/906249012.db2.gz RMVUPNHKBONQFJ-LJQANCHMSA-N 1 3 382.504 3.580 20 0 GHADHO COc1cccc2c1C[C@@H](N1CCC3(CC[N@@H+](Cc4ccoc4)C3)CC1)CO2 ZINC001173163663 906249028 /nfs/dbraw/zinc/24/90/28/906249028.db2.gz RMVUPNHKBONQFJ-LJQANCHMSA-N 1 3 382.504 3.580 20 0 GHADHO [NH3+]C1(CC2CCC2)CCN(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173415310 906443982 /nfs/dbraw/zinc/44/39/82/906443982.db2.gz XJJQSZHIIYLHSJ-UHFFFAOYSA-N 1 3 389.971 3.928 20 0 GHADHO N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@@H]1F ZINC001206200134 906468122 /nfs/dbraw/zinc/46/81/22/906468122.db2.gz QLWCKVLWPWBQTA-DLBZAZTESA-N 1 3 383.389 3.908 20 0 GHADHO N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@@H]1F ZINC001206200134 906468128 /nfs/dbraw/zinc/46/81/28/906468128.db2.gz QLWCKVLWPWBQTA-DLBZAZTESA-N 1 3 383.389 3.908 20 0 GHADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173768916 906687736 /nfs/dbraw/zinc/68/77/36/906687736.db2.gz HTZCKUIDXDYZOZ-INIZCTEOSA-N 1 3 395.950 3.938 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000182249309 907169946 /nfs/dbraw/zinc/16/99/46/907169946.db2.gz ZDCQJIJGVHHALM-XMSQKQJNSA-N 1 3 396.531 3.655 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000182249309 907169956 /nfs/dbraw/zinc/16/99/56/907169956.db2.gz ZDCQJIJGVHHALM-XMSQKQJNSA-N 1 3 396.531 3.655 20 0 GHADHO Cc1cncc([C@H](C)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000184340789 907566989 /nfs/dbraw/zinc/56/69/89/907566989.db2.gz QJYVMYKZBYMQPQ-IBGZPJMESA-N 1 3 383.536 3.730 20 0 GHADHO Cc1cncc([C@H](C)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000184340789 907566995 /nfs/dbraw/zinc/56/69/95/907566995.db2.gz QJYVMYKZBYMQPQ-IBGZPJMESA-N 1 3 383.536 3.730 20 0 GHADHO [NH3+]Cc1ccc(Nc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)cc1 ZINC001175968169 907843067 /nfs/dbraw/zinc/84/30/67/907843067.db2.gz FLAVKIDHRADCNE-UHFFFAOYSA-N 1 3 392.547 3.979 20 0 GHADHO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000633379385 908297796 /nfs/dbraw/zinc/29/77/96/908297796.db2.gz UZLNBGYTBQPMGO-UHFFFAOYSA-N 1 3 381.520 3.995 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](CN1CC[C@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002913 908358579 /nfs/dbraw/zinc/35/85/79/908358579.db2.gz PBDDXVGZISVHMQ-VWNXMTODSA-N 1 3 378.516 3.541 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002913 908358590 /nfs/dbraw/zinc/35/85/90/908358590.db2.gz PBDDXVGZISVHMQ-VWNXMTODSA-N 1 3 378.516 3.541 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cc(C)ccc2OC)CC1 ZINC001177136616 908420705 /nfs/dbraw/zinc/42/07/05/908420705.db2.gz SWWNJNFCCDFXPC-UHFFFAOYSA-N 1 3 381.564 3.868 20 0 GHADHO Cc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1Br ZINC001177319119 908524014 /nfs/dbraw/zinc/52/40/14/908524014.db2.gz WNMMWTQXFGNJGP-UHFFFAOYSA-N 1 3 377.326 3.988 20 0 GHADHO C[C@@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC001177416786 908570766 /nfs/dbraw/zinc/57/07/66/908570766.db2.gz WKJYHYJSLSZZDC-LSDHHAIUSA-N 1 3 381.483 3.544 20 0 GHADHO C[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CN1CCCCC1 ZINC001177416786 908570770 /nfs/dbraw/zinc/57/07/70/908570770.db2.gz WKJYHYJSLSZZDC-LSDHHAIUSA-N 1 3 381.483 3.544 20 0 GHADHO COc1cc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)ccc1C ZINC000194287464 908933921 /nfs/dbraw/zinc/93/39/21/908933921.db2.gz XFHLAIFTCZXIEQ-UHFFFAOYSA-N 1 3 398.547 3.783 20 0 GHADHO COc1cc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)ccc1C ZINC000194287464 908933929 /nfs/dbraw/zinc/93/39/29/908933929.db2.gz XFHLAIFTCZXIEQ-UHFFFAOYSA-N 1 3 398.547 3.783 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CCN(Cc2ccccc2)C1 ZINC001180194543 910030479 /nfs/dbraw/zinc/03/04/79/910030479.db2.gz GNVRLMXHNKKKSX-PXDATVDWSA-N 1 3 397.607 3.915 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CCN(Cc2ccccc2)C1 ZINC001180194543 910030490 /nfs/dbraw/zinc/03/04/90/910030490.db2.gz GNVRLMXHNKKKSX-PXDATVDWSA-N 1 3 397.607 3.915 20 0 GHADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000269035356 910113682 /nfs/dbraw/zinc/11/36/82/910113682.db2.gz TZZCMIYCTKMIKH-CVEARBPZSA-N 1 3 386.458 3.779 20 0 GHADHO CC(=O)NCc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639304573 910380288 /nfs/dbraw/zinc/38/02/88/910380288.db2.gz WZIWVPRRTNWAIH-UPVQGACJSA-N 1 3 377.532 3.780 20 0 GHADHO CC(=O)NCc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639304573 910380303 /nfs/dbraw/zinc/38/03/03/910380303.db2.gz WZIWVPRRTNWAIH-UPVQGACJSA-N 1 3 377.532 3.780 20 0 GHADHO C[C@@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000270058369 910422770 /nfs/dbraw/zinc/42/27/70/910422770.db2.gz FXYDWKXNIVNKQA-KWMCUTETSA-N 1 3 399.604 3.805 20 0 GHADHO COCCc1nc(C)c([C@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000271353404 910873127 /nfs/dbraw/zinc/87/31/27/910873127.db2.gz NZZONWXJXVIELZ-INIZCTEOSA-N 1 3 391.581 3.822 20 0 GHADHO CCOc1ccc(Cl)cc1CN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC001182442592 911674025 /nfs/dbraw/zinc/67/40/25/911674025.db2.gz GMIUFTAVQVXOFP-UHFFFAOYSA-N 1 3 379.976 3.731 20 0 GHADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000284357609 911838577 /nfs/dbraw/zinc/83/85/77/911838577.db2.gz MVNLNTMNPKNHCJ-QGZVFWFLSA-N 1 3 381.520 3.969 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000248398406 912054786 /nfs/dbraw/zinc/05/47/86/912054786.db2.gz IWOQUABQHVTPOL-OTWHNJEPSA-N 1 3 379.589 3.876 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000647343943 915165589 /nfs/dbraw/zinc/16/55/89/915165589.db2.gz GCNUQYQQCRDDRM-CDXJDZJCSA-N 1 3 395.938 3.917 20 0 GHADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001187293428 915168942 /nfs/dbraw/zinc/16/89/42/915168942.db2.gz HTQBHFCEDLYQFG-CVDCTZTESA-N 1 3 379.548 3.731 20 0 GHADHO [NH3+]Cc1ccc(CN[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)cc1 ZINC000647803335 915391066 /nfs/dbraw/zinc/39/10/66/915391066.db2.gz VHAVUDAHZHYJAK-RBUKOAKNSA-N 1 3 375.310 3.918 20 0 GHADHO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000650046629 916673038 /nfs/dbraw/zinc/67/30/38/916673038.db2.gz KAUOZRBRJMIHOI-GVDBMIGSSA-N 1 3 384.442 3.644 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)CCC(=O)N2C ZINC000775309835 916897146 /nfs/dbraw/zinc/89/71/46/916897146.db2.gz GIYWADXYMABCEJ-PGRDOPGGSA-N 1 3 377.532 3.596 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)CCC(=O)N2C ZINC000775309835 916897157 /nfs/dbraw/zinc/89/71/57/916897157.db2.gz GIYWADXYMABCEJ-PGRDOPGGSA-N 1 3 377.532 3.596 20 0 GHADHO CCCN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CCN(C)C1 ZINC000650414240 916958181 /nfs/dbraw/zinc/95/81/81/916958181.db2.gz SCTZIIWIKCTAGI-IBGZPJMESA-N 1 3 390.597 3.823 20 0 GHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)ccc1OC ZINC000775393593 917382763 /nfs/dbraw/zinc/38/27/63/917382763.db2.gz HLGNMIITJNMZJB-CUWPLCDZSA-N 1 3 389.584 3.835 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cc1CN1CCCCC1 ZINC000775402084 917456243 /nfs/dbraw/zinc/45/62/43/917456243.db2.gz YSBOPBQWDZRICJ-MOPGFXCFSA-N 1 3 386.536 3.776 20 0 GHADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Oc2ccccc2)cn1 ZINC000651228254 917533513 /nfs/dbraw/zinc/53/35/13/917533513.db2.gz DRVDWWSRXFSHHO-MOPGFXCFSA-N 1 3 380.536 3.693 20 0 GHADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1OC ZINC000775413172 917565249 /nfs/dbraw/zinc/56/52/49/917565249.db2.gz YDNKUXYHKWTLNK-VQIMIIECSA-N 1 3 375.557 3.587 20 0 GHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000652361913 917883104 /nfs/dbraw/zinc/88/31/04/917883104.db2.gz SJMFHFVPBIGEJJ-AHRSYUTCSA-N 1 3 375.900 3.856 20 0 GHADHO COC[C@]1(C)CCN(Cc2cc(C[N@@H+]3CC[C@](C)(COC)C3)ccc2F)C1 ZINC000296803588 918767450 /nfs/dbraw/zinc/76/74/50/918767450.db2.gz RBUHXXDSLPRXHX-FCHUYYIVSA-N 1 3 378.532 3.543 20 0 GHADHO COC[C@]1(C)CCN(Cc2cc(C[N@H+]3CC[C@](C)(COC)C3)ccc2F)C1 ZINC000296803588 918767550 /nfs/dbraw/zinc/76/75/50/918767550.db2.gz RBUHXXDSLPRXHX-FCHUYYIVSA-N 1 3 378.532 3.543 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccccc4C)C3)CC2)CC1 ZINC000654680720 919290906 /nfs/dbraw/zinc/29/09/06/919290906.db2.gz COIMRZOZGIMBTQ-NRFANRHFSA-N 1 3 383.580 3.507 20 0 GHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000902503261 922242986 /nfs/dbraw/zinc/24/29/86/922242986.db2.gz HWEQGTUEOUZEQA-SNYIIPAISA-N 1 3 393.531 3.866 20 0 GHADHO c1ccc(CC[C@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)c2cccnc2)cc1 ZINC000902803785 922505372 /nfs/dbraw/zinc/50/53/72/922505372.db2.gz ZBEGEHJXPTWNAD-RPWUZVMVSA-N 1 3 379.548 3.989 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000369941808 923757862 /nfs/dbraw/zinc/75/78/62/923757862.db2.gz JPKDPSVZFPLBCT-QHCPKHFHSA-N 1 3 392.547 3.560 20 0 GHADHO C[NH+](C)CC1CCC(NCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000677246531 924299104 /nfs/dbraw/zinc/29/91/04/924299104.db2.gz RPRVAEFSFFBDLO-UHFFFAOYSA-N 1 3 382.339 3.784 20 0 GHADHO C[NH+](C)CCOc1ccc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000678225300 924674567 /nfs/dbraw/zinc/67/45/67/924674567.db2.gz CDOCPUSSZILENL-UHFFFAOYSA-N 1 3 399.510 3.617 20 0 GHADHO C[C@H]1CN(Cc2ccc(N(C)c3ccccc3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000678285997 924707532 /nfs/dbraw/zinc/70/75/32/924707532.db2.gz SMAUPDNLRMJABG-SQJMNOBHSA-N 1 3 392.591 3.912 20 0 GHADHO COc1ccc([C@H](N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccc(F)cc2)cc1 ZINC000679339326 925100410 /nfs/dbraw/zinc/10/04/10/925100410.db2.gz HIRXMEGUBQDGBF-ZJSXRUAMSA-N 1 3 397.538 3.682 20 0 GHADHO C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000827950883 926374863 /nfs/dbraw/zinc/37/48/63/926374863.db2.gz UNEQMEPEHVQALR-YZGWKJHDSA-N 1 3 379.589 3.734 20 0 GHADHO COc1ccc(NC(=O)CCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000411512032 926470355 /nfs/dbraw/zinc/47/03/55/926470355.db2.gz ADNJCTSKZLCDPL-JKSUJKDBSA-N 1 3 393.959 3.920 20 0 GHADHO COc1ccc(NC(=O)CCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000411512032 926470358 /nfs/dbraw/zinc/47/03/58/926470358.db2.gz ADNJCTSKZLCDPL-JKSUJKDBSA-N 1 3 393.959 3.920 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751082430 928019853 /nfs/dbraw/zinc/01/98/53/928019853.db2.gz QRUXIWYPEGMHTQ-XXDDBKGRSA-N 1 3 398.595 3.918 20 0 GHADHO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000753534848 929395116 /nfs/dbraw/zinc/39/51/16/929395116.db2.gz GDAUUELMIDRGMA-FXAWDEMLSA-N 1 3 399.539 3.843 20 0 GHADHO Cc1ccnc(C2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)n1 ZINC000757928650 929858352 /nfs/dbraw/zinc/85/83/52/929858352.db2.gz UNDYKVSORUUGPS-UHFFFAOYSA-N 1 3 380.536 3.639 20 0 GHADHO O=C(NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000469874164 930227011 /nfs/dbraw/zinc/22/70/11/930227011.db2.gz VGNRVHAIRLYYQG-MBSDFSHPSA-N 1 3 395.522 3.573 20 0 GHADHO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000547509029 931081638 /nfs/dbraw/zinc/08/16/38/931081638.db2.gz RYMHIGABPMNQKP-AVRDEDQJSA-N 1 3 381.520 3.524 20 0 GHADHO C[NH+](C)CCc1ccccc1NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000782212593 931123549 /nfs/dbraw/zinc/12/35/49/931123549.db2.gz TUHZGZAROLLHLW-UHFFFAOYSA-N 1 3 396.604 3.742 20 0 GHADHO C[N@@H+]1CCCN(CCCN[C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924965241 931597314 /nfs/dbraw/zinc/59/73/14/931597314.db2.gz HYPJZCPPNPXVPN-QHCPKHFHSA-N 1 3 378.520 3.534 20 0 GHADHO C[N@H+]1CCCN(CCCN[C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924965241 931597319 /nfs/dbraw/zinc/59/73/19/931597319.db2.gz HYPJZCPPNPXVPN-QHCPKHFHSA-N 1 3 378.520 3.534 20 0 GHADHO C[C@@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925041248 931622280 /nfs/dbraw/zinc/62/22/80/931622280.db2.gz JMDJESLTNJRCFM-OCCSQVGLSA-N 1 3 390.881 3.573 20 0 GHADHO C[C@@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925041248 931622282 /nfs/dbraw/zinc/62/22/82/931622282.db2.gz JMDJESLTNJRCFM-OCCSQVGLSA-N 1 3 390.881 3.573 20 0 GHADHO C[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cn2c(n1)CCCC2 ZINC000925222112 931707947 /nfs/dbraw/zinc/70/79/47/931707947.db2.gz NXSCJTSOTHGSMI-FQEVSTJZSA-N 1 3 396.579 3.941 20 0 GHADHO COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C[C@H](O)C[NH+]2CCCC2)c1 ZINC000784318856 931853918 /nfs/dbraw/zinc/85/39/18/931853918.db2.gz ANPRFRMSNCNCBX-GMKZXUHWSA-N 1 3 380.532 3.683 20 0 GHADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000925857215 931923934 /nfs/dbraw/zinc/92/39/34/931923934.db2.gz UNNWLMUMZIIANB-APWZRJJASA-N 1 3 398.478 3.954 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1)CC(C)C ZINC000558422232 931995417 /nfs/dbraw/zinc/99/54/17/931995417.db2.gz AILRLCMTSYDHSC-UHFFFAOYSA-N 1 3 378.557 3.989 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1)CC(C)C ZINC000558422232 931995420 /nfs/dbraw/zinc/99/54/20/931995420.db2.gz AILRLCMTSYDHSC-UHFFFAOYSA-N 1 3 378.557 3.989 20 0 GHADHO C[C@H]([NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000926118896 932055365 /nfs/dbraw/zinc/05/53/65/932055365.db2.gz DDJIUDJUAZBMPR-WJFTUGDTSA-N 1 3 379.589 3.922 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000797021911 932149720 /nfs/dbraw/zinc/14/97/20/932149720.db2.gz MAXVWNFYMZFBGD-JOCHJYFZSA-N 1 3 399.579 3.985 20 0 GHADHO CCN(C(=O)CN1CCCC2(CC[NH+](C)CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000799178483 932900233 /nfs/dbraw/zinc/90/02/33/932900233.db2.gz WKCSYCMIWSOBKO-GOSISDBHSA-N 1 3 375.532 3.543 20 0 GHADHO CC(C)[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000561126372 933891106 /nfs/dbraw/zinc/89/11/06/933891106.db2.gz ZSNSMTPDAIOHJO-HXUWFJFHSA-N 1 3 397.485 3.735 20 0 GHADHO Cc1nn(C)c(Cl)c1CN1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001137746746 935766368 /nfs/dbraw/zinc/76/63/68/935766368.db2.gz RZCGUOZGQMBSOD-GOSISDBHSA-N 1 3 376.932 3.852 20 0 GHADHO Cc1nn(C)c(Cl)c1CN1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001137746746 935766369 /nfs/dbraw/zinc/76/63/69/935766369.db2.gz RZCGUOZGQMBSOD-GOSISDBHSA-N 1 3 376.932 3.852 20 0 GHADHO c1ccc([C@H]2CCN(Cc3cncc(C[N@@H+]4CC[C@H](c5ccccn5)C4)c3)C2)nc1 ZINC000829448755 935810571 /nfs/dbraw/zinc/81/05/71/935810571.db2.gz DENLNXJRPMCMLR-GOTSBHOMSA-N 1 3 399.542 3.851 20 0 GHADHO c1ccc([C@H]2CCN(Cc3cncc(C[N@H+]4CC[C@H](c5ccccn5)C4)c3)C2)nc1 ZINC000829448755 935810573 /nfs/dbraw/zinc/81/05/73/935810573.db2.gz DENLNXJRPMCMLR-GOTSBHOMSA-N 1 3 399.542 3.851 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001220704155 1032073828 /nfs/dbraw/zinc/07/38/28/1032073828.db2.gz IKRXXZYCBJGUPL-RBBKRZOGSA-N 1 3 386.584 3.523 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001220704155 1032073845 /nfs/dbraw/zinc/07/38/45/1032073845.db2.gz IKRXXZYCBJGUPL-RBBKRZOGSA-N 1 3 386.584 3.523 20 0 GHADHO CN(C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCCN(C)C1 ZINC001625850239 1014227690 /nfs/dbraw/zinc/22/76/90/1014227690.db2.gz AIJWBZOHNJTXRC-LJQANCHMSA-N 1 3 390.597 3.823 20 0 GHADHO CN(Cc1cc(I)ccc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223488 1041629535 /nfs/dbraw/zinc/62/95/35/1041629535.db2.gz NXHPCYVDHICCQW-JOCQHMNTSA-N 1 3 378.685 3.646 20 0 GHADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001221010941 1032234963 /nfs/dbraw/zinc/23/49/63/1032234963.db2.gz UZOXYIWLMJNOQQ-URXFXBBRSA-N 1 3 397.538 3.503 20 0 GHADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001221010941 1032234977 /nfs/dbraw/zinc/23/49/77/1032234977.db2.gz UZOXYIWLMJNOQQ-URXFXBBRSA-N 1 3 397.538 3.503 20 0 GHADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001221010940 1032235406 /nfs/dbraw/zinc/23/54/06/1032235406.db2.gz UZOXYIWLMJNOQQ-QPPBQGQZSA-N 1 3 397.538 3.503 20 0 GHADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001221010940 1032235418 /nfs/dbraw/zinc/23/54/18/1032235418.db2.gz UZOXYIWLMJNOQQ-QPPBQGQZSA-N 1 3 397.538 3.503 20 0 GHADHO Cc1ccc(C[C@H](N)C(=O)N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)c(C)c1 ZINC001221201798 1032328454 /nfs/dbraw/zinc/32/84/54/1032328454.db2.gz LVEDSHMUXMNQLC-GOTSBHOMSA-N 1 3 397.538 3.560 20 0 GHADHO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001221394723 1032394798 /nfs/dbraw/zinc/39/47/98/1032394798.db2.gz FSZLHTKQOIKXQS-VXNXHJTFSA-N 1 3 393.575 3.993 20 0 GHADHO Cc1ccc2c(c1)[C@@H](Nc1cc(Cl)nc3c1CCNC3)CC21CC[NH2+]CC1 ZINC001155444784 1032545396 /nfs/dbraw/zinc/54/53/96/1032545396.db2.gz WNUXJQQCZXYBFG-IBGZPJMESA-N 1 3 382.939 3.867 20 0 GHADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000558127566 1017121657 /nfs/dbraw/zinc/12/16/57/1017121657.db2.gz SKOIBIGTSFJHAF-GOSISDBHSA-N 1 3 385.518 3.984 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000558127566 1017121661 /nfs/dbraw/zinc/12/16/61/1017121661.db2.gz SKOIBIGTSFJHAF-GOSISDBHSA-N 1 3 385.518 3.984 20 0 GHADHO COc1ccc(C[C@@H]([NH2+]C[C@@H]2CNCCC2(F)F)c2ccc(OC)cc2)cc1 ZINC000925786142 1017148192 /nfs/dbraw/zinc/14/81/92/1017148192.db2.gz VZTPCHRKTOEJPC-GHTZIAJQSA-N 1 3 390.474 3.822 20 0 GHADHO Cc1ccc(C2(O)CCN(Cc3ccc(OCCC[NH+](C)C)cc3)CC2)cc1 ZINC001204266972 1032708432 /nfs/dbraw/zinc/70/84/32/1032708432.db2.gz OCWUHWAADDTKOC-UHFFFAOYSA-N 1 3 382.548 3.809 20 0 GHADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000571825502 1019714348 /nfs/dbraw/zinc/71/43/48/1019714348.db2.gz RPOSXROKBSBMOG-YPIGPJMWSA-N 1 3 398.591 3.708 20 0 GHADHO CCOc1cc(CNCc2ccc(C[NH3+])cc2)cc(Br)c1OC ZINC000577492360 1020210947 /nfs/dbraw/zinc/21/09/47/1020210947.db2.gz IUKUPPRUKYHLIF-UHFFFAOYSA-N 1 3 379.298 3.605 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204489426 1032923268 /nfs/dbraw/zinc/92/32/68/1032923268.db2.gz KFZKXRPMGQLFGI-FQEVSTJZSA-N 1 3 398.572 3.939 20 0 GHADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000647814486 1021150509 /nfs/dbraw/zinc/15/05/09/1021150509.db2.gz PZYDMJPXMDAERQ-QFIPXVFZSA-N 1 3 383.561 3.560 20 0 GHADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)N[C@H](c1cccs1)c1ccccc1 ZINC000647814486 1021150513 /nfs/dbraw/zinc/15/05/13/1021150513.db2.gz PZYDMJPXMDAERQ-QFIPXVFZSA-N 1 3 383.561 3.560 20 0 GHADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)N[C@H](c1cccs1)c1ccccc1 ZINC000647814486 1021150517 /nfs/dbraw/zinc/15/05/17/1021150517.db2.gz PZYDMJPXMDAERQ-QFIPXVFZSA-N 1 3 383.561 3.560 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001228557951 1032986565 /nfs/dbraw/zinc/98/65/65/1032986565.db2.gz TUUPAMJKJTWBSL-LIRRHRJNSA-N 1 3 398.954 3.501 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001228557951 1032986569 /nfs/dbraw/zinc/98/65/69/1032986569.db2.gz TUUPAMJKJTWBSL-LIRRHRJNSA-N 1 3 398.954 3.501 20 0 GHADHO c1csc([C@@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455019 1021602289 /nfs/dbraw/zinc/60/22/89/1021602289.db2.gz HBZFRXMDJGFMAK-QEUVDIPISA-N 1 3 393.560 3.846 20 0 GHADHO c1csc([C@@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455019 1021602298 /nfs/dbraw/zinc/60/22/98/1021602298.db2.gz HBZFRXMDJGFMAK-QEUVDIPISA-N 1 3 393.560 3.846 20 0 GHADHO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903906667 1021651686 /nfs/dbraw/zinc/65/16/86/1021651686.db2.gz XSUZPWNHEJYMHC-MQVJKMGUSA-N 1 3 383.458 3.885 20 0 GHADHO COc1ccc([C@H]2CCCN2Cc2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000678131114 1021906699 /nfs/dbraw/zinc/90/66/99/1021906699.db2.gz HYQDZDRZNSPSJR-OAQYLSRUSA-N 1 3 384.520 3.981 20 0 GHADHO COC(=O)Cc1ccccc1CN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001140654660 1022172664 /nfs/dbraw/zinc/17/26/64/1022172664.db2.gz UTWDUWCZCIZXFE-XJTUCQONSA-N 1 3 394.559 3.797 20 0 GHADHO COC(=O)Cc1ccccc1CN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001140654660 1022172680 /nfs/dbraw/zinc/17/26/80/1022172680.db2.gz UTWDUWCZCIZXFE-XJTUCQONSA-N 1 3 394.559 3.797 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ncccc2[O-])CC3)c1 ZINC001138392820 1024771337 /nfs/dbraw/zinc/77/13/37/1024771337.db2.gz NDDKJFXDDZLSBK-UHFFFAOYSA-N 1 3 381.520 3.674 20 0 GHADHO c1nn(-c2ccccc2)cc1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001138601386 1025084314 /nfs/dbraw/zinc/08/43/14/1025084314.db2.gz SZIRCHJITHBLRP-UHFFFAOYSA-N 1 3 387.531 3.755 20 0 GHADHO c1nn(-c2ccccc2)cc1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001138601386 1025084334 /nfs/dbraw/zinc/08/43/34/1025084334.db2.gz SZIRCHJITHBLRP-UHFFFAOYSA-N 1 3 387.531 3.755 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc3[nH]ccc3c1)CC2 ZINC001138743803 1025284329 /nfs/dbraw/zinc/28/43/29/1025284329.db2.gz IFANCEIXLJBAPE-IBGZPJMESA-N 1 3 396.560 3.880 20 0 GHADHO C[C@@H](C(=O)NCCNC(c1ccccc1)c1ccccc1)[NH+]1[C@H](C)CC[C@H]1C ZINC001161896643 1025480958 /nfs/dbraw/zinc/48/09/58/1025480958.db2.gz PGMIZAJJUHWHNA-AQNXPRMDSA-N 1 3 379.548 3.743 20 0 GHADHO CN1CCN(c2cccc(N[C@H](CC3CC[NH2+]CC3)c3ccccc3F)n2)CC1 ZINC001162235439 1025684419 /nfs/dbraw/zinc/68/44/19/1025684419.db2.gz FWIVXUCBADEHOG-OAQYLSRUSA-N 1 3 397.542 3.515 20 0 GHADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(-c4ccccc4)s3)CC[C@@H]2C1 ZINC001139412452 1026285983 /nfs/dbraw/zinc/28/59/83/1026285983.db2.gz INWJWSJCEBUDEB-TZIWHRDSSA-N 1 3 386.561 3.584 20 0 GHADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(-c4ccccc4)s3)CC[C@@H]2C1 ZINC001139412452 1026285993 /nfs/dbraw/zinc/28/59/93/1026285993.db2.gz INWJWSJCEBUDEB-TZIWHRDSSA-N 1 3 386.561 3.584 20 0 GHADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccccc1-n1cncn1)CC2 ZINC001139419424 1026290657 /nfs/dbraw/zinc/29/06/57/1026290657.db2.gz KDDIDXNWIWYTHZ-QFIPXVFZSA-N 1 3 391.519 3.737 20 0 GHADHO Clc1cccc(CC2CCN(Cc3ccc(N4CC[NH2+]CC4)nc3)CC2)c1 ZINC001206711816 1026945736 /nfs/dbraw/zinc/94/57/36/1026945736.db2.gz OWSKEEUTBPKHSK-UHFFFAOYSA-N 1 3 384.955 3.599 20 0 GHADHO CC1(C)CN(C[C@@H](O)c2ccc(F)cn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000834382281 1026962488 /nfs/dbraw/zinc/96/24/88/1026962488.db2.gz IZKDHMALGQHMSY-PKTZIBPZSA-N 1 3 397.538 3.877 20 0 GHADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccccc1OC)CC2 ZINC001203428528 1027331029 /nfs/dbraw/zinc/33/10/29/1027331029.db2.gz RVKJBSKGUIYUNX-QFIPXVFZSA-N 1 3 395.547 3.593 20 0 GHADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccccc1OC)CC2 ZINC001203428528 1027331045 /nfs/dbraw/zinc/33/10/45/1027331045.db2.gz RVKJBSKGUIYUNX-QFIPXVFZSA-N 1 3 395.547 3.593 20 0 GHADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(-n3cncn3)c(F)c2)[C@@H]1c1cccs1 ZINC001461234771 1069455450 /nfs/dbraw/zinc/45/54/50/1069455450.db2.gz WXCOVJPCXGWQCH-OXJNMPFZSA-N 1 3 385.512 3.641 20 0 GHADHO C[N@H+]1CCC[C@@H](CNCc2ccc(-n3cncn3)c(F)c2)[C@@H]1c1cccs1 ZINC001461234771 1069455454 /nfs/dbraw/zinc/45/54/54/1069455454.db2.gz WXCOVJPCXGWQCH-OXJNMPFZSA-N 1 3 385.512 3.641 20 0 GHADHO COc1ccc(Oc2cccc(CN3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2)cc1 ZINC001203817117 1027629175 /nfs/dbraw/zinc/62/91/75/1027629175.db2.gz GGGWQPWZCHUCEW-BJKOFHAPSA-N 1 3 395.547 3.698 20 0 GHADHO COc1ccc(Oc2cccc(CN3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2)cc1 ZINC001203817117 1027629185 /nfs/dbraw/zinc/62/91/85/1027629185.db2.gz GGGWQPWZCHUCEW-BJKOFHAPSA-N 1 3 395.547 3.698 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC001461525455 1069591135 /nfs/dbraw/zinc/59/11/35/1069591135.db2.gz XJAVMFJYGAVBST-FYYLOGMGSA-N 1 3 375.601 3.597 20 0 GHADHO COc1cc(OC)cc([C@@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684159 1029490124 /nfs/dbraw/zinc/49/01/24/1029490124.db2.gz XZCRFXIIQYLUMG-OFNKIYASSA-N 1 3 396.531 3.524 20 0 GHADHO COc1cc(OC)cc([C@@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684159 1029490133 /nfs/dbraw/zinc/49/01/33/1029490133.db2.gz XZCRFXIIQYLUMG-OFNKIYASSA-N 1 3 396.531 3.524 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000842920745 1029684980 /nfs/dbraw/zinc/68/49/80/1029684980.db2.gz LDVGUMSAKYRURT-ZNLUXHQJSA-N 1 3 379.504 3.639 20 0 GHADHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000842920745 1029684988 /nfs/dbraw/zinc/68/49/88/1029684988.db2.gz LDVGUMSAKYRURT-ZNLUXHQJSA-N 1 3 379.504 3.639 20 0 GHADHO FC(F)(F)Oc1ccc(Br)cc1CN1CCC2(C[NH2+]C2)CC1 ZINC001222203056 1030000313 /nfs/dbraw/zinc/00/03/13/1030000313.db2.gz GINZISLBBQTJSO-UHFFFAOYSA-N 1 3 379.220 3.533 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001150152572 1030430166 /nfs/dbraw/zinc/43/01/66/1030430166.db2.gz AZMHTLXXOBILIW-HUVFLSCGSA-N 1 3 391.559 3.535 20 0 GHADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150152572 1030430169 /nfs/dbraw/zinc/43/01/69/1030430169.db2.gz AZMHTLXXOBILIW-HUVFLSCGSA-N 1 3 391.559 3.535 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H]6C[NH2+]C[C@H]6C)cc54)O[C@H](CN3C1)C2 ZINC001217968223 1030696098 /nfs/dbraw/zinc/69/60/98/1030696098.db2.gz POWSDJAIJANPSH-CKROJKJASA-N 1 3 393.531 3.536 20 0 GHADHO CCCC[NH+](CCCC)CCCOC(=O)c1ccc(NC(=O)C2(N)CC2)cc1 ZINC001218921082 1031153543 /nfs/dbraw/zinc/15/35/43/1031153543.db2.gz GASPEXWZWNVFKR-UHFFFAOYSA-N 1 3 389.540 3.566 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001153638970 1031684623 /nfs/dbraw/zinc/68/46/23/1031684623.db2.gz ZBLYVUDFUJHSBQ-LAUBAEHRSA-N 1 3 376.504 3.541 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001153638970 1031684634 /nfs/dbraw/zinc/68/46/34/1031684634.db2.gz ZBLYVUDFUJHSBQ-LAUBAEHRSA-N 1 3 376.504 3.541 20 0 GHADHO COc1cc2cccnc2c(N(C(=O)[C@@H](N)C2CCCCC2)[C@H](C)CCC[NH3+])c1 ZINC001220033717 1031750773 /nfs/dbraw/zinc/75/07/73/1031750773.db2.gz PRFRIHHRCZUDEH-IERDGZPVSA-N 1 3 398.551 3.611 20 0 GHADHO CC1CCC(N2CCN(C(=O)NCCCCCCC[NH+]3CCCC3)CC2)CC1 ZINC001229411686 1033466683 /nfs/dbraw/zinc/46/66/83/1033466683.db2.gz NAQIHFLTHGKIAL-UHFFFAOYSA-N 1 3 392.632 3.939 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN1CCC[C@@](C)(C[NH3+])CC1 ZINC001206317612 1033793119 /nfs/dbraw/zinc/79/31/19/1033793119.db2.gz ICJHJTDPSVLQFP-HXUWFJFHSA-N 1 3 377.916 3.949 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC1 ZINC001206560526 1033908559 /nfs/dbraw/zinc/90/85/59/1033908559.db2.gz RJKMEEHSZYCPIA-UHFFFAOYSA-N 1 3 381.520 3.997 20 0 GHADHO CC(C)N(Cc1ccc(F)c(I)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206590992 1033917872 /nfs/dbraw/zinc/91/78/72/1033917872.db2.gz OTBLRKIYDGFJAP-CQSZACIVSA-N 1 3 390.284 3.783 20 0 GHADHO COc1ccc(CN(c2ccc(CN(C)C3CC3)cn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158157577 1033942704 /nfs/dbraw/zinc/94/27/04/1033942704.db2.gz AYABYDDNLWFEFM-AQYVVDRMSA-N 1 3 394.563 3.961 20 0 GHADHO CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC001207134487 1034118153 /nfs/dbraw/zinc/11/81/53/1034118153.db2.gz AFNSMKKTTJEJJX-LJQANCHMSA-N 1 3 379.589 3.876 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001207193269 1034162821 /nfs/dbraw/zinc/16/28/21/1034162821.db2.gz JLMZIPNBDWTCHW-FQEVSTJZSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001207193269 1034162830 /nfs/dbraw/zinc/16/28/30/1034162830.db2.gz JLMZIPNBDWTCHW-FQEVSTJZSA-N 1 3 379.589 3.974 20 0 GHADHO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001230895006 1034277043 /nfs/dbraw/zinc/27/70/43/1034277043.db2.gz FBPYTGOMKKKQEI-NRFANRHFSA-N 1 3 394.563 3.538 20 0 GHADHO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001230895006 1034277061 /nfs/dbraw/zinc/27/70/61/1034277061.db2.gz FBPYTGOMKKKQEI-NRFANRHFSA-N 1 3 394.563 3.538 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nncc4ccc(F)cc43)c3ccccc23)CC1 ZINC001159460738 1034605798 /nfs/dbraw/zinc/60/57/98/1034605798.db2.gz MLYUVKOZINFKNK-UHFFFAOYSA-N 1 3 389.478 3.678 20 0 GHADHO COc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ccc1Cl ZINC001159467861 1034609683 /nfs/dbraw/zinc/60/96/83/1034609683.db2.gz SQEQWTCXFUHBRW-UHFFFAOYSA-N 1 3 384.911 3.653 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC001207858337 1034626575 /nfs/dbraw/zinc/62/65/75/1034626575.db2.gz LSRWIBJTPAEVPN-HUUCEWRRSA-N 1 3 384.362 3.876 20 0 GHADHO Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001208153290 1034756358 /nfs/dbraw/zinc/75/63/58/1034756358.db2.gz FAHCTSMPDNZILS-QTGUNEKASA-N 1 3 383.536 3.700 20 0 GHADHO Cc1ccc([C@@H](C)CC[N@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001208153290 1034756373 /nfs/dbraw/zinc/75/63/73/1034756373.db2.gz FAHCTSMPDNZILS-QTGUNEKASA-N 1 3 383.536 3.700 20 0 GHADHO CC(C)Oc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1Cl ZINC001231713990 1034855759 /nfs/dbraw/zinc/85/57/59/1034855759.db2.gz MXOPWCGJAYBERG-UHFFFAOYSA-N 1 3 379.976 3.587 20 0 GHADHO CCN1CCN(c2ccc(Nc3cccc(F)c3OC3CC[NH2+]CC3)cc2)CC1 ZINC001160174180 1034888730 /nfs/dbraw/zinc/88/87/30/1034888730.db2.gz UBOBQDKECDHSHX-UHFFFAOYSA-N 1 3 398.526 3.842 20 0 GHADHO CN1CCN(Cc2ccc(Nc3ccc(C[C@H]4CCC[NH2+]C4)cc3)cc2)CC1 ZINC001160266146 1034922858 /nfs/dbraw/zinc/92/28/58/1034922858.db2.gz RTQCNZBBMVXNDH-JOCHJYFZSA-N 1 3 378.564 3.720 20 0 GHADHO C[N@@H+]1CCC[C@@H](CN2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606819 1034951880 /nfs/dbraw/zinc/95/18/80/1034951880.db2.gz HEHURWZWJQJILT-CTNGQTDRSA-N 1 3 399.579 3.665 20 0 GHADHO C[N@H+]1CCC[C@@H](CN2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606819 1034951882 /nfs/dbraw/zinc/95/18/82/1034951882.db2.gz HEHURWZWJQJILT-CTNGQTDRSA-N 1 3 399.579 3.665 20 0 GHADHO C[N@@H+]1CCC[C@@H](CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)C1 ZINC001208613270 1034955603 /nfs/dbraw/zinc/95/56/03/1034955603.db2.gz LLHPENJMQBIJBZ-LJQANCHMSA-N 1 3 389.547 3.918 20 0 GHADHO C[N@H+]1CCC[C@@H](CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)C1 ZINC001208613270 1034955606 /nfs/dbraw/zinc/95/56/06/1034955606.db2.gz LLHPENJMQBIJBZ-LJQANCHMSA-N 1 3 389.547 3.918 20 0 GHADHO Cc1cc(NC2=CCN(C)CC2)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001208803480 1035030598 /nfs/dbraw/zinc/03/05/98/1035030598.db2.gz XTYHZXBAMTUMOS-UHFFFAOYSA-N 1 3 379.552 3.735 20 0 GHADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4cc5cnccc5[nH]4)C[C@H]2C3)c1 ZINC001232014135 1035044126 /nfs/dbraw/zinc/04/41/26/1035044126.db2.gz YFUSYPORTANBQX-XLIONFOSSA-N 1 3 399.498 3.744 20 0 GHADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4cc5cnccc5[nH]4)C[C@H]2C3)c1 ZINC001232014135 1035044130 /nfs/dbraw/zinc/04/41/30/1035044130.db2.gz YFUSYPORTANBQX-XLIONFOSSA-N 1 3 399.498 3.744 20 0 GHADHO Cn1cc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)c(C(F)(F)F)n1 ZINC001232094059 1035091301 /nfs/dbraw/zinc/09/13/01/1035091301.db2.gz YFJOXVJWEGBVAW-KRWDZBQOSA-N 1 3 396.457 3.909 20 0 GHADHO Cn1cc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)c(C(F)(F)F)n1 ZINC001232094059 1035091308 /nfs/dbraw/zinc/09/13/08/1035091308.db2.gz YFJOXVJWEGBVAW-KRWDZBQOSA-N 1 3 396.457 3.909 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208941932 1035111526 /nfs/dbraw/zinc/11/15/26/1035111526.db2.gz NQQFVISVJYIEPX-BDTNDASRSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CCN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208941932 1035111532 /nfs/dbraw/zinc/11/15/32/1035111532.db2.gz NQQFVISVJYIEPX-BDTNDASRSA-N 1 3 399.579 3.697 20 0 GHADHO C[C@@H]1CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948396 1035119027 /nfs/dbraw/zinc/11/90/27/1035119027.db2.gz PSYWAXLSMNJOBX-HLAWJBBLSA-N 1 3 387.568 3.744 20 0 GHADHO C[C@@H]1CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948396 1035119032 /nfs/dbraw/zinc/11/90/32/1035119032.db2.gz PSYWAXLSMNJOBX-HLAWJBBLSA-N 1 3 387.568 3.744 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232146382 1035124436 /nfs/dbraw/zinc/12/44/36/1035124436.db2.gz OVZZIKNLJKPVTO-KRWDZBQOSA-N 1 3 393.547 3.966 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232146382 1035124439 /nfs/dbraw/zinc/12/44/39/1035124439.db2.gz OVZZIKNLJKPVTO-KRWDZBQOSA-N 1 3 393.547 3.966 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001232147395 1035125070 /nfs/dbraw/zinc/12/50/70/1035125070.db2.gz HPQKQSOIGCDEOW-VWNXMTODSA-N 1 3 381.539 3.984 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001232147395 1035125073 /nfs/dbraw/zinc/12/50/73/1035125073.db2.gz HPQKQSOIGCDEOW-VWNXMTODSA-N 1 3 381.539 3.984 20 0 GHADHO COC(=O)[C@@H]1CCCN(C2CC[NH+](CCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001209127479 1035185654 /nfs/dbraw/zinc/18/56/54/1035185654.db2.gz VLGPOUMEJHLRNG-QGZVFWFLSA-N 1 3 398.469 3.597 20 0 GHADHO N[C@@H](CC1CCCC1)C(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001161301983 1035205493 /nfs/dbraw/zinc/20/54/93/1035205493.db2.gz DOEJFIDIOIXBDQ-IBGZPJMESA-N 1 3 397.485 3.694 20 0 GHADHO Cc1ccc(CN(C(=O)c2csc3c2CCNC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161406151 1035224476 /nfs/dbraw/zinc/22/44/76/1035224476.db2.gz UUOBYWJNVBYDRE-IYARVYRRSA-N 1 3 383.561 3.615 20 0 GHADHO Cc1cccc(N2CCN(CCC(=O)Nc3ccc(C[NH+](C)C)cc3C)CC2)c1 ZINC001161413740 1035226360 /nfs/dbraw/zinc/22/63/60/1035226360.db2.gz SFHHTQDGOYJWBK-UHFFFAOYSA-N 1 3 394.563 3.516 20 0 GHADHO CN(C)C[C@@]12C[C@@H]1C[N@H+](CCCN(C(=O)OC(C)(C)C)C1CCCCC1)C2 ZINC001209310427 1035237619 /nfs/dbraw/zinc/23/76/19/1035237619.db2.gz HPGBXKWDRLNHKC-XMSQKQJNSA-N 1 3 379.589 3.830 20 0 GHADHO CN(C)C[C@@]12C[C@@H]1C[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CCCCC1)C2 ZINC001209310427 1035237625 /nfs/dbraw/zinc/23/76/25/1035237625.db2.gz HPGBXKWDRLNHKC-XMSQKQJNSA-N 1 3 379.589 3.830 20 0 GHADHO CC[C@@H](C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468375 1035282290 /nfs/dbraw/zinc/28/22/90/1035282290.db2.gz MAHWRQUUCKNJFX-PMACEKPBSA-N 1 3 375.557 3.744 20 0 GHADHO CC[C@@H](C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468375 1035282292 /nfs/dbraw/zinc/28/22/92/1035282292.db2.gz MAHWRQUUCKNJFX-PMACEKPBSA-N 1 3 375.557 3.744 20 0 GHADHO COc1cc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cnc1OC ZINC001209612896 1035330911 /nfs/dbraw/zinc/33/09/11/1035330911.db2.gz OATFQWLTEHHGOF-HXUWFJFHSA-N 1 3 385.508 3.568 20 0 GHADHO COc1cc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cnc1OC ZINC001209612896 1035330921 /nfs/dbraw/zinc/33/09/21/1035330921.db2.gz OATFQWLTEHHGOF-HXUWFJFHSA-N 1 3 385.508 3.568 20 0 GHADHO c1cnn(-c2ccc(CN3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc2)n1 ZINC001248771982 1036127316 /nfs/dbraw/zinc/12/73/16/1036127316.db2.gz CNGQMRORKBIICG-XWVZOOPGSA-N 1 3 389.547 3.662 20 0 GHADHO c1cnn(-c2ccc(CN3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc2)n1 ZINC001248771982 1036127321 /nfs/dbraw/zinc/12/73/21/1036127321.db2.gz CNGQMRORKBIICG-XWVZOOPGSA-N 1 3 389.547 3.662 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cc(F)ccc3OC)CC2)CCN1 ZINC001246361359 1037319615 /nfs/dbraw/zinc/31/96/15/1037319615.db2.gz XJROXVNRULYNPY-RTWAWAEBSA-N 1 3 377.548 3.699 20 0 GHADHO COC(=O)C1(c2ccc(Br)cc2)CCC([NH2+]C(C)(C)CCN)CC1 ZINC001246363173 1037321799 /nfs/dbraw/zinc/32/17/99/1037321799.db2.gz QDDPMZXVCITENH-UHFFFAOYSA-N 1 3 397.357 3.520 20 0 GHADHO COc1ccccc1C1(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246375567 1037332132 /nfs/dbraw/zinc/33/21/32/1037332132.db2.gz IMIFEXLYZVRHPV-FPOVZHCZSA-N 1 3 379.548 3.527 20 0 GHADHO COc1ccc(CC2([NH2+][C@@H]3CCc4cc(F)c(F)cc4C3)CCNCC2)cc1 ZINC001246377808 1037335185 /nfs/dbraw/zinc/33/51/85/1037335185.db2.gz MDKJKCLQQWAACM-LJQANCHMSA-N 1 3 386.486 3.785 20 0 GHADHO COc1cccc(CC2([NH2+][C@H]3CCc4cc(F)c(F)cc4C3)CCNCC2)c1 ZINC001246377764 1037335626 /nfs/dbraw/zinc/33/56/26/1037335626.db2.gz LPKRNGMEIZCHHX-IBGZPJMESA-N 1 3 386.486 3.785 20 0 GHADHO COc1cccc(CC2([NH2+][C@@H]3CCc4c(cccc4OC)C3)CCNCC2)c1 ZINC001246379344 1037337031 /nfs/dbraw/zinc/33/70/31/1037337031.db2.gz XSNXNPHEWMJUHX-HXUWFJFHSA-N 1 3 380.532 3.516 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246381017 1037339138 /nfs/dbraw/zinc/33/91/38/1037339138.db2.gz MWZZKWHMLWNLBX-AEFFLSMTSA-N 1 3 378.944 3.716 20 0 GHADHO CC[C@@H]1C[C@H](N[C@@H]2CCCN(c3nc4ccccc4n3CC)C2)C[C@H](CC)[NH2+]1 ZINC001246408616 1037363986 /nfs/dbraw/zinc/36/39/86/1037363986.db2.gz VXFIPPRJLYDFSZ-WCIQWLHISA-N 1 3 383.584 3.924 20 0 GHADHO c1ccc(C[C@H]2C[C@H]([NH2+]Cc3ccc(OCC4CCOCC4)cc3)CCN2)cc1 ZINC001246410745 1037366930 /nfs/dbraw/zinc/36/69/30/1037366930.db2.gz LJVZHZFDDNHUFL-RPWUZVMVSA-N 1 3 394.559 3.945 20 0 GHADHO Clc1cccc(CC2(N[C@@H]3CCN(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246428201 1037386470 /nfs/dbraw/zinc/38/64/70/1037386470.db2.gz KSRSKJIBSXLUAP-JOCHJYFZSA-N 1 3 383.967 3.869 20 0 GHADHO CC1(C)C[C@@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CCN1 ZINC001246441243 1037402612 /nfs/dbraw/zinc/40/26/12/1037402612.db2.gz LMXSFBVMELHJQC-KRWDZBQOSA-N 1 3 395.385 3.909 20 0 GHADHO COc1cccc2c1C[C@@H](N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)CO2 ZINC001246445843 1037407922 /nfs/dbraw/zinc/40/79/22/1037407922.db2.gz AGKKQMBCAGCWKN-UTKZUKDTSA-N 1 3 384.495 3.858 20 0 GHADHO COCOC1(c2ccc(Br)cc2)CCC(NCC[NH2+]C(C)C)CC1 ZINC001246460269 1037417998 /nfs/dbraw/zinc/41/79/98/1037417998.db2.gz LERZJAMQBZXIDT-UHFFFAOYSA-N 1 3 399.373 3.795 20 0 GHADHO CC[C@@H]1CC(NCCc2ccc(OCC(=O)OC(C)(C)C)cc2)C[C@@H](CC)[NH2+]1 ZINC001246485697 1037432366 /nfs/dbraw/zinc/43/23/66/1037432366.db2.gz VUAZPTKSEHICJV-RTBURBONSA-N 1 3 390.568 3.848 20 0 GHADHO [NH3+]C[C@@H](N[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001246506381 1037446720 /nfs/dbraw/zinc/44/67/20/1037446720.db2.gz HACIKYJDVHRDEP-CWBXHPNXSA-N 1 3 377.532 3.607 20 0 GHADHO CCOC(=O)[C@@]12CN([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001246600926 1037496010 /nfs/dbraw/zinc/49/60/10/1037496010.db2.gz FGIUAXZRDVZJAA-BPAFIMBUSA-N 1 3 398.469 3.501 20 0 GHADHO CCOC(=O)[C@@]12C[N@@H+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]1CNCCC2 ZINC001246600926 1037496017 /nfs/dbraw/zinc/49/60/17/1037496017.db2.gz FGIUAXZRDVZJAA-BPAFIMBUSA-N 1 3 398.469 3.501 20 0 GHADHO CCOC(=O)[C@@]12C[N@H+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]1CNCCC2 ZINC001246600926 1037496038 /nfs/dbraw/zinc/49/60/38/1037496038.db2.gz FGIUAXZRDVZJAA-BPAFIMBUSA-N 1 3 398.469 3.501 20 0 GHADHO COc1cc(C[C@@H](C)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc(OC)c1OC ZINC001246610165 1037502688 /nfs/dbraw/zinc/50/26/88/1037502688.db2.gz PUQJZWPMWUROSJ-WZONZLPQSA-N 1 3 390.568 3.889 20 0 GHADHO C[C@H](Cc1ccncc1)[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246620124 1037513285 /nfs/dbraw/zinc/51/32/85/1037513285.db2.gz PXNDDBGRJBLHBV-OFNKIYASSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@H](Cc1ccncc1)[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246620124 1037513296 /nfs/dbraw/zinc/51/32/96/1037513296.db2.gz PXNDDBGRJBLHBV-OFNKIYASSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)CN1Cc1ccccc1 ZINC001246624387 1037515140 /nfs/dbraw/zinc/51/51/40/1037515140.db2.gz DSABPUGYFHYJGW-QRQLOZEOSA-N 1 3 381.486 3.656 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675100 1037540086 /nfs/dbraw/zinc/54/00/86/1037540086.db2.gz VXPBOUDXBMSHLP-RQTOMXEWSA-N 1 3 392.543 3.990 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675100 1037540101 /nfs/dbraw/zinc/54/01/01/1037540101.db2.gz VXPBOUDXBMSHLP-RQTOMXEWSA-N 1 3 392.543 3.990 20 0 GHADHO CC[C@@H]1CC(N2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246707526 1037562028 /nfs/dbraw/zinc/56/20/28/1037562028.db2.gz BHLYSBJAWULHOE-AMEVOLBXSA-N 1 3 387.568 3.641 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725513 1037574561 /nfs/dbraw/zinc/57/45/61/1037574561.db2.gz ZRFUSVAUDMIPLD-SJBKTWHCSA-N 1 3 389.609 3.987 20 0 GHADHO O=C1C[C@@]2(CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1cccc(F)c1 ZINC001246759174 1037602004 /nfs/dbraw/zinc/60/20/04/1037602004.db2.gz QLWZOHGWXVPKOO-IFMALSPDSA-N 1 3 385.527 3.709 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246807369 1037640742 /nfs/dbraw/zinc/64/07/42/1037640742.db2.gz QQIPNNZUSOWBKE-SQNIBIBYSA-N 1 3 380.374 3.562 20 0 GHADHO COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246851020 1037677199 /nfs/dbraw/zinc/67/71/99/1037677199.db2.gz AGWVQGNLUCNEBH-QZNHQXDQSA-N 1 3 382.548 3.802 20 0 GHADHO COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246851020 1037677210 /nfs/dbraw/zinc/67/72/10/1037677210.db2.gz AGWVQGNLUCNEBH-QZNHQXDQSA-N 1 3 382.548 3.802 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246957552 1037772762 /nfs/dbraw/zinc/77/27/62/1037772762.db2.gz BUMQBTXHZIEFJN-UWJYYQICSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246957552 1037772781 /nfs/dbraw/zinc/77/27/81/1037772781.db2.gz BUMQBTXHZIEFJN-UWJYYQICSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)C1 ZINC001246959960 1037778829 /nfs/dbraw/zinc/77/88/29/1037778829.db2.gz KHUVXNTZGQSKBS-APWZRJJASA-N 1 3 392.515 3.510 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)C1 ZINC001246959960 1037778848 /nfs/dbraw/zinc/77/88/48/1037778848.db2.gz KHUVXNTZGQSKBS-APWZRJJASA-N 1 3 392.515 3.510 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H](N(Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246959960 1037778869 /nfs/dbraw/zinc/77/88/69/1037778869.db2.gz KHUVXNTZGQSKBS-APWZRJJASA-N 1 3 392.515 3.510 20 0 GHADHO O[C@]1(CN[C@H](c2cccc(F)c2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252947705 1039290974 /nfs/dbraw/zinc/29/09/74/1039290974.db2.gz CXYLLFJGPZRTFM-ZEQRLZLVSA-N 1 3 398.522 3.520 20 0 GHADHO O[C@]1(CN[C@H](c2cccc(F)c2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947705 1039290985 /nfs/dbraw/zinc/29/09/85/1039290985.db2.gz CXYLLFJGPZRTFM-ZEQRLZLVSA-N 1 3 398.522 3.520 20 0 GHADHO COc1cccc([C@@H]2CCC[N@@H+]2CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254040148 1039970021 /nfs/dbraw/zinc/97/00/21/1039970021.db2.gz QFHPXKUXQMVGPX-QHCPKHFHSA-N 1 3 380.532 3.859 20 0 GHADHO COc1cccc([C@@H]2CCC[N@H+]2CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254040148 1039970023 /nfs/dbraw/zinc/97/00/23/1039970023.db2.gz QFHPXKUXQMVGPX-QHCPKHFHSA-N 1 3 380.532 3.859 20 0 GHADHO CN1CC2(C1)CC[NH+](C1CCC3(CCN(C(=O)OC(C)(C)C)C3)CC1)CC2 ZINC001254879788 1040627423 /nfs/dbraw/zinc/62/74/23/1040627423.db2.gz RSZLHYPLFKWTSN-UHFFFAOYSA-N 1 3 377.573 3.584 20 0 GHADHO [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254941063 1040680381 /nfs/dbraw/zinc/68/03/81/1040680381.db2.gz PYDWHTRRRUEOME-HOTGVXAUSA-N 1 3 380.454 3.799 20 0 GHADHO CN(CCCc1c(F)cccc1Cl)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462482608 1070291425 /nfs/dbraw/zinc/29/14/25/1070291425.db2.gz WAWVOTQFLALAKD-QFIPXVFZSA-N 1 3 390.930 3.981 20 0 GHADHO CN(CCCc1c(F)cccc1Cl)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462482608 1070291440 /nfs/dbraw/zinc/29/14/40/1070291440.db2.gz WAWVOTQFLALAKD-QFIPXVFZSA-N 1 3 390.930 3.981 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131029 1040826520 /nfs/dbraw/zinc/82/65/20/1040826520.db2.gz LUGRYZRRWCNVEA-GPJHCHHRSA-N 1 3 376.548 3.836 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131029 1040826526 /nfs/dbraw/zinc/82/65/26/1040826526.db2.gz LUGRYZRRWCNVEA-GPJHCHHRSA-N 1 3 376.548 3.836 20 0 GHADHO COc1ccc2c(c1)c(CN)nn2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137325 1040839365 /nfs/dbraw/zinc/83/93/65/1040839365.db2.gz WPLIMCRECWURCG-REPLKXPHSA-N 1 3 376.504 3.872 20 0 GHADHO COc1ccc2c(c1)c(CN)nn2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137325 1040839376 /nfs/dbraw/zinc/83/93/76/1040839376.db2.gz WPLIMCRECWURCG-REPLKXPHSA-N 1 3 376.504 3.872 20 0 GHADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365618 1040855704 /nfs/dbraw/zinc/85/57/04/1040855704.db2.gz OQHWXJBJTNEOMT-WPWBMXPQSA-N 1 3 392.543 3.847 20 0 GHADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365618 1040855715 /nfs/dbraw/zinc/85/57/15/1040855715.db2.gz OQHWXJBJTNEOMT-WPWBMXPQSA-N 1 3 392.543 3.847 20 0 GHADHO Cc1cc(OC(C)C)ncc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001235418709 1040922926 /nfs/dbraw/zinc/92/29/26/1040922926.db2.gz TUCORLUVHKNENW-UHFFFAOYSA-N 1 3 375.557 3.502 20 0 GHADHO COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C(F)(F)F)c1OC ZINC001235429595 1040930161 /nfs/dbraw/zinc/93/01/61/1040930161.db2.gz USPKPPRFBKIDNG-CABCVRRESA-N 1 3 386.458 3.934 20 0 GHADHO Ic1ccccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429100 1040930278 /nfs/dbraw/zinc/93/02/78/1040930278.db2.gz XBXHZLYNJYLFFB-HUUCEWRRSA-N 1 3 384.305 3.503 20 0 GHADHO COc1c(C)cc(Br)cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431197 1040931925 /nfs/dbraw/zinc/93/19/25/1040931925.db2.gz MQBNVSHHCRNTDR-CVEARBPZSA-N 1 3 381.358 3.978 20 0 GHADHO Brc1ccc2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432224 1040933769 /nfs/dbraw/zinc/93/37/69/1040933769.db2.gz RBLNRHFCPUJXJK-ZIAGYGMSSA-N 1 3 377.330 3.537 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@H](N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)C1 ZINC001255358403 1040960264 /nfs/dbraw/zinc/96/02/64/1040960264.db2.gz VALMNIUOHSJLJN-OALUTQOASA-N 1 3 381.520 3.787 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCC3(CC(N(C)Cc4ccncc4)C3)CC2)C1 ZINC001255359413 1040961575 /nfs/dbraw/zinc/96/15/75/1040961575.db2.gz BMBACBPKYUQKBC-RTWAWAEBSA-N 1 3 399.579 3.880 20 0 GHADHO COc1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC001255390373 1040977927 /nfs/dbraw/zinc/97/79/27/1040977927.db2.gz BRRWCBHTTVPHMM-HXUWFJFHSA-N 1 3 384.520 3.857 20 0 GHADHO CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404951 1040991644 /nfs/dbraw/zinc/99/16/44/1040991644.db2.gz LTAOQHHIICZPOL-RTWAWAEBSA-N 1 3 387.568 3.982 20 0 GHADHO CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404951 1040991646 /nfs/dbraw/zinc/99/16/46/1040991646.db2.gz LTAOQHHIICZPOL-RTWAWAEBSA-N 1 3 387.568 3.982 20 0 GHADHO CN(C)C(=O)C1CC[NH+](C2CCN(C3CCC(C(C)(C)C)CC3)CC2)CC1 ZINC001255502199 1041094997 /nfs/dbraw/zinc/09/49/97/1041094997.db2.gz ALLXFBCDSSNXGQ-UHFFFAOYSA-N 1 3 377.617 3.856 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+]([C@H]1CCOC(C)(C)C1)CC2 ZINC001255543579 1041121684 /nfs/dbraw/zinc/12/16/84/1041121684.db2.gz HBOPAOAWUAPJAI-ZWKOTPCHSA-N 1 3 378.582 3.761 20 0 GHADHO FC(F)(F)Oc1ccc(OC2CCN(CC3(F)CC[NH2+]CC3)CC2)cc1 ZINC001235673345 1041132906 /nfs/dbraw/zinc/13/29/06/1041132906.db2.gz DCZJLCSAFNWXAR-UHFFFAOYSA-N 1 3 376.394 3.520 20 0 GHADHO FC1(CN2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC[NH2+]CC1 ZINC001235885838 1041411386 /nfs/dbraw/zinc/41/13/86/1041411386.db2.gz ZYLKAHAXANRNBL-UHFFFAOYSA-N 1 3 382.936 3.554 20 0 GHADHO c1ccc(COc2cc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cc3c2OCO3)cc1 ZINC001235886424 1041412628 /nfs/dbraw/zinc/41/26/28/1041412628.db2.gz AAZRFVUNQBYOCN-OAQYLSRUSA-N 1 3 394.515 3.958 20 0 GHADHO COc1cccc(OC)c1CN1CCC(n2ccc3cc(CC[NH3+])ccc32)CC1 ZINC001255928062 1041416900 /nfs/dbraw/zinc/41/69/00/1041416900.db2.gz IWJFENSKEFIVFA-UHFFFAOYSA-N 1 3 393.531 3.997 20 0 GHADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccc(Cl)cc2[nH]1 ZINC001278902064 1041453512 /nfs/dbraw/zinc/45/35/12/1041453512.db2.gz CUUYDFQVFYTAHD-JLYLLQBASA-N 1 3 377.916 3.527 20 0 GHADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccc(Cl)cc2[nH]1 ZINC001278902064 1041453519 /nfs/dbraw/zinc/45/35/19/1041453519.db2.gz CUUYDFQVFYTAHD-JLYLLQBASA-N 1 3 377.916 3.527 20 0 GHADHO FC(F)(F)c1ccc(CN2CCC([NH+]3CCNCC3)CC2)c(C(F)(F)F)c1 ZINC001236127166 1041553617 /nfs/dbraw/zinc/55/36/17/1041553617.db2.gz DTJWRTFVXSSIAP-UHFFFAOYSA-N 1 3 395.391 3.594 20 0 GHADHO COc1ccc2c(Br)ccc(C[N@H+](C)[C@H]3CCCC[C@H]3N)c2n1 ZINC001236215313 1041625888 /nfs/dbraw/zinc/62/58/88/1041625888.db2.gz GQELMPLYTLDOLR-CVEARBPZSA-N 1 3 378.314 3.708 20 0 GHADHO COc1ccc2c(Br)ccc(C[N@@H+](C)[C@H]3CCCC[C@H]3N)c2n1 ZINC001236215313 1041625895 /nfs/dbraw/zinc/62/58/95/1041625895.db2.gz GQELMPLYTLDOLR-CVEARBPZSA-N 1 3 378.314 3.708 20 0 GHADHO Clc1nc2[nH]cc(C[N@H+](C[C@@H]3CCCNC3)C3CCCC3)c2c(Cl)n1 ZINC001236375914 1041687321 /nfs/dbraw/zinc/68/73/21/1041687321.db2.gz OAOHCVUUQDJFAJ-GFCCVEGCSA-N 1 3 382.339 3.961 20 0 GHADHO Clc1nc2[nH]cc(C[N@@H+](C[C@@H]3CCCNC3)C3CCCC3)c2c(Cl)n1 ZINC001236375914 1041687326 /nfs/dbraw/zinc/68/73/26/1041687326.db2.gz OAOHCVUUQDJFAJ-GFCCVEGCSA-N 1 3 382.339 3.961 20 0 GHADHO Fc1ccc(CN(Cc2cc(F)cc3c2OCOC3)CC2CC[NH2+]CC2)cc1 ZINC001236382100 1041691380 /nfs/dbraw/zinc/69/13/80/1041691380.db2.gz NYMIAHGSPYSAMH-UHFFFAOYSA-N 1 3 388.458 3.833 20 0 GHADHO Cc1ccc(CN2CC[C@H](N3CCC([NH3+])CC3)C2)c(OCc2ccccc2)c1 ZINC001236623885 1041789656 /nfs/dbraw/zinc/78/96/56/1041789656.db2.gz VJIXZSAUCLZDQB-QHCPKHFHSA-N 1 3 379.548 3.571 20 0 GHADHO CCOC(=O)c1cccc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001236653602 1041805148 /nfs/dbraw/zinc/80/51/48/1041805148.db2.gz ZVULQVAIOFKLFG-UHFFFAOYSA-N 1 3 381.520 3.602 20 0 GHADHO CCOC(=O)c1ccc(CN(Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)nc1 ZINC001236727360 1041859797 /nfs/dbraw/zinc/85/97/97/1041859797.db2.gz XSUACZCABBBWQZ-AQYVVDRMSA-N 1 3 381.520 3.839 20 0 GHADHO CN1CCN(c2cccc(CN3CCC([N@H+](C)Cc4ccccc4)CC3)c2)CC1 ZINC001236898689 1041945294 /nfs/dbraw/zinc/94/52/94/1041945294.db2.gz NPXOKOJBOZJQHW-UHFFFAOYSA-N 1 3 392.591 3.535 20 0 GHADHO CN1CCN(c2cccc(CN3CCC([N@@H+](C)Cc4ccccc4)CC3)c2)CC1 ZINC001236898689 1041945298 /nfs/dbraw/zinc/94/52/98/1041945298.db2.gz NPXOKOJBOZJQHW-UHFFFAOYSA-N 1 3 392.591 3.535 20 0 GHADHO Clc1ccc2c(c1)[C@H]1CN(Cc3cccc(CN4CC[NH2+]CC4)c3)CC[C@H]1N2 ZINC001237237864 1042101111 /nfs/dbraw/zinc/10/11/11/1042101111.db2.gz YDMGPRXOZQZVIH-FYYLOGMGSA-N 1 3 396.966 3.529 20 0 GHADHO CCc1n[nH]cc1CN1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001237653920 1042306063 /nfs/dbraw/zinc/30/60/63/1042306063.db2.gz UHXQGMJMTLPGCP-UHFFFAOYSA-N 1 3 382.552 3.618 20 0 GHADHO CC(C)Oc1cncc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001238465272 1042605839 /nfs/dbraw/zinc/60/58/39/1042605839.db2.gz JPWJZQUFDXXWFC-UHFFFAOYSA-N 1 3 380.536 3.752 20 0 GHADHO CC(C)Oc1cncc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001238465272 1042605843 /nfs/dbraw/zinc/60/58/43/1042605843.db2.gz JPWJZQUFDXXWFC-UHFFFAOYSA-N 1 3 380.536 3.752 20 0 GHADHO CCOC(=O)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001256527958 1043455597 /nfs/dbraw/zinc/45/55/97/1043455597.db2.gz BRQQUCOUPWTDHU-WWPVKYPJSA-N 1 3 380.532 3.976 20 0 GHADHO CCOC(=O)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001256527958 1043455610 /nfs/dbraw/zinc/45/56/10/1043455610.db2.gz BRQQUCOUPWTDHU-WWPVKYPJSA-N 1 3 380.532 3.976 20 0 GHADHO COCC[N@H+](C1CCN(C(C)(C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256576362 1043549116 /nfs/dbraw/zinc/54/91/16/1043549116.db2.gz HGASOGLQOXRNEA-IBGZPJMESA-N 1 3 397.604 3.597 20 0 GHADHO COCC[N@@H+](C1CCN(C(C)(C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256576362 1043549126 /nfs/dbraw/zinc/54/91/26/1043549126.db2.gz HGASOGLQOXRNEA-IBGZPJMESA-N 1 3 397.604 3.597 20 0 GHADHO CCC[NH+](CCC)CCCN1CCN([C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256658977 1043601743 /nfs/dbraw/zinc/60/17/43/1043601743.db2.gz PGADLETYPJJFJG-JOCHJYFZSA-N 1 3 387.612 3.682 20 0 GHADHO Clc1ccc(CN2CCC([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256680943 1043619489 /nfs/dbraw/zinc/61/94/89/1043619489.db2.gz FQFWABVDQJHTBK-UHFFFAOYSA-N 1 3 391.987 3.537 20 0 GHADHO Cn1c(CNC2CCN(c3cc[nH+]cc3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC001256850641 1043701195 /nfs/dbraw/zinc/70/11/95/1043701195.db2.gz GHPFMCSJDBTKHY-UHFFFAOYSA-N 1 3 389.425 3.746 20 0 GHADHO CSc1ncc(C[NH2+][C@@]23CC[C@@](NCc4scnc4C)(C2)CCC3)cn1 ZINC001278975240 1043733023 /nfs/dbraw/zinc/73/30/23/1043733023.db2.gz PMJJMJIZVQYLET-RBUKOAKNSA-N 1 3 389.594 3.688 20 0 GHADHO CCOC(=O)c1ccc(C[C@H](C)[NH2+]CC2CCN(Cc3cccnc3)CC2)cc1 ZINC001257153195 1043901958 /nfs/dbraw/zinc/90/19/58/1043901958.db2.gz JTCVXHAORGODCW-IBGZPJMESA-N 1 3 395.547 3.691 20 0 GHADHO Cc1cc(=O)oc2ccc(NC(=O)[C@@H]([NH2+]C3CCN(C(C)C)CC3)C(C)C)cc12 ZINC001257214138 1043938537 /nfs/dbraw/zinc/93/85/37/1043938537.db2.gz YGYVPMKGYXVOLA-QFIPXVFZSA-N 1 3 399.535 3.527 20 0 GHADHO CCCCOC(=O)CC[C@@H](C)[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001257399379 1043985692 /nfs/dbraw/zinc/98/56/92/1043985692.db2.gz ZCUTVRFGNLPPEO-HXUWFJFHSA-N 1 3 387.568 3.882 20 0 GHADHO CN1CC2(C1)CC[NH+]([C@H]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2 ZINC001257817280 1044199052 /nfs/dbraw/zinc/19/90/52/1044199052.db2.gz XPTDVGFFGARECJ-GHTZIAJQSA-N 1 3 377.573 3.584 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001258001464 1044328941 /nfs/dbraw/zinc/32/89/41/1044328941.db2.gz RPHPLVQUAFOIHE-RBUKOAKNSA-N 1 3 381.605 3.980 20 0 GHADHO CC(C)C[NH+]1CCC(N(C2CC2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258017629 1044343655 /nfs/dbraw/zinc/34/36/55/1044343655.db2.gz CIDZNJLRJAGDQZ-HXUWFJFHSA-N 1 3 379.589 3.971 20 0 GHADHO C[C@@H](CC1CC1)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258461995 1044571060 /nfs/dbraw/zinc/57/10/60/1044571060.db2.gz QWBUJZUZYPCLIO-NGYIFUPDSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H](CC1CC1)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258461995 1044571071 /nfs/dbraw/zinc/57/10/71/1044571071.db2.gz QWBUJZUZYPCLIO-NGYIFUPDSA-N 1 3 383.580 3.821 20 0 GHADHO CCC[NH+]1CCC(N2CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001258772528 1044757481 /nfs/dbraw/zinc/75/74/81/1044757481.db2.gz RKPPKVKLVMTPSQ-UHFFFAOYSA-N 1 3 379.589 3.974 20 0 GHADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000584040771 1046649545 /nfs/dbraw/zinc/64/95/45/1046649545.db2.gz HYJNNTVRULYFHT-OAQYLSRUSA-N 1 3 392.503 3.732 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000381796701 1047000619 /nfs/dbraw/zinc/00/06/19/1047000619.db2.gz PLYDQLBPCZGCIX-MYGLTJDJSA-N 1 3 399.579 3.886 20 0 GHADHO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000390775292 1047512363 /nfs/dbraw/zinc/51/23/63/1047512363.db2.gz OBVRKWXJZCKVKJ-ILWGZMRPSA-N 1 3 399.579 3.886 20 0 GHADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518729 1049362278 /nfs/dbraw/zinc/36/22/78/1049362278.db2.gz VVUPLTCDVXHSFZ-VQTJNVASSA-N 1 3 379.589 3.687 20 0 GHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518729 1049362295 /nfs/dbraw/zinc/36/22/95/1049362295.db2.gz VVUPLTCDVXHSFZ-VQTJNVASSA-N 1 3 379.589 3.687 20 0 GHADHO COC(=O)c1cccc(OCCNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC001307659624 1049483952 /nfs/dbraw/zinc/48/39/52/1049483952.db2.gz UHSUWILZKGZMFP-RTBURBONSA-N 1 3 396.531 3.598 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001308329483 1049950049 /nfs/dbraw/zinc/95/00/49/1049950049.db2.gz AVAHCJCVFMGUOJ-RPWUZVMVSA-N 1 3 398.522 3.872 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC001308384752 1049963734 /nfs/dbraw/zinc/96/37/34/1049963734.db2.gz WLKYQCACDRJYFV-XMMPIXPASA-N 1 3 381.564 3.659 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001308884131 1050139206 /nfs/dbraw/zinc/13/92/06/1050139206.db2.gz MHTLEMUMNGZJHI-RBUKOAKNSA-N 1 3 377.573 3.630 20 0 GHADHO CC(C)(C)[C@@]1(C[NH+]2CCC3(CC2)COCCO3)CCN(Cc2ccccc2)C1 ZINC001308915223 1050163738 /nfs/dbraw/zinc/16/37/38/1050163738.db2.gz KJCYFWAXFGPEMN-HSZRJFAPSA-N 1 3 386.580 3.806 20 0 GHADHO FC(F)Oc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC001328411819 1050501369 /nfs/dbraw/zinc/50/13/69/1050501369.db2.gz ATMFDUMAWBDDEX-QWHCGFSZSA-N 1 3 376.394 3.711 20 0 GHADHO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(CN3CCN(C)CC3)c1)CCC2 ZINC001333468079 1051747603 /nfs/dbraw/zinc/74/76/03/1051747603.db2.gz YIFBYSQPSMDHBL-DEOSSOPVSA-N 1 3 379.548 3.610 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccsc1 ZINC001311393480 1052084528 /nfs/dbraw/zinc/08/45/28/1052084528.db2.gz DVLPDVPGSPVPIP-QZTJIDSGSA-N 1 3 382.618 3.797 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001311568956 1052251898 /nfs/dbraw/zinc/25/18/98/1052251898.db2.gz IEAXGPNVRJWOPF-FGZHOGPDSA-N 1 3 388.600 3.806 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001311568956 1052251904 /nfs/dbraw/zinc/25/19/04/1052251904.db2.gz IEAXGPNVRJWOPF-FGZHOGPDSA-N 1 3 388.600 3.806 20 0 GHADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC001311571305 1052253965 /nfs/dbraw/zinc/25/39/65/1052253965.db2.gz KHKOWALOZUXLKR-RBUKOAKNSA-N 1 3 392.613 3.647 20 0 GHADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC001311571305 1052253979 /nfs/dbraw/zinc/25/39/79/1052253979.db2.gz KHKOWALOZUXLKR-RBUKOAKNSA-N 1 3 392.613 3.647 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001311641618 1052294726 /nfs/dbraw/zinc/29/47/26/1052294726.db2.gz XLQIRGXKOLLPRH-SIKLNZKXSA-N 1 3 388.600 3.661 20 0 GHADHO CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCCN(C)C1 ZINC001311645575 1052296925 /nfs/dbraw/zinc/29/69/25/1052296925.db2.gz BSLFCHZAWJKWGP-QFIPXVFZSA-N 1 3 386.584 3.687 20 0 GHADHO CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCCN(C)C1 ZINC001311645575 1052296933 /nfs/dbraw/zinc/29/69/33/1052296933.db2.gz BSLFCHZAWJKWGP-QFIPXVFZSA-N 1 3 386.584 3.687 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCC2(C[NH+](C)C)CCCC2)N2CCCC2)cc1 ZINC001311767250 1052385435 /nfs/dbraw/zinc/38/54/35/1052385435.db2.gz SNVDTWCWCZEGQB-NRFANRHFSA-N 1 3 386.584 3.553 20 0 GHADHO C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N(C)Cc1ccccc1 ZINC001311986499 1052515098 /nfs/dbraw/zinc/51/50/98/1052515098.db2.gz LACKEMLKUGCNIH-KNQAVFIVSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)N(C)Cc1ccccc1 ZINC001311986499 1052515107 /nfs/dbraw/zinc/51/51/07/1052515107.db2.gz LACKEMLKUGCNIH-KNQAVFIVSA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC001312222489 1052646592 /nfs/dbraw/zinc/64/65/92/1052646592.db2.gz GACJVWCYCQSMPP-LAUBAEHRSA-N 1 3 392.563 3.628 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC001312222489 1052646595 /nfs/dbraw/zinc/64/65/95/1052646595.db2.gz GACJVWCYCQSMPP-LAUBAEHRSA-N 1 3 392.563 3.628 20 0 GHADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC001313172701 1052976308 /nfs/dbraw/zinc/97/63/08/1052976308.db2.gz ZQUIIFKECZYZHW-JOCHJYFZSA-N 1 3 390.616 3.691 20 0 GHADHO O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC001313172701 1052976309 /nfs/dbraw/zinc/97/63/09/1052976309.db2.gz ZQUIIFKECZYZHW-JOCHJYFZSA-N 1 3 390.616 3.691 20 0 GHADHO CCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC001318303953 1054555966 /nfs/dbraw/zinc/55/59/66/1054555966.db2.gz XOXTYLLTCQKPSQ-NRFANRHFSA-N 1 3 391.987 3.933 20 0 GHADHO CCC[N@H+]1CCCC[C@H]1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC001318303953 1054555982 /nfs/dbraw/zinc/55/59/82/1054555982.db2.gz XOXTYLLTCQKPSQ-NRFANRHFSA-N 1 3 391.987 3.933 20 0 GHADHO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001320578957 1055891146 /nfs/dbraw/zinc/89/11/46/1055891146.db2.gz YZIUAVQMSXFYLM-GOSISDBHSA-N 1 3 399.966 3.886 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccc(OC(F)F)cc1 ZINC001322643102 1056781456 /nfs/dbraw/zinc/78/14/56/1056781456.db2.gz LKFHJKCPHZQYGK-QGZVFWFLSA-N 1 3 389.490 3.886 20 0 GHADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001200822163 1056990602 /nfs/dbraw/zinc/99/06/02/1056990602.db2.gz RWAPLRNUZKSBAI-PMACEKPBSA-N 1 3 387.568 3.942 20 0 GHADHO CC(C)[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)Nc1ccccc1 ZINC000849056333 1057567661 /nfs/dbraw/zinc/56/76/61/1057567661.db2.gz DKYBUCVZYNCHGD-QHCPKHFHSA-N 1 3 393.579 3.902 20 0 GHADHO CC(C)COc1ccccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849070234 1057580734 /nfs/dbraw/zinc/58/07/34/1057580734.db2.gz LKAWSXNWITVMKL-UHFFFAOYSA-N 1 3 394.563 4.000 20 0 GHADHO CN(C)CCN(C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC001442569669 1058978061 /nfs/dbraw/zinc/97/80/61/1058978061.db2.gz FBJNKSNQSUWSDE-JOCHJYFZSA-N 1 3 379.548 3.536 20 0 GHADHO CN(C)CCN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC001442569669 1058978062 /nfs/dbraw/zinc/97/80/62/1058978062.db2.gz FBJNKSNQSUWSDE-JOCHJYFZSA-N 1 3 379.548 3.536 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001453213855 1061093859 /nfs/dbraw/zinc/09/38/59/1061093859.db2.gz XIEHBIZZSQFOTN-HNNXBMFYSA-N 1 3 377.529 3.556 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001453213855 1061093884 /nfs/dbraw/zinc/09/38/84/1061093884.db2.gz XIEHBIZZSQFOTN-HNNXBMFYSA-N 1 3 377.529 3.556 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC001477673319 1078519311 /nfs/dbraw/zinc/51/93/11/1078519311.db2.gz DKAUJESZSGKXDZ-FYYLOGMGSA-N 1 3 398.595 3.553 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC001477673319 1078519313 /nfs/dbraw/zinc/51/93/13/1078519313.db2.gz DKAUJESZSGKXDZ-FYYLOGMGSA-N 1 3 398.595 3.553 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC001467688163 1067421264 /nfs/dbraw/zinc/42/12/64/1067421264.db2.gz ULNZFCAYRAIPJH-QFIPXVFZSA-N 1 3 388.600 3.519 20 0 GHADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001477764338 1078558049 /nfs/dbraw/zinc/55/80/49/1078558049.db2.gz GMUJKFFDBBVKGH-NRFANRHFSA-N 1 3 388.600 3.805 20 0 GHADHO C[C@@]1(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000849115416 1067736146 /nfs/dbraw/zinc/73/61/46/1067736146.db2.gz SUAQFKZTUVRFFG-GOSISDBHSA-N 1 3 383.367 3.739 20 0 GHADHO CC(C)n1ncc2cc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)c(Cl)nc21 ZINC000849350071 1067815336 /nfs/dbraw/zinc/81/53/36/1067815336.db2.gz JNKPCCCSLVTMGM-MRXNPFEDSA-N 1 3 375.948 3.877 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001477927049 1078631678 /nfs/dbraw/zinc/63/16/78/1078631678.db2.gz KJUPDIVNFPAKOO-FGZHOGPDSA-N 1 3 386.584 3.777 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001477927049 1078631684 /nfs/dbraw/zinc/63/16/84/1078631684.db2.gz KJUPDIVNFPAKOO-FGZHOGPDSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001470025651 1068529705 /nfs/dbraw/zinc/52/97/05/1068529705.db2.gz HVSMVKMSLJFMNA-INIZCTEOSA-N 1 3 395.975 3.663 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001470025651 1068529722 /nfs/dbraw/zinc/52/97/22/1068529722.db2.gz HVSMVKMSLJFMNA-INIZCTEOSA-N 1 3 395.975 3.663 20 0 GHADHO CCc1ccc([C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001460550285 1068993162 /nfs/dbraw/zinc/99/31/62/1068993162.db2.gz CMUDXUBNFJFEGP-NZQKXSOJSA-N 1 3 391.575 3.961 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC001478700886 1078960053 /nfs/dbraw/zinc/96/00/53/1078960053.db2.gz KKRFDPUCGYEUCU-FXAWDEMLSA-N 1 3 392.613 3.575 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC001478700886 1078960058 /nfs/dbraw/zinc/96/00/58/1078960058.db2.gz KKRFDPUCGYEUCU-FXAWDEMLSA-N 1 3 392.613 3.575 20 0 GHADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001470782413 1072737824 /nfs/dbraw/zinc/73/78/24/1072737824.db2.gz CARKGPSTYVFUAM-NRFANRHFSA-N 1 3 398.595 3.656 20 0 GHADHO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001479002044 1079059929 /nfs/dbraw/zinc/05/99/29/1079059929.db2.gz XGJVOFVYGAFVBO-JTHBVZDNSA-N 1 3 398.595 3.699 20 0 GHADHO CN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001479002044 1079059936 /nfs/dbraw/zinc/05/99/36/1079059936.db2.gz XGJVOFVYGAFVBO-JTHBVZDNSA-N 1 3 398.595 3.699 20 0 GHADHO COc1cccc(-c2n[nH]cc2CNCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001473916944 1074202459 /nfs/dbraw/zinc/20/24/59/1074202459.db2.gz MDRMBUGTFMPOEO-UHFFFAOYSA-N 1 3 376.504 3.971 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NCc2ccc(-n3cncn3)c(C)c2)CC1 ZINC001473938805 1074211381 /nfs/dbraw/zinc/21/13/81/1074211381.db2.gz NKNUXFHPJRJEDK-UHFFFAOYSA-N 1 3 375.520 3.638 20 0 GHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cc(OC)c(OC)cc1C ZINC001474184961 1074286324 /nfs/dbraw/zinc/28/63/24/1074286324.db2.gz KLDILALAFIXIOG-ZJSXRUAMSA-N 1 3 398.547 3.639 20 0 GHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cc(OC)c(OC)cc1C ZINC001474184961 1074286328 /nfs/dbraw/zinc/28/63/28/1074286328.db2.gz KLDILALAFIXIOG-ZJSXRUAMSA-N 1 3 398.547 3.639 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001474421155 1074398885 /nfs/dbraw/zinc/39/88/85/1074398885.db2.gz GZQDJWZDRCNUIC-PWAJEDTMSA-N 1 3 376.516 3.669 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[NH+]1CCCCCC1 ZINC001495288232 1079398267 /nfs/dbraw/zinc/39/82/67/1079398267.db2.gz WXTIHKYGXHKYBM-UFYCRDLUSA-N 1 3 390.620 3.587 20 0 GHADHO CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)CC2)CC1 ZINC000824953667 608524182 /nfs/dbraw/zinc/52/41/82/608524182.db2.gz GTYLUSRCOBRBMH-QETWGEEDSA-N 1 3 394.567 3.877 20 0 GHADHO CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)CC2)CC1 ZINC000824953667 608524183 /nfs/dbraw/zinc/52/41/83/608524183.db2.gz GTYLUSRCOBRBMH-QETWGEEDSA-N 1 3 394.567 3.877 20 0 GHADHO Fc1cccc(CN2CC[C@]23CCCN(c2cc(-n4ccnc4)cc[nH+]2)C3)c1 ZINC001164996114 722210683 /nfs/dbraw/zinc/21/06/83/722210683.db2.gz LKJBHXSVJPXYKD-QFIPXVFZSA-N 1 3 377.467 3.651 20 0 GHADHO CC1CCN([C@@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c2cccs2)CC1 ZINC000655684667 837668348 /nfs/dbraw/zinc/66/83/48/837668348.db2.gz UJLQJAJSCWKQCM-SFTDATJTSA-N 1 3 391.625 3.754 20 0 GHADHO Clc1ccccc1[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCCC1 ZINC000655692334 837673209 /nfs/dbraw/zinc/67/32/09/837673209.db2.gz UNSPKGUCDZACHZ-KNQAVFIVSA-N 1 3 391.987 3.710 20 0 GHADHO O=C(CC1(N2CCOCC2)CCCC1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000118770933 834433427 /nfs/dbraw/zinc/43/34/27/834433427.db2.gz RBGCURFSCDXXPP-UHFFFAOYSA-N 1 3 385.552 3.646 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](Cc4ccccc4)C3)CC2)CC1 ZINC000654747161 834506241 /nfs/dbraw/zinc/50/62/41/834506241.db2.gz XXCYNHRIKWWGGQ-QFIPXVFZSA-N 1 3 397.607 3.664 20 0 GHADHO COc1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)c(OC)c1 ZINC000584411406 834547171 /nfs/dbraw/zinc/54/71/71/834547171.db2.gz GTCKZGOZCIPFMV-JKSUJKDBSA-N 1 3 387.549 3.649 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000655735319 837784954 /nfs/dbraw/zinc/78/49/54/837784954.db2.gz GYTIUTNHYZRTLP-DYESRHJHSA-N 1 3 388.531 3.546 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3Cl)CC2)CC1 ZINC000654812414 834595776 /nfs/dbraw/zinc/59/57/76/834595776.db2.gz CFUCBIRMPXYACM-HNNXBMFYSA-N 1 3 395.950 3.853 20 0 GHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Br)c(Cl)s1 ZINC000584437551 834614727 /nfs/dbraw/zinc/61/47/27/834614727.db2.gz NCHYQNZIZOPRQC-UHFFFAOYSA-N 1 3 394.810 3.622 20 0 GHADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccc(C[NH3+])cc1F ZINC000650717752 834647141 /nfs/dbraw/zinc/64/71/41/834647141.db2.gz LMIDKYGOKMFXBE-LBPRGKRZSA-N 1 3 383.389 3.810 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000118773849 834684532 /nfs/dbraw/zinc/68/45/32/834684532.db2.gz UEICMJXJIRBHOF-QZTJIDSGSA-N 1 3 385.552 3.982 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OCCC(C)C ZINC000650723371 834701411 /nfs/dbraw/zinc/70/14/11/834701411.db2.gz MUWAMHWYFARQPM-SJBKTWHCSA-N 1 3 390.568 3.981 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nc4ccccc4n3C3CC3)CC2)CC1 ZINC000654957066 834865880 /nfs/dbraw/zinc/86/58/80/834865880.db2.gz DDGJKARWSGIXMN-UHFFFAOYSA-N 1 3 395.551 3.506 20 0 GHADHO CC1CCN([C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c2cccs2)CC1 ZINC000431570848 834932941 /nfs/dbraw/zinc/93/29/41/834932941.db2.gz MTYZUVUFEPPDGB-RBUKOAKNSA-N 1 3 377.598 3.902 20 0 GHADHO CC1CCN([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000431570848 834932948 /nfs/dbraw/zinc/93/29/48/834932948.db2.gz MTYZUVUFEPPDGB-RBUKOAKNSA-N 1 3 377.598 3.902 20 0 GHADHO Cc1cccn2cc(COc3ccc(CN(C)[C@@H]4CC[N@@H+](C)C[C@H]4C)cc3)nc12 ZINC000685470406 835033457 /nfs/dbraw/zinc/03/34/57/835033457.db2.gz MQUIAQIRRWBTEK-AUSIDOKSSA-N 1 3 392.547 3.994 20 0 GHADHO Cc1cccn2cc(COc3ccc(CN(C)[C@@H]4CC[N@H+](C)C[C@H]4C)cc3)nc12 ZINC000685470406 835033462 /nfs/dbraw/zinc/03/34/62/835033462.db2.gz MQUIAQIRRWBTEK-AUSIDOKSSA-N 1 3 392.547 3.994 20 0 GHADHO C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(-n2ccnc2)c1 ZINC000583886755 835196301 /nfs/dbraw/zinc/19/63/01/835196301.db2.gz ALVKUJQTRFODKD-YKSBVNFPSA-N 1 3 390.531 3.814 20 0 GHADHO C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(-n2ccnc2)c1 ZINC000583886755 835196305 /nfs/dbraw/zinc/19/63/05/835196305.db2.gz ALVKUJQTRFODKD-YKSBVNFPSA-N 1 3 390.531 3.814 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c(SC)c3)CC2)CC1 ZINC000655168816 835347933 /nfs/dbraw/zinc/34/79/33/835347933.db2.gz QKFLVVFBSBXEFG-UHFFFAOYSA-N 1 3 375.582 3.852 20 0 GHADHO C[C@H](NCc1ccccc1CN1CCCC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000151402971 835420633 /nfs/dbraw/zinc/42/06/33/835420633.db2.gz IDSTYIAYPGRFLM-IBGZPJMESA-N 1 3 395.547 3.600 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142204 835453857 /nfs/dbraw/zinc/45/38/57/835453857.db2.gz DMBWYDZFJFSNHP-HNAYVOBHSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142204 835453863 /nfs/dbraw/zinc/45/38/63/835453863.db2.gz DMBWYDZFJFSNHP-HNAYVOBHSA-N 1 3 376.447 3.705 20 0 GHADHO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163711 835479956 /nfs/dbraw/zinc/47/99/56/835479956.db2.gz ADEZAXNJVRPTMX-QGZVFWFLSA-N 1 3 396.535 3.611 20 0 GHADHO COc1cc2c(cc1OC)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000658168468 835483414 /nfs/dbraw/zinc/48/34/14/835483414.db2.gz XIYRBEQFPQQXNC-NRFANRHFSA-N 1 3 381.520 3.588 20 0 GHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000584223331 835784302 /nfs/dbraw/zinc/78/43/02/835784302.db2.gz BYUNYGXQYWWATL-QHCPKHFHSA-N 1 3 385.596 3.520 20 0 GHADHO C[C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000471217801 835932622 /nfs/dbraw/zinc/93/26/22/835932622.db2.gz DEHLNGIFTQLWDF-LJQANCHMSA-N 1 3 397.538 3.847 20 0 GHADHO C[C@@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000584468043 836035241 /nfs/dbraw/zinc/03/52/41/836035241.db2.gz VQWRLPKQROEKJA-KNQAVFIVSA-N 1 3 379.548 3.836 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000151005943 844222060 /nfs/dbraw/zinc/22/20/60/844222060.db2.gz IEWXXGBFLYWKOE-QGZVFWFLSA-N 1 3 379.976 3.961 20 0 GHADHO CSc1ccccc1[C@@H](C)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414340383 837225689 /nfs/dbraw/zinc/22/56/89/837225689.db2.gz NALSAWSLJSGMCC-QGZVFWFLSA-N 1 3 397.588 3.957 20 0 GHADHO CSc1ccccc1[C@H](C)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414340381 837226159 /nfs/dbraw/zinc/22/61/59/837226159.db2.gz NALSAWSLJSGMCC-KRWDZBQOSA-N 1 3 397.588 3.957 20 0 GHADHO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000655831860 837997533 /nfs/dbraw/zinc/99/75/33/837997533.db2.gz MCIWMLPPKSJJLJ-AKIFATBCSA-N 1 3 397.607 3.914 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000659285401 838202278 /nfs/dbraw/zinc/20/22/78/838202278.db2.gz OBNSLRLTGQFZLV-MBSDFSHPSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000659285401 838202289 /nfs/dbraw/zinc/20/22/89/838202289.db2.gz OBNSLRLTGQFZLV-MBSDFSHPSA-N 1 3 377.532 3.912 20 0 GHADHO COc1ccc([C@@H](CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)N2CCCCC2)cc1 ZINC000659288790 838220495 /nfs/dbraw/zinc/22/04/95/838220495.db2.gz RMOYIZWGWGOJRL-XZOQPEGZSA-N 1 3 393.531 3.573 20 0 GHADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000151134258 838258626 /nfs/dbraw/zinc/25/86/26/838258626.db2.gz BKCTVKKASHSEDS-GJZGRUSLSA-N 1 3 387.446 3.624 20 0 GHADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000151134258 838258634 /nfs/dbraw/zinc/25/86/34/838258634.db2.gz BKCTVKKASHSEDS-GJZGRUSLSA-N 1 3 387.446 3.624 20 0 GHADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000151134258 838258647 /nfs/dbraw/zinc/25/86/47/838258647.db2.gz BKCTVKKASHSEDS-GJZGRUSLSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659323200 838287011 /nfs/dbraw/zinc/28/70/11/838287011.db2.gz DSJICPIAVJYCIJ-XXBNENTESA-N 1 3 391.559 3.802 20 0 GHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000415931335 838288279 /nfs/dbraw/zinc/28/82/79/838288279.db2.gz KSUMCYQXHLMJTC-JOCHJYFZSA-N 1 3 396.535 3.763 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccsc1 ZINC000659433834 838385493 /nfs/dbraw/zinc/38/54/93/838385493.db2.gz GPGYOYWWTFICGX-ICSRJNTNSA-N 1 3 392.613 3.552 20 0 GHADHO CC[NH+]1CCC(NC[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000580304703 839214990 /nfs/dbraw/zinc/21/49/90/839214990.db2.gz TWWQZSTWDSDITP-VWNXMTODSA-N 1 3 382.548 3.536 20 0 GHADHO C[C@H](CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)c1cccc(Br)c1 ZINC000415116530 839227373 /nfs/dbraw/zinc/22/73/73/839227373.db2.gz BOIZQNOEKKARNT-MDASCCDHSA-N 1 3 381.358 3.771 20 0 GHADHO C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000378572618 839350718 /nfs/dbraw/zinc/35/07/18/839350718.db2.gz PLBPSYLLXZSUQE-NQIIRXRSSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@@H](NCCc1nnc(-c2ccccc2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378572618 839350730 /nfs/dbraw/zinc/35/07/30/839350730.db2.gz PLBPSYLLXZSUQE-NQIIRXRSSA-N 1 3 376.504 3.779 20 0 GHADHO C[C@@H](NCCc1nnc(-c2ccccc2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378572618 839350746 /nfs/dbraw/zinc/35/07/46/839350746.db2.gz PLBPSYLLXZSUQE-NQIIRXRSSA-N 1 3 376.504 3.779 20 0 GHADHO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000580696679 840026772 /nfs/dbraw/zinc/02/67/72/840026772.db2.gz DSRGHPDDRPTPEH-BHDDXSALSA-N 1 3 378.520 3.573 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)N(C)C)cc1 ZINC000416831295 840209361 /nfs/dbraw/zinc/20/93/61/840209361.db2.gz AVIBCCMCCAHDJI-FGZHOGPDSA-N 1 3 382.552 3.631 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000178390951 840652669 /nfs/dbraw/zinc/65/26/69/840652669.db2.gz LAGSAOVWQWBRAA-SIKLNZKXSA-N 1 3 385.552 3.988 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000178390951 840652678 /nfs/dbraw/zinc/65/26/78/840652678.db2.gz LAGSAOVWQWBRAA-SIKLNZKXSA-N 1 3 385.552 3.988 20 0 GHADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CNCc2ccccc21 ZINC000563063167 840660052 /nfs/dbraw/zinc/66/00/52/840660052.db2.gz NFANZZHOUVPUCV-QHCPKHFHSA-N 1 3 377.532 3.566 20 0 GHADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581208225 840851573 /nfs/dbraw/zinc/85/15/73/840851573.db2.gz KFFFKALONPOIBW-MJGOQNOKSA-N 1 3 385.939 3.713 20 0 GHADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000581208225 840851582 /nfs/dbraw/zinc/85/15/82/840851582.db2.gz KFFFKALONPOIBW-MJGOQNOKSA-N 1 3 385.939 3.713 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000544143132 840947068 /nfs/dbraw/zinc/94/70/68/840947068.db2.gz YQGYTMVQYLFDOL-AEFFLSMTSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000544143132 840947076 /nfs/dbraw/zinc/94/70/76/840947076.db2.gz YQGYTMVQYLFDOL-AEFFLSMTSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000544143132 840947081 /nfs/dbraw/zinc/94/70/81/840947081.db2.gz YQGYTMVQYLFDOL-AEFFLSMTSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000544143132 840947091 /nfs/dbraw/zinc/94/70/91/840947091.db2.gz YQGYTMVQYLFDOL-AEFFLSMTSA-N 1 3 381.358 3.806 20 0 GHADHO Cc1ccc(-c2nn(C)cc2CNCc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000647182082 842241000 /nfs/dbraw/zinc/24/10/00/842241000.db2.gz HCTODSWCJVLOTN-UHFFFAOYSA-N 1 3 394.519 3.753 20 0 GHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423192 842451726 /nfs/dbraw/zinc/45/17/26/842451726.db2.gz WXJAOHADNHDIKB-MOPGFXCFSA-N 1 3 390.572 3.712 20 0 GHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423192 842451732 /nfs/dbraw/zinc/45/17/32/842451732.db2.gz WXJAOHADNHDIKB-MOPGFXCFSA-N 1 3 390.572 3.712 20 0 GHADHO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000606409483 842624054 /nfs/dbraw/zinc/62/40/54/842624054.db2.gz ZFVQKISCBKBCMJ-XUZZJYLKSA-N 1 3 397.607 3.807 20 0 GHADHO O=C(NC[C@H]1CCCCN1Cc1cccc2c1CC[NH2+]C2)Nc1ccccc1 ZINC000662251156 843010865 /nfs/dbraw/zinc/01/08/65/843010865.db2.gz AEJJNBWFWRRPTN-OAQYLSRUSA-N 1 3 378.520 3.509 20 0 GHADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000662283963 843069658 /nfs/dbraw/zinc/06/96/58/843069658.db2.gz WJYUPPKKQUUPNL-KRWDZBQOSA-N 1 3 386.499 3.830 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccccc2OCc2ccncc2)C[C@H](C)O1 ZINC000062252856 843096835 /nfs/dbraw/zinc/09/68/35/843096835.db2.gz VMHVWWNWTSEQBC-PMACEKPBSA-N 1 3 383.536 3.640 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000662388693 843169672 /nfs/dbraw/zinc/16/96/72/843169672.db2.gz SJDJSJVZYFXUFD-MBSDFSHPSA-N 1 3 377.532 3.912 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000662388693 843169678 /nfs/dbraw/zinc/16/96/78/843169678.db2.gz SJDJSJVZYFXUFD-MBSDFSHPSA-N 1 3 377.532 3.912 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418657148 843506800 /nfs/dbraw/zinc/50/68/00/843506800.db2.gz GSYUXEUKQOYUFT-QHCPKHFHSA-N 1 3 394.563 3.773 20 0 GHADHO CN(C)C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000549617316 843715914 /nfs/dbraw/zinc/71/59/14/843715914.db2.gz LMTHBSNWEQTVPQ-NRFANRHFSA-N 1 3 385.939 3.969 20 0 GHADHO C[C@H](C1CC1)N(C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000433212548 843861335 /nfs/dbraw/zinc/86/13/35/843861335.db2.gz JUBBPBZDEOACBM-HXUWFJFHSA-N 1 3 395.591 3.764 20 0 GHADHO CN1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000179102928 861470312 /nfs/dbraw/zinc/47/03/12/861470312.db2.gz BZEHIXAWUKCRNC-PKTZIBPZSA-N 1 3 392.547 3.527 20 0 GHADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCCN2C2CCCC2)cc1F ZINC000458273178 844776036 /nfs/dbraw/zinc/77/60/36/844776036.db2.gz AFFGSXRREBTKOZ-LJQANCHMSA-N 1 3 377.504 3.502 20 0 GHADHO Cc1noc(C[C@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c2ccccc2)n1 ZINC000277151898 844870772 /nfs/dbraw/zinc/87/07/72/844870772.db2.gz QHTRALLADXZZHJ-VGSWGCGISA-N 1 3 394.519 3.953 20 0 GHADHO C[C@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236659916 845164108 /nfs/dbraw/zinc/16/41/08/845164108.db2.gz FGIMXQKOTBQXPX-IEBWSBKVSA-N 1 3 377.598 3.663 20 0 GHADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000179509016 861608467 /nfs/dbraw/zinc/60/84/67/861608467.db2.gz OKXMYSRIYCYTMP-AWEZNQCLSA-N 1 3 378.314 3.635 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2ccnn2-c2ccncc2)C1 ZINC000657311800 846040675 /nfs/dbraw/zinc/04/06/75/846040675.db2.gz VNAZPQSWNVFTAO-LJQANCHMSA-N 1 3 375.520 3.789 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccnn2-c2ccncc2)C1 ZINC000657311800 846040679 /nfs/dbraw/zinc/04/06/79/846040679.db2.gz VNAZPQSWNVFTAO-LJQANCHMSA-N 1 3 375.520 3.789 20 0 GHADHO CC1CC[NH+](CCCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000502806395 846489518 /nfs/dbraw/zinc/48/95/18/846489518.db2.gz YIUDLYXKYHGPRW-LJQANCHMSA-N 1 3 392.613 3.696 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000501011909 846540048 /nfs/dbraw/zinc/54/00/48/846540048.db2.gz SVFRCXCIEXURNC-IBGZPJMESA-N 1 3 383.502 3.911 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000501011909 846540058 /nfs/dbraw/zinc/54/00/58/846540058.db2.gz SVFRCXCIEXURNC-IBGZPJMESA-N 1 3 383.502 3.911 20 0 GHADHO Cc1ccc(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000501046188 846573045 /nfs/dbraw/zinc/57/30/45/846573045.db2.gz LNZXMAKAECNQLP-IBGZPJMESA-N 1 3 380.536 3.874 20 0 GHADHO CC(C)CCn1cccc1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414556064 846636282 /nfs/dbraw/zinc/63/62/82/846636282.db2.gz NEOMSFOSEIDBIX-UHFFFAOYSA-N 1 3 396.579 3.521 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)N(C)C)cc1 ZINC000604083537 861739242 /nfs/dbraw/zinc/73/92/42/861739242.db2.gz OUJCXFCZONGAKQ-PKTZIBPZSA-N 1 3 394.563 3.562 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)N(C)C)cc1 ZINC000604083537 861739250 /nfs/dbraw/zinc/73/92/50/861739250.db2.gz OUJCXFCZONGAKQ-PKTZIBPZSA-N 1 3 394.563 3.562 20 0 GHADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000501663266 847083800 /nfs/dbraw/zinc/08/38/00/847083800.db2.gz AUSQKLSTLHGSRZ-LEWJYISDSA-N 1 3 397.567 3.744 20 0 GHADHO C[C@@H](Nc1ccccc1CN1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272753654 847163494 /nfs/dbraw/zinc/16/34/94/847163494.db2.gz KDCUMNMFJTWBKA-IFMALSPDSA-N 1 3 393.575 3.966 20 0 GHADHO C[C@@H](Nc1ccccc1CN1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272753654 847163499 /nfs/dbraw/zinc/16/34/99/847163499.db2.gz KDCUMNMFJTWBKA-IFMALSPDSA-N 1 3 393.575 3.966 20 0 GHADHO COc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000272902205 847203142 /nfs/dbraw/zinc/20/31/42/847203142.db2.gz KKJJUKZYGWUUNK-AVRDEDQJSA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000272902205 847203152 /nfs/dbraw/zinc/20/31/52/847203152.db2.gz KKJJUKZYGWUUNK-AVRDEDQJSA-N 1 3 395.547 3.552 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](OC)c3ccc(Cl)cc3)CC2)CC1 ZINC000420976796 847604454 /nfs/dbraw/zinc/60/44/54/847604454.db2.gz HFCHUNRMXYKGTQ-OAQYLSRUSA-N 1 3 379.976 3.520 20 0 GHADHO CCN1CCC([N@H+]2CCCN(C[C@@H](OC)c3ccc(Cl)cc3)CC2)CC1 ZINC000420976796 847604459 /nfs/dbraw/zinc/60/44/59/847604459.db2.gz HFCHUNRMXYKGTQ-OAQYLSRUSA-N 1 3 379.976 3.520 20 0 GHADHO [NH3+][C@@H]1CCCCC[C@H]1NCCSCCOc1cccc(Br)c1 ZINC000422719279 847795020 /nfs/dbraw/zinc/79/50/20/847795020.db2.gz YHMWEDWXGVYEPL-IAGOWNOFSA-N 1 3 387.387 3.811 20 0 GHADHO COc1ccc([C@H](NC2CCN(Cc3ccc(F)cc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422725495 847798458 /nfs/dbraw/zinc/79/84/58/847798458.db2.gz YCTLIWUAZPYTHQ-RPWUZVMVSA-N 1 3 397.538 3.882 20 0 GHADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422796269 847825755 /nfs/dbraw/zinc/82/57/55/847825755.db2.gz YABVNJQLRPLIDU-KNXBSLHKSA-N 1 3 394.494 3.520 20 0 GHADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(C(F)(F)F)c1 ZINC000422840053 847849770 /nfs/dbraw/zinc/84/97/70/847849770.db2.gz SBLVNUYAOBOHIQ-XGXHKWSGSA-N 1 3 386.458 3.610 20 0 GHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422876276 847877031 /nfs/dbraw/zinc/87/70/31/847877031.db2.gz FKPZTFCHNJEIEM-YJBOKZPZSA-N 1 3 381.358 3.604 20 0 GHADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422902508 847879018 /nfs/dbraw/zinc/87/90/18/847879018.db2.gz DOCSAIHKVRZAHO-WJFTUGDTSA-N 1 3 377.960 3.828 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423067160 847959610 /nfs/dbraw/zinc/95/96/10/847959610.db2.gz YQUQFXFPGKJLFE-GOEBONIOSA-N 1 3 378.442 3.797 20 0 GHADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423068741 847960498 /nfs/dbraw/zinc/96/04/98/847960498.db2.gz KWKAKXCZVOITOM-GHJWDPDVSA-N 1 3 376.850 3.732 20 0 GHADHO Fc1cc(Br)cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657613936 848342983 /nfs/dbraw/zinc/34/29/83/848342983.db2.gz XQRYLINFNMYKPL-UHFFFAOYSA-N 1 3 392.316 3.985 20 0 GHADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604206437 861990678 /nfs/dbraw/zinc/99/06/78/861990678.db2.gz QDQLEPLGTSSMDN-NRFANRHFSA-N 1 3 386.584 3.729 20 0 GHADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604206437 861990690 /nfs/dbraw/zinc/99/06/90/861990690.db2.gz QDQLEPLGTSSMDN-NRFANRHFSA-N 1 3 386.584 3.729 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)N(CC)CC[NH+]1CCCCCC1)c1ccco1 ZINC000509595632 850113775 /nfs/dbraw/zinc/11/37/75/850113775.db2.gz IILNHYWDVXBGNL-MOPGFXCFSA-N 1 3 378.561 3.616 20 0 GHADHO O[C@H](CNCc1ccccc1C[NH+]1CCCCC1)COc1cccc2[nH]ccc21 ZINC000514856075 850392498 /nfs/dbraw/zinc/39/24/98/850392498.db2.gz QAAADMLBTLDMQL-OAQYLSRUSA-N 1 3 393.531 3.683 20 0 GHADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC(OCCC[NH3+])CC1 ZINC000435387486 850453039 /nfs/dbraw/zinc/45/30/39/850453039.db2.gz AJVWCGTWXWVVFE-UHFFFAOYSA-N 1 3 390.959 3.531 20 0 GHADHO COc1cc(CN2CCC(OCCC[NH3+])CC2)ccc1OCc1ccccc1 ZINC000435392783 850459397 /nfs/dbraw/zinc/45/93/97/850459397.db2.gz XRASOUZRMBAPAB-UHFFFAOYSA-N 1 3 384.520 3.604 20 0 GHADHO Cc1cc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c(Cl)cc1F ZINC000487267356 850628008 /nfs/dbraw/zinc/62/80/08/850628008.db2.gz KKLVQLLYBOBTFY-UHFFFAOYSA-N 1 3 396.938 3.859 20 0 GHADHO COc1ccc(Cn2nc(C)c(CNCc3ccc([C@@H](C)[NH3+])cc3)c2C)cc1 ZINC000414812663 850686545 /nfs/dbraw/zinc/68/65/45/850686545.db2.gz LFEKZXBYRQSLEZ-MRXNPFEDSA-N 1 3 378.520 3.866 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000513885757 850972995 /nfs/dbraw/zinc/97/29/95/850972995.db2.gz XDZRPELRPQYCMH-QHCPKHFHSA-N 1 3 398.595 3.777 20 0 GHADHO CC(C)(C)N1CCc2nc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)sc2C1 ZINC000425075489 851044751 /nfs/dbraw/zinc/04/47/51/851044751.db2.gz DQUCIJQTXBJPSI-INIZCTEOSA-N 1 3 376.570 3.645 20 0 GHADHO CC(C)(C)N1CCc2nc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)sc2C1 ZINC000425075489 851044755 /nfs/dbraw/zinc/04/47/55/851044755.db2.gz DQUCIJQTXBJPSI-INIZCTEOSA-N 1 3 376.570 3.645 20 0 GHADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC000514227431 851426818 /nfs/dbraw/zinc/42/68/18/851426818.db2.gz ZVDUPEQEVKHKMW-IBGZPJMESA-N 1 3 380.602 3.552 20 0 GHADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1)N1CCCCC1 ZINC000436313364 851448597 /nfs/dbraw/zinc/44/85/97/851448597.db2.gz LQPUGKUJWIZODC-URYYLNOGSA-N 1 3 395.591 3.668 20 0 GHADHO COc1ccc(Br)cc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167960769 851560557 /nfs/dbraw/zinc/56/05/57/851560557.db2.gz BXGSFKLFLOTGSF-YQQQUEKLSA-N 1 3 393.369 3.995 20 0 GHADHO COc1ccc(Br)cc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960769 851560562 /nfs/dbraw/zinc/56/05/62/851560562.db2.gz BXGSFKLFLOTGSF-YQQQUEKLSA-N 1 3 393.369 3.995 20 0 GHADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CS1 ZINC000488543118 851599496 /nfs/dbraw/zinc/59/94/96/851599496.db2.gz LGEZVLNXUITRBC-PMACEKPBSA-N 1 3 389.609 3.522 20 0 GHADHO F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@@H]1CCCCN(Cc3ccccc3)C1)OCCO2 ZINC000894554389 851700673 /nfs/dbraw/zinc/70/06/73/851700673.db2.gz AUUGXIADYLHRFH-HBMCJLEFSA-N 1 3 376.516 3.512 20 0 GHADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000111836563 851940567 /nfs/dbraw/zinc/94/05/67/851940567.db2.gz UNAKRLAHSZIPLX-JOCHJYFZSA-N 1 3 386.584 3.632 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167962431 852042679 /nfs/dbraw/zinc/04/26/79/852042679.db2.gz XSMSXKXQWOKRBV-LJRDSGNISA-N 1 3 377.573 3.817 20 0 GHADHO c1[nH]nc2c1cccc2CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550269151 852228258 /nfs/dbraw/zinc/22/82/58/852228258.db2.gz BLVBGRXYJUUOJG-QFIPXVFZSA-N 1 3 390.531 3.581 20 0 GHADHO c1[nH]nc2c1cccc2CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550269151 852228264 /nfs/dbraw/zinc/22/82/64/852228264.db2.gz BLVBGRXYJUUOJG-QFIPXVFZSA-N 1 3 390.531 3.581 20 0 GHADHO c1[nH]nc2c1cccc2C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550269151 852228275 /nfs/dbraw/zinc/22/82/75/852228275.db2.gz BLVBGRXYJUUOJG-QFIPXVFZSA-N 1 3 390.531 3.581 20 0 GHADHO CCN(CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)CCC(F)(F)F ZINC000426037393 852481292 /nfs/dbraw/zinc/48/12/92/852481292.db2.gz UUAJUVBYDWMLOC-HSALFYBXSA-N 1 3 383.502 3.761 20 0 GHADHO CCN(CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)CCC(F)(F)F ZINC000426037393 852481296 /nfs/dbraw/zinc/48/12/96/852481296.db2.gz UUAJUVBYDWMLOC-HSALFYBXSA-N 1 3 383.502 3.761 20 0 GHADHO CCN(CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)CCC(F)(F)F ZINC000426037393 852481302 /nfs/dbraw/zinc/48/13/02/852481302.db2.gz UUAJUVBYDWMLOC-HSALFYBXSA-N 1 3 383.502 3.761 20 0 GHADHO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000516467761 852618725 /nfs/dbraw/zinc/61/87/25/852618725.db2.gz IRRIVXVMBGZXMU-MZKRTTBSSA-N 1 3 393.531 3.697 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598799 852781570 /nfs/dbraw/zinc/78/15/70/852781570.db2.gz HYVNMHDSEDRKEM-WXFUMESZSA-N 1 3 397.607 3.541 20 0 GHADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CNCc2ccccc21 ZINC000516766617 852976721 /nfs/dbraw/zinc/97/67/21/852976721.db2.gz OQBOXIMYRFELRU-QHCPKHFHSA-N 1 3 377.532 3.566 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167986446 853085015 /nfs/dbraw/zinc/08/50/15/853085015.db2.gz FHYDTOJCIBFYTH-QNLWVQNGSA-N 1 3 389.584 3.725 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167986446 853085024 /nfs/dbraw/zinc/08/50/24/853085024.db2.gz FHYDTOJCIBFYTH-QNLWVQNGSA-N 1 3 389.584 3.725 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](c4ccccc4)C[C@@H]3C)CC2)CC1 ZINC000519700700 853385536 /nfs/dbraw/zinc/38/55/36/853385536.db2.gz GHXNNEHZXOCMAD-UGKGYDQZSA-N 1 3 383.580 3.587 20 0 GHADHO CN(C(=O)NCCCCC[NH+]1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000458853820 853421774 /nfs/dbraw/zinc/42/17/74/853421774.db2.gz OZWROXDEYIJTQQ-QFIPXVFZSA-N 1 3 386.584 3.559 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3(N4CCOCC4)CCCC3)cc2)C1 ZINC000519845698 853539071 /nfs/dbraw/zinc/53/90/71/853539071.db2.gz JUXHMJJSLLJYSW-HXUWFJFHSA-N 1 3 399.579 3.892 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3(N4CCOCC4)CCCC3)cc2)C1 ZINC000519845698 853539079 /nfs/dbraw/zinc/53/90/79/853539079.db2.gz JUXHMJJSLLJYSW-HXUWFJFHSA-N 1 3 399.579 3.892 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000517248845 853566572 /nfs/dbraw/zinc/56/65/72/853566572.db2.gz FNAXMQJGHHYGJX-YGOYIFOWSA-N 1 3 391.559 3.794 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998536 853650107 /nfs/dbraw/zinc/65/01/07/853650107.db2.gz ICTZAUNZQPDNJA-QOFIPBISSA-N 1 3 381.539 3.944 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168377746 853680620 /nfs/dbraw/zinc/68/06/20/853680620.db2.gz HDWUQSOETKCWPW-DENIHFKCSA-N 1 3 395.563 3.532 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168377746 853680623 /nfs/dbraw/zinc/68/06/23/853680623.db2.gz HDWUQSOETKCWPW-DENIHFKCSA-N 1 3 395.563 3.532 20 0 GHADHO CN1CCN(CC[NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1(C)C ZINC000441337799 854104455 /nfs/dbraw/zinc/10/44/55/854104455.db2.gz RWIPEWFXFUKRIW-UHFFFAOYSA-N 1 3 385.527 3.520 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)CC1 ZINC000050799079 854359086 /nfs/dbraw/zinc/35/90/86/854359086.db2.gz SJFBJRDINJUGSX-UHFFFAOYSA-N 1 3 389.543 3.546 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]2C1 ZINC001167995185 854430837 /nfs/dbraw/zinc/43/08/37/854430837.db2.gz YJHXKRGKMLWYSF-APISQKPESA-N 1 3 389.584 3.581 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]2C1 ZINC001167995185 854430841 /nfs/dbraw/zinc/43/08/41/854430841.db2.gz YJHXKRGKMLWYSF-APISQKPESA-N 1 3 389.584 3.581 20 0 GHADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C[NH+]1CCCC1 ZINC000303011347 856000698 /nfs/dbraw/zinc/00/06/98/856000698.db2.gz WZEXUSVAMHHEGS-OALUTQOASA-N 1 3 392.613 3.552 20 0 GHADHO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000591582340 856164158 /nfs/dbraw/zinc/16/41/58/856164158.db2.gz JFBPKHFKDYYUAG-YOEHRIQHSA-N 1 3 398.332 3.877 20 0 GHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427708967 856619852 /nfs/dbraw/zinc/61/98/52/856619852.db2.gz DZNMOKIWPOEMFR-SLFFLAALSA-N 1 3 397.485 3.835 20 0 GHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000499507511 857051612 /nfs/dbraw/zinc/05/16/12/857051612.db2.gz JMXNVOPMMIXSDP-QGZVFWFLSA-N 1 3 387.499 3.574 20 0 GHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675490718 857458324 /nfs/dbraw/zinc/45/83/24/857458324.db2.gz UIUQXRCEFDYUCW-OAQYLSRUSA-N 1 3 395.547 3.888 20 0 GHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675490718 857458327 /nfs/dbraw/zinc/45/83/27/857458327.db2.gz UIUQXRCEFDYUCW-OAQYLSRUSA-N 1 3 395.547 3.888 20 0 GHADHO C[C@H]1C[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000486225185 857553237 /nfs/dbraw/zinc/55/32/37/857553237.db2.gz BQGOWEDTFORRML-RBBKRZOGSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H]1C[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000486225185 857553247 /nfs/dbraw/zinc/55/32/47/857553247.db2.gz BQGOWEDTFORRML-RBBKRZOGSA-N 1 3 398.595 3.699 20 0 GHADHO CCOc1ccc([C@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OCC ZINC000675881491 857659258 /nfs/dbraw/zinc/65/92/58/857659258.db2.gz MEQSXSZIDMYZDO-PXNSSMCTSA-N 1 3 376.541 3.778 20 0 GHADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CNCc2ccccc21 ZINC000521231454 857772564 /nfs/dbraw/zinc/77/25/64/857772564.db2.gz MJNXBAPZFGSKLC-HSZRJFAPSA-N 1 3 377.532 3.566 20 0 GHADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cccc(CN2CCCC2)c1 ZINC000065893598 857872927 /nfs/dbraw/zinc/87/29/27/857872927.db2.gz GZERJTGUZLIELJ-UHFFFAOYSA-N 1 3 383.511 3.626 20 0 GHADHO FC(F)(F)c1ccc(Cn2cc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000521436298 857994443 /nfs/dbraw/zinc/99/44/43/857994443.db2.gz RMXATUVCVNOKAD-LJQANCHMSA-N 1 3 392.469 3.772 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000486708509 858013025 /nfs/dbraw/zinc/01/30/25/858013025.db2.gz JZPCPSAMUFXBBF-UPVQGACJSA-N 1 3 391.559 3.875 20 0 GHADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000486708509 858013034 /nfs/dbraw/zinc/01/30/34/858013034.db2.gz JZPCPSAMUFXBBF-UPVQGACJSA-N 1 3 391.559 3.875 20 0 GHADHO CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCCCC1 ZINC000521462446 858018381 /nfs/dbraw/zinc/01/83/81/858018381.db2.gz MBYNVAASRIDHIV-OAQYLSRUSA-N 1 3 389.609 3.727 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2cccc(Br)c21 ZINC000442879441 858201325 /nfs/dbraw/zinc/20/13/25/858201325.db2.gz VZEPYVLGGQIYRD-WMLDXEAASA-N 1 3 380.374 3.613 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142759 858298473 /nfs/dbraw/zinc/29/84/73/858298473.db2.gz YURRUGAUTHUQQF-TYPHKJRUSA-N 1 3 398.551 3.625 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142759 858298479 /nfs/dbraw/zinc/29/84/79/858298479.db2.gz YURRUGAUTHUQQF-TYPHKJRUSA-N 1 3 398.551 3.625 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](NCc2ccnn2-c2cc[nH+]cc2)c2ccccc21 ZINC000594944757 858341721 /nfs/dbraw/zinc/34/17/21/858341721.db2.gz BTQWYZLTTYZMRZ-RTWAWAEBSA-N 1 3 390.487 3.927 20 0 GHADHO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(Nc2ccncc2)cc1 ZINC000605424332 863022295 /nfs/dbraw/zinc/02/22/95/863022295.db2.gz PJIQQDUSJFVDHP-QHCPKHFHSA-N 1 3 386.499 3.814 20 0 GHADHO CN1CCN(c2cc(C[NH2+]Cc3ccc(-c4c(F)cccc4F)o3)ccn2)CC1 ZINC000115612341 858588174 /nfs/dbraw/zinc/58/81/74/858588174.db2.gz LNLQRVFAHGAJMK-UHFFFAOYSA-N 1 3 398.457 3.661 20 0 GHADHO C[NH+]1CCN(c2cc(CNCc3ccc(-c4c(F)cccc4F)o3)ccn2)CC1 ZINC000115612341 858588179 /nfs/dbraw/zinc/58/81/79/858588179.db2.gz LNLQRVFAHGAJMK-UHFFFAOYSA-N 1 3 398.457 3.661 20 0 GHADHO Cc1sc([C@@H](C)NC[C@@H]2CC3(C[NH2+]C3)CO2)nc1-c1ccc(Cl)cc1 ZINC000923376915 859261042 /nfs/dbraw/zinc/26/10/42/859261042.db2.gz GNAUTQSNPDHJQT-WBMJQRKESA-N 1 3 377.941 3.801 20 0 GHADHO c1cc(-c2nc(CNCC3CC[NH+](C4CCOCC4)CC3)cs2)cs1 ZINC000657534535 859314064 /nfs/dbraw/zinc/31/40/64/859314064.db2.gz ASRAFBHPWAJXSS-UHFFFAOYSA-N 1 3 377.579 3.852 20 0 GHADHO COc1ccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1SC(F)(F)F ZINC000923450912 859328707 /nfs/dbraw/zinc/32/87/07/859328707.db2.gz YDWKNXNEUJQRHN-CQSZACIVSA-N 1 3 390.471 3.637 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4ccccc4)CCCCC3)CC2)CC1 ZINC000114024525 859453523 /nfs/dbraw/zinc/45/35/23/859453523.db2.gz YWLZKXOGJLRLRC-UHFFFAOYSA-N 1 3 398.595 3.704 20 0 GHADHO C[C@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[N@H+](C)Cc1ccccc1 ZINC000114274542 859521676 /nfs/dbraw/zinc/52/16/76/859521676.db2.gz PQXCRMCOWBKPKV-QGZVFWFLSA-N 1 3 379.504 3.745 20 0 GHADHO C[C@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000114274542 859521685 /nfs/dbraw/zinc/52/16/85/859521685.db2.gz PQXCRMCOWBKPKV-QGZVFWFLSA-N 1 3 379.504 3.745 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000483720676 859558812 /nfs/dbraw/zinc/55/88/12/859558812.db2.gz GLVWEFSYGKFXHH-BPBCIEFSSA-N 1 3 393.641 3.858 20 0 GHADHO Cc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c(N2CCOCC2)c1 ZINC000484289908 859926646 /nfs/dbraw/zinc/92/66/46/859926646.db2.gz CJHPZEBHODIGQQ-FQEVSTJZSA-N 1 3 397.563 3.623 20 0 GHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000474468075 860150014 /nfs/dbraw/zinc/15/00/14/860150014.db2.gz HBIFMOXQCHIVQE-WOJBJXKFSA-N 1 3 381.564 3.724 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3ccc(C4CC4)cc3)CC2)CC1 ZINC000896004656 860228615 /nfs/dbraw/zinc/22/86/15/860228615.db2.gz JRCNPIXCUIANPO-UHFFFAOYSA-N 1 3 383.580 3.562 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccccc3-c3ccnn3C)CC2)C[C@H](C)O1 ZINC000508961249 860284098 /nfs/dbraw/zinc/28/40/98/860284098.db2.gz ADSMQKZECVUWJO-BGYRXZFFSA-N 1 3 396.579 3.798 20 0 GHADHO COc1c(C)cnc(CN2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1C ZINC000856598908 881572202 /nfs/dbraw/zinc/57/22/02/881572202.db2.gz CSSQOJZZESCHOJ-NRFANRHFSA-N 1 3 398.551 3.596 20 0 GHADHO COc1c(C)cnc(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C ZINC000856598908 881572212 /nfs/dbraw/zinc/57/22/12/881572212.db2.gz CSSQOJZZESCHOJ-NRFANRHFSA-N 1 3 398.551 3.596 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C[C@H](C)O1 ZINC000598965550 860693429 /nfs/dbraw/zinc/69/34/29/860693429.db2.gz YOUIGVMGNSPSNF-HOTGVXAUSA-N 1 3 382.570 3.682 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccc(Cl)cc1 ZINC000509052997 860699789 /nfs/dbraw/zinc/69/97/89/860699789.db2.gz SFVXQOMJJVWGNI-HXUWFJFHSA-N 1 3 394.991 3.895 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182230893 863157542 /nfs/dbraw/zinc/15/75/42/863157542.db2.gz WGIVVRWNPRHXOR-GGAORHGYSA-N 1 3 380.532 3.955 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182230893 863157556 /nfs/dbraw/zinc/15/75/56/863157556.db2.gz WGIVVRWNPRHXOR-GGAORHGYSA-N 1 3 380.532 3.955 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CSCCc2ccccc21 ZINC000182230866 863157978 /nfs/dbraw/zinc/15/79/78/863157978.db2.gz YWHNPGCDXSZKKU-FYYLOGMGSA-N 1 3 382.573 3.764 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CSCCc2ccccc21 ZINC000182230866 863157996 /nfs/dbraw/zinc/15/79/96/863157996.db2.gz YWHNPGCDXSZKKU-FYYLOGMGSA-N 1 3 382.573 3.764 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C[C@@H](C)O1 ZINC000132737800 881690643 /nfs/dbraw/zinc/69/06/43/881690643.db2.gz MSNOVPXDHZWYNP-IIDMSEBBSA-N 1 3 385.474 3.957 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccsc1 ZINC000042346310 863975382 /nfs/dbraw/zinc/97/53/82/863975382.db2.gz LYFWWUCVEHKECX-KRWDZBQOSA-N 1 3 380.602 3.739 20 0 GHADHO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Cl)c1Cl ZINC000159134734 864041117 /nfs/dbraw/zinc/04/11/17/864041117.db2.gz DJYNOYCWHVTECD-AWEZNQCLSA-N 1 3 379.335 3.991 20 0 GHADHO CCOC(=O)c1ncc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898516889 864072023 /nfs/dbraw/zinc/07/20/23/864072023.db2.gz CWMNJCFVQLHGRR-QYZOEREBSA-N 1 3 399.560 3.710 20 0 GHADHO CCOC(=O)c1ncc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898516889 864072036 /nfs/dbraw/zinc/07/20/36/864072036.db2.gz CWMNJCFVQLHGRR-QYZOEREBSA-N 1 3 399.560 3.710 20 0 GHADHO CCCc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000621335002 864090508 /nfs/dbraw/zinc/09/05/08/864090508.db2.gz YUMIGKBYWYYVCI-IBGZPJMESA-N 1 3 385.577 3.688 20 0 GHADHO CCCc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000621335002 864090523 /nfs/dbraw/zinc/09/05/23/864090523.db2.gz YUMIGKBYWYYVCI-IBGZPJMESA-N 1 3 385.577 3.688 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3nccc4ccccc43)CC2)cc1 ZINC000607166251 864127224 /nfs/dbraw/zinc/12/72/24/864127224.db2.gz AMAZCETWHPIFLA-UHFFFAOYSA-N 1 3 388.559 3.922 20 0 GHADHO CCSc1ccc([C@H](C)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000475134981 864272050 /nfs/dbraw/zinc/27/20/50/864272050.db2.gz DRRHJVUCYWWHHA-LAUBAEHRSA-N 1 3 385.577 3.868 20 0 GHADHO CC1(C(=O)N2CCN(C3CCCCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000165034117 864648458 /nfs/dbraw/zinc/64/84/58/864648458.db2.gz RJTBJILVEFAATM-UHFFFAOYSA-N 1 3 383.580 3.766 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]CC2CCN(c3ccccc3)CC2)CC1 ZINC000475277241 864680704 /nfs/dbraw/zinc/68/07/04/864680704.db2.gz FBHBEZBSXAETRB-UHFFFAOYSA-N 1 3 392.591 3.835 20 0 GHADHO [NH3+]CCC[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000415044933 864717439 /nfs/dbraw/zinc/71/74/39/864717439.db2.gz CDVQEFVGAWYNAP-MRXNPFEDSA-N 1 3 377.282 3.748 20 0 GHADHO COc1cc(CC[NH2+][C@@H]2CCC[C@H]2CN)cc(OC)c1OCc1ccccc1 ZINC000622044739 864720969 /nfs/dbraw/zinc/72/09/69/864720969.db2.gz QRPWNLYDXAOQKN-VQTJNVASSA-N 1 3 384.520 3.542 20 0 GHADHO Cc1cc(C[NH+](C)C)cc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000533966672 864825202 /nfs/dbraw/zinc/82/52/02/864825202.db2.gz CXJGCXOYRULBIZ-UHFFFAOYSA-N 1 3 394.563 3.598 20 0 GHADHO Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nc(N)n1 ZINC000735490555 864826834 /nfs/dbraw/zinc/82/68/34/864826834.db2.gz UGKVWIXWYMEXFO-YOEHRIQHSA-N 1 3 379.430 3.881 20 0 GHADHO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nc(N)n1 ZINC000735490555 864826854 /nfs/dbraw/zinc/82/68/54/864826854.db2.gz UGKVWIXWYMEXFO-YOEHRIQHSA-N 1 3 379.430 3.881 20 0 GHADHO Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475350060 864831109 /nfs/dbraw/zinc/83/11/09/864831109.db2.gz BMRLHLXVNAUKOK-OYRHEFFESA-N 1 3 376.479 3.780 20 0 GHADHO Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475350060 864831132 /nfs/dbraw/zinc/83/11/32/864831132.db2.gz BMRLHLXVNAUKOK-OYRHEFFESA-N 1 3 376.479 3.780 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000555210323 865725106 /nfs/dbraw/zinc/72/51/06/865725106.db2.gz BPZFQUJESDRQOB-JOCHJYFZSA-N 1 3 398.595 3.557 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000555210323 865725114 /nfs/dbraw/zinc/72/51/14/865725114.db2.gz BPZFQUJESDRQOB-JOCHJYFZSA-N 1 3 398.595 3.557 20 0 GHADHO CN(C)C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000555228646 865748354 /nfs/dbraw/zinc/74/83/54/865748354.db2.gz DAMIPYQGGVKOIK-QFIPXVFZSA-N 1 3 399.966 3.971 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)N(C)C)cc1 ZINC000553060601 866721159 /nfs/dbraw/zinc/72/11/59/866721159.db2.gz FGOCQDMGJRDHLN-KURKYZTESA-N 1 3 399.501 3.623 20 0 GHADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)N(C)C)cc1 ZINC000553060601 866721170 /nfs/dbraw/zinc/72/11/70/866721170.db2.gz FGOCQDMGJRDHLN-KURKYZTESA-N 1 3 399.501 3.623 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553143621 866874407 /nfs/dbraw/zinc/87/44/07/866874407.db2.gz QCHHXGPHKKCSJP-ZJSXRUAMSA-N 1 3 391.559 3.632 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553143621 866874428 /nfs/dbraw/zinc/87/44/28/866874428.db2.gz QCHHXGPHKKCSJP-ZJSXRUAMSA-N 1 3 391.559 3.632 20 0 GHADHO COCC[N@H+](C)CCCN[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000153765958 867065734 /nfs/dbraw/zinc/06/57/34/867065734.db2.gz QVHPULXQDPXOML-GOSISDBHSA-N 1 3 389.565 3.754 20 0 GHADHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000153765958 867065745 /nfs/dbraw/zinc/06/57/45/867065745.db2.gz QVHPULXQDPXOML-GOSISDBHSA-N 1 3 389.565 3.754 20 0 GHADHO COCCC[NH+]1CCC(N[C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479053412 867104310 /nfs/dbraw/zinc/10/43/10/867104310.db2.gz FENXIYXIOSPLEQ-LJQANCHMSA-N 1 3 381.358 3.917 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000534609880 867134007 /nfs/dbraw/zinc/13/40/07/867134007.db2.gz OZEOGNVAAIKCNW-MSYGRNIXSA-N 1 3 392.547 3.567 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000534609880 867134018 /nfs/dbraw/zinc/13/40/18/867134018.db2.gz OZEOGNVAAIKCNW-MSYGRNIXSA-N 1 3 392.547 3.567 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000154259706 867323237 /nfs/dbraw/zinc/32/32/37/867323237.db2.gz FYMQLATZXWESEP-QGZVFWFLSA-N 1 3 386.367 3.824 20 0 GHADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000620769343 867390929 /nfs/dbraw/zinc/39/09/29/867390929.db2.gz SCHACLSBQZGBNR-HSZRJFAPSA-N 1 3 394.563 3.602 20 0 GHADHO C[C@H]1C[N@H+](CCCN[C@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436410 867752581 /nfs/dbraw/zinc/75/25/81/867752581.db2.gz IOBNZPILLLMPAC-KXBFYZLASA-N 1 3 381.358 3.917 20 0 GHADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436410 867752586 /nfs/dbraw/zinc/75/25/86/867752586.db2.gz IOBNZPILLLMPAC-KXBFYZLASA-N 1 3 381.358 3.917 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258895 882149869 /nfs/dbraw/zinc/14/98/69/882149869.db2.gz IYVQQRSNEUFVPZ-IFMALSPDSA-N 1 3 383.511 3.668 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258895 882149875 /nfs/dbraw/zinc/14/98/75/882149875.db2.gz IYVQQRSNEUFVPZ-IFMALSPDSA-N 1 3 383.511 3.668 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000155807559 868114197 /nfs/dbraw/zinc/11/41/97/868114197.db2.gz UTYBHNLYMFIZQC-UHFFFAOYSA-N 1 3 397.407 3.841 20 0 GHADHO CN(C)C[C@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(F)cc1 ZINC000479759422 868482994 /nfs/dbraw/zinc/48/29/94/868482994.db2.gz NFMAKSZZRSTPDJ-FCHUYYIVSA-N 1 3 398.526 3.565 20 0 GHADHO CC(C)[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000182140188 869344328 /nfs/dbraw/zinc/34/43/28/869344328.db2.gz NGDVJHSETDDKLV-NRFANRHFSA-N 1 3 389.490 3.743 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000524923854 869793957 /nfs/dbraw/zinc/79/39/57/869793957.db2.gz CXRHJSSZHAJCIR-FPOVZHCZSA-N 1 3 388.600 3.659 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000525107180 869988450 /nfs/dbraw/zinc/98/84/50/869988450.db2.gz OUQHFKOCQPRHSO-MZKRTTBSSA-N 1 3 385.596 3.518 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000525107180 869988460 /nfs/dbraw/zinc/98/84/60/869988460.db2.gz OUQHFKOCQPRHSO-MZKRTTBSSA-N 1 3 385.596 3.518 20 0 GHADHO C[NH+](C)CCc1ccccc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000446573787 870024572 /nfs/dbraw/zinc/02/45/72/870024572.db2.gz QFPMJAZMYSAUEK-UHFFFAOYSA-N 1 3 394.563 3.749 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)cc1 ZINC000462800101 870116003 /nfs/dbraw/zinc/11/60/03/870116003.db2.gz CFLIBGBEEJQUAO-CCDWMCETSA-N 1 3 399.623 3.769 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000463007704 870653953 /nfs/dbraw/zinc/65/39/53/870653953.db2.gz GWBLBEHTHQCHFN-XXBNENTESA-N 1 3 398.595 3.603 20 0 GHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168808472 870859594 /nfs/dbraw/zinc/85/95/94/870859594.db2.gz RNLBEDGUINEIFY-WHCFWRGISA-N 1 3 399.579 3.885 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CCN1Cc1ccccc1 ZINC000463134447 870979365 /nfs/dbraw/zinc/97/93/65/870979365.db2.gz ZLQKGKYZVYNSMD-BWKNWUBXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@@H](NCc2cccc(CN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134447 870979372 /nfs/dbraw/zinc/97/93/72/870979372.db2.gz ZLQKGKYZVYNSMD-BWKNWUBXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[C@@H](NCc2cccc(CN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134447 870979380 /nfs/dbraw/zinc/97/93/80/870979380.db2.gz ZLQKGKYZVYNSMD-BWKNWUBXSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000539053413 871183897 /nfs/dbraw/zinc/18/38/97/871183897.db2.gz PWBPJKPVTWMBTA-AEFFLSMTSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000539053413 871183900 /nfs/dbraw/zinc/18/39/00/871183900.db2.gz PWBPJKPVTWMBTA-AEFFLSMTSA-N 1 3 393.453 3.979 20 0 GHADHO COC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000539073514 871260437 /nfs/dbraw/zinc/26/04/37/871260437.db2.gz MGQARQFHMSNTFG-BXWFABGCSA-N 1 3 388.474 3.872 20 0 GHADHO COC(=O)CCCN1CCC(Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000463300046 871368506 /nfs/dbraw/zinc/36/85/06/871368506.db2.gz LHLZOJBGWCDWCF-UHFFFAOYSA-N 1 3 387.568 3.748 20 0 GHADHO CCCN1CCCC[C@@H]1C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508781 871573981 /nfs/dbraw/zinc/57/39/81/871573981.db2.gz RMZGWSYHFMYRSB-GMKZXUHWSA-N 1 3 383.580 3.622 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462191680 871823537 /nfs/dbraw/zinc/82/35/37/871823537.db2.gz WCIBSWRKMOCXFO-HYBUGGRVSA-N 1 3 391.559 3.535 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000552063162 871964055 /nfs/dbraw/zinc/96/40/55/871964055.db2.gz QTVHUYMRWGVNJY-KEZOAJOQSA-N 1 3 398.591 3.995 20 0 GHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627065 872084555 /nfs/dbraw/zinc/08/45/55/872084555.db2.gz KYZBIHDCOIIMMU-DYESRHJHSA-N 1 3 390.531 3.716 20 0 GHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627065 872084575 /nfs/dbraw/zinc/08/45/75/872084575.db2.gz KYZBIHDCOIIMMU-DYESRHJHSA-N 1 3 390.531 3.716 20 0 GHADHO COc1ccc([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1CN1CCCCC1 ZINC000763558896 872535972 /nfs/dbraw/zinc/53/59/72/872535972.db2.gz NEUGMZIHPDFOHI-PGRDOPGGSA-N 1 3 390.568 3.509 20 0 GHADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@@H]1C ZINC000619428825 872641186 /nfs/dbraw/zinc/64/11/86/872641186.db2.gz XMAROVHTUGJUSI-OXBGMMKJSA-N 1 3 384.564 3.855 20 0 GHADHO Cc1cncc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000550881750 882761176 /nfs/dbraw/zinc/76/11/76/882761176.db2.gz CGPPVZXKUCYRNE-OFNKIYASSA-N 1 3 379.548 3.969 20 0 GHADHO CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000528003805 873872958 /nfs/dbraw/zinc/87/29/58/873872958.db2.gz MOBZBLMTQMIJLY-ISHFTEKXSA-N 1 3 375.516 3.599 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000528283734 874305134 /nfs/dbraw/zinc/30/51/34/874305134.db2.gz DBQUMUSEYOKVFO-QHCPKHFHSA-N 1 3 398.595 3.557 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000528283734 874305145 /nfs/dbraw/zinc/30/51/45/874305145.db2.gz DBQUMUSEYOKVFO-QHCPKHFHSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2cccc(N3CCCC3=O)c2)CC1 ZINC000449079800 874462651 /nfs/dbraw/zinc/46/26/51/874462651.db2.gz QCAHCPCGPSEXQL-HXUWFJFHSA-N 1 3 391.559 3.999 20 0 GHADHO COc1cccc(N2CC[C@@H](NC3CC[NH+]([C@H](C)Cc4ccccc4)CC3)C2)c1 ZINC000449118769 874502086 /nfs/dbraw/zinc/50/20/86/874502086.db2.gz UJLMCWVZWAPJLL-NFBKMPQASA-N 1 3 393.575 3.959 20 0 GHADHO C[C@H](CNC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122334 874506160 /nfs/dbraw/zinc/50/61/60/874506160.db2.gz KYHVQINRPFOJST-WIYYLYMNSA-N 1 3 392.609 3.828 20 0 GHADHO C[C@H](CNC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122334 874506166 /nfs/dbraw/zinc/50/61/66/874506166.db2.gz KYHVQINRPFOJST-WIYYLYMNSA-N 1 3 392.609 3.828 20 0 GHADHO C[C@H]1C[N@H+](CCCNCc2ccnc3c(Br)cccc23)CCCO1 ZINC000449281257 874665192 /nfs/dbraw/zinc/66/51/92/874665192.db2.gz CVCKCKGIQIOOJZ-HNNXBMFYSA-N 1 3 392.341 3.588 20 0 GHADHO C[C@H]1C[N@@H+](CCCNCc2ccnc3c(Br)cccc23)CCCO1 ZINC000449281257 874665200 /nfs/dbraw/zinc/66/52/00/874665200.db2.gz CVCKCKGIQIOOJZ-HNNXBMFYSA-N 1 3 392.341 3.588 20 0 GHADHO CCC(CC)[C@H](CNCC12CC(C1)CN2C(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC001199143517 874819754 /nfs/dbraw/zinc/81/97/54/874819754.db2.gz HQWXQOBJNBBSON-OZWAEMERSA-N 1 3 379.589 3.876 20 0 GHADHO c1ccc(CN2CCN(CC[NH2+][C@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC000491342930 875536378 /nfs/dbraw/zinc/53/63/78/875536378.db2.gz LNDYPJAVHRKXIR-RUZDIDTESA-N 1 3 386.543 3.578 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001201954588 875952574 /nfs/dbraw/zinc/95/25/74/875952574.db2.gz RKCHDTMVQQRLFV-IBGZPJMESA-N 1 3 382.401 3.701 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001201954588 875952579 /nfs/dbraw/zinc/95/25/79/875952579.db2.gz RKCHDTMVQQRLFV-IBGZPJMESA-N 1 3 382.401 3.701 20 0 GHADHO CCc1ccc2nccc(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)c2c1 ZINC000450258130 876157157 /nfs/dbraw/zinc/15/71/57/876157157.db2.gz PBHNKBZGXFRBRE-UHFFFAOYSA-N 1 3 394.563 3.616 20 0 GHADHO CC(C)(C)c1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420557 876465767 /nfs/dbraw/zinc/46/57/67/876465767.db2.gz YVDODPBQWURYKU-QFIPXVFZSA-N 1 3 393.575 3.971 20 0 GHADHO CC(C)(C)c1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420557 876465786 /nfs/dbraw/zinc/46/57/86/876465786.db2.gz YVDODPBQWURYKU-QFIPXVFZSA-N 1 3 393.575 3.971 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507225 876980552 /nfs/dbraw/zinc/98/05/52/876980552.db2.gz IEMQFFIASXGKAD-GUYCJALGSA-N 1 3 394.346 3.993 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507225 876980561 /nfs/dbraw/zinc/98/05/61/876980561.db2.gz IEMQFFIASXGKAD-GUYCJALGSA-N 1 3 394.346 3.993 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000850576259 877044615 /nfs/dbraw/zinc/04/46/15/877044615.db2.gz IODVOYIFGJLNCD-XXBNENTESA-N 1 3 392.547 3.607 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000850576259 877044621 /nfs/dbraw/zinc/04/46/21/877044621.db2.gz IODVOYIFGJLNCD-XXBNENTESA-N 1 3 392.547 3.607 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530207267 877296929 /nfs/dbraw/zinc/29/69/29/877296929.db2.gz CUSCJPBUJKYPAC-MRXNPFEDSA-N 1 3 383.540 3.905 20 0 GHADHO c1ccc(COc2ccccc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243288 877357531 /nfs/dbraw/zinc/35/75/31/877357531.db2.gz WUOAHCGLOTVXLY-HSZRJFAPSA-N 1 3 380.532 3.856 20 0 GHADHO C[C@H]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000175012670 877403104 /nfs/dbraw/zinc/40/31/04/877403104.db2.gz KCSWMAFZKCEWRF-FQEVSTJZSA-N 1 3 394.563 3.554 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699035 877665750 /nfs/dbraw/zinc/66/57/50/877665750.db2.gz JMGXHMRUOPUCEO-JSRBNTPPSA-N 1 3 385.596 3.615 20 0 GHADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699035 877665763 /nfs/dbraw/zinc/66/57/63/877665763.db2.gz JMGXHMRUOPUCEO-JSRBNTPPSA-N 1 3 385.596 3.615 20 0 GHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000788591098 878190603 /nfs/dbraw/zinc/19/06/03/878190603.db2.gz HWYKMHZYUSPVQS-QGZVFWFLSA-N 1 3 379.589 3.876 20 0 GHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000788591098 878190613 /nfs/dbraw/zinc/19/06/13/878190613.db2.gz HWYKMHZYUSPVQS-QGZVFWFLSA-N 1 3 379.589 3.876 20 0 GHADHO C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000530632495 878202686 /nfs/dbraw/zinc/20/26/86/878202686.db2.gz YZAVOSRLLPBOMY-HXUWFJFHSA-N 1 3 377.492 3.573 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccccc2N2CCOCC2)C3)cc1 ZINC000245653426 878292537 /nfs/dbraw/zinc/29/25/37/878292537.db2.gz CZVZGBZANFIDPY-JOZNFPNDSA-N 1 3 391.559 3.808 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000530727904 878401724 /nfs/dbraw/zinc/40/17/24/878401724.db2.gz PLORRFZBKAEPQI-KNQAVFIVSA-N 1 3 392.547 3.558 20 0 GHADHO CCC[NH+]1CCC(N(C)C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000530905472 878722694 /nfs/dbraw/zinc/72/26/94/878722694.db2.gz SBFRUJXDUWBOJA-FQEVSTJZSA-N 1 3 379.548 3.962 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)C[C@@H]2C1 ZINC000853093033 878809721 /nfs/dbraw/zinc/80/97/21/878809721.db2.gz ZTKYNRAESPPYMB-MHTWAQMVSA-N 1 3 391.600 3.734 20 0 GHADHO Cc1cccc([C@H](C)N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000452077204 878906566 /nfs/dbraw/zinc/90/65/66/878906566.db2.gz DEPSXXVYNPPGFB-PMACEKPBSA-N 1 3 379.548 3.815 20 0 GHADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000285703416 912397449 /nfs/dbraw/zinc/39/74/49/912397449.db2.gz PFRJRZCNEZIGNA-OEMFJLHTSA-N 1 3 397.607 3.914 20 0 GHADHO CC[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C)cc1 ZINC000538155670 878926680 /nfs/dbraw/zinc/92/66/80/878926680.db2.gz XFLCGEQFZNPZHE-QHCPKHFHSA-N 1 3 379.548 3.948 20 0 GHADHO OCCC[C@@H]1CCN(Cc2cc(Cl)cc(C[N@@H+]3CC[C@@H](CCCO)C3)c2)C1 ZINC000452119788 878968308 /nfs/dbraw/zinc/96/83/08/878968308.db2.gz LDMWASUQTNAHRM-RTBURBONSA-N 1 3 394.987 3.529 20 0 GHADHO OCCC[C@@H]1CCN(Cc2cc(Cl)cc(C[N@H+]3CC[C@@H](CCCO)C3)c2)C1 ZINC000452119788 878968317 /nfs/dbraw/zinc/96/83/17/878968317.db2.gz LDMWASUQTNAHRM-RTBURBONSA-N 1 3 394.987 3.529 20 0 GHADHO Cc1cccc([C@@H](C)NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000538189096 879001859 /nfs/dbraw/zinc/00/18/59/879001859.db2.gz UPODBUBZDFNYOT-HXUWFJFHSA-N 1 3 379.548 3.866 20 0 GHADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC[N@@H+](C2CC2)C1 ZINC000452175306 879045432 /nfs/dbraw/zinc/04/54/32/879045432.db2.gz SLNNBEYNGGROHZ-FQEVSTJZSA-N 1 3 391.559 3.875 20 0 GHADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC[N@H+](C2CC2)C1 ZINC000452175306 879045448 /nfs/dbraw/zinc/04/54/48/879045448.db2.gz SLNNBEYNGGROHZ-FQEVSTJZSA-N 1 3 391.559 3.875 20 0 GHADHO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H]1CC3(CCN(C)CC3)Oc3ccccc31)C2 ZINC000538308356 879268358 /nfs/dbraw/zinc/26/83/58/879268358.db2.gz VIKSYIATVRUCPS-RXVVDRJESA-N 1 3 394.515 3.577 20 0 GHADHO COc1ccc2c(c1)OC[C@@H](N[C@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000538308356 879268379 /nfs/dbraw/zinc/26/83/79/879268379.db2.gz VIKSYIATVRUCPS-RXVVDRJESA-N 1 3 394.515 3.577 20 0 GHADHO CC[NH+]1CCC(CCNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000461212542 879358733 /nfs/dbraw/zinc/35/87/33/879358733.db2.gz LWPNMNXWZNSESS-HXUWFJFHSA-N 1 3 385.596 3.568 20 0 GHADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139791 879826447 /nfs/dbraw/zinc/82/64/47/879826447.db2.gz VZVJODSXSVXQCG-OYYPCOLYSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139791 879826464 /nfs/dbraw/zinc/82/64/64/879826464.db2.gz VZVJODSXSVXQCG-OYYPCOLYSA-N 1 3 383.580 3.821 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)[C@@H](C)C1 ZINC000247129699 879927361 /nfs/dbraw/zinc/92/73/61/879927361.db2.gz ARLKAQDNAWXVSY-YYDVJCTNSA-N 1 3 384.568 3.968 20 0 GHADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247214135 879943828 /nfs/dbraw/zinc/94/38/28/879943828.db2.gz XFANGCDJWXMKIY-BRWVUGGUSA-N 1 3 384.561 3.638 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000531677082 880306777 /nfs/dbraw/zinc/30/67/77/880306777.db2.gz DCONADCYVJCJPM-ZWKOTPCHSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[N@H+]1CCCC[C@H]1C ZINC000531677082 880306787 /nfs/dbraw/zinc/30/67/87/880306787.db2.gz DCONADCYVJCJPM-ZWKOTPCHSA-N 1 3 379.976 3.931 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC[C@H]1C ZINC000531677082 880306798 /nfs/dbraw/zinc/30/67/98/880306798.db2.gz DCONADCYVJCJPM-ZWKOTPCHSA-N 1 3 379.976 3.931 20 0 GHADHO CCN1CCN(c2ccc(N[C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000776807829 880506975 /nfs/dbraw/zinc/50/69/75/880506975.db2.gz YPFZGVYZYXFYEH-YKSBVNFPSA-N 1 3 393.579 3.546 20 0 GHADHO CCN1CCN(c2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000776807829 880506979 /nfs/dbraw/zinc/50/69/79/880506979.db2.gz YPFZGVYZYXFYEH-YKSBVNFPSA-N 1 3 393.579 3.546 20 0 GHADHO CC[NH+]1CCN(c2ccc(N[C@H]3CCN(Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000776807829 880506983 /nfs/dbraw/zinc/50/69/83/880506983.db2.gz YPFZGVYZYXFYEH-YKSBVNFPSA-N 1 3 393.579 3.546 20 0 GHADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000429533467 881274326 /nfs/dbraw/zinc/27/43/26/881274326.db2.gz WTAGOTFAMUVDIE-KNQAVFIVSA-N 1 3 385.577 3.760 20 0 GHADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000429533467 881274336 /nfs/dbraw/zinc/27/43/36/881274336.db2.gz WTAGOTFAMUVDIE-KNQAVFIVSA-N 1 3 385.577 3.760 20 0 GHADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858492524 883144961 /nfs/dbraw/zinc/14/49/61/883144961.db2.gz YGGBWDLOLZUNSC-RBUKOAKNSA-N 1 3 385.552 3.553 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N(CC(C)(C)C)CC(C)(C)C)CC2)CC1 ZINC000183557347 883270197 /nfs/dbraw/zinc/27/01/97/883270197.db2.gz MXDFRKUJTZSPGR-UHFFFAOYSA-N 1 3 380.621 3.649 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](CC(C)C)CC(C)(C)C)cc2)CC1 ZINC001168164177 883565206 /nfs/dbraw/zinc/56/52/06/883565206.db2.gz QLHFYCLLPSHPHX-UHFFFAOYSA-N 1 3 388.600 3.771 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](CC(C)C)CC(C)(C)C)cc2)CC1 ZINC001168164177 883565215 /nfs/dbraw/zinc/56/52/15/883565215.db2.gz QLHFYCLLPSHPHX-UHFFFAOYSA-N 1 3 388.600 3.771 20 0 GHADHO CC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000542509169 883890199 /nfs/dbraw/zinc/89/01/99/883890199.db2.gz NHXUIJZZQLJNCW-HSZRJFAPSA-N 1 3 391.559 3.679 20 0 GHADHO Clc1cccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211911923 883974798 /nfs/dbraw/zinc/97/47/98/883974798.db2.gz VFCZZHGLLUQAQR-SFHVURJKSA-N 1 3 380.879 3.579 20 0 GHADHO Clc1cccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211911923 883974809 /nfs/dbraw/zinc/97/48/09/883974809.db2.gz VFCZZHGLLUQAQR-SFHVURJKSA-N 1 3 380.879 3.579 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000556217597 884116795 /nfs/dbraw/zinc/11/67/95/884116795.db2.gz NFWWVOHCMYAESI-NFBKMPQASA-N 1 3 379.548 3.523 20 0 GHADHO C[C@@H](NCc1cccc(N2CCOCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556217597 884116804 /nfs/dbraw/zinc/11/68/04/884116804.db2.gz NFWWVOHCMYAESI-NFBKMPQASA-N 1 3 379.548 3.523 20 0 GHADHO C[C@@H](NCc1cccc(N2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556217597 884116815 /nfs/dbraw/zinc/11/68/15/884116815.db2.gz NFWWVOHCMYAESI-NFBKMPQASA-N 1 3 379.548 3.523 20 0 GHADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@H]3CCCc4ccc(F)cc43)cc2)CC1 ZINC000666253089 884429536 /nfs/dbraw/zinc/42/95/36/884429536.db2.gz ILVCMITUWXAQLY-QHCPKHFHSA-N 1 3 395.522 3.690 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)cc1CN1CCCCC1 ZINC000806179863 884461230 /nfs/dbraw/zinc/46/12/30/884461230.db2.gz XAHUEPDECJNFCY-GCJKJVERSA-N 1 3 383.536 3.503 20 0 GHADHO C[NH+](C)Cc1cccc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000044276730 884812257 /nfs/dbraw/zinc/81/22/57/884812257.db2.gz OZDHMDUALMGSAB-UHFFFAOYSA-N 1 3 380.536 3.707 20 0 GHADHO CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455875149 885162065 /nfs/dbraw/zinc/16/20/65/885162065.db2.gz APJOPXHRQGRAIA-HXUWFJFHSA-N 1 3 386.565 3.893 20 0 GHADHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000303009594 885422664 /nfs/dbraw/zinc/42/26/64/885422664.db2.gz MKZUEHWPHJZIJV-HSZRJFAPSA-N 1 3 377.532 3.849 20 0 GHADHO CC(=O)Nc1ccc(C)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528324 885550736 /nfs/dbraw/zinc/55/07/36/885550736.db2.gz LNRXIGAZMMXPOH-UHFFFAOYSA-N 1 3 390.531 3.863 20 0 GHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000171131269 885743890 /nfs/dbraw/zinc/74/38/90/885743890.db2.gz MPOJFXDTHZTKLU-GOSISDBHSA-N 1 3 397.519 3.825 20 0 GHADHO Cc1cc2ncc([C@H](C)[NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)c(C)n2n1 ZINC000495433368 885757038 /nfs/dbraw/zinc/75/70/38/885757038.db2.gz NSNPLOOFDKMRDM-LQWHRVPQSA-N 1 3 377.536 3.907 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000532507321 885844527 /nfs/dbraw/zinc/84/45/27/885844527.db2.gz ZUKBSDKCKWQEEQ-DNOBIOAJSA-N 1 3 386.561 3.749 20 0 GHADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1C ZINC000532569020 886130250 /nfs/dbraw/zinc/13/02/50/886130250.db2.gz VOQKFSYIDNHSRH-DYESRHJHSA-N 1 3 397.567 3.622 20 0 GHADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1C ZINC000532569020 886130264 /nfs/dbraw/zinc/13/02/64/886130264.db2.gz VOQKFSYIDNHSRH-DYESRHJHSA-N 1 3 397.567 3.622 20 0 GHADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNC1CC[NH+](C2CCCC2)CC1 ZINC000862284287 886278100 /nfs/dbraw/zinc/27/81/00/886278100.db2.gz ISOGZSKNRASPSZ-QGZVFWFLSA-N 1 3 387.515 3.628 20 0 GHADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000073400972 886677358 /nfs/dbraw/zinc/67/73/58/886677358.db2.gz ZDOCUWKGMZMRKT-LJQANCHMSA-N 1 3 377.598 3.758 20 0 GHADHO CN(C)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757666 887426863 /nfs/dbraw/zinc/42/68/63/887426863.db2.gz WROIUNCNNKYPPR-UXHICEINSA-N 1 3 399.501 3.541 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001184326022 913151534 /nfs/dbraw/zinc/15/15/34/913151534.db2.gz NDOFOXZOYCVYIX-SWCONJRYSA-N 1 3 387.568 3.648 20 0 GHADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184408862 913206455 /nfs/dbraw/zinc/20/64/55/913206455.db2.gz XTLNKZRBZJYVRU-IHPCNDPISA-N 1 3 377.960 3.541 20 0 GHADHO OC1(C[NH2+]Cc2ccc(Br)cc2)CCN(Cc2ccccc2)CC1 ZINC000397655627 888251211 /nfs/dbraw/zinc/25/12/11/888251211.db2.gz YDJBEBRAQXQQIS-UHFFFAOYSA-N 1 3 389.337 3.566 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810279482 888377761 /nfs/dbraw/zinc/37/77/61/888377761.db2.gz XZKDEAPSAIWBDL-OAQYLSRUSA-N 1 3 393.572 3.695 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810279482 888377771 /nfs/dbraw/zinc/37/77/71/888377771.db2.gz XZKDEAPSAIWBDL-OAQYLSRUSA-N 1 3 393.572 3.695 20 0 GHADHO C[C@H](NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000865524849 888408587 /nfs/dbraw/zinc/40/85/87/888408587.db2.gz OMTKIFSZKBJQCN-JYJNAYRXSA-N 1 3 389.531 3.778 20 0 GHADHO C[C@H](NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524849 888408599 /nfs/dbraw/zinc/40/85/99/888408599.db2.gz OMTKIFSZKBJQCN-JYJNAYRXSA-N 1 3 389.531 3.778 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccsc1 ZINC000465516254 888431612 /nfs/dbraw/zinc/43/16/12/888431612.db2.gz ALFHYELXOOUJCE-IBGZPJMESA-N 1 3 380.602 3.552 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000644531066 913342598 /nfs/dbraw/zinc/34/25/98/913342598.db2.gz YQPSHGKFAUDYDW-DHIUTWEWSA-N 1 3 382.548 3.545 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644531066 913342606 /nfs/dbraw/zinc/34/26/06/913342606.db2.gz YQPSHGKFAUDYDW-DHIUTWEWSA-N 1 3 382.548 3.545 20 0 GHADHO O=C(CN1CCC[C@H]1c1cccc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000064515307 889976317 /nfs/dbraw/zinc/97/63/17/889976317.db2.gz NDASEUFGCWZUFC-QHCPKHFHSA-N 1 3 377.532 3.720 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc(OC(F)F)c1 ZINC000126690765 890650883 /nfs/dbraw/zinc/65/08/83/890650883.db2.gz CLABKGCFIIGLGS-QGZVFWFLSA-N 1 3 389.490 3.886 20 0 GHADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1)c1ccccc1 ZINC000873212242 891525004 /nfs/dbraw/zinc/52/50/04/891525004.db2.gz XHRXNMAYTDDNMY-NRFANRHFSA-N 1 3 397.588 3.668 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CN1Cc1ccccc1 ZINC000497557688 891859186 /nfs/dbraw/zinc/85/91/86/891859186.db2.gz DJIIKLGMOMEALN-AUSIDOKSSA-N 1 3 398.595 3.603 20 0 GHADHO CC(C)Oc1ccc([C@H](O)CNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000125410916 892612337 /nfs/dbraw/zinc/61/23/37/892612337.db2.gz SPIYTZBQBUVBEF-XMMPIXPASA-N 1 3 382.548 3.804 20 0 GHADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[NH+]1CCCCC1 ZINC000918121466 893197307 /nfs/dbraw/zinc/19/73/07/893197307.db2.gz OMERAKCZEALJES-OALUTQOASA-N 1 3 392.613 3.695 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000877031475 893447500 /nfs/dbraw/zinc/44/75/00/893447500.db2.gz WFHCDCKNOLPTCM-QWFCFKBJSA-N 1 3 398.938 3.576 20 0 GHADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000877031475 893447502 /nfs/dbraw/zinc/44/75/02/893447502.db2.gz WFHCDCKNOLPTCM-QWFCFKBJSA-N 1 3 398.938 3.576 20 0 GHADHO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000877089159 893479440 /nfs/dbraw/zinc/47/94/40/893479440.db2.gz KWJHSHGMOSZQIK-PMACEKPBSA-N 1 3 389.540 3.501 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+]C(C)(C)c3ccccc3C)cc2)CC1 ZINC000815149127 893521396 /nfs/dbraw/zinc/52/13/96/893521396.db2.gz ASVOXLHNLLIULH-UHFFFAOYSA-N 1 3 394.563 3.600 20 0 GHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000536709911 893617253 /nfs/dbraw/zinc/61/72/53/893617253.db2.gz JJSSTNKBLDSBLK-UHFFFAOYSA-N 1 3 384.524 3.592 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379659035 893717113 /nfs/dbraw/zinc/71/71/13/893717113.db2.gz YFJDDJRLKAGMHN-HOJAQTOUSA-N 1 3 388.939 3.722 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379659035 893717123 /nfs/dbraw/zinc/71/71/23/893717123.db2.gz YFJDDJRLKAGMHN-HOJAQTOUSA-N 1 3 388.939 3.722 20 0 GHADHO CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000563690877 894077801 /nfs/dbraw/zinc/07/78/01/894077801.db2.gz CKKNCHZLWOXWBI-GOSISDBHSA-N 1 3 390.890 3.549 20 0 GHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000564236650 894754875 /nfs/dbraw/zinc/75/48/75/894754875.db2.gz BUGTYGFYBVCOPD-QTJGBDASSA-N 1 3 386.580 3.853 20 0 GHADHO CC(C)[NH+]1CCN(CCCNC(C)(C)c2nc3cc(Cl)ccc3o2)CC1 ZINC000879160193 894874059 /nfs/dbraw/zinc/87/40/59/894874059.db2.gz SKNKHNZYRKUPCB-UHFFFAOYSA-N 1 3 378.948 3.722 20 0 GHADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2Oc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000564728479 895213412 /nfs/dbraw/zinc/21/34/12/895213412.db2.gz ANSHJQTZFAILBW-SIKLNZKXSA-N 1 3 393.531 3.559 20 0 GHADHO Cc1ccnc(-c2noc(CC3CC[NH+](CCCN4CCCCC4)CC3)n2)c1 ZINC000880281037 895612299 /nfs/dbraw/zinc/61/22/99/895612299.db2.gz LWBBCGVTLDSFJV-UHFFFAOYSA-N 1 3 383.540 3.571 20 0 GHADHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)c1c(F)cccc1F ZINC000817918665 895961043 /nfs/dbraw/zinc/96/10/43/895961043.db2.gz MIOQSYROYXNZMC-GKJHBJHPSA-N 1 3 388.458 3.622 20 0 GHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000565940132 895996048 /nfs/dbraw/zinc/99/60/48/895996048.db2.gz MIRVHMSZEBACAJ-VXKWHMMOSA-N 1 3 396.579 3.888 20 0 GHADHO Brc1ccc(-c2cnc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000567504976 897208832 /nfs/dbraw/zinc/20/88/32/897208832.db2.gz IDAVQTJFZHKVHM-JKSUJKDBSA-N 1 3 390.325 3.926 20 0 GHADHO O[C@@H](CNCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C(F)(F)F ZINC000567679962 897334409 /nfs/dbraw/zinc/33/44/09/897334409.db2.gz LCICVIVXPKSVRS-FQEVSTJZSA-N 1 3 378.438 3.962 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000568291253 897718393 /nfs/dbraw/zinc/71/83/93/897718393.db2.gz DGULWVXJRUTURT-HSZRJFAPSA-N 1 3 383.580 3.937 20 0 GHADHO Cc1cccc2ncc(CN3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)n21 ZINC001137194344 897796013 /nfs/dbraw/zinc/79/60/13/897796013.db2.gz RNHLRYFLXWZFHP-UHFFFAOYSA-N 1 3 389.547 3.914 20 0 GHADHO Cc1cccc2ncc(CN3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n21 ZINC001137194344 897796020 /nfs/dbraw/zinc/79/60/20/897796020.db2.gz RNHLRYFLXWZFHP-UHFFFAOYSA-N 1 3 389.547 3.914 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000569028893 898286059 /nfs/dbraw/zinc/28/60/59/898286059.db2.gz NAKDEUVCXVVLSY-WIYYLYMNSA-N 1 3 389.609 3.782 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000569028893 898286076 /nfs/dbraw/zinc/28/60/76/898286076.db2.gz NAKDEUVCXVVLSY-WIYYLYMNSA-N 1 3 389.609 3.782 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3/C=C/c3ccccc3)CC2)CC1 ZINC000569824567 898970800 /nfs/dbraw/zinc/97/08/00/898970800.db2.gz UVKREFRYTLPMAQ-NFPSEPLVSA-N 1 3 395.591 3.887 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000823609570 899131260 /nfs/dbraw/zinc/13/12/60/899131260.db2.gz ZQRMHOWNWQRRGX-HXUWFJFHSA-N 1 3 391.559 3.999 20 0 GHADHO Cc1cc(Br)cc(CNCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000774976478 914320065 /nfs/dbraw/zinc/32/00/65/914320065.db2.gz KBKBUHMWSPAYAG-UHFFFAOYSA-N 1 3 377.326 3.988 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000570153614 899161649 /nfs/dbraw/zinc/16/16/49/899161649.db2.gz NGFFWGOFNNCQND-KPZWWZAWSA-N 1 3 375.314 3.808 20 0 GHADHO COc1ncc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1C ZINC001137003262 900023054 /nfs/dbraw/zinc/02/30/54/900023054.db2.gz KEFKUZMJHCJVNL-QFIPXVFZSA-N 1 3 395.547 3.654 20 0 GHADHO COc1ncc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1C ZINC001137003262 900023066 /nfs/dbraw/zinc/02/30/66/900023066.db2.gz KEFKUZMJHCJVNL-QFIPXVFZSA-N 1 3 395.547 3.654 20 0 GHADHO CN(CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)C1CCC([NH3+])CC1 ZINC000844221129 900585952 /nfs/dbraw/zinc/58/59/52/900585952.db2.gz WAONNSMDMLBQEQ-UHFFFAOYSA-N 1 3 378.520 3.521 20 0 GHADHO C[NH+](C)CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCCC1 ZINC001143965048 900826435 /nfs/dbraw/zinc/82/64/35/900826435.db2.gz NFYWENLOYMVAAL-HXUWFJFHSA-N 1 3 389.559 3.761 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001171128963 900927177 /nfs/dbraw/zinc/92/71/77/900927177.db2.gz ZZHCZHDTRWGMMO-QHCPKHFHSA-N 1 3 379.548 3.923 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001171128963 900927185 /nfs/dbraw/zinc/92/71/85/900927185.db2.gz ZZHCZHDTRWGMMO-QHCPKHFHSA-N 1 3 379.548 3.923 20 0 GHADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000575783324 901295347 /nfs/dbraw/zinc/29/53/47/901295347.db2.gz CHLRORIDDASGLD-DHIUTWEWSA-N 1 3 393.531 3.657 20 0 GHADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(-c2ccncc2)c1 ZINC000090937207 901438483 /nfs/dbraw/zinc/43/84/83/901438483.db2.gz CBBFHMPFMSTWNS-GOSISDBHSA-N 1 3 376.504 3.935 20 0 GHADHO COc1cc(-c2ccccc2)ccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000576074440 901651570 /nfs/dbraw/zinc/65/15/70/901651570.db2.gz GLDJHAOWMMQCMR-UHFFFAOYSA-N 1 3 393.575 3.822 20 0 GHADHO COc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1Cn1cccn1 ZINC000123694406 901966275 /nfs/dbraw/zinc/96/62/75/901966275.db2.gz UXAZFFBLFNYXAI-SFHVURJKSA-N 1 3 378.520 3.852 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000775023803 914581337 /nfs/dbraw/zinc/58/13/37/914581337.db2.gz MJUYJINSEYHNNS-UHFFFAOYSA-N 1 3 390.934 3.996 20 0 GHADHO CC1CC[NH+]([C@H](CNC(=O)Nc2ccc3c(c2)CNC3)c2ccccc2)CC1 ZINC000576490973 902051509 /nfs/dbraw/zinc/05/15/09/902051509.db2.gz FCCSXIVXPTWKEI-JOCHJYFZSA-N 1 3 378.520 3.885 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]3CCC[C@@H](C)C3)cc2)CC1 ZINC001171191190 902246596 /nfs/dbraw/zinc/24/65/96/902246596.db2.gz YDXYJIRTFWGUSW-HSALFYBXSA-N 1 3 386.584 3.571 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646575706 914686293 /nfs/dbraw/zinc/68/62/93/914686293.db2.gz ZETKPHCOMGZVGM-SFTDATJTSA-N 1 3 397.588 3.881 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@H]3CCC(C)C)CC2)CC1 ZINC000577767137 903168360 /nfs/dbraw/zinc/16/83/60/903168360.db2.gz SYJKZNPFBUNFSI-UGKGYDQZSA-N 1 3 377.617 3.904 20 0 GHADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000577839483 903258001 /nfs/dbraw/zinc/25/80/01/903258001.db2.gz NBIYCYQHJMRIFL-KDOFPFPSSA-N 1 3 394.947 3.547 20 0 GHADHO [NH3+]C1(CC2CCC2)CCN(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CC1 ZINC001171254116 903271483 /nfs/dbraw/zinc/27/14/83/903271483.db2.gz CHDOEFISISZWFD-CBQGHPETSA-N 1 3 381.564 3.806 20 0 GHADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000132799360 903310271 /nfs/dbraw/zinc/31/02/71/903310271.db2.gz JJURMSAATYFZGG-UONOGXRCSA-N 1 3 385.321 3.740 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000578410091 903816860 /nfs/dbraw/zinc/81/68/60/903816860.db2.gz NOZPOORCTVZGNR-DKUWSORSSA-N 1 3 385.596 3.661 20 0 GHADHO CN(c1ccccc1CNCc1ccc(C2OCCO2)cc1)C1CC[NH+](C)CC1 ZINC000150901285 904039389 /nfs/dbraw/zinc/03/93/89/904039389.db2.gz DAHJPRHYJODCKU-UHFFFAOYSA-N 1 3 395.547 3.552 20 0 GHADHO CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171636195 904924286 /nfs/dbraw/zinc/92/42/86/904924286.db2.gz CAARKUDVFGUPDD-FQEVSTJZSA-N 1 3 398.595 3.513 20 0 GHADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767185 905004775 /nfs/dbraw/zinc/00/47/75/905004775.db2.gz LHXHGGXOHQUSHQ-OXCBMLQPSA-N 1 3 375.560 3.713 20 0 GHADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767185 905004789 /nfs/dbraw/zinc/00/47/89/905004789.db2.gz LHXHGGXOHQUSHQ-OXCBMLQPSA-N 1 3 375.560 3.713 20 0 GHADHO CCC1(CC)CCC[N@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC001171949008 905198996 /nfs/dbraw/zinc/19/89/96/905198996.db2.gz IXSKZJRBWIKPDN-UHFFFAOYSA-N 1 3 385.596 3.932 20 0 GHADHO CCC1(CC)CCC[N@@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC001171949008 905199005 /nfs/dbraw/zinc/19/90/05/905199005.db2.gz IXSKZJRBWIKPDN-UHFFFAOYSA-N 1 3 385.596 3.932 20 0 GHADHO Brc1ccc(N2CCC(N3CCC([NH+]4CCC4)CC3)CC2)cc1 ZINC001171999381 905209884 /nfs/dbraw/zinc/20/98/84/905209884.db2.gz PKQHFUCLGUWEMF-UHFFFAOYSA-N 1 3 378.358 3.588 20 0 GHADHO CC1(C)C[C@H](NC[C@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171976845 905224059 /nfs/dbraw/zinc/22/40/59/905224059.db2.gz UPCSETSCYKPZDG-VWNXMTODSA-N 1 3 393.575 3.925 20 0 GHADHO CC1(C)C[C@H](NC[C@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001171976845 905224074 /nfs/dbraw/zinc/22/40/74/905224074.db2.gz UPCSETSCYKPZDG-VWNXMTODSA-N 1 3 393.575 3.925 20 0 GHADHO CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCN1Cc1ccccc1 ZINC001171980538 905231933 /nfs/dbraw/zinc/23/19/33/905231933.db2.gz VRXNKSUQHIPJIM-IBGZPJMESA-N 1 3 379.504 3.550 20 0 GHADHO COCCOc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001172077032 905288954 /nfs/dbraw/zinc/28/89/54/905288954.db2.gz OLTPKMFLXDJLLW-NUNAXRQHSA-N 1 3 395.547 3.782 20 0 GHADHO FC1(F)CCCN(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065316 905331516 /nfs/dbraw/zinc/33/15/16/905331516.db2.gz KIOYWSABWNGYDW-WKCHPHFGSA-N 1 3 377.523 3.893 20 0 GHADHO FC1(F)CCCN(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065316 905331530 /nfs/dbraw/zinc/33/15/30/905331530.db2.gz KIOYWSABWNGYDW-WKCHPHFGSA-N 1 3 377.523 3.893 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001172604579 905663886 /nfs/dbraw/zinc/66/38/86/905663886.db2.gz MPYLDWAAYJYNSY-ICSRJNTNSA-N 1 3 378.944 3.873 20 0 GHADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000801584978 921165597 /nfs/dbraw/zinc/16/55/97/921165597.db2.gz OOZVYUAWDSNULH-JOCHJYFZSA-N 1 3 380.532 3.792 20 0 GHADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000801584978 921165605 /nfs/dbraw/zinc/16/56/05/921165605.db2.gz OOZVYUAWDSNULH-JOCHJYFZSA-N 1 3 380.532 3.792 20 0 GHADHO C[C@H](Cc1c(F)cccc1Cl)NC1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001172843335 905896747 /nfs/dbraw/zinc/89/67/47/905896747.db2.gz VWDPSIQTXLNYGU-CQSZACIVSA-N 1 3 399.938 3.728 20 0 GHADHO COc1cccc2c1C[C@H](NC[C@H]1C[N@H+](Cc3ccccc3)CC[C@H]1C)CO2 ZINC001173159891 906247202 /nfs/dbraw/zinc/24/72/02/906247202.db2.gz ICMJFVGSMKHKPZ-GIVPXCGWSA-N 1 3 380.532 3.747 20 0 GHADHO COc1cccc2c1C[C@H](NC[C@H]1C[N@@H+](Cc3ccccc3)CC[C@H]1C)CO2 ZINC001173159891 906247218 /nfs/dbraw/zinc/24/72/18/906247218.db2.gz ICMJFVGSMKHKPZ-GIVPXCGWSA-N 1 3 380.532 3.747 20 0 GHADHO CC(C)Oc1ccc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180997053 906892914 /nfs/dbraw/zinc/89/29/14/906892914.db2.gz VMDHVGUOZKZGOO-SFHVURJKSA-N 1 3 383.536 3.616 20 0 GHADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000181415266 906996444 /nfs/dbraw/zinc/99/64/44/906996444.db2.gz BIAGODJMZHMGEO-WBAXXEDZSA-N 1 3 398.494 3.715 20 0 GHADHO CC[C@@H](C)Oc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000299499170 921380112 /nfs/dbraw/zinc/38/01/12/921380112.db2.gz RLQRCKCHCJEYEQ-QGZVFWFLSA-N 1 3 388.556 3.544 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC001177266127 908507360 /nfs/dbraw/zinc/50/73/60/908507360.db2.gz AYPMUTTZPWQHOJ-QMMLZNLJSA-N 1 3 376.516 3.784 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC001177266127 908507367 /nfs/dbraw/zinc/50/73/67/908507367.db2.gz AYPMUTTZPWQHOJ-QMMLZNLJSA-N 1 3 376.516 3.784 20 0 GHADHO CN(C)Cc1cccc(NC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1 ZINC000194810089 908929159 /nfs/dbraw/zinc/92/91/59/908929159.db2.gz STUVSUBUVUSPIE-UHFFFAOYSA-N 1 3 381.524 3.534 20 0 GHADHO CN(C)Cc1cccc(NC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1 ZINC000194810089 908929165 /nfs/dbraw/zinc/92/91/65/908929165.db2.gz STUVSUBUVUSPIE-UHFFFAOYSA-N 1 3 381.524 3.534 20 0 GHADHO C[C@@H](C(=O)NC1CCC(C)([NH+]2CCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001179796772 909736259 /nfs/dbraw/zinc/73/62/59/909736259.db2.gz WNIHHNWAQQJIGE-UPDUBSDMSA-N 1 3 397.607 3.853 20 0 GHADHO CC[C@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1OCC(=O)N(C)C ZINC000268909384 910065506 /nfs/dbraw/zinc/06/55/06/910065506.db2.gz NUQCNARUTFMKGC-QFIPXVFZSA-N 1 3 397.563 3.846 20 0 GHADHO CC[C@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccccc1OCC(=O)N(C)C ZINC000268909384 910065522 /nfs/dbraw/zinc/06/55/22/910065522.db2.gz NUQCNARUTFMKGC-QFIPXVFZSA-N 1 3 397.563 3.846 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000269002672 910098111 /nfs/dbraw/zinc/09/81/11/910098111.db2.gz LXURZCWKYNZCEP-INIZCTEOSA-N 1 3 377.960 3.684 20 0 GHADHO Cc1nccn1CC[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000270814852 910706964 /nfs/dbraw/zinc/70/69/64/910706964.db2.gz AEFCBZIVJAYPET-UHFFFAOYSA-N 1 3 380.458 3.807 20 0 GHADHO CC(C)N1CCN(C2CC[NH+](CCc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000270859462 910719215 /nfs/dbraw/zinc/71/92/15/910719215.db2.gz HZQSPGCQJADHQB-UHFFFAOYSA-N 1 3 399.501 3.618 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000271464978 910914869 /nfs/dbraw/zinc/91/48/69/910914869.db2.gz GNJRTDTXXZNXNR-UYHISHBKSA-N 1 3 385.321 3.617 20 0 GHADHO CC(C)(C)[C@@]1(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)CCN(Cc2ccccc2)C1 ZINC001182533284 911857239 /nfs/dbraw/zinc/85/72/39/911857239.db2.gz MTNYXCUIMMXAHK-DNQXCXABSA-N 1 3 388.596 3.692 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248393796 912043472 /nfs/dbraw/zinc/04/34/72/912043472.db2.gz FCMGJVFOHISQBP-MZURWIMNSA-N 1 3 380.532 3.619 20 0 GHADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248393796 912043484 /nfs/dbraw/zinc/04/34/84/912043484.db2.gz FCMGJVFOHISQBP-MZURWIMNSA-N 1 3 380.532 3.619 20 0 GHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000646946183 914944219 /nfs/dbraw/zinc/94/42/19/914944219.db2.gz HQEATMYMNNPCEJ-JOCHJYFZSA-N 1 3 379.548 3.950 20 0 GHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000646946183 914944230 /nfs/dbraw/zinc/94/42/30/914944230.db2.gz HQEATMYMNNPCEJ-JOCHJYFZSA-N 1 3 379.548 3.950 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000647977211 915459807 /nfs/dbraw/zinc/45/98/07/915459807.db2.gz ZKPULEQIAOVTCP-XEYPJELSSA-N 1 3 383.536 3.710 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)ccc1OC ZINC000775370810 917211314 /nfs/dbraw/zinc/21/13/14/917211314.db2.gz JABOBGUCEUDAKR-IERDGZPVSA-N 1 3 382.552 3.844 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@](C)(CC)c3ccccc3)cc2)CC1 ZINC000775388969 917349899 /nfs/dbraw/zinc/34/98/99/917349899.db2.gz VSXKTAOLOYDFCX-DEOSSOPVSA-N 1 3 394.563 3.682 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1CN1CCCCC1 ZINC000775394349 917390324 /nfs/dbraw/zinc/39/03/24/917390324.db2.gz LINKYOTXAWBOED-RXVVDRJESA-N 1 3 376.541 3.527 20 0 GHADHO CC[C@](C)(NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000775394760 917390369 /nfs/dbraw/zinc/39/03/69/917390369.db2.gz NEEXPLKWVNUUMV-VWLOTQADSA-N 1 3 393.575 3.991 20 0 GHADHO COc1ccc([C@@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1C[NH+]1CCCCC1 ZINC000775412266 917571471 /nfs/dbraw/zinc/57/14/71/917571471.db2.gz LURGETJTHZRAMU-YLJYHZDGSA-N 1 3 387.568 3.731 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000902505867 922247390 /nfs/dbraw/zinc/24/73/90/922247390.db2.gz VVSHTXMEXJNTCS-XTQVGHSUSA-N 1 3 379.504 3.558 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc(-n3ccnc3)nc2)ccc1OC ZINC000367660956 922256723 /nfs/dbraw/zinc/25/67/23/922256723.db2.gz OMSDUSCWUGRXBN-SFHVURJKSA-N 1 3 393.535 3.969 20 0 GHADHO COc1ccc(C)cc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCOCC1 ZINC000903076039 922752231 /nfs/dbraw/zinc/75/22/31/922752231.db2.gz IXXFGAZYPYPLLM-VCSGRIEYSA-N 1 3 384.564 3.799 20 0 GHADHO COc1ccc(C)cc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOCC1 ZINC000903076039 922752240 /nfs/dbraw/zinc/75/22/40/922752240.db2.gz IXXFGAZYPYPLLM-VCSGRIEYSA-N 1 3 384.564 3.799 20 0 GHADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccccc1C(F)(F)F ZINC000903124359 922791881 /nfs/dbraw/zinc/79/18/81/922791881.db2.gz GIBAOGUFSUNQJN-NMACRGETSA-N 1 3 382.470 3.604 20 0 GHADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccccc1C(F)(F)F ZINC000903124359 922791892 /nfs/dbraw/zinc/79/18/92/922791892.db2.gz GIBAOGUFSUNQJN-NMACRGETSA-N 1 3 382.470 3.604 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](C)C3CCCCCCC3)cc2)CC1 ZINC000748805654 923839309 /nfs/dbraw/zinc/83/93/09/923839309.db2.gz OICVNTPIYQDVAG-UHFFFAOYSA-N 1 3 386.584 3.812 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](C)C3CCCCCCC3)cc2)CC1 ZINC000748805654 923839319 /nfs/dbraw/zinc/83/93/19/923839319.db2.gz OICVNTPIYQDVAG-UHFFFAOYSA-N 1 3 386.584 3.812 20 0 GHADHO CCC1(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000677229746 924292121 /nfs/dbraw/zinc/29/21/21/924292121.db2.gz FSEMGIADHGZRRR-QFIPXVFZSA-N 1 3 398.595 3.557 20 0 GHADHO CC(=O)N1CC[C@@H](NCc2ccc(OCCC[NH+](C)C)cc2)c2ccccc21 ZINC000677426474 924357580 /nfs/dbraw/zinc/35/75/80/924357580.db2.gz UEWCMHHRDMMFPD-JOCHJYFZSA-N 1 3 381.520 3.605 20 0 GHADHO Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCCN(Cc4ccccc4)C3)c(C)n2n1 ZINC000678542051 924817246 /nfs/dbraw/zinc/81/72/46/924817246.db2.gz MNMZAOMQEQGMMA-NQIIRXRSSA-N 1 3 377.536 3.909 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679042654 925008096 /nfs/dbraw/zinc/00/80/96/925008096.db2.gz CDBLXIFWZGURTM-IEZKXTBUSA-N 1 3 399.623 3.646 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000679290822 925087594 /nfs/dbraw/zinc/08/75/94/925087594.db2.gz PJPUILWYYTYDBH-XMSQKQJNSA-N 1 3 377.532 3.579 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000680001904 925328061 /nfs/dbraw/zinc/32/80/61/925328061.db2.gz RDOPTVRMMUPAJR-JOCHJYFZSA-N 1 3 378.564 3.678 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000680001904 925328072 /nfs/dbraw/zinc/32/80/72/925328072.db2.gz RDOPTVRMMUPAJR-JOCHJYFZSA-N 1 3 378.564 3.678 20 0 GHADHO CN1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446871 925816921 /nfs/dbraw/zinc/81/69/21/925816921.db2.gz NSZYGGSMWSVVGY-QHCPKHFHSA-N 1 3 385.552 3.507 20 0 GHADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446871 925816927 /nfs/dbraw/zinc/81/69/27/925816927.db2.gz NSZYGGSMWSVVGY-QHCPKHFHSA-N 1 3 385.552 3.507 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000411312101 926295863 /nfs/dbraw/zinc/29/58/63/926295863.db2.gz YPTWDWOJCXRWDM-GJZGRUSLSA-N 1 3 382.346 3.582 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000411312101 926295872 /nfs/dbraw/zinc/29/58/72/926295872.db2.gz YPTWDWOJCXRWDM-GJZGRUSLSA-N 1 3 382.346 3.582 20 0 GHADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000148151123 926371242 /nfs/dbraw/zinc/37/12/42/926371242.db2.gz INZWYISTCQSVIR-IRLDBZIGSA-N 1 3 378.520 3.896 20 0 GHADHO C[C@@H](CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000544330552 929059462 /nfs/dbraw/zinc/05/94/62/929059462.db2.gz KOCPLNZIOOAYPA-LEWJYISDSA-N 1 3 386.584 3.557 20 0 GHADHO CC[NH+](CC)Cc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000470115468 930384957 /nfs/dbraw/zinc/38/49/57/930384957.db2.gz ZAQGIIGDCYXISC-UHFFFAOYSA-N 1 3 394.563 3.679 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)CC2)CC1 ZINC000557634527 931585695 /nfs/dbraw/zinc/58/56/95/931585695.db2.gz HXTMCPVWLVNNCC-WIYYLYMNSA-N 1 3 387.568 3.776 20 0 GHADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000924948528 931592806 /nfs/dbraw/zinc/59/28/06/931592806.db2.gz DPNPGNWUGMLUIT-QPPBQGQZSA-N 1 3 380.580 3.651 20 0 GHADHO C[C@H]1CN(c2ccccc2CNCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000559597748 932749402 /nfs/dbraw/zinc/74/94/02/932749402.db2.gz QQIKASSWAGHIBH-FQEVSTJZSA-N 1 3 379.548 3.797 20 0 GHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000560894646 933661035 /nfs/dbraw/zinc/66/10/35/933661035.db2.gz WSRFFDPZMLHYMA-QRVBRYPASA-N 1 3 390.572 3.757 20 0 GHADHO C[C@@H](NC(=O)[C@@H](C)N1CCCC2(CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC001118198436 934106181 /nfs/dbraw/zinc/10/61/81/934106181.db2.gz NAUKVBCZUGPAQH-RTBURBONSA-N 1 3 379.548 3.871 20 0 GHADHO C[N@@H+](Cc1ccccc1)C[C@H](CN1CCC2(CCNC2=O)CC1)c1ccccc1 ZINC000931608021 934642155 /nfs/dbraw/zinc/64/21/55/934642155.db2.gz MHULRGDJOWJNAO-HSZRJFAPSA-N 1 3 391.559 3.504 20 0 GHADHO C[N@H+](Cc1ccccc1)C[C@H](CN1CCC2(CCNC2=O)CC1)c1ccccc1 ZINC000931608021 934642159 /nfs/dbraw/zinc/64/21/59/934642159.db2.gz MHULRGDJOWJNAO-HSZRJFAPSA-N 1 3 391.559 3.504 20 0 GHADHO Cc1cc([C@H](N)CC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc(Cl)n1 ZINC000828614711 935676376 /nfs/dbraw/zinc/67/63/76/935676376.db2.gz JYFDBJFXAMOZPO-CRAIPNDOSA-N 1 3 388.943 3.679 20 0 GHADHO CC(=O)Oc1cccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041469 935945982 /nfs/dbraw/zinc/94/59/82/935945982.db2.gz BRTODPTZJOUEPA-ZTCOLXNVSA-N 1 3 393.531 3.739 20 0 GHADHO CC(=O)Oc1cccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041469 935945984 /nfs/dbraw/zinc/94/59/84/935945984.db2.gz BRTODPTZJOUEPA-ZTCOLXNVSA-N 1 3 393.531 3.739 20 0 GHADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000468750023 1015990927 /nfs/dbraw/zinc/99/09/27/1015990927.db2.gz UOZUQXMKWWZHLF-KURKYZTESA-N 1 3 383.536 3.972 20 0 GHADHO CC(C)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(Cl)cc1 ZINC001220929250 1032193841 /nfs/dbraw/zinc/19/38/41/1032193841.db2.gz BWWPFGFSNIYTNR-LPHOPBHVSA-N 1 3 382.980 3.608 20 0 GHADHO CC(C)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(Cl)cc1 ZINC001220929250 1032193858 /nfs/dbraw/zinc/19/38/58/1032193858.db2.gz BWWPFGFSNIYTNR-LPHOPBHVSA-N 1 3 382.980 3.608 20 0 GHADHO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220962255 1032210585 /nfs/dbraw/zinc/21/05/85/1032210585.db2.gz GADPLYGOXVFFSF-NRFANRHFSA-N 1 3 395.522 3.573 20 0 GHADHO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220962255 1032210599 /nfs/dbraw/zinc/21/05/99/1032210599.db2.gz GADPLYGOXVFFSF-NRFANRHFSA-N 1 3 395.522 3.573 20 0 GHADHO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220962255 1032210614 /nfs/dbraw/zinc/21/06/14/1032210614.db2.gz GADPLYGOXVFFSF-NRFANRHFSA-N 1 3 395.522 3.573 20 0 GHADHO C[C@@H](COc1ccccc1)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160873 1032300060 /nfs/dbraw/zinc/30/00/60/1032300060.db2.gz NZMAAXYKDKMDQS-IBGZPJMESA-N 1 3 399.579 3.718 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001221463375 1032425417 /nfs/dbraw/zinc/42/54/17/1032425417.db2.gz ATPPTGVIQZMCNZ-HSALFYBXSA-N 1 3 388.600 3.563 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001221463375 1032425425 /nfs/dbraw/zinc/42/54/25/1032425425.db2.gz ATPPTGVIQZMCNZ-HSALFYBXSA-N 1 3 388.600 3.563 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581036 1019238370 /nfs/dbraw/zinc/23/83/70/1019238370.db2.gz HAWWDBVIFIYVHI-TYPHKJRUSA-N 1 3 383.536 3.737 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581036 1019238372 /nfs/dbraw/zinc/23/83/72/1019238372.db2.gz HAWWDBVIFIYVHI-TYPHKJRUSA-N 1 3 383.536 3.737 20 0 GHADHO c1cn(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@@H]4CCC[C@H]43)cn2)cn1 ZINC000834501692 1021227520 /nfs/dbraw/zinc/22/75/20/1021227520.db2.gz HPXLZQRCSMOFAF-RJGXRXQPSA-N 1 3 387.531 3.800 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001140383584 1021536204 /nfs/dbraw/zinc/53/62/04/1021536204.db2.gz OPWIYEAMAUXFOP-JOCHJYFZSA-N 1 3 390.531 3.818 20 0 GHADHO Cc1ccsc1[C@@H](Cc1ccccc1)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000680395245 1022152928 /nfs/dbraw/zinc/15/29/28/1022152928.db2.gz YAHSMNHBLRTMTA-OAQYLSRUSA-N 1 3 397.588 3.673 20 0 GHADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc(O)c4ccccc34)C2)C1 ZINC001138057932 1023963317 /nfs/dbraw/zinc/96/33/17/1023963317.db2.gz JOUBDCHTTSEFIW-HYBUGGRVSA-N 1 3 380.532 3.726 20 0 GHADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc(O)c4ccccc34)C2)C1 ZINC001138057932 1023963324 /nfs/dbraw/zinc/96/33/24/1023963324.db2.gz JOUBDCHTTSEFIW-HYBUGGRVSA-N 1 3 380.532 3.726 20 0 GHADHO COc1cc2cccnc2c(N(c2cc(N(C)C)ccn2)[C@H](C)CCC[NH3+])c1 ZINC001156750042 1033220837 /nfs/dbraw/zinc/22/08/37/1033220837.db2.gz JPZISUDDMBZOJQ-MRXNPFEDSA-N 1 3 379.508 3.970 20 0 GHADHO CN(C)c1cccc(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)n1 ZINC001162050293 1025564867 /nfs/dbraw/zinc/56/48/67/1025564867.db2.gz YBXUFIDZVLHQNZ-UHFFFAOYSA-N 1 3 378.442 3.943 20 0 GHADHO CCCn1cc(C[NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)cn1 ZINC001139039159 1025817479 /nfs/dbraw/zinc/81/74/79/1025817479.db2.gz ROIPCHQKRLSTEW-LJQANCHMSA-N 1 3 388.581 3.610 20 0 GHADHO COc1cc(O)ccc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001139142301 1025956429 /nfs/dbraw/zinc/95/64/29/1025956429.db2.gz RGACNNIWIYVWND-OAQYLSRUSA-N 1 3 396.531 3.656 20 0 GHADHO COc1cc(O)ccc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001139142301 1025956437 /nfs/dbraw/zinc/95/64/37/1025956437.db2.gz RGACNNIWIYVWND-OAQYLSRUSA-N 1 3 396.531 3.656 20 0 GHADHO FC(F)(F)c1ccc2nccc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)c2c1 ZINC001162963936 1025988886 /nfs/dbraw/zinc/98/88/86/1025988886.db2.gz VVPVGXCMWYZXPN-OAHLLOKOSA-N 1 3 379.426 3.636 20 0 GHADHO CN1CC2(C1)CC[NH+](Cc1ccc(OCc3cnc(Cl)s3)cc1)CC2 ZINC001139305188 1026159704 /nfs/dbraw/zinc/15/97/04/1026159704.db2.gz FQOPDQKETATJBU-UHFFFAOYSA-N 1 3 377.941 3.903 20 0 GHADHO CN(C)C1(CNc2ccc(F)c(C(F)(F)C(F)(F)F)c2)CC[NH+](C)CC1 ZINC001164217487 1026455581 /nfs/dbraw/zinc/45/55/81/1026455581.db2.gz VNRYXEJUIMELMZ-UHFFFAOYSA-N 1 3 383.380 3.918 20 0 GHADHO CCOc1ccncc1C[N@@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001139629207 1026497079 /nfs/dbraw/zinc/49/70/79/1026497079.db2.gz BXGPUZQMZSUKPH-YUXAGFNASA-N 1 3 380.536 3.608 20 0 GHADHO CCOc1ccncc1C[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001139629207 1026497090 /nfs/dbraw/zinc/49/70/90/1026497090.db2.gz BXGPUZQMZSUKPH-YUXAGFNASA-N 1 3 380.536 3.608 20 0 GHADHO CC(=O)Oc1ccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950498 1027744263 /nfs/dbraw/zinc/74/42/63/1027744263.db2.gz AKNBYAGYMNBHBL-NKKJXINNSA-N 1 3 393.531 3.739 20 0 GHADHO CC(=O)Oc1ccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950498 1027744275 /nfs/dbraw/zinc/74/42/75/1027744275.db2.gz AKNBYAGYMNBHBL-NKKJXINNSA-N 1 3 393.531 3.739 20 0 GHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc(C(F)(F)F)c1 ZINC001461377805 1069525006 /nfs/dbraw/zinc/52/50/06/1069525006.db2.gz FWQPRYDSRIBMAR-FQEVSTJZSA-N 1 3 378.438 3.952 20 0 GHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc(C(F)(F)F)c1 ZINC001461377805 1069525010 /nfs/dbraw/zinc/52/50/10/1069525010.db2.gz FWQPRYDSRIBMAR-FQEVSTJZSA-N 1 3 378.438 3.952 20 0 GHADHO COC(=O)Cc1ccc(C[NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)cc1 ZINC001142903160 1029663312 /nfs/dbraw/zinc/66/33/12/1029663312.db2.gz QPUYDHIRJOOXJU-JOCHJYFZSA-N 1 3 396.531 3.872 20 0 GHADHO C[C@@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000842904182 1029673794 /nfs/dbraw/zinc/67/37/94/1029673794.db2.gz SIDBKRLNCRUIGZ-ZWKOTPCHSA-N 1 3 396.535 3.568 20 0 GHADHO c1sc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c2c1OCCO2 ZINC001143195277 1029900904 /nfs/dbraw/zinc/90/09/04/1029900904.db2.gz XXKDRKAKUINQHY-RBUKOAKNSA-N 1 3 384.545 3.863 20 0 GHADHO c1sc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c2c1OCCO2 ZINC001143195277 1029900911 /nfs/dbraw/zinc/90/09/11/1029900911.db2.gz XXKDRKAKUINQHY-RBUKOAKNSA-N 1 3 384.545 3.863 20 0 GHADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001222009465 1029928954 /nfs/dbraw/zinc/92/89/54/1029928954.db2.gz ILQIMXALSCXPMB-PKTZIBPZSA-N 1 3 398.595 3.920 20 0 GHADHO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001222009465 1029928957 /nfs/dbraw/zinc/92/89/57/1029928957.db2.gz ILQIMXALSCXPMB-PKTZIBPZSA-N 1 3 398.595 3.920 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126940 1029971889 /nfs/dbraw/zinc/97/18/89/1029971889.db2.gz HZRRCUWCPOYMTO-YADHBBJMSA-N 1 3 386.584 3.633 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126940 1029971905 /nfs/dbraw/zinc/97/19/05/1029971905.db2.gz HZRRCUWCPOYMTO-YADHBBJMSA-N 1 3 386.584 3.633 20 0 GHADHO Cc1ccc(I)c(CN2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001222461708 1030148497 /nfs/dbraw/zinc/14/84/97/1030148497.db2.gz ZLIKMNGCJNXRLP-UHFFFAOYSA-N 1 3 384.305 3.565 20 0 GHADHO Brc1cc2[nH]cc(C[N@@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)c2cn1 ZINC001222608561 1030230643 /nfs/dbraw/zinc/23/06/43/1030230643.db2.gz BSXTYHFWHURWCK-KRWDZBQOSA-N 1 3 397.320 3.514 20 0 GHADHO Brc1cc2[nH]cc(C[N@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)c2cn1 ZINC001222608561 1030230661 /nfs/dbraw/zinc/23/06/61/1030230661.db2.gz BSXTYHFWHURWCK-KRWDZBQOSA-N 1 3 397.320 3.514 20 0 GHADHO Brc1cnc2c(C[N@@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)c[nH]c2c1 ZINC001222610494 1030234306 /nfs/dbraw/zinc/23/43/06/1030234306.db2.gz ZMWQRPWQILXJEL-KRWDZBQOSA-N 1 3 397.320 3.514 20 0 GHADHO Brc1cnc2c(C[N@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)c[nH]c2c1 ZINC001222610494 1030234313 /nfs/dbraw/zinc/23/43/13/1030234313.db2.gz ZMWQRPWQILXJEL-KRWDZBQOSA-N 1 3 397.320 3.514 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)CC(C)C ZINC001223089974 1030434202 /nfs/dbraw/zinc/43/42/02/1030434202.db2.gz UBUHKDKDFNNSEP-YADHBBJMSA-N 1 3 388.600 3.707 20 0 GHADHO [NH3+]C1CCN(Cc2ccc(O[C@@H]3CCCN(Cc4ccccc4F)C3)cc2)CC1 ZINC001218390539 1030916459 /nfs/dbraw/zinc/91/64/59/1030916459.db2.gz LSYLQMRQZHZEAL-HSZRJFAPSA-N 1 3 397.538 3.792 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC001218755553 1031067231 /nfs/dbraw/zinc/06/72/31/1031067231.db2.gz NVRJALFOESPBKW-IBGZPJMESA-N 1 3 383.540 3.574 20 0 GHADHO O=C(Nc1ccc2[nH]ccc2c1)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001218807619 1031087071 /nfs/dbraw/zinc/08/70/71/1031087071.db2.gz FSVORRLBPCTHRH-HYBUGGRVSA-N 1 3 388.515 3.608 20 0 GHADHO [NH3+][C@H](CC(=O)N1CCN(CC2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001157580025 1033669362 /nfs/dbraw/zinc/66/93/62/1033669362.db2.gz WKFNLYYRDJYHJD-LJQANCHMSA-N 1 3 397.485 3.820 20 0 GHADHO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CN1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206013144 1033685586 /nfs/dbraw/zinc/68/55/86/1033685586.db2.gz PQVJBMKNWUEVEX-KGLIPLIRSA-N 1 3 377.916 3.805 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206212492 1033766201 /nfs/dbraw/zinc/76/62/01/1033766201.db2.gz RUOVOGAZPITASJ-RBUKOAKNSA-N 1 3 376.447 3.771 20 0 GHADHO COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206212492 1033766217 /nfs/dbraw/zinc/76/62/17/1033766217.db2.gz RUOVOGAZPITASJ-RBUKOAKNSA-N 1 3 376.447 3.771 20 0 GHADHO Cc1ccc(C[NH+]2C[C@@H]3CN(C[C@@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211101 1034178158 /nfs/dbraw/zinc/17/81/58/1034178158.db2.gz ZSGQMNVSAWFVPB-BHDDXSALSA-N 1 3 399.579 3.616 20 0 GHADHO CC[N@H+](CCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C1CCCCC1 ZINC001230686844 1034179477 /nfs/dbraw/zinc/17/94/77/1034179477.db2.gz RZQWAMQDBQJTGF-OAQYLSRUSA-N 1 3 392.563 3.772 20 0 GHADHO CC[N@@H+](CCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C1CCCCC1 ZINC001230686844 1034179485 /nfs/dbraw/zinc/17/94/85/1034179485.db2.gz RZQWAMQDBQJTGF-OAQYLSRUSA-N 1 3 392.563 3.772 20 0 GHADHO COc1cc2c(cc1OC)CN(CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207291164 1034242676 /nfs/dbraw/zinc/24/26/76/1034242676.db2.gz MIAKHNDGFIRNMF-UHFFFAOYSA-N 1 3 380.532 3.974 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@@H]6CC[N@H+](C)C6)cc54)O[C@H](CN3C1)C2 ZINC001231317083 1034513511 /nfs/dbraw/zinc/51/35/11/1034513511.db2.gz JPPKICPSJZQYPL-WUZVVHMOSA-N 1 3 393.531 3.632 20 0 GHADHO CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@@H]6CC[N@@H+](C)C6)cc54)O[C@H](CN3C1)C2 ZINC001231317083 1034513520 /nfs/dbraw/zinc/51/35/20/1034513520.db2.gz JPPKICPSJZQYPL-WUZVVHMOSA-N 1 3 393.531 3.632 20 0 GHADHO Nc1ccc(N(c2ccc(CN3CCCCC3)c(F)c2)C2CC[NH2+]CC2)nc1 ZINC001159321320 1034542068 /nfs/dbraw/zinc/54/20/68/1034542068.db2.gz INAVIALCWJTLDH-UHFFFAOYSA-N 1 3 383.515 3.679 20 0 GHADHO CN(C1CC1)C1CC[NH+](CC2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001207807869 1034586438 /nfs/dbraw/zinc/58/64/38/1034586438.db2.gz UIEDIRNKMCAFMM-UHFFFAOYSA-N 1 3 391.600 3.972 20 0 GHADHO COc1cc(Cl)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001159460499 1034605638 /nfs/dbraw/zinc/60/56/38/1034605638.db2.gz KKLAJHUUCWSVLJ-UHFFFAOYSA-N 1 3 384.911 3.653 20 0 GHADHO Cc1cccc2c1ncnc2-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159460642 1034605806 /nfs/dbraw/zinc/60/58/06/1034605806.db2.gz WBCQPZPPIXTTGB-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)=C1CC[NH2+]CC1 ZINC001159478638 1034612835 /nfs/dbraw/zinc/61/28/35/1034612835.db2.gz ZTBWFGIYSBJWRZ-UHFFFAOYSA-N 1 3 376.548 3.684 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4cc[nH]c4cn3)C[C@@H]21 ZINC001231668482 1034822913 /nfs/dbraw/zinc/82/29/13/1034822913.db2.gz WMTNERMULIKVTO-RZFNWQHOSA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4cc[nH]c4cn3)C[C@@H]21 ZINC001231668482 1034822926 /nfs/dbraw/zinc/82/29/26/1034822926.db2.gz WMTNERMULIKVTO-RZFNWQHOSA-N 1 3 375.520 3.690 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668481 1034823476 /nfs/dbraw/zinc/82/34/76/1034823476.db2.gz WMTNERMULIKVTO-QTGUNEKASA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668481 1034823495 /nfs/dbraw/zinc/82/34/95/1034823495.db2.gz WMTNERMULIKVTO-QTGUNEKASA-N 1 3 375.520 3.690 20 0 GHADHO N[C@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC001160460712 1034981681 /nfs/dbraw/zinc/98/16/81/1034981681.db2.gz DKAATHIPJAKARI-RHSMWYFYSA-N 1 3 384.351 3.860 20 0 GHADHO COC1CCN(C2CC[NH+](CCCc3cccc(Br)c3)CC2)CC1 ZINC001208824383 1035043117 /nfs/dbraw/zinc/04/31/17/1035043117.db2.gz GKRYQRHMLZZYDW-UHFFFAOYSA-N 1 3 395.385 3.957 20 0 GHADHO CN(CCCC1c2ccccc2C=Cc2ccccc21)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160922069 1035095193 /nfs/dbraw/zinc/09/51/93/1035095193.db2.gz RBXDNXPWWKUVQR-DEOSSOPVSA-N 1 3 391.559 3.997 20 0 GHADHO O=C1Nc2ccccc2C12CCN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208930412 1035095869 /nfs/dbraw/zinc/09/58/69/1035095869.db2.gz BCGOZJGELLHMGY-NRFANRHFSA-N 1 3 389.543 3.885 20 0 GHADHO O=C1Nc2ccccc2C12CCN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208930412 1035095879 /nfs/dbraw/zinc/09/58/79/1035095879.db2.gz BCGOZJGELLHMGY-NRFANRHFSA-N 1 3 389.543 3.885 20 0 GHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942627 1035111113 /nfs/dbraw/zinc/11/11/13/1035111113.db2.gz QPAHZJWQQSFBNK-RTWAWAEBSA-N 1 3 387.568 3.840 20 0 GHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942627 1035111115 /nfs/dbraw/zinc/11/11/15/1035111115.db2.gz QPAHZJWQQSFBNK-RTWAWAEBSA-N 1 3 387.568 3.840 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](C[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208941873 1035111201 /nfs/dbraw/zinc/11/12/01/1035111201.db2.gz NNTRRNJXGKVZCW-QPPBQGQZSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+](C[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208941873 1035111203 /nfs/dbraw/zinc/11/12/03/1035111203.db2.gz NNTRRNJXGKVZCW-QPPBQGQZSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208949869 1035120568 /nfs/dbraw/zinc/12/05/68/1035120568.db2.gz ZEJIRNVQJMJFAM-NZQKXSOJSA-N 1 3 387.568 3.888 20 0 GHADHO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208949869 1035120571 /nfs/dbraw/zinc/12/05/71/1035120571.db2.gz ZEJIRNVQJMJFAM-NZQKXSOJSA-N 1 3 387.568 3.888 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232144307 1035121949 /nfs/dbraw/zinc/12/19/49/1035121949.db2.gz HPQLZDHDTLVTHS-QFIPXVFZSA-N 1 3 391.531 3.720 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC001232146981 1035124966 /nfs/dbraw/zinc/12/49/66/1035124966.db2.gz BYCHZBMSHYISMQ-KDURUIRLSA-N 1 3 391.531 3.576 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001232148595 1035126393 /nfs/dbraw/zinc/12/63/93/1035126393.db2.gz RLVCCGZCZPPNPE-OAQYLSRUSA-N 1 3 387.524 3.578 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001232148595 1035126397 /nfs/dbraw/zinc/12/63/97/1035126397.db2.gz RLVCCGZCZPPNPE-OAQYLSRUSA-N 1 3 387.524 3.578 20 0 GHADHO CN1C(=O)C2(CCN(Cc3cc(F)cc(C[NH+](C)C)c3)CC2)[C@H]1c1ccccc1 ZINC001232150997 1035128960 /nfs/dbraw/zinc/12/89/60/1035128960.db2.gz XFGDMXVCTDNDQM-JOCHJYFZSA-N 1 3 395.522 3.683 20 0 GHADHO c1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)n(Cc2ccccc2)c1 ZINC001232232176 1035173840 /nfs/dbraw/zinc/17/38/40/1035173840.db2.gz LNJGKWNUDGBWEQ-UHFFFAOYSA-N 1 3 381.564 3.861 20 0 GHADHO Cc1ccc(CN(C(=O)c2csc([C@H]3CCCN3)n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161402883 1035224279 /nfs/dbraw/zinc/22/42/79/1035224279.db2.gz YXLJMHIYCYYQNA-GUDVDZBRSA-N 1 3 398.576 3.788 20 0 GHADHO CN(Cc1ccccc1)C1CC[NH+](CCCCNC(=O)OC(C)(C)C)CC1 ZINC001209364253 1035254963 /nfs/dbraw/zinc/25/49/63/1035254963.db2.gz RMEOBTZZXUHKNZ-UHFFFAOYSA-N 1 3 375.557 3.888 20 0 GHADHO CN(C)Cc1ccnc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)c1 ZINC001161581661 1035264262 /nfs/dbraw/zinc/26/42/62/1035264262.db2.gz WMCBTTPXRYCDTA-UHFFFAOYSA-N 1 3 392.469 3.895 20 0 GHADHO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2C2=CCN(Cc3ccccc3)CC2)CC1 ZINC001241507227 1035598324 /nfs/dbraw/zinc/59/83/24/1035598324.db2.gz SDTVQXCEHHEJRK-HZCBDIJESA-N 1 3 389.543 3.976 20 0 GHADHO C[NH+](C)CCCOc1ccc(-c2cccc3cc([C@H]4CNCCO4)cn32)cc1 ZINC001245340684 1036887644 /nfs/dbraw/zinc/88/76/44/1036887644.db2.gz ZLDKGCMYBWLEFS-HSZRJFAPSA-N 1 3 379.504 3.598 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCSCc1c(Cl)cccc1Cl ZINC001245987226 1037110553 /nfs/dbraw/zinc/11/05/53/1037110553.db2.gz KFPDWLKXIQGUEE-RBUKOAKNSA-N 1 3 399.387 3.747 20 0 GHADHO CC(C)C[C@@H]([NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC001245990948 1037113025 /nfs/dbraw/zinc/11/30/25/1037113025.db2.gz FPZHSRHTLVMEFA-PWRODBHTSA-N 1 3 380.454 3.712 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H](CC1CCC1)c1cccc(F)c1 ZINC001245998028 1037119486 /nfs/dbraw/zinc/11/94/86/1037119486.db2.gz FFZOSCPXHLUSSO-FDFHNCONSA-N 1 3 392.465 3.856 20 0 GHADHO CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246017884 1037137739 /nfs/dbraw/zinc/13/77/39/1037137739.db2.gz BWLDDARUDBNJKP-LPHOPBHVSA-N 1 3 388.930 3.966 20 0 GHADHO C[C@@]1(C[NH3+])CCCCN(C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001246018051 1037138580 /nfs/dbraw/zinc/13/85/80/1037138580.db2.gz ABZPNIDICCWYTI-HXOBKFHXSA-N 1 3 381.520 3.512 20 0 GHADHO C[C@@](O)(C[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2)c1ccccc1 ZINC001246023533 1037141069 /nfs/dbraw/zinc/14/10/69/1037141069.db2.gz CUVZDANIQFWQDX-BJKOFHAPSA-N 1 3 394.559 3.698 20 0 GHADHO C[C@@](O)(C[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2)c1ccccc1 ZINC001246023533 1037141074 /nfs/dbraw/zinc/14/10/74/1037141074.db2.gz CUVZDANIQFWQDX-BJKOFHAPSA-N 1 3 394.559 3.698 20 0 GHADHO C[C@@](O)(CN1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246023533 1037141078 /nfs/dbraw/zinc/14/10/78/1037141078.db2.gz CUVZDANIQFWQDX-BJKOFHAPSA-N 1 3 394.559 3.698 20 0 GHADHO CC(C)(C)C[N@H+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC001246067365 1037180821 /nfs/dbraw/zinc/18/08/21/1037180821.db2.gz DCHZDYTYBLBTJZ-HXUWFJFHSA-N 1 3 376.585 3.824 20 0 GHADHO CC(C)(C)C[N@@H+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC001246067365 1037180835 /nfs/dbraw/zinc/18/08/35/1037180835.db2.gz DCHZDYTYBLBTJZ-HXUWFJFHSA-N 1 3 376.585 3.824 20 0 GHADHO CC(C)(C)CN(C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC001246067365 1037180847 /nfs/dbraw/zinc/18/08/47/1037180847.db2.gz DCHZDYTYBLBTJZ-HXUWFJFHSA-N 1 3 376.585 3.824 20 0 GHADHO CC[C@@H]1CC(NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)C[C@@H](CC)[NH2+]1 ZINC001246281335 1037273530 /nfs/dbraw/zinc/27/35/30/1037273530.db2.gz OAQNTGLTHADDBO-RWQQGDIJSA-N 1 3 398.588 3.527 20 0 GHADHO CC[C@@H]1CC(NC[C@H]2C[C@]2(C(=O)N(CC)CC)c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246288533 1037278984 /nfs/dbraw/zinc/27/89/84/1037278984.db2.gz PPZKLUYYWFUDJF-CTVDGRRTSA-N 1 3 385.596 3.712 20 0 GHADHO CC[C@@H]1C[C@H](NCC(Cc2ccccc2)(Cc2ccccc2)C(=O)OC)CC[NH2+]1 ZINC001246327327 1037295377 /nfs/dbraw/zinc/29/53/77/1037295377.db2.gz INLNHJAQUSAPPF-DHIUTWEWSA-N 1 3 394.559 3.751 20 0 GHADHO Cc1cccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CCC3(CC2)OCCO3)c1 ZINC001246329115 1037298663 /nfs/dbraw/zinc/29/86/63/1037298663.db2.gz NNPZJABVDQGODV-ZBYYUNFXSA-N 1 3 384.564 3.813 20 0 GHADHO COc1ccccc1CN1CC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246360821 1037320512 /nfs/dbraw/zinc/32/05/12/1037320512.db2.gz IILIUSYQZSXOGU-QNWVGRARSA-N 1 3 397.538 3.800 20 0 GHADHO COC(=O)CC1(N[C@@H](C)CC(c2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC001246369318 1037326732 /nfs/dbraw/zinc/32/67/32/1037326732.db2.gz ZVMIWHUFDHYLQZ-IBGZPJMESA-N 1 3 380.532 3.872 20 0 GHADHO COC(=O)CC1([NH2+][C@@H](C)CC(c2ccccc2)c2ccccc2)CCNCC1 ZINC001246369318 1037326752 /nfs/dbraw/zinc/32/67/52/1037326752.db2.gz ZVMIWHUFDHYLQZ-IBGZPJMESA-N 1 3 380.532 3.872 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H](NC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246392049 1037351827 /nfs/dbraw/zinc/35/18/27/1037351827.db2.gz XODFLEDLPWMQSH-WBVHZDCISA-N 1 3 398.469 3.692 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CCNCC2)C1 ZINC001246392049 1037351853 /nfs/dbraw/zinc/35/18/53/1037351853.db2.gz XODFLEDLPWMQSH-WBVHZDCISA-N 1 3 398.469 3.692 20 0 GHADHO C[C@@H]1C[C@@H](NC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001246392203 1037352942 /nfs/dbraw/zinc/35/29/42/1037352942.db2.gz RALCQIZAUGFJKT-AUSIDOKSSA-N 1 3 381.539 3.743 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246394964 1037354055 /nfs/dbraw/zinc/35/40/55/1037354055.db2.gz KMXGMYBQOUFWFL-NCYKPQTJSA-N 1 3 375.532 3.767 20 0 GHADHO CCCC[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246394965 1037355213 /nfs/dbraw/zinc/35/52/13/1037355213.db2.gz KMXGMYBQOUFWFL-TUFLPTIASA-N 1 3 375.532 3.767 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H](NC2(Cc3ccccc3Cl)CC[NH2+]CC2)C1 ZINC001246396184 1037356261 /nfs/dbraw/zinc/35/62/61/1037356261.db2.gz YLXGSYXUNVQXKR-FUHWJXTLSA-N 1 3 378.944 3.716 20 0 GHADHO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246396184 1037356275 /nfs/dbraw/zinc/35/62/75/1037356275.db2.gz YLXGSYXUNVQXKR-FUHWJXTLSA-N 1 3 378.944 3.716 20 0 GHADHO CC[C@@H]1CC(N[C@@H]2CCCN(c3nc4ccccc4n3CC)C2)C[C@@H](CC)[NH2+]1 ZINC001246408613 1037363551 /nfs/dbraw/zinc/36/35/51/1037363551.db2.gz VXFIPPRJLYDFSZ-GUDVDZBRSA-N 1 3 383.584 3.924 20 0 GHADHO FC1(F)CNCC[C@@H]1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001246487789 1037434160 /nfs/dbraw/zinc/43/41/60/1037434160.db2.gz MJPDROQKMILNKN-MXEMCNAFSA-N 1 3 377.523 3.797 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(=O)SCc1ccccc1)C2 ZINC001246494296 1037439368 /nfs/dbraw/zinc/43/93/68/1037439368.db2.gz XZPGEBCZDAASSI-WOZUAGRISA-N 1 3 389.609 3.549 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H](C2CCC2)C2CNC2)CC1 ZINC001246519315 1037454245 /nfs/dbraw/zinc/45/42/45/1037454245.db2.gz RNJRYRMJUKWFAU-SNCIUUNGSA-N 1 3 390.955 3.671 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+]3CCCC[C@@]34CCCNC4)CC[C@H]2C1 ZINC001246655285 1037528016 /nfs/dbraw/zinc/52/80/16/1037528016.db2.gz YVYWCZOGWSYCLW-LCXINAFSSA-N 1 3 395.591 3.926 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCCC[C@@]34CCCNC4)CC[C@H]2C1 ZINC001246655285 1037528033 /nfs/dbraw/zinc/52/80/33/1037528033.db2.gz YVYWCZOGWSYCLW-LCXINAFSSA-N 1 3 395.591 3.926 20 0 GHADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H](N3CCCC[C@@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246655285 1037528048 /nfs/dbraw/zinc/52/80/48/1037528048.db2.gz YVYWCZOGWSYCLW-LCXINAFSSA-N 1 3 395.591 3.926 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC001246699654 1037555583 /nfs/dbraw/zinc/55/55/83/1037555583.db2.gz YCZFUKNZTTXZMW-XLIONFOSSA-N 1 3 389.547 3.955 20 0 GHADHO C[C@@H]1C[C@@H]([NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)CCN1 ZINC001246699654 1037555588 /nfs/dbraw/zinc/55/55/88/1037555588.db2.gz YCZFUKNZTTXZMW-XLIONFOSSA-N 1 3 389.547 3.955 20 0 GHADHO C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)CCN1 ZINC001246753127 1037593872 /nfs/dbraw/zinc/59/38/72/1037593872.db2.gz GMIRWUYDRKSKPG-DYXWJJEUSA-N 1 3 395.591 3.707 20 0 GHADHO C[C@@H]1C[C@@H](N2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)CC[NH2+]1 ZINC001246753127 1037593880 /nfs/dbraw/zinc/59/38/80/1037593880.db2.gz GMIRWUYDRKSKPG-DYXWJJEUSA-N 1 3 395.591 3.707 20 0 GHADHO CC[C@H]1C[C@@H](N2CCC3(CC2)Cc2ccccc2CN(CC(C)C)C3=O)CC[NH2+]1 ZINC001246754128 1037596763 /nfs/dbraw/zinc/59/67/63/1037596763.db2.gz SOGKTCTWDDAMLI-GOTSBHOMSA-N 1 3 397.607 3.840 20 0 GHADHO CC(C)C[NH+]1CCC(N2CCN[C@H](c3cccc(Br)c3)C2)CC1 ZINC001246803727 1037638247 /nfs/dbraw/zinc/63/82/47/1037638247.db2.gz CPFMGPUNUKZCMX-IBGZPJMESA-N 1 3 380.374 3.516 20 0 GHADHO Fc1cc(C(F)(F)F)ccc1N1CCN(C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246866409 1037685858 /nfs/dbraw/zinc/68/58/58/1037685858.db2.gz CISMQDKUFPTOPO-UHFFFAOYSA-N 1 3 385.449 3.889 20 0 GHADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246875972 1037687530 /nfs/dbraw/zinc/68/75/30/1037687530.db2.gz KJQCLWIUQTWBMC-QHAWAJNXSA-N 1 3 380.532 3.639 20 0 GHADHO COC(=O)c1cccc(CN([C@@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001246959955 1037777858 /nfs/dbraw/zinc/77/78/58/1037777858.db2.gz UWHWBVRWHVGSQI-KRWDZBQOSA-N 1 3 384.495 3.798 20 0 GHADHO Fc1cccc(F)c1CN([C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246965804 1037786476 /nfs/dbraw/zinc/78/64/76/1037786476.db2.gz SHHMQLSQRBFGJJ-HXUWFJFHSA-N 1 3 385.502 3.793 20 0 GHADHO C[N@@H+](Cc1cccc(Br)c1N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001232526625 1038290815 /nfs/dbraw/zinc/29/08/15/1038290815.db2.gz LOWIUBFRGDAPFM-KRWDZBQOSA-N 1 3 388.353 3.985 20 0 GHADHO C[N@H+](Cc1cccc(Br)c1N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001232526625 1038290817 /nfs/dbraw/zinc/29/08/17/1038290817.db2.gz LOWIUBFRGDAPFM-KRWDZBQOSA-N 1 3 388.353 3.985 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4ncoc4c3)C[C@@H]21 ZINC001232942489 1038721994 /nfs/dbraw/zinc/72/19/94/1038721994.db2.gz ZXJKHEKSMZHBQH-RCZSKKKRSA-N 1 3 376.504 3.955 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4ncoc4c3)C[C@@H]21 ZINC001232942489 1038722005 /nfs/dbraw/zinc/72/20/05/1038722005.db2.gz ZXJKHEKSMZHBQH-RCZSKKKRSA-N 1 3 376.504 3.955 20 0 GHADHO CCOc1ccc([C@@H]2CCCN2C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252928723 1039265528 /nfs/dbraw/zinc/26/55/28/1039265528.db2.gz BEFZGRRXIPLZGL-BJKOFHAPSA-N 1 3 380.532 3.859 20 0 GHADHO CCOc1ccc([C@@H]2CCCN2C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252928723 1039265539 /nfs/dbraw/zinc/26/55/39/1039265539.db2.gz BEFZGRRXIPLZGL-BJKOFHAPSA-N 1 3 380.532 3.859 20 0 GHADHO COC(=O)c1ccc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1OC ZINC001233534537 1039421964 /nfs/dbraw/zinc/42/19/64/1039421964.db2.gz UKZYNEOTVZGJMN-UHFFFAOYSA-N 1 3 394.515 3.580 20 0 GHADHO COC(=O)c1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1OC ZINC001233534537 1039421969 /nfs/dbraw/zinc/42/19/69/1039421969.db2.gz UKZYNEOTVZGJMN-UHFFFAOYSA-N 1 3 394.515 3.580 20 0 GHADHO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001253830822 1039838102 /nfs/dbraw/zinc/83/81/02/1039838102.db2.gz RGAKBWKMWWCZES-ZCYQVOJMSA-N 1 3 394.559 3.723 20 0 GHADHO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001253830822 1039838128 /nfs/dbraw/zinc/83/81/28/1039838128.db2.gz RGAKBWKMWWCZES-ZCYQVOJMSA-N 1 3 394.559 3.723 20 0 GHADHO C[C@@H]1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC001254427350 1040225573 /nfs/dbraw/zinc/22/55/73/1040225573.db2.gz NMAGLAJQFWSUTO-VWRAKTAISA-N 1 3 386.584 3.555 20 0 GHADHO c1ccc2c(c1)CCC([N@H+]1CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C1)CC2 ZINC001254460248 1040249002 /nfs/dbraw/zinc/24/90/02/1040249002.db2.gz ABFXUCKIHAJWCM-ILBGXUMGSA-N 1 3 391.559 3.552 20 0 GHADHO c1ccc2c(c1)CCC([N@@H+]1CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C1)CC2 ZINC001254460248 1040249018 /nfs/dbraw/zinc/24/90/18/1040249018.db2.gz ABFXUCKIHAJWCM-ILBGXUMGSA-N 1 3 391.559 3.552 20 0 GHADHO Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@H]3CCCN(C)CC3)ccc12 ZINC001254510225 1040288948 /nfs/dbraw/zinc/28/89/48/1040288948.db2.gz UAFLSGHXFFCVFR-PXNSSMCTSA-N 1 3 399.535 3.529 20 0 GHADHO CC(C)CN1c2ccccc2C2(CCN([C@H]3CCC[N@H+](C)CC3)CC2)CC1=O ZINC001254520935 1040295438 /nfs/dbraw/zinc/29/54/38/1040295438.db2.gz GQELQAUYEFAIIG-FQEVSTJZSA-N 1 3 383.580 3.897 20 0 GHADHO CC(C)CN1c2ccccc2C2(CCN([C@H]3CCC[N@@H+](C)CC3)CC2)CC1=O ZINC001254520935 1040295456 /nfs/dbraw/zinc/29/54/56/1040295456.db2.gz GQELQAUYEFAIIG-FQEVSTJZSA-N 1 3 383.580 3.897 20 0 GHADHO COc1cc(Cl)cc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)c1OC ZINC001235085627 1040572076 /nfs/dbraw/zinc/57/20/76/1040572076.db2.gz BJWZZEORQFHPDD-UHFFFAOYSA-N 1 3 386.923 3.994 20 0 GHADHO Clc1ncnc2ccc(CN3CCC4(CC3)C[NH2+]Cc3ccccc34)cc12 ZINC001235091790 1040581016 /nfs/dbraw/zinc/58/10/16/1040581016.db2.gz SPWXSVJHEMADQO-UHFFFAOYSA-N 1 3 378.907 3.920 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]C3CCN(CC4CCCC4)CC3)C[C@@H]2C1 ZINC001254895607 1040651120 /nfs/dbraw/zinc/65/11/20/1040651120.db2.gz XXOSDFBAFVKKSS-KXTWHKPSSA-N 1 3 391.600 3.876 20 0 GHADHO Brc1cc(CN2CCCC[C@H]2C2CC[NH2+]CC2)cc2c1OCO2 ZINC001235158129 1040651888 /nfs/dbraw/zinc/65/18/88/1040651888.db2.gz UWEPKHGOHKGTIL-INIZCTEOSA-N 1 3 381.314 3.532 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001235166226 1040657710 /nfs/dbraw/zinc/65/77/10/1040657710.db2.gz PEEWLCHDQIMPQX-UNMCSNQZSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001235166226 1040657721 /nfs/dbraw/zinc/65/77/21/1040657721.db2.gz PEEWLCHDQIMPQX-UNMCSNQZSA-N 1 3 386.584 3.605 20 0 GHADHO Brc1ccnc2[nH]cc(CN3CCC([C@@H]4CCCC[NH2+]4)CC3)c21 ZINC001235230190 1040709069 /nfs/dbraw/zinc/70/90/69/1040709069.db2.gz SQTPOOOFXYAKBL-INIZCTEOSA-N 1 3 377.330 3.680 20 0 GHADHO O[C@]1(C(F)(F)F)CCCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255136418 1040838990 /nfs/dbraw/zinc/83/89/90/1040838990.db2.gz LACBTGFKUUWRFM-FUMNGEBKSA-N 1 3 382.470 3.961 20 0 GHADHO O[C@]1(C(F)(F)F)CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255136418 1040838992 /nfs/dbraw/zinc/83/89/92/1040838992.db2.gz LACBTGFKUUWRFM-FUMNGEBKSA-N 1 3 382.470 3.961 20 0 GHADHO FC(F)(F)c1nn([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c1CCNC2 ZINC001255149377 1040865657 /nfs/dbraw/zinc/86/56/57/1040865657.db2.gz GXZVOEAAJHPLGB-BJWYYQGGSA-N 1 3 390.453 3.916 20 0 GHADHO FC(F)(F)c1nn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1CCNC2 ZINC001255149377 1040865671 /nfs/dbraw/zinc/86/56/71/1040865671.db2.gz GXZVOEAAJHPLGB-BJWYYQGGSA-N 1 3 390.453 3.916 20 0 GHADHO COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150927 1040872790 /nfs/dbraw/zinc/87/27/90/1040872790.db2.gz QCEDPETZIBBEBR-CIAFKFPVSA-N 1 3 393.531 3.739 20 0 GHADHO COc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150927 1040872801 /nfs/dbraw/zinc/87/28/01/1040872801.db2.gz QCEDPETZIBBEBR-CIAFKFPVSA-N 1 3 393.531 3.739 20 0 GHADHO Cc1cc(O[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)ncn1 ZINC001255150638 1040873656 /nfs/dbraw/zinc/87/36/56/1040873656.db2.gz ODTYKKWRHHCCRQ-KAOXLYBCSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)ncn1 ZINC001255150638 1040873672 /nfs/dbraw/zinc/87/36/72/1040873672.db2.gz ODTYKKWRHHCCRQ-KAOXLYBCSA-N 1 3 392.547 3.824 20 0 GHADHO Ic1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235427857 1040928833 /nfs/dbraw/zinc/92/88/33/1040928833.db2.gz UDNKSDDUJMSEIF-HZPDHXFCSA-N 1 3 384.305 3.503 20 0 GHADHO COc1c(C)cc(Br)cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431199 1040932184 /nfs/dbraw/zinc/93/21/84/1040932184.db2.gz MQBNVSHHCRNTDR-HZPDHXFCSA-N 1 3 381.358 3.978 20 0 GHADHO COC(=O)C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391674 1040980091 /nfs/dbraw/zinc/98/00/91/1040980091.db2.gz BFVCYFLWTYFOKF-GGAORHGYSA-N 1 3 396.531 3.944 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCN[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001235791669 1041286048 /nfs/dbraw/zinc/28/60/48/1041286048.db2.gz SGAHBYYQVFCETA-JOCHJYFZSA-N 1 3 387.955 3.817 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]CCCOC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255940833 1041429959 /nfs/dbraw/zinc/42/99/59/1041429959.db2.gz HEUNEMDNQWCPOZ-SFHVURJKSA-N 1 3 385.593 3.503 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)NC[C@]1(C)CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC001255945372 1041430719 /nfs/dbraw/zinc/43/07/19/1041430719.db2.gz DNFWLXOOVROYLD-APWZRJJASA-N 1 3 391.547 3.979 20 0 GHADHO CC[NH+](CC)CC[C@H](C)NC[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255947207 1041431875 /nfs/dbraw/zinc/43/18/75/1041431875.db2.gz PISYPRLQIOFHFD-RBUKOAKNSA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001255947207 1041431879 /nfs/dbraw/zinc/43/18/79/1041431879.db2.gz PISYPRLQIOFHFD-RBUKOAKNSA-N 1 3 397.604 3.503 20 0 GHADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960023 1041438485 /nfs/dbraw/zinc/43/84/85/1041438485.db2.gz CPOWPHSMDKQJHB-KKSFZXQISA-N 1 3 379.495 3.514 20 0 GHADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960023 1041438493 /nfs/dbraw/zinc/43/84/93/1041438493.db2.gz CPOWPHSMDKQJHB-KKSFZXQISA-N 1 3 379.495 3.514 20 0 GHADHO COCCCN(Cc1c[nH]c2cc(F)c(Br)cc12)C1CC[NH2+]CC1 ZINC001235939984 1041446452 /nfs/dbraw/zinc/44/64/52/1041446452.db2.gz KYSRURUTOGXEPH-UHFFFAOYSA-N 1 3 398.320 3.660 20 0 GHADHO COCCC[N@H+](Cc1c[nH]c2cc(F)c(Br)cc12)C1CCNCC1 ZINC001235939984 1041446463 /nfs/dbraw/zinc/44/64/63/1041446463.db2.gz KYSRURUTOGXEPH-UHFFFAOYSA-N 1 3 398.320 3.660 20 0 GHADHO COCCC[N@@H+](Cc1c[nH]c2cc(F)c(Br)cc12)C1CCNCC1 ZINC001235939984 1041446476 /nfs/dbraw/zinc/44/64/76/1041446476.db2.gz KYSRURUTOGXEPH-UHFFFAOYSA-N 1 3 398.320 3.660 20 0 GHADHO c1ccc2c(c1)CN(Cc1ccc(OC3CCOCC3)cc1)CC21CC[NH2+]CC1 ZINC001235973496 1041477707 /nfs/dbraw/zinc/47/77/07/1041477707.db2.gz LOYCUSKXROIHNV-UHFFFAOYSA-N 1 3 392.543 3.881 20 0 GHADHO COc1cc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc2c1OCC=C2 ZINC001235980871 1041483788 /nfs/dbraw/zinc/48/37/88/1041483788.db2.gz SADFOKWALBLZTP-UHFFFAOYSA-N 1 3 376.500 3.738 20 0 GHADHO Brc1cccc2c1C[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001256127687 1041558532 /nfs/dbraw/zinc/55/85/32/1041558532.db2.gz LOIOJZFLVWVAGJ-BZSNNMDCSA-N 1 3 393.369 3.539 20 0 GHADHO CN(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220088 1041628904 /nfs/dbraw/zinc/62/89/04/1041628904.db2.gz YIELPWOUXSXBFD-ZCYQVOJMSA-N 1 3 392.591 3.711 20 0 GHADHO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)Cc2ccccc2N2CCOCC2)CC1 ZINC001236536783 1041755582 /nfs/dbraw/zinc/75/55/82/1041755582.db2.gz HJXSVDZIJHDGLT-HZCBDIJESA-N 1 3 397.538 3.934 20 0 GHADHO N[C@H]1CC[N@@H+](C2CCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)CC2)C1 ZINC001236615906 1041782654 /nfs/dbraw/zinc/78/26/54/1041782654.db2.gz KJQZBDFUFINYPJ-FQEVSTJZSA-N 1 3 399.966 3.916 20 0 GHADHO N[C@H]1CC[N@H+](C2CCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)CC2)C1 ZINC001236615906 1041782658 /nfs/dbraw/zinc/78/26/58/1041782658.db2.gz KJQZBDFUFINYPJ-FQEVSTJZSA-N 1 3 399.966 3.916 20 0 GHADHO COc1cc(O)cc(OC)c1CN(Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236729109 1041861165 /nfs/dbraw/zinc/86/11/65/1041861165.db2.gz MQERAKUMKLTRFL-WGSAOQKQSA-N 1 3 384.520 3.990 20 0 GHADHO COc1cc(CN2CCC3(CC[C@H]3[NH3+])CC2)c(OCc2ccccc2)cc1OC ZINC001237356462 1042166507 /nfs/dbraw/zinc/16/65/07/1042166507.db2.gz KIZRNPJEWAKIQF-HSZRJFAPSA-N 1 3 396.531 3.986 20 0 GHADHO COC(=O)c1ccc(COc2ccccc2CN2CCC3(CC[C@H]3[NH3+])CC2)cc1 ZINC001237357968 1042167282 /nfs/dbraw/zinc/16/72/82/1042167282.db2.gz BCEXXWXLYRGWFL-JOCHJYFZSA-N 1 3 394.515 3.756 20 0 GHADHO CCOC(=O)[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)cc2)CCC12C[NH2+]C2 ZINC001237430287 1042205358 /nfs/dbraw/zinc/20/53/58/1042205358.db2.gz LODHHFJFNCUMFV-OAQYLSRUSA-N 1 3 398.478 3.593 20 0 GHADHO CC(C)c1cc(Br)ccc1CN1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001237731132 1042343595 /nfs/dbraw/zinc/34/35/95/1042343595.db2.gz DVUFLQQVKPBQSX-VQTJNVASSA-N 1 3 394.401 3.783 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cccc4c3OCC4)C[C@@H]21 ZINC001237748985 1042352126 /nfs/dbraw/zinc/35/21/26/1042352126.db2.gz HSLWZTJDCHFQRD-AJSBUHFISA-N 1 3 377.532 3.749 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cccc4c3OCC4)C[C@@H]21 ZINC001237748985 1042352132 /nfs/dbraw/zinc/35/21/32/1042352132.db2.gz HSLWZTJDCHFQRD-AJSBUHFISA-N 1 3 377.532 3.749 20 0 GHADHO CC(C)c1ccc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(Br)c1 ZINC001238266033 1042536987 /nfs/dbraw/zinc/53/69/87/1042536987.db2.gz FUBWJLDCFJODLD-VQTJNVASSA-N 1 3 394.401 3.783 20 0 GHADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(CCc3ccc(F)cc3Cl)C2)C1 ZINC001278238709 1042611539 /nfs/dbraw/zinc/61/15/39/1042611539.db2.gz PZGBDFSLUSIUND-NRFANRHFSA-N 1 3 381.967 3.761 20 0 GHADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(CCc3ccc(F)cc3Cl)C2)C1 ZINC001278238709 1042611542 /nfs/dbraw/zinc/61/15/42/1042611542.db2.gz PZGBDFSLUSIUND-NRFANRHFSA-N 1 3 381.967 3.761 20 0 GHADHO CN(CCC[NH3+])CCCNC(=S)Nc1ccc(Cl)c(Cl)c1Cl ZINC001239375281 1042816017 /nfs/dbraw/zinc/81/60/17/1042816017.db2.gz DZCQMVMHTUOAMT-UHFFFAOYSA-N 1 3 383.776 3.604 20 0 GHADHO CC[C@H](C)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC[NH+](C(C)C)C(C)C ZINC001291472287 1043286596 /nfs/dbraw/zinc/28/65/96/1043286596.db2.gz OGRKIGFELXMDLL-XUVXKRRUSA-N 1 3 392.636 3.829 20 0 GHADHO C[C@H]1C[C@H](n2nc(C(F)(F)F)c3c2CCNC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552939 1043518934 /nfs/dbraw/zinc/51/89/34/1043518934.db2.gz DIFTZPMBSVGZLQ-GOEBONIOSA-N 1 3 378.442 3.773 20 0 GHADHO C[C@H]1C[C@H](n2nc(C(F)(F)F)c3c2CCNC3)CC[N@H+]1Cc1ccccc1 ZINC001256552939 1043518943 /nfs/dbraw/zinc/51/89/43/1043518943.db2.gz DIFTZPMBSVGZLQ-GOEBONIOSA-N 1 3 378.442 3.773 20 0 GHADHO [NH3+]CCCc1nc2ccc(Cl)cc2n1C1CCN(Cc2ccncc2)CC1 ZINC001256582586 1043552611 /nfs/dbraw/zinc/55/26/11/1043552611.db2.gz XABJMHBYPZQANX-UHFFFAOYSA-N 1 3 383.927 3.813 20 0 GHADHO Cc1ccc2c(c1)C(=O)CC1(CCN(C3CCN(c4cc[nH+]cc4)CC3)CC1)O2 ZINC001256862127 1043707919 /nfs/dbraw/zinc/70/79/19/1043707919.db2.gz IPOITVXROKSKRZ-UHFFFAOYSA-N 1 3 391.515 3.859 20 0 GHADHO CC[C@@](N)(CO)NC1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256925780 1043754361 /nfs/dbraw/zinc/75/43/61/1043754361.db2.gz NSRROWYBECRTAP-VHYCJAOWSA-N 1 3 381.564 3.647 20 0 GHADHO CC[C@H]1C[C@@H](N2CCN(c3cc[nH+]cc3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001257141162 1043891012 /nfs/dbraw/zinc/89/10/12/1043891012.db2.gz HEQRAKSVZWFPJZ-OALUTQOASA-N 1 3 388.556 3.690 20 0 GHADHO c1ccc(COC2CCC([NH2+]C3CCN(CC4CCOCC4)CC3)CC2)cc1 ZINC001257827159 1044206957 /nfs/dbraw/zinc/20/69/57/1044206957.db2.gz RDMPSSCWUMUNBB-UHFFFAOYSA-N 1 3 386.580 3.995 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001258001462 1044329527 /nfs/dbraw/zinc/32/95/27/1044329527.db2.gz RPHPLVQUAFOIHE-MOPGFXCFSA-N 1 3 381.605 3.980 20 0 GHADHO CC(C)CN1CCC([N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001258013222 1044338706 /nfs/dbraw/zinc/33/87/06/1044338706.db2.gz NDNMVBPTBPUXFK-SIKLNZKXSA-N 1 3 397.579 3.778 20 0 GHADHO CC(C)CN1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001258013222 1044338719 /nfs/dbraw/zinc/33/87/19/1044338719.db2.gz NDNMVBPTBPUXFK-SIKLNZKXSA-N 1 3 397.579 3.778 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578065 1044652988 /nfs/dbraw/zinc/65/29/88/1044652988.db2.gz MCXDPPJEXOFYIS-REWPJTCUSA-N 1 3 379.548 3.665 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578065 1044652995 /nfs/dbraw/zinc/65/29/95/1044652995.db2.gz MCXDPPJEXOFYIS-REWPJTCUSA-N 1 3 379.548 3.665 20 0 GHADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(C)c3Cl)(C1)CCC2 ZINC001279656615 1047898063 /nfs/dbraw/zinc/89/80/63/1047898063.db2.gz NAQVQKAGTVLTPQ-UXHICEINSA-N 1 3 384.923 3.933 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC001308270374 1049932708 /nfs/dbraw/zinc/93/27/08/1049932708.db2.gz UVDSUYISPIHOJC-KSSFIOAISA-N 1 3 387.337 3.815 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC001308515577 1049995821 /nfs/dbraw/zinc/99/58/21/1049995821.db2.gz ZOXPQSJHXIWRJT-LJQANCHMSA-N 1 3 379.548 3.832 20 0 GHADHO C[NH+](C)CCCC(C)(C)NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC001308776335 1050090191 /nfs/dbraw/zinc/09/01/91/1050090191.db2.gz WKFOHWYSUILIKZ-UHFFFAOYSA-N 1 3 382.549 3.644 20 0 GHADHO CC(C)(C)[C@]1(C[NH+]2CCC3(CC2)COCCO3)CCN(Cc2ccccc2)C1 ZINC001308915224 1050164063 /nfs/dbraw/zinc/16/40/63/1050164063.db2.gz KJCYFWAXFGPEMN-QHCPKHFHSA-N 1 3 386.580 3.806 20 0 GHADHO COc1cc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc2ccccc21 ZINC001327946868 1050333648 /nfs/dbraw/zinc/33/36/48/1050333648.db2.gz WNFGNPDSLZZHKS-UHFFFAOYSA-N 1 3 389.543 3.886 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001311384503 1052077258 /nfs/dbraw/zinc/07/72/58/1052077258.db2.gz NHCOKVCFKJLKPV-FXAWDEMLSA-N 1 3 394.579 3.874 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001311384503 1052077269 /nfs/dbraw/zinc/07/72/69/1052077269.db2.gz NHCOKVCFKJLKPV-FXAWDEMLSA-N 1 3 394.579 3.874 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@H](O)c1ccc(F)c(F)c1)c1ccccc1O2 ZINC001335345204 1052080443 /nfs/dbraw/zinc/08/04/43/1052080443.db2.gz JKCJLGIAQNJZAD-PMACEKPBSA-N 1 3 388.458 3.576 20 0 GHADHO O[C@H](C[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC001336135204 1052231376 /nfs/dbraw/zinc/23/13/76/1052231376.db2.gz GTZNNMXLRFPVDO-POEKJWFMSA-N 1 3 394.559 3.646 20 0 GHADHO O[C@H](C[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001336135204 1052231383 /nfs/dbraw/zinc/23/13/83/1052231383.db2.gz GTZNNMXLRFPVDO-POEKJWFMSA-N 1 3 394.559 3.646 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NCCC(=O)Nc1ccccc1)c1ccccc1O2 ZINC001336722172 1052316067 /nfs/dbraw/zinc/31/60/67/1052316067.db2.gz KNXIDPOHATWWOG-HXUWFJFHSA-N 1 3 379.504 3.593 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)N(C)C)cc1 ZINC001312818351 1052881674 /nfs/dbraw/zinc/88/16/74/1052881674.db2.gz LYZRFPMJUNIVMD-NRFANRHFSA-N 1 3 388.600 3.519 20 0 GHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001319393524 1055224522 /nfs/dbraw/zinc/22/45/22/1055224522.db2.gz LWPOYQJFYNIXJS-KOSHJBKYSA-N 1 3 381.539 3.986 20 0 GHADHO COc1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)ccc1F ZINC001319814502 1055484107 /nfs/dbraw/zinc/48/41/07/1055484107.db2.gz UUAHBQJDEYXCPA-UHFFFAOYSA-N 1 3 385.527 3.522 20 0 GHADHO C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001319959013 1055563593 /nfs/dbraw/zinc/56/35/93/1055563593.db2.gz BNXHFXFPPCKOBR-XBYSBRQOSA-N 1 3 383.580 3.525 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4c(c3)oc3ccccc34)CC2)CC1 ZINC001323569104 1056986905 /nfs/dbraw/zinc/98/69/05/1056986905.db2.gz WPYLQTZMSCLPSY-UHFFFAOYSA-N 1 3 391.515 3.874 20 0 GHADHO FC(F)CN1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001324703799 1057207526 /nfs/dbraw/zinc/20/75/26/1057207526.db2.gz BPLMSETVHSBXPF-CEWLAPEOSA-N 1 3 377.523 3.606 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC001326227296 1057437975 /nfs/dbraw/zinc/43/79/75/1057437975.db2.gz JRRDPZOSRYGKII-UNMCSNQZSA-N 1 3 383.580 3.588 20 0 GHADHO COc1ccc(C[C@@H](C)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849001509 1057508281 /nfs/dbraw/zinc/50/82/81/1057508281.db2.gz QCURLUOQIWUSRX-LJQANCHMSA-N 1 3 394.563 3.652 20 0 GHADHO C[C@@H](NC(=O)CN1CCCC2(CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001326584254 1057516571 /nfs/dbraw/zinc/51/65/71/1057516571.db2.gz SSWYGMZPGYMUES-CQSZACIVSA-N 1 3 384.351 3.636 20 0 GHADHO Cc1cccc(OCCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849054713 1057564286 /nfs/dbraw/zinc/56/42/86/1057564286.db2.gz JMVAYRSEBXCDGY-UHFFFAOYSA-N 1 3 380.536 3.542 20 0 GHADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001441245048 1058736969 /nfs/dbraw/zinc/73/69/69/1058736969.db2.gz UPIRDZJSUWCUSM-VXKWHMMOSA-N 1 3 383.580 3.594 20 0 GHADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001441245048 1058736979 /nfs/dbraw/zinc/73/69/79/1058736979.db2.gz UPIRDZJSUWCUSM-VXKWHMMOSA-N 1 3 383.580 3.594 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H](C(C)C)CC2)CC1 ZINC001459529001 1064121014 /nfs/dbraw/zinc/12/10/14/1064121014.db2.gz ZQETXBVGIRXKIB-NRFANRHFSA-N 1 3 385.596 3.834 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@@H](C)C1 ZINC001200459978 1066290829 /nfs/dbraw/zinc/29/08/29/1066290829.db2.gz RDZFTVSYIGJSCR-HKUYNNGSSA-N 1 3 394.629 3.668 20 0 GHADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001477677769 1078521496 /nfs/dbraw/zinc/52/14/96/1078521496.db2.gz QTNMGQGOYHYNPD-FQEVSTJZSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001467674800 1067411886 /nfs/dbraw/zinc/41/18/86/1067411886.db2.gz BBWRIZQGHPNTLT-GGAORHGYSA-N 1 3 398.595 3.530 20 0 GHADHO CC[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CCc2ccccc2C1 ZINC001467674800 1067411891 /nfs/dbraw/zinc/41/18/91/1067411891.db2.gz BBWRIZQGHPNTLT-GGAORHGYSA-N 1 3 398.595 3.530 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)N(C)C)cc1 ZINC001468351915 1067698845 /nfs/dbraw/zinc/69/88/45/1067698845.db2.gz SEYMURMTAPHJRN-FGZHOGPDSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)N(C)C)cc1 ZINC001468351915 1067698848 /nfs/dbraw/zinc/69/88/48/1067698848.db2.gz SEYMURMTAPHJRN-FGZHOGPDSA-N 1 3 386.584 3.694 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)[NH+]2CCCC2)cc1 ZINC001468387245 1067713785 /nfs/dbraw/zinc/71/37/85/1067713785.db2.gz AFODIWGJPSEFRF-QHCPKHFHSA-N 1 3 398.595 3.792 20 0 GHADHO [NH2+]=C(NCc1c(F)c(F)cc(F)c1F)NC1CCN(Cc2ccccc2)CC1 ZINC000849105577 1067730748 /nfs/dbraw/zinc/73/07/48/1067730748.db2.gz WEUAHCJNHBJTNC-UHFFFAOYSA-N 1 3 394.416 3.522 20 0 GHADHO COc1cccc([C@@H]2C[C@H]2CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849117689 1067736740 /nfs/dbraw/zinc/73/67/40/1067736740.db2.gz QQQJYTGAJRKEHS-REWPJTCUSA-N 1 3 392.547 3.577 20 0 GHADHO C[C@H]1C[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001469315132 1068095591 /nfs/dbraw/zinc/09/55/91/1068095591.db2.gz AENKFCVHPFWBET-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H]1C[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001469315132 1068095606 /nfs/dbraw/zinc/09/56/06/1068095606.db2.gz AENKFCVHPFWBET-REWPJTCUSA-N 1 3 398.595 3.557 20 0 GHADHO CCN(CC)[C@@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655684858 837669279 /nfs/dbraw/zinc/66/92/79/837669279.db2.gz ZOAMKNGDVDJYCI-RXVVDRJESA-N 1 3 379.976 3.566 20 0 GHADHO c1ccc(OCc2cccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)c2)cc1 ZINC000655696708 837687894 /nfs/dbraw/zinc/68/78/94/837687894.db2.gz JONFVTPIGAYGJY-DEOSSOPVSA-N 1 3 380.532 3.999 20 0 GHADHO C[C@@H]1C[C@H](NCCc2nnc(-c3ccccc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000090659939 834618594 /nfs/dbraw/zinc/61/85/94/834618594.db2.gz VIAHQUPOVJDPNI-WIYYLYMNSA-N 1 3 376.504 3.922 20 0 GHADHO C[C@@H]1C[C@H](NCCc2nnc(-c3ccccc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000090659939 834618601 /nfs/dbraw/zinc/61/86/01/834618601.db2.gz VIAHQUPOVJDPNI-WIYYLYMNSA-N 1 3 376.504 3.922 20 0 GHADHO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654836383 834647077 /nfs/dbraw/zinc/64/70/77/834647077.db2.gz KNTAIIINUCGZFW-QHCPKHFHSA-N 1 3 399.623 3.971 20 0 GHADHO CCOc1cc(CNCc2ccccc2C[NH2+]C)cc(Br)c1OC ZINC000650718846 834658776 /nfs/dbraw/zinc/65/87/76/834658776.db2.gz XVJASIORUCIBDR-UHFFFAOYSA-N 1 3 393.325 3.866 20 0 GHADHO C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511255463 834717154 /nfs/dbraw/zinc/71/71/54/834717154.db2.gz YJLHQGDHZBAKMU-PZJWPPBQSA-N 1 3 390.616 3.547 20 0 GHADHO C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511255463 834717160 /nfs/dbraw/zinc/71/71/60/834717160.db2.gz YJLHQGDHZBAKMU-PZJWPPBQSA-N 1 3 390.616 3.547 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655749881 837811455 /nfs/dbraw/zinc/81/14/55/837811455.db2.gz JJDXUKQSUUNONK-OAQYLSRUSA-N 1 3 389.609 3.599 20 0 GHADHO c1ncn(-c2ccccc2C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)n1 ZINC000685632441 835240201 /nfs/dbraw/zinc/24/02/01/835240201.db2.gz SNVOYZYHKNMVGH-OAQYLSRUSA-N 1 3 375.520 3.659 20 0 GHADHO COc1cc2ccc([C@H](C)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2cc1OC ZINC000657924921 835250433 /nfs/dbraw/zinc/25/04/33/835250433.db2.gz JNOBWELFNNEKNI-USCONSEESA-N 1 3 398.547 3.885 20 0 GHADHO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000683229767 835325024 /nfs/dbraw/zinc/32/50/24/835325024.db2.gz WENLMUUAUYZIEJ-DAQNBYSMSA-N 1 3 382.523 3.792 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000658074089 835399038 /nfs/dbraw/zinc/39/90/38/835399038.db2.gz RKBYXMMHOTVQEL-CCDWMCETSA-N 1 3 391.559 3.713 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000658074089 835399050 /nfs/dbraw/zinc/39/90/50/835399050.db2.gz RKBYXMMHOTVQEL-CCDWMCETSA-N 1 3 391.559 3.713 20 0 GHADHO COc1ccc([C@@H](Cc2ccc(F)cc2)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000151369385 835405023 /nfs/dbraw/zinc/40/50/23/835405023.db2.gz YKBMDNUNNKAKSX-HSZRJFAPSA-N 1 3 386.511 3.555 20 0 GHADHO Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000132801486 835425078 /nfs/dbraw/zinc/42/50/78/835425078.db2.gz QNMXAJVHWKVIAX-KUHUBIRLSA-N 1 3 379.342 3.527 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136486 835445666 /nfs/dbraw/zinc/44/56/66/835445666.db2.gz HDUUPNRRLXHZOT-ISKFKSNPSA-N 1 3 392.543 3.745 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136486 835445669 /nfs/dbraw/zinc/44/56/69/835445669.db2.gz HDUUPNRRLXHZOT-ISKFKSNPSA-N 1 3 392.543 3.745 20 0 GHADHO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166853 835481343 /nfs/dbraw/zinc/48/13/43/835481343.db2.gz QDJLYOCXPWPDCM-QHCPKHFHSA-N 1 3 385.527 3.670 20 0 GHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000658168874 835482710 /nfs/dbraw/zinc/48/27/10/835482710.db2.gz ZTWXFPMXSJNCCY-IBGZPJMESA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000658168876 835483696 /nfs/dbraw/zinc/48/36/96/835483696.db2.gz ZTWXFPMXSJNCCY-LJQANCHMSA-N 1 3 375.520 3.830 20 0 GHADHO C[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000081156134 835932994 /nfs/dbraw/zinc/93/29/94/835932994.db2.gz VYIYPHNFDGGIQD-FQEVSTJZSA-N 1 3 379.548 3.708 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180157106 836099084 /nfs/dbraw/zinc/09/90/84/836099084.db2.gz YRASGOSXZZIXIR-KWDCZQRMSA-N 1 3 395.591 3.953 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180157106 836099090 /nfs/dbraw/zinc/09/90/90/836099090.db2.gz YRASGOSXZZIXIR-KWDCZQRMSA-N 1 3 395.591 3.953 20 0 GHADHO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000612407641 836175255 /nfs/dbraw/zinc/17/52/55/836175255.db2.gz WJITZGUMIPNKSE-FPOVZHCZSA-N 1 3 396.531 3.801 20 0 GHADHO C[C@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)N1[C@H](C)CC[C@H]1C ZINC000413753261 836250175 /nfs/dbraw/zinc/25/01/75/836250175.db2.gz DQSIJDUKTJKZGC-GUDVDZBRSA-N 1 3 386.584 3.664 20 0 GHADHO O=C(CNC1(c2ccccc2)CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170907025 836931198 /nfs/dbraw/zinc/93/11/98/836931198.db2.gz JABAFNCBAYSVED-UHFFFAOYSA-N 1 3 377.532 3.568 20 0 GHADHO CSc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414323668 837124004 /nfs/dbraw/zinc/12/40/04/837124004.db2.gz JJJYOZKWAIUXDR-QGZVFWFLSA-N 1 3 397.588 3.957 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1 ZINC000659028005 837292512 /nfs/dbraw/zinc/29/25/12/837292512.db2.gz KOMCUAAPZQEQKM-YADHBBJMSA-N 1 3 396.535 3.552 20 0 GHADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655763315 837839359 /nfs/dbraw/zinc/83/93/59/837839359.db2.gz NBBSTZRABRKQIT-GOTSBHOMSA-N 1 3 385.596 3.520 20 0 GHADHO [NH3+]Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000647607189 837850246 /nfs/dbraw/zinc/85/02/46/837850246.db2.gz AZSVVALYDAFAHX-LJQANCHMSA-N 1 3 377.410 3.538 20 0 GHADHO CC1CCN([C@@H](CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)c2cccs2)CC1 ZINC000659262665 838025473 /nfs/dbraw/zinc/02/54/73/838025473.db2.gz KSYRNEOQUYKYDR-UXHICEINSA-N 1 3 383.561 3.872 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000659306954 838239600 /nfs/dbraw/zinc/23/96/00/838239600.db2.gz KDVRKDDNQJJUFT-QHCPKHFHSA-N 1 3 377.532 3.769 20 0 GHADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000151134203 838258740 /nfs/dbraw/zinc/25/87/40/838258740.db2.gz BKCTVKKASHSEDS-LSDHHAIUSA-N 1 3 387.446 3.624 20 0 GHADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000151134203 838258744 /nfs/dbraw/zinc/25/87/44/838258744.db2.gz BKCTVKKASHSEDS-LSDHHAIUSA-N 1 3 387.446 3.624 20 0 GHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000151134203 838258750 /nfs/dbraw/zinc/25/87/50/838258750.db2.gz BKCTVKKASHSEDS-LSDHHAIUSA-N 1 3 387.446 3.624 20 0 GHADHO Cc1cnccc1OC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000683726817 838450598 /nfs/dbraw/zinc/45/05/98/838450598.db2.gz LQYSBRBBWQVGRX-UHFFFAOYSA-N 1 3 395.547 3.908 20 0 GHADHO O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000782935201 838456376 /nfs/dbraw/zinc/45/63/76/838456376.db2.gz YPVAXQSRHWDXCD-FQEVSTJZSA-N 1 3 397.563 3.651 20 0 GHADHO O=C1c2ccccc2C(=O)N1CCCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000782935201 838456380 /nfs/dbraw/zinc/45/63/80/838456380.db2.gz YPVAXQSRHWDXCD-FQEVSTJZSA-N 1 3 397.563 3.651 20 0 GHADHO O=C1c2ccccc2C(=O)N1CCCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000782935201 838456386 /nfs/dbraw/zinc/45/63/86/838456386.db2.gz YPVAXQSRHWDXCD-FQEVSTJZSA-N 1 3 397.563 3.651 20 0 GHADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000416184548 838678963 /nfs/dbraw/zinc/67/89/63/838678963.db2.gz OZHLCPVDXNVAOL-QHCPKHFHSA-N 1 3 394.563 3.849 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc4ccccc43)CC2)CC1 ZINC000107578667 838782038 /nfs/dbraw/zinc/78/20/38/838782038.db2.gz GGDIAAPLYQRNCV-BJKOFHAPSA-N 1 3 391.559 3.618 20 0 GHADHO Brc1cccc(OCCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415072844 839170394 /nfs/dbraw/zinc/17/03/94/839170394.db2.gz AEBORYUXKGPZGI-MJGOQNOKSA-N 1 3 375.310 3.911 20 0 GHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c(Cl)cccc3N3CCCC3)CC2)C1 ZINC000415119896 839238284 /nfs/dbraw/zinc/23/82/84/839238284.db2.gz FTBODVHMNJIMRE-DYESRHJHSA-N 1 3 377.960 3.659 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000580463586 839602412 /nfs/dbraw/zinc/60/24/12/839602412.db2.gz SNQAAYUMWWFSMF-PKTZIBPZSA-N 1 3 383.580 3.635 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000580463585 839602626 /nfs/dbraw/zinc/60/26/26/839602626.db2.gz SNQAAYUMWWFSMF-GOTSBHOMSA-N 1 3 383.580 3.635 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000418499515 840334176 /nfs/dbraw/zinc/33/41/76/840334176.db2.gz YDXOBHKIKOATQO-MOPGFXCFSA-N 1 3 380.536 3.512 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CC(c3ccc(F)cc3)C2)cc1 ZINC000128160095 840672863 /nfs/dbraw/zinc/67/28/63/840672863.db2.gz CDUOQBNEAFIZHV-UHFFFAOYSA-N 1 3 395.522 3.687 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000417351508 840747968 /nfs/dbraw/zinc/74/79/68/840747968.db2.gz CXDRQVMANYBWMX-PKTZIBPZSA-N 1 3 394.563 3.911 20 0 GHADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653588 841059356 /nfs/dbraw/zinc/05/93/56/841059356.db2.gz BXWUUGJJDAWXOF-ISKFKSNPSA-N 1 3 380.532 3.511 20 0 GHADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653588 841059369 /nfs/dbraw/zinc/05/93/69/841059369.db2.gz BXWUUGJJDAWXOF-ISKFKSNPSA-N 1 3 380.532 3.511 20 0 GHADHO COc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)N2CCCC2)cc1 ZINC000044292448 841279810 /nfs/dbraw/zinc/27/98/10/841279810.db2.gz IAPLHUMHPCCLPL-JOCHJYFZSA-N 1 3 396.535 3.715 20 0 GHADHO CC(C)n1ncc2cc(CN3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cnc21 ZINC000177510647 861193664 /nfs/dbraw/zinc/19/36/64/861193664.db2.gz CSXPNNXRJLPQAR-RTBURBONSA-N 1 3 399.583 3.724 20 0 GHADHO CC(C)n1ncc2cc(C[NH+]3CCC(CCN4C[C@@H](C)O[C@H](C)C4)CC3)cnc21 ZINC000177510647 861193665 /nfs/dbraw/zinc/19/36/65/861193665.db2.gz CSXPNNXRJLPQAR-RTBURBONSA-N 1 3 399.583 3.724 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@H](C)C1 ZINC000651710246 841410085 /nfs/dbraw/zinc/41/00/85/841410085.db2.gz VOFHRDDUSPTZKB-XXBNENTESA-N 1 3 384.568 3.716 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000510433371 841681939 /nfs/dbraw/zinc/68/19/39/841681939.db2.gz AXANCGYMJIEPDN-UHFFFAOYSA-N 1 3 379.504 3.876 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000510433371 841681942 /nfs/dbraw/zinc/68/19/42/841681942.db2.gz AXANCGYMJIEPDN-UHFFFAOYSA-N 1 3 379.504 3.876 20 0 GHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001167823203 841996060 /nfs/dbraw/zinc/99/60/60/841996060.db2.gz BWSXZVHRZPGNIH-XXTHSBEZSA-N 1 3 389.584 3.588 20 0 GHADHO COc1cc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000432358233 842168282 /nfs/dbraw/zinc/16/82/82/842168282.db2.gz LGZOVPQRRUNJAC-IBGZPJMESA-N 1 3 398.547 3.961 20 0 GHADHO COc1cc(CNCCC[N@H+]2CCCO[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000432358233 842168286 /nfs/dbraw/zinc/16/82/86/842168286.db2.gz LGZOVPQRRUNJAC-IBGZPJMESA-N 1 3 398.547 3.961 20 0 GHADHO CC(C)c1ccc(C2(O)CCC(N[C@H]3C[NH2+]CC4(CCOCC4)C3)CC2)cc1 ZINC000925795180 842204398 /nfs/dbraw/zinc/20/43/98/842204398.db2.gz JOQHATLTPDZPKD-XERBYJISSA-N 1 3 386.580 3.689 20 0 GHADHO CN(c1nc2cccc(OC(F)F)c2s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000663590615 842263996 /nfs/dbraw/zinc/26/39/96/842263996.db2.gz BMBCKBFGVDDCRU-AWEZNQCLSA-N 1 3 396.507 3.502 20 0 GHADHO C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1=CCN(C)CC1 ZINC000510484982 842496962 /nfs/dbraw/zinc/49/69/62/842496962.db2.gz ZLFTVPDCBAUYOP-VAMGGRTRSA-N 1 3 398.595 3.614 20 0 GHADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000178340390 861354916 /nfs/dbraw/zinc/35/49/16/861354916.db2.gz JCDQHBFVMNNBFA-KRWDZBQOSA-N 1 3 395.613 3.631 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000662258595 843033265 /nfs/dbraw/zinc/03/32/65/843033265.db2.gz KUKQRDMJBCENOE-UHFFFAOYSA-N 1 3 375.438 3.673 20 0 GHADHO Fc1cc2cccnc2c(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662327126 843141963 /nfs/dbraw/zinc/14/19/63/843141963.db2.gz KADMTLAWIYFTAV-UHFFFAOYSA-N 1 3 393.510 3.944 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000662389650 843176109 /nfs/dbraw/zinc/17/61/09/843176109.db2.gz YTXLZZJHDLODSA-JPYJTQIMSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000662389650 843176117 /nfs/dbraw/zinc/17/61/17/843176117.db2.gz YTXLZZJHDLODSA-JPYJTQIMSA-N 1 3 377.532 3.769 20 0 GHADHO COC1(c2noc(CC3CC[NH+](CCCN4CCCCC4)CC3)n2)CCCC1 ZINC000662377231 843176222 /nfs/dbraw/zinc/17/62/22/843176222.db2.gz LPKOJUOYEAMGGL-UHFFFAOYSA-N 1 3 390.572 3.616 20 0 GHADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC1 ZINC000068580507 843445369 /nfs/dbraw/zinc/44/53/69/843445369.db2.gz VJDIZMNTJSEJSS-UHFFFAOYSA-N 1 3 394.991 3.534 20 0 GHADHO CN(C)C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000418670285 843528060 /nfs/dbraw/zinc/52/80/60/843528060.db2.gz KGMDHEKYAURGGH-UXHICEINSA-N 1 3 388.943 3.722 20 0 GHADHO CC[NH+](CC)CCC[C@@H](C)N1CCO[C@H]2[C@H](OCc3cccc(C)n3)CC[C@@H]21 ZINC001167821096 843697014 /nfs/dbraw/zinc/69/70/14/843697014.db2.gz AQMXPXJPCNISED-CWKRKGSWSA-N 1 3 389.584 3.649 20 0 GHADHO CCCN1CCN(c2ccc(NC(=O)[C@H]([NH3+])c3ccccc3)cc2Cl)CC1 ZINC000236806091 843709057 /nfs/dbraw/zinc/70/90/57/843709057.db2.gz JLWCYBGWMYRVMP-HXUWFJFHSA-N 1 3 386.927 3.511 20 0 GHADHO FC1(F)CCC[C@H](CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444086 843817600 /nfs/dbraw/zinc/81/76/00/843817600.db2.gz KMQBWNZWYQPEPV-SFTDATJTSA-N 1 3 377.523 3.704 20 0 GHADHO FC1(F)CCC[C@H](CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444086 843817613 /nfs/dbraw/zinc/81/76/13/843817613.db2.gz KMQBWNZWYQPEPV-SFTDATJTSA-N 1 3 377.523 3.704 20 0 GHADHO O=C(NCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1cccs1 ZINC000512626574 844803901 /nfs/dbraw/zinc/80/39/01/844803901.db2.gz VJMWFCBEYJMCJK-QHAWAJNXSA-N 1 3 397.588 3.758 20 0 GHADHO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000512740214 845291252 /nfs/dbraw/zinc/29/12/52/845291252.db2.gz NSNYILOWIQAVEJ-YKSBVNFPSA-N 1 3 393.575 3.820 20 0 GHADHO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000512740214 845291278 /nfs/dbraw/zinc/29/12/78/845291278.db2.gz NSNYILOWIQAVEJ-YKSBVNFPSA-N 1 3 393.575 3.820 20 0 GHADHO COc1cc(CN2CCC[C@@](C)(OC)C2)cc(C[N@@H+]2CCC[C@@](C)(OC)C2)c1 ZINC000433181449 845618983 /nfs/dbraw/zinc/61/89/83/845618983.db2.gz JZHCKSLYQQPQEX-DHIUTWEWSA-N 1 3 390.568 3.697 20 0 GHADHO COc1cc(CN2CCC[C@@](C)(OC)C2)cc(C[N@H+]2CCC[C@@](C)(OC)C2)c1 ZINC000433181449 845618988 /nfs/dbraw/zinc/61/89/88/845618988.db2.gz JZHCKSLYQQPQEX-DHIUTWEWSA-N 1 3 390.568 3.697 20 0 GHADHO C[C@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001167529344 846076324 /nfs/dbraw/zinc/07/63/24/846076324.db2.gz JEXMWKCQDQWAKY-REWPJTCUSA-N 1 3 385.596 3.773 20 0 GHADHO CN1CCC([NH+]2CCC(NCc3ccc(Oc4ccc(F)cc4)nc3)CC2)CC1 ZINC000657338485 846355522 /nfs/dbraw/zinc/35/55/22/846355522.db2.gz YCRAUXWERAFSHR-UHFFFAOYSA-N 1 3 398.526 3.661 20 0 GHADHO CC(C)N1CC[NH+](C2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)CC1 ZINC000892194642 846433300 /nfs/dbraw/zinc/43/33/00/846433300.db2.gz WTPMUTWWJVMFFM-UHFFFAOYSA-N 1 3 394.563 3.864 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000502838071 846508775 /nfs/dbraw/zinc/50/87/75/846508775.db2.gz CKHWKTPHEGZZNY-DENIHFKCSA-N 1 3 388.600 3.806 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000502838071 846508785 /nfs/dbraw/zinc/50/87/85/846508785.db2.gz CKHWKTPHEGZZNY-DENIHFKCSA-N 1 3 388.600 3.806 20 0 GHADHO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000501026256 846561754 /nfs/dbraw/zinc/56/17/54/846561754.db2.gz VMAWHIBJJGSYHR-UHFFFAOYSA-N 1 3 380.580 3.982 20 0 GHADHO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000501026256 846561761 /nfs/dbraw/zinc/56/17/61/846561761.db2.gz VMAWHIBJJGSYHR-UHFFFAOYSA-N 1 3 380.580 3.982 20 0 GHADHO CCOc1ccc(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501066041 846597421 /nfs/dbraw/zinc/59/74/21/846597421.db2.gz CDDVFKUSHWMGRW-GOSISDBHSA-N 1 3 396.535 3.656 20 0 GHADHO CSc1ccc(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501067660 846599114 /nfs/dbraw/zinc/59/91/14/846599114.db2.gz IKTOCQRXCWBIHA-QGZVFWFLSA-N 1 3 398.576 3.979 20 0 GHADHO C[C@@H]1CCc2ccccc2N1C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085826 846628973 /nfs/dbraw/zinc/62/89/73/846628973.db2.gz IKVFFEDSPRRHGO-LJQANCHMSA-N 1 3 392.547 3.598 20 0 GHADHO CC[NH+](CC)CCOC1CCN(Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414417982 846680966 /nfs/dbraw/zinc/68/09/66/846680966.db2.gz YMNTXMNHZLWYRN-UHFFFAOYSA-N 1 3 388.531 3.643 20 0 GHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@H](C)C1 ZINC000503031029 846732787 /nfs/dbraw/zinc/73/27/87/846732787.db2.gz IBAWYBMDQPJPBL-IAQYHMDHSA-N 1 3 392.712 3.765 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000120049010 846805037 /nfs/dbraw/zinc/80/50/37/846805037.db2.gz ZXAVYTROCXTYSZ-GOSISDBHSA-N 1 3 386.565 3.843 20 0 GHADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000120049010 846805042 /nfs/dbraw/zinc/80/50/42/846805042.db2.gz ZXAVYTROCXTYSZ-GOSISDBHSA-N 1 3 386.565 3.843 20 0 GHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000582295390 846809003 /nfs/dbraw/zinc/80/90/03/846809003.db2.gz GDRSFWQWGZNQSO-FBOFTVOISA-N 1 3 391.515 3.942 20 0 GHADHO C[C@H](NCc1ccc(CN2CCCC2=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272552328 847108645 /nfs/dbraw/zinc/10/86/45/847108645.db2.gz FLSTVNIQQDATOQ-GBXCKJPGSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H](NCc1ccc(CN2CCCC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552328 847108653 /nfs/dbraw/zinc/10/86/53/847108653.db2.gz FLSTVNIQQDATOQ-GBXCKJPGSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272552328 847108659 /nfs/dbraw/zinc/10/86/59/847108659.db2.gz FLSTVNIQQDATOQ-GBXCKJPGSA-N 1 3 391.559 3.809 20 0 GHADHO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272682512 847143804 /nfs/dbraw/zinc/14/38/04/847143804.db2.gz SUBMGSYAMSLVPK-RXVVDRJESA-N 1 3 381.520 3.524 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272682512 847143807 /nfs/dbraw/zinc/14/38/07/847143807.db2.gz SUBMGSYAMSLVPK-RXVVDRJESA-N 1 3 381.520 3.524 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272682512 847143811 /nfs/dbraw/zinc/14/38/11/847143811.db2.gz SUBMGSYAMSLVPK-RXVVDRJESA-N 1 3 381.520 3.524 20 0 GHADHO COc1ccc(C[C@H](C)CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1F ZINC000273766213 847438213 /nfs/dbraw/zinc/43/82/13/847438213.db2.gz QRXFTRCNQZNADH-IBGZPJMESA-N 1 3 391.575 3.503 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)Cc3cc(C)cc(C)c3)CC2)CC1 ZINC000563388606 847558407 /nfs/dbraw/zinc/55/84/07/847558407.db2.gz ZCKIXSQVZAYCHD-HXUWFJFHSA-N 1 3 385.596 3.547 20 0 GHADHO CC[NH+]1CCC(N2CCCN(Cc3cc(C)ccc3OC(F)F)CC2)CC1 ZINC000420984658 847591490 /nfs/dbraw/zinc/59/14/90/847591490.db2.gz UDAHTWHLKHSWOR-UHFFFAOYSA-N 1 3 381.511 3.588 20 0 GHADHO COC[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000422946834 847910334 /nfs/dbraw/zinc/91/03/34/847910334.db2.gz PJRVLABXVUMDCW-MOPGFXCFSA-N 1 3 377.326 3.882 20 0 GHADHO Clc1ccc(CSCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423020199 847939502 /nfs/dbraw/zinc/93/95/02/847939502.db2.gz ZFQVYPAQLNFQCS-RYQLBKOJSA-N 1 3 389.392 3.973 20 0 GHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423067159 847959705 /nfs/dbraw/zinc/95/97/05/847959705.db2.gz YQUQFXFPGKJLFE-GDBMZVCRSA-N 1 3 378.442 3.797 20 0 GHADHO COc1cc2cccnc2c(N(c2ccc3c(n2)CNCC3)[C@H](C)CCC[NH3+])c1 ZINC001167613029 848322039 /nfs/dbraw/zinc/32/20/39/848322039.db2.gz SLQBXBBFBOUABJ-MRXNPFEDSA-N 1 3 391.519 3.550 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613304 848326908 /nfs/dbraw/zinc/32/69/08/848326908.db2.gz XQQBVXNVJXTIGU-GBXCKJPGSA-N 1 3 378.564 3.719 20 0 GHADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604206810 861940058 /nfs/dbraw/zinc/94/00/58/861940058.db2.gz VZBYVDGEOTWTTR-JOCHJYFZSA-N 1 3 386.584 3.729 20 0 GHADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226658 848908130 /nfs/dbraw/zinc/90/81/30/848908130.db2.gz CFTMQDAGKMRWJZ-IEIRFRATSA-N 1 3 398.595 3.555 20 0 GHADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511226658 848908136 /nfs/dbraw/zinc/90/81/36/848908136.db2.gz CFTMQDAGKMRWJZ-IEIRFRATSA-N 1 3 398.595 3.555 20 0 GHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000162587419 849206322 /nfs/dbraw/zinc/20/63/22/849206322.db2.gz ORHUROZTQYJKIG-SFHVURJKSA-N 1 3 381.520 3.605 20 0 GHADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000162846455 849576900 /nfs/dbraw/zinc/57/69/00/849576900.db2.gz LDJIIZZDXOVEBH-BZSNNMDCSA-N 1 3 388.556 3.511 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414853126 849756582 /nfs/dbraw/zinc/75/65/82/849756582.db2.gz RWLAUCLWYKYTIA-CXAGYDPISA-N 1 3 382.346 3.663 20 0 GHADHO C[NH+](C)C1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CCCCCC1 ZINC000514438362 849853179 /nfs/dbraw/zinc/85/31/79/849853179.db2.gz POCXWZSLAUPDMF-GOSISDBHSA-N 1 3 392.613 3.839 20 0 GHADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC000423361910 849885597 /nfs/dbraw/zinc/88/55/97/849885597.db2.gz SQDGGGBPNFFQFI-DGCLKSJQSA-N 1 3 377.838 3.808 20 0 GHADHO C[C@@H](CC(=O)N(C)c1ccccc1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423460377 849934870 /nfs/dbraw/zinc/93/48/70/849934870.db2.gz AVRATZNGYRDMQJ-LQBOVUBWSA-N 1 3 383.511 3.550 20 0 GHADHO COc1ccccc1-c1ccc([C@H](C)[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747370 849946985 /nfs/dbraw/zinc/94/69/85/849946985.db2.gz RTRAPOFBMQNHHS-OALUTQOASA-N 1 3 395.547 3.552 20 0 GHADHO COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747370 849946994 /nfs/dbraw/zinc/94/69/94/849946994.db2.gz RTRAPOFBMQNHHS-OALUTQOASA-N 1 3 395.547 3.552 20 0 GHADHO COC(=O)c1cccc(-c2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)c1 ZINC000424291336 850335757 /nfs/dbraw/zinc/33/57/57/850335757.db2.gz NNERNAWCCITLLS-HNNXBMFYSA-N 1 3 385.533 3.561 20 0 GHADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000424301108 850342894 /nfs/dbraw/zinc/34/28/94/850342894.db2.gz XAFFQIAXPFKYLF-UONOGXRCSA-N 1 3 384.351 3.635 20 0 GHADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000424301516 850343164 /nfs/dbraw/zinc/34/31/64/850343164.db2.gz XMWKLPNMJSUUOF-KBPBESRZSA-N 1 3 384.351 3.635 20 0 GHADHO C[C@@H]1CC2(CN1Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC[NH2+]CC2 ZINC000424372852 850412886 /nfs/dbraw/zinc/41/28/86/850412886.db2.gz FZTFWDYPXYDAFA-APWZRJJASA-N 1 3 378.944 3.862 20 0 GHADHO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(CC[NH3+])CC1 ZINC000569850852 850766607 /nfs/dbraw/zinc/76/66/07/850766607.db2.gz GGKAUJYBWYCEAA-UHFFFAOYSA-N 1 3 377.330 3.504 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C[C@H](C)O1 ZINC000435784675 850871293 /nfs/dbraw/zinc/87/12/93/850871293.db2.gz HDUVSXDFFIGTNN-BGYRXZFFSA-N 1 3 382.552 3.829 20 0 GHADHO OCC1([C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccncc2)CCC1 ZINC000668811915 851050179 /nfs/dbraw/zinc/05/01/79/851050179.db2.gz FNGUUGQAKZIXFG-HSZRJFAPSA-N 1 3 395.547 3.550 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)c1ccco1 ZINC000488460935 851517027 /nfs/dbraw/zinc/51/70/27/851517027.db2.gz NXOPAXZFCYTVPL-YSIASYRMSA-N 1 3 386.540 3.619 20 0 GHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]CC[C@@H]3CCOC3)CC2)c1 ZINC000438068102 852004103 /nfs/dbraw/zinc/00/41/03/852004103.db2.gz XPCDZYVHESHTHC-GOSISDBHSA-N 1 3 399.501 3.624 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc(C(F)(F)F)c(C)c3)CC2)CC1 ZINC000912577378 852368035 /nfs/dbraw/zinc/36/80/35/852368035.db2.gz ITMGNPLQJCEZJO-UHFFFAOYSA-N 1 3 398.473 3.544 20 0 GHADHO CC(C)N1CCN(c2cccc(NC(=O)C3(C[NH+](C)C)CCCCC3)c2)CC1 ZINC000426911799 852526952 /nfs/dbraw/zinc/52/69/52/852526952.db2.gz NKKYSVIGJPBGHH-UHFFFAOYSA-N 1 3 386.584 3.668 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000506311254 852685932 /nfs/dbraw/zinc/68/59/32/852685932.db2.gz VQXIVTFUJNNMMC-NQIIRXRSSA-N 1 3 396.535 3.584 20 0 GHADHO c1coc([C@H](CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)N2CCCC2)c1 ZINC000507513994 852993048 /nfs/dbraw/zinc/99/30/48/852993048.db2.gz SLAWANMELANLSU-MLCQCVOFSA-N 1 3 379.548 3.917 20 0 GHADHO c1coc([C@H](CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)N2CCCC2)c1 ZINC000507513994 852993055 /nfs/dbraw/zinc/99/30/55/852993055.db2.gz SLAWANMELANLSU-MLCQCVOFSA-N 1 3 379.548 3.917 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]2C1 ZINC001167986332 853025011 /nfs/dbraw/zinc/02/50/11/853025011.db2.gz DCPURIDWRYPIPH-DQKSBWHRSA-N 1 3 389.584 3.581 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]2C1 ZINC001167986332 853025022 /nfs/dbraw/zinc/02/50/22/853025022.db2.gz DCPURIDWRYPIPH-DQKSBWHRSA-N 1 3 389.584 3.581 20 0 GHADHO C[NH+]1CCC(CCNCc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000112373863 853048214 /nfs/dbraw/zinc/04/82/14/853048214.db2.gz AOFLNSKKWOYVMK-UHFFFAOYSA-N 1 3 377.330 3.661 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490965913 853375886 /nfs/dbraw/zinc/37/58/86/853375886.db2.gz OAFWYGIRBFGDFW-OFNKIYASSA-N 1 3 379.548 3.937 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490965913 853375895 /nfs/dbraw/zinc/37/58/95/853375895.db2.gz OAFWYGIRBFGDFW-OFNKIYASSA-N 1 3 379.548 3.937 20 0 GHADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc(F)c(Br)cc1F ZINC000623903845 862506494 /nfs/dbraw/zinc/50/64/94/862506494.db2.gz PXPHCPCGQFFNPM-NWDGAFQWSA-N 1 3 379.289 3.735 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)[NH+]2CCCC2)cc1 ZINC000520299786 854060247 /nfs/dbraw/zinc/06/02/47/854060247.db2.gz RPZDLHLDMFGVED-XZOQPEGZSA-N 1 3 394.563 3.734 20 0 GHADHO C[NH+]1CCC(N2CC[C@H](Nc3ncnc4sc(-c5ccccc5)cc43)C2)CC1 ZINC000732920944 862591203 /nfs/dbraw/zinc/59/12/03/862591203.db2.gz OZURUNYHASMDRS-KRWDZBQOSA-N 1 3 393.560 3.939 20 0 GHADHO COc1ccc([C@H]2C[C@@H](N3CCC([NH3+])(c4ccccc4OC)CC3)CCO2)cc1 ZINC001168616719 855057130 /nfs/dbraw/zinc/05/71/30/855057130.db2.gz OCHBSLFCGLVUCL-WMZHIEFXSA-N 1 3 396.531 3.874 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000590612087 855507986 /nfs/dbraw/zinc/50/79/86/855507986.db2.gz YWLSAMYGZBQKKG-UHFFFAOYSA-N 1 3 390.575 3.807 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000180974501 862696195 /nfs/dbraw/zinc/69/61/95/862696195.db2.gz ALVQICNQYBAHNM-OAQYLSRUSA-N 1 3 395.572 3.839 20 0 GHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000180975044 862697191 /nfs/dbraw/zinc/69/71/91/862697191.db2.gz MHANHLWKELERES-JOCHJYFZSA-N 1 3 397.950 3.943 20 0 GHADHO CC[NH+](CC)[C@H](C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccccc1 ZINC000591101383 855775663 /nfs/dbraw/zinc/77/56/63/855775663.db2.gz MZVLDOUPTMGKFQ-UNMCSNQZSA-N 1 3 383.536 3.924 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573079039 855856927 /nfs/dbraw/zinc/85/69/27/855856927.db2.gz PNUPGXDGDKZSQW-FYYLOGMGSA-N 1 3 387.531 3.530 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573079039 855856931 /nfs/dbraw/zinc/85/69/31/855856931.db2.gz PNUPGXDGDKZSQW-FYYLOGMGSA-N 1 3 387.531 3.530 20 0 GHADHO Cc1cc(F)cc(CN2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1 ZINC001143587805 856047868 /nfs/dbraw/zinc/04/78/68/856047868.db2.gz PCRHYYPAVQQZIE-DNVJHFABSA-N 1 3 390.543 3.614 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000591541616 856099074 /nfs/dbraw/zinc/09/90/74/856099074.db2.gz AGUAHSNISDNPEC-FCHUYYIVSA-N 1 3 386.584 3.512 20 0 GHADHO CC(=O)Nc1ccc([C@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000542848498 856125161 /nfs/dbraw/zinc/12/51/61/856125161.db2.gz PDFSIVCYWDMCJJ-SFHVURJKSA-N 1 3 381.520 3.970 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000591580473 856162814 /nfs/dbraw/zinc/16/28/14/856162814.db2.gz BWUZFWNTLRQAOP-IRLDBZIGSA-N 1 3 386.584 3.552 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000591580473 856162823 /nfs/dbraw/zinc/16/28/23/856162823.db2.gz BWUZFWNTLRQAOP-IRLDBZIGSA-N 1 3 386.584 3.552 20 0 GHADHO C[C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000520751417 856339448 /nfs/dbraw/zinc/33/94/48/856339448.db2.gz BBRNQYTXWRPSNT-KZNAEPCWSA-N 1 3 391.987 3.930 20 0 GHADHO COc1ccc(C)cc1NC(=O)[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000656126924 856473306 /nfs/dbraw/zinc/47/33/06/856473306.db2.gz ALZISQJKBKSQHM-ZWCUEREDSA-N 1 3 381.520 3.613 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427708969 856620016 /nfs/dbraw/zinc/62/00/16/856620016.db2.gz DZNMOKIWPOEMFR-XUVXKRRUSA-N 1 3 397.485 3.835 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2cccc(F)c2c1C ZINC000499518564 857128392 /nfs/dbraw/zinc/12/83/92/857128392.db2.gz IAHDELMYQHLLST-INIZCTEOSA-N 1 3 391.556 3.837 20 0 GHADHO CC[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)N1CCc2ccccc2C1 ZINC000063768785 857655405 /nfs/dbraw/zinc/65/54/05/857655405.db2.gz HRDRSNIDFWSELR-XMMPIXPASA-N 1 3 391.559 3.849 20 0 GHADHO CCOc1ccc([C@@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1OCC ZINC000675881493 857659407 /nfs/dbraw/zinc/65/94/07/857659407.db2.gz MEQSXSZIDMYZDO-YLJYHZDGSA-N 1 3 376.541 3.778 20 0 GHADHO CCO[C@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)C12CCCCC2 ZINC000676064122 857726267 /nfs/dbraw/zinc/72/62/67/857726267.db2.gz AZLDMTPRMYXKIH-SFTDATJTSA-N 1 3 375.557 3.630 20 0 GHADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccccc3CN(C)C)cc2)C1 ZINC000486519447 857816014 /nfs/dbraw/zinc/81/60/14/857816014.db2.gz MZNFLHQERDXJAE-GOSISDBHSA-N 1 3 381.520 3.721 20 0 GHADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccccc3CN(C)C)cc2)C1 ZINC000486519447 857816016 /nfs/dbraw/zinc/81/60/16/857816016.db2.gz MZNFLHQERDXJAE-GOSISDBHSA-N 1 3 381.520 3.721 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000065867841 857868164 /nfs/dbraw/zinc/86/81/64/857868164.db2.gz GWJMXAHLAVCHHM-TZIWHRDSSA-N 1 3 389.559 3.666 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000065867841 857868172 /nfs/dbraw/zinc/86/81/72/857868172.db2.gz GWJMXAHLAVCHHM-TZIWHRDSSA-N 1 3 389.559 3.666 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000672967081 857953355 /nfs/dbraw/zinc/95/33/55/857953355.db2.gz SAOCRYGBBJPCKR-QHCPKHFHSA-N 1 3 394.563 3.602 20 0 GHADHO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442869106 858186183 /nfs/dbraw/zinc/18/61/83/858186183.db2.gz IBCCYKXGOOWVIZ-HSZRJFAPSA-N 1 3 399.554 3.734 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1(C)C ZINC000442876143 858191255 /nfs/dbraw/zinc/19/12/55/858191255.db2.gz PIKQUHVNUPHMPV-HKUYNNGSSA-N 1 3 383.502 3.957 20 0 GHADHO CCCc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000594785853 858280604 /nfs/dbraw/zinc/28/06/04/858280604.db2.gz XXUWYGCLDANBMH-QHCPKHFHSA-N 1 3 379.548 3.626 20 0 GHADHO CCCc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000594785853 858280613 /nfs/dbraw/zinc/28/06/13/858280613.db2.gz XXUWYGCLDANBMH-QHCPKHFHSA-N 1 3 379.548 3.626 20 0 GHADHO C[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000443107820 858365193 /nfs/dbraw/zinc/36/51/93/858365193.db2.gz ZMCDHNUUPZRTTC-PGRDOPGGSA-N 1 3 387.568 3.601 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000521991178 858515282 /nfs/dbraw/zinc/51/52/82/858515282.db2.gz RRSLCGGJAPSYQH-IFMALSPDSA-N 1 3 386.584 3.696 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000521991178 858515286 /nfs/dbraw/zinc/51/52/86/858515286.db2.gz RRSLCGGJAPSYQH-IFMALSPDSA-N 1 3 386.584 3.696 20 0 GHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000522078149 858588999 /nfs/dbraw/zinc/58/89/99/858588999.db2.gz NNHNAFOWBBCCHD-PWHSHALESA-N 1 3 398.595 3.543 20 0 GHADHO C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(C)Cc1ccccc1 ZINC000522076286 858596634 /nfs/dbraw/zinc/59/66/34/858596634.db2.gz JNBIUKYGGVVLED-FQEVSTJZSA-N 1 3 394.563 3.602 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H](C)O1 ZINC000183454802 858750136 /nfs/dbraw/zinc/75/01/36/858750136.db2.gz QLQLAOWGOCIYOH-HUUCEWRRSA-N 1 3 392.437 3.746 20 0 GHADHO C[C@@H]1C[C@@H](NCCC(=O)NCc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168019812 858784579 /nfs/dbraw/zinc/78/45/79/858784579.db2.gz KCCFTCJQUGPTTL-JHDGKUDLSA-N 1 3 379.548 3.724 20 0 GHADHO C[C@@H]1C[C@@H](NCCC(=O)NCc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019812 858784587 /nfs/dbraw/zinc/78/45/87/858784587.db2.gz KCCFTCJQUGPTTL-JHDGKUDLSA-N 1 3 379.548 3.724 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cl)cc1-n1cncn1 ZINC000482843551 858912290 /nfs/dbraw/zinc/91/22/90/858912290.db2.gz NTBWMCHDKBSAFW-UWJYYQICSA-N 1 3 395.938 3.921 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cl)cc1-n1cncn1 ZINC000482843551 858912295 /nfs/dbraw/zinc/91/22/95/858912295.db2.gz NTBWMCHDKBSAFW-UWJYYQICSA-N 1 3 395.938 3.921 20 0 GHADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(-c2ccccc2)c1 ZINC000482885437 858941360 /nfs/dbraw/zinc/94/13/60/858941360.db2.gz HDFOIONDTGJENK-IBGZPJMESA-N 1 3 379.548 3.947 20 0 GHADHO CCCN(Cc1ccccc1F)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654460272 859221595 /nfs/dbraw/zinc/22/15/95/859221595.db2.gz OMOHRQREPKOGCY-UHFFFAOYSA-N 1 3 389.559 3.761 20 0 GHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc2ccccc21 ZINC000051759535 859313998 /nfs/dbraw/zinc/31/39/98/859313998.db2.gz OLNVEVRWJZPVAA-SFHVURJKSA-N 1 3 394.563 3.759 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H](C)O1 ZINC000195250461 859367113 /nfs/dbraw/zinc/36/71/13/859367113.db2.gz FPIOHOXRMYEADR-CALCHBBNSA-N 1 3 376.932 3.505 20 0 GHADHO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856561006 881450945 /nfs/dbraw/zinc/45/09/45/881450945.db2.gz LHEPVLGQDSBSCB-HSZRJFAPSA-N 1 3 396.535 3.534 20 0 GHADHO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856561006 881450959 /nfs/dbraw/zinc/45/09/59/881450959.db2.gz LHEPVLGQDSBSCB-HSZRJFAPSA-N 1 3 396.535 3.534 20 0 GHADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000466525423 859850713 /nfs/dbraw/zinc/85/07/13/859850713.db2.gz HZDWBDWWPBKHBC-DENIHFKCSA-N 1 3 398.595 3.746 20 0 GHADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC000922391432 859889904 /nfs/dbraw/zinc/88/99/04/859889904.db2.gz WHYAVQXYYWHMHH-BNDYYXHWSA-N 1 3 389.540 3.519 20 0 GHADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC000922391432 859889911 /nfs/dbraw/zinc/88/99/11/859889911.db2.gz WHYAVQXYYWHMHH-BNDYYXHWSA-N 1 3 389.540 3.519 20 0 GHADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(-c4cccs4)s3)C2)[C@@H]1C(C)C ZINC000922395652 859906466 /nfs/dbraw/zinc/90/64/66/859906466.db2.gz XZVGCDULBPEMIA-ZTRFORPCSA-N 1 3 391.606 3.831 20 0 GHADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(-c4cccs4)s3)C2)[C@@H]1C(C)C ZINC000922395652 859906471 /nfs/dbraw/zinc/90/64/71/859906471.db2.gz XZVGCDULBPEMIA-ZTRFORPCSA-N 1 3 391.606 3.831 20 0 GHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000484390449 859984621 /nfs/dbraw/zinc/98/46/21/859984621.db2.gz ZZGYPNSNRUSLPA-UPVQGACJSA-N 1 3 379.548 3.696 20 0 GHADHO CC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)c1ccc(C)cc1 ZINC000727238391 860007871 /nfs/dbraw/zinc/00/78/71/860007871.db2.gz MZRQUBFMZPVBGZ-QHCPKHFHSA-N 1 3 394.563 3.816 20 0 GHADHO C[C@@H]1CC([NH2+]Cc2ccc3c(c2)N(C)C(=O)CO3)C[C@@H](C)N1Cc1ccccc1 ZINC001168034917 860088343 /nfs/dbraw/zinc/08/83/43/860088343.db2.gz RNXMWJIABSDENF-QZTJIDSGSA-N 1 3 393.531 3.573 20 0 GHADHO CC(C)[NH+]1CCC(N(C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000097099912 860143706 /nfs/dbraw/zinc/14/37/06/860143706.db2.gz CVTGWQYMFLXRTI-HXUWFJFHSA-N 1 3 379.548 3.960 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccccc4C)C3)CC2)CC1 ZINC000654680721 860270089 /nfs/dbraw/zinc/27/00/89/860270089.db2.gz COIMRZOZGIMBTQ-OAQYLSRUSA-N 1 3 383.580 3.507 20 0 GHADHO COC[C@@H](CC1CCOCC1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000657882303 860455722 /nfs/dbraw/zinc/45/57/22/860455722.db2.gz SHKXTWJELMLCNV-OAQYLSRUSA-N 1 3 394.987 3.973 20 0 GHADHO CN(C)C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000673611557 860527326 /nfs/dbraw/zinc/52/73/26/860527326.db2.gz OWIQWQMJMAVDBA-QHCPKHFHSA-N 1 3 385.527 3.693 20 0 GHADHO COCC(C)(C)C[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000494323769 881579672 /nfs/dbraw/zinc/57/96/72/881579672.db2.gz WZSNNLIHFHGFHL-UHFFFAOYSA-N 1 3 381.564 3.771 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607152 881584291 /nfs/dbraw/zinc/58/42/91/881584291.db2.gz WXQHWINWBBJJTL-CTUHWIOQSA-N 1 3 397.563 3.540 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607152 881584306 /nfs/dbraw/zinc/58/43/06/881584306.db2.gz WXQHWINWBBJJTL-CTUHWIOQSA-N 1 3 397.563 3.540 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCNc4ccccc43)cc2)CC1 ZINC000192683081 860906164 /nfs/dbraw/zinc/90/61/64/860906164.db2.gz OPUSXTGCBCRWCX-DEOSSOPVSA-N 1 3 378.564 3.861 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182226294 863156231 /nfs/dbraw/zinc/15/62/31/863156231.db2.gz YMBPVGNTGDTJPY-FGZHOGPDSA-N 1 3 396.531 3.655 20 0 GHADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182226294 863156238 /nfs/dbraw/zinc/15/62/38/863156238.db2.gz YMBPVGNTGDTJPY-FGZHOGPDSA-N 1 3 396.531 3.655 20 0 GHADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000062529405 863538393 /nfs/dbraw/zinc/53/83/93/863538393.db2.gz VFOCQLYCZXMFFB-QFIPXVFZSA-N 1 3 386.584 3.633 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000606640267 863742457 /nfs/dbraw/zinc/74/24/57/863742457.db2.gz PFTFMMSOSBYDSV-FQEVSTJZSA-N 1 3 380.621 3.795 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000606640267 863742461 /nfs/dbraw/zinc/74/24/61/863742461.db2.gz PFTFMMSOSBYDSV-FQEVSTJZSA-N 1 3 380.621 3.795 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000475127670 864267391 /nfs/dbraw/zinc/26/73/91/864267391.db2.gz DHNJGMSBCABKMR-PKTZIBPZSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000475127670 864267404 /nfs/dbraw/zinc/26/74/04/864267404.db2.gz DHNJGMSBCABKMR-PKTZIBPZSA-N 1 3 394.563 3.514 20 0 GHADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000554452054 864341279 /nfs/dbraw/zinc/34/12/79/864341279.db2.gz RCOZOJNYSIAYKB-GMKZXUHWSA-N 1 3 396.575 3.852 20 0 GHADHO CCCN(CCN1CCCCC1)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000554474977 864414116 /nfs/dbraw/zinc/41/41/16/864414116.db2.gz GVIFRLAUBRGKBC-UHFFFAOYSA-N 1 3 390.572 3.665 20 0 GHADHO CCO[C@@H]1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1Oc1ccccc1 ZINC000480327244 864504462 /nfs/dbraw/zinc/50/44/62/864504462.db2.gz LMGVCVKKFSNDFV-VXNXHJTFSA-N 1 3 380.532 3.866 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166241001 864725645 /nfs/dbraw/zinc/72/56/45/864725645.db2.gz BEFGOYFUNMGGTM-NOZRDPDXSA-N 1 3 393.575 3.692 20 0 GHADHO COc1ccc2c(c1)CN(CCCC[N@@H+]1CCc3ccc(OC)cc3C1)CC2 ZINC000555022612 865334316 /nfs/dbraw/zinc/33/43/16/865334316.db2.gz AOCFVRBQQAHUIS-UHFFFAOYSA-N 1 3 380.532 3.900 20 0 GHADHO COc1ccc2c(c1)CN(CCCC[N@H+]1CCc3ccc(OC)cc3C1)CC2 ZINC000555022612 865334331 /nfs/dbraw/zinc/33/43/31/865334331.db2.gz AOCFVRBQQAHUIS-UHFFFAOYSA-N 1 3 380.532 3.900 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000172431450 865579765 /nfs/dbraw/zinc/57/97/65/865579765.db2.gz QONOEDGBGAWKPO-QGZVFWFLSA-N 1 3 379.976 3.961 20 0 GHADHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCc4ccccc4C3)nc2)[C@@H]2CCC[C@H]21 ZINC000514103269 865688231 /nfs/dbraw/zinc/68/82/31/865688231.db2.gz AZLQOQIWLRPZHP-RJGXRXQPSA-N 1 3 376.548 3.607 20 0 GHADHO C[N@H+]1CC[C@H](NCc2ccc(N3CCc4ccccc4C3)nc2)[C@@H]2CCC[C@H]21 ZINC000514103269 865688238 /nfs/dbraw/zinc/68/82/38/865688238.db2.gz AZLQOQIWLRPZHP-RJGXRXQPSA-N 1 3 376.548 3.607 20 0 GHADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000555230222 865749777 /nfs/dbraw/zinc/74/97/77/865749777.db2.gz XKDREZJRASXBQF-XLIONFOSSA-N 1 3 377.960 3.714 20 0 GHADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000555230222 865749780 /nfs/dbraw/zinc/74/97/80/865749780.db2.gz XKDREZJRASXBQF-XLIONFOSSA-N 1 3 377.960 3.714 20 0 GHADHO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1Cl ZINC000173857273 865849497 /nfs/dbraw/zinc/84/94/97/865849497.db2.gz GATCABJLNKWJJB-CQSZACIVSA-N 1 3 379.335 3.991 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)cc1CN1CCCCC1 ZINC000183108506 866216727 /nfs/dbraw/zinc/21/67/27/866216727.db2.gz IPMMWCVJYXNUID-NQIIRXRSSA-N 1 3 376.541 3.527 20 0 GHADHO Cc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000189681512 881974692 /nfs/dbraw/zinc/97/46/92/881974692.db2.gz ZREJFSGAJKCIMA-IFMALSPDSA-N 1 3 396.535 3.502 20 0 GHADHO CSc1cc(Cl)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667378630 866503026 /nfs/dbraw/zinc/50/30/26/866503026.db2.gz BLUUIXZPFXYOTE-UHFFFAOYSA-N 1 3 396.988 3.742 20 0 GHADHO CC[C@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000153693994 867029892 /nfs/dbraw/zinc/02/98/92/867029892.db2.gz UJDULWDORRSABP-ZCYQVOJMSA-N 1 3 393.575 3.914 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC[N@@H+]1C ZINC000444715547 867127044 /nfs/dbraw/zinc/12/70/44/867127044.db2.gz DGGGVJRBFXJYSG-UNMCSNQZSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC[N@H+]1C ZINC000444715547 867127064 /nfs/dbraw/zinc/12/70/64/867127064.db2.gz DGGGVJRBFXJYSG-UNMCSNQZSA-N 1 3 398.595 3.699 20 0 GHADHO CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)N(CC)CC ZINC000456782157 867134259 /nfs/dbraw/zinc/13/42/59/867134259.db2.gz AGYYSKPCKKWQAT-SFHVURJKSA-N 1 3 381.948 3.872 20 0 GHADHO CN1CC[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1c1ccccc1 ZINC000534612070 867138791 /nfs/dbraw/zinc/13/87/91/867138791.db2.gz SBYBGFWYAYOZNY-RJGXRXQPSA-N 1 3 392.547 3.568 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000154302361 867345224 /nfs/dbraw/zinc/34/52/24/867345224.db2.gz ZWDVYBZNBXUAHQ-QAPCUYQASA-N 1 3 380.374 3.615 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620772831 867461928 /nfs/dbraw/zinc/46/19/28/867461928.db2.gz PGEWNRPTZSTHOQ-FYYLOGMGSA-N 1 3 394.563 3.501 20 0 GHADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620772831 867461936 /nfs/dbraw/zinc/46/19/36/867461936.db2.gz PGEWNRPTZSTHOQ-FYYLOGMGSA-N 1 3 394.563 3.501 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](C(C)(C)C)c4ccccc43)CC2)CC1 ZINC000445007768 867637663 /nfs/dbraw/zinc/63/76/63/867637663.db2.gz ANYOEFZNLRYXBC-NRFANRHFSA-N 1 3 398.595 3.905 20 0 GHADHO CC(C)N1CCN(CCC[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)CC1 ZINC000553991764 868569767 /nfs/dbraw/zinc/56/97/67/868569767.db2.gz DZBGKNCAZBKISU-UHFFFAOYSA-N 1 3 386.559 3.903 20 0 GHADHO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000524422972 869049756 /nfs/dbraw/zinc/04/97/56/869049756.db2.gz QBKIHWQXNBPUTC-HXUWFJFHSA-N 1 3 383.511 3.781 20 0 GHADHO COCCN(C)c1ccc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000190764960 882263610 /nfs/dbraw/zinc/26/36/10/882263610.db2.gz MENKOTFKSGPEIP-FQEVSTJZSA-N 1 3 396.579 3.686 20 0 GHADHO COCCN(C)c1ccc(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000190764960 882263617 /nfs/dbraw/zinc/26/36/17/882263617.db2.gz MENKOTFKSGPEIP-FQEVSTJZSA-N 1 3 396.579 3.686 20 0 GHADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000446265454 869649320 /nfs/dbraw/zinc/64/93/20/869649320.db2.gz FFCYOAQSDUJSSZ-MIZPHKNDSA-N 1 3 385.552 3.534 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000524923853 869793281 /nfs/dbraw/zinc/79/32/81/869793281.db2.gz CXRHJSSZHAJCIR-CTNGQTDRSA-N 1 3 388.600 3.659 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000525107182 869987916 /nfs/dbraw/zinc/98/79/16/869987916.db2.gz OUQHFKOCQPRHSO-VIZSFHNOSA-N 1 3 385.596 3.518 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000525107182 869987929 /nfs/dbraw/zinc/98/79/29/869987929.db2.gz OUQHFKOCQPRHSO-VIZSFHNOSA-N 1 3 385.596 3.518 20 0 GHADHO CCN1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000525245659 870212474 /nfs/dbraw/zinc/21/24/74/870212474.db2.gz ASDYVUYCWOFJIM-NSHDSACASA-N 1 3 377.838 3.760 20 0 GHADHO C[C@H](C1CC1)N(C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000248388961 870357486 /nfs/dbraw/zinc/35/74/86/870357486.db2.gz AFFBNNFPDDCNGC-LFALDJFMSA-N 1 3 383.580 3.522 20 0 GHADHO Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)CC2)nc1 ZINC000248406034 870379368 /nfs/dbraw/zinc/37/93/68/870379368.db2.gz BOAPDGVLFDVEQB-GMKZXUHWSA-N 1 3 390.575 3.859 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@@H](C)C1 ZINC000248428091 870408007 /nfs/dbraw/zinc/40/80/07/870408007.db2.gz QPUGPRFJFBCRBU-WMZHIEFXSA-N 1 3 397.563 3.984 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000540170327 870655860 /nfs/dbraw/zinc/65/58/60/870655860.db2.gz PBKZMWXIXPJPJU-DEOSSOPVSA-N 1 3 391.559 3.623 20 0 GHADHO Cc1nc2ccccc2n1CCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000463116570 870953720 /nfs/dbraw/zinc/95/37/20/870953720.db2.gz CVVBLFCPODRZQZ-UEVCKROQSA-N 1 3 384.568 3.699 20 0 GHADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000540315585 870965876 /nfs/dbraw/zinc/96/58/76/870965876.db2.gz GZJKSZJRKMDZRN-VAMGGRTRSA-N 1 3 393.369 3.868 20 0 GHADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC001193248530 870973418 /nfs/dbraw/zinc/97/34/18/870973418.db2.gz FFRXDZLSECXCBB-AKHDSKFASA-N 1 3 379.589 3.732 20 0 GHADHO C[C@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000163576490 870998933 /nfs/dbraw/zinc/99/89/33/870998933.db2.gz OZKIIQQMYXOAOP-GUDVDZBRSA-N 1 3 377.598 3.663 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000897351853 871013676 /nfs/dbraw/zinc/01/36/76/871013676.db2.gz BAIGAFKDOFAJQT-KPLVRAHFSA-N 1 3 387.568 3.504 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000897351853 871013695 /nfs/dbraw/zinc/01/36/95/871013695.db2.gz BAIGAFKDOFAJQT-KPLVRAHFSA-N 1 3 387.568 3.504 20 0 GHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131437 871221730 /nfs/dbraw/zinc/22/17/30/871221730.db2.gz URGAEQLQMJMKRA-XLSPSMHOSA-N 1 3 399.526 3.580 20 0 GHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131437 871221747 /nfs/dbraw/zinc/22/17/47/871221747.db2.gz URGAEQLQMJMKRA-XLSPSMHOSA-N 1 3 399.526 3.580 20 0 GHADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000539073344 871261936 /nfs/dbraw/zinc/26/19/36/871261936.db2.gz QUVLWFMCSMQYKI-BZSNNMDCSA-N 1 3 395.975 3.845 20 0 GHADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540506305 871439581 /nfs/dbraw/zinc/43/95/81/871439581.db2.gz FUAWHVBOLJAFOR-OAQYLSRUSA-N 1 3 382.552 3.547 20 0 GHADHO Cc1cc([C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)C2CC2)ccc1F ZINC000539201913 871491829 /nfs/dbraw/zinc/49/18/29/871491829.db2.gz BWCPRMOIHXVLKV-JOCHJYFZSA-N 1 3 383.511 3.666 20 0 GHADHO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)CCC2 ZINC000447543294 871814144 /nfs/dbraw/zinc/81/41/44/871814144.db2.gz RLXPCSBZVGMNPV-JFIYKMOQSA-N 1 3 392.540 3.621 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462191681 871822593 /nfs/dbraw/zinc/82/25/93/871822593.db2.gz WCIBSWRKMOCXFO-RDPSFJRHSA-N 1 3 391.559 3.535 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCCC2(CC[NH+](C)CC2)C1 ZINC001169781729 871873608 /nfs/dbraw/zinc/87/36/08/871873608.db2.gz URYSQHOCKVOYIU-VQTJNVASSA-N 1 3 397.607 3.939 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)ccc1OC ZINC000182340371 872229759 /nfs/dbraw/zinc/22/97/59/872229759.db2.gz VZTLIUHDHNIFNQ-GOSISDBHSA-N 1 3 389.584 3.835 20 0 GHADHO C[N@@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000552243542 872298121 /nfs/dbraw/zinc/29/81/21/872298121.db2.gz BGBBQEGMFCSPKM-SNPRPXQTSA-N 1 3 376.854 3.628 20 0 GHADHO C[N@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000552243542 872298143 /nfs/dbraw/zinc/29/81/43/872298143.db2.gz BGBBQEGMFCSPKM-SNPRPXQTSA-N 1 3 376.854 3.628 20 0 GHADHO CN1CC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000552275971 872372289 /nfs/dbraw/zinc/37/22/89/872372289.db2.gz GOQUELIGGUXKNU-VHDGCEQUSA-N 1 3 377.838 3.595 20 0 GHADHO C[N@@H+]1CC[C@H](NCCOc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000552275971 872372311 /nfs/dbraw/zinc/37/23/11/872372311.db2.gz GOQUELIGGUXKNU-VHDGCEQUSA-N 1 3 377.838 3.595 20 0 GHADHO C[N@H+]1CC[C@H](NCCOc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000552275971 872372334 /nfs/dbraw/zinc/37/23/34/872372334.db2.gz GOQUELIGGUXKNU-VHDGCEQUSA-N 1 3 377.838 3.595 20 0 GHADHO N[C@H](CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000448244537 873115067 /nfs/dbraw/zinc/11/50/67/873115067.db2.gz VJOSQMSCLULMFJ-OAQYLSRUSA-N 1 3 394.519 3.530 20 0 GHADHO CC(C)C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000460482602 882701717 /nfs/dbraw/zinc/70/17/17/882701717.db2.gz GUMLFKARJBMOPH-QFIPXVFZSA-N 1 3 385.596 3.883 20 0 GHADHO Cc1cccc([C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(C)C)c1 ZINC000527724714 873499501 /nfs/dbraw/zinc/49/95/01/873499501.db2.gz JLRNIDJHIAGONB-QFIPXVFZSA-N 1 3 386.584 3.550 20 0 GHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541663702 874043848 /nfs/dbraw/zinc/04/38/48/874043848.db2.gz WVIAPZQQEQCGBL-QGZVFWFLSA-N 1 3 399.501 3.996 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000541916090 874559438 /nfs/dbraw/zinc/55/94/38/874559438.db2.gz ADTOGSQYLNNRRP-GOSISDBHSA-N 1 3 389.531 3.727 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000449197736 874597148 /nfs/dbraw/zinc/59/71/48/874597148.db2.gz XJEUVAKJFBLGRP-NQIIRXRSSA-N 1 3 398.982 3.999 20 0 GHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2cccc(N3CCC3=O)c2)CC1 ZINC000449302729 874691297 /nfs/dbraw/zinc/69/12/97/874691297.db2.gz KOSLQUDLKOQMQF-IBGZPJMESA-N 1 3 377.532 3.609 20 0 GHADHO CN(CCN1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000541982815 874700694 /nfs/dbraw/zinc/70/06/94/874700694.db2.gz BLEMBVPQDLMAEM-QHCPKHFHSA-N 1 3 377.576 3.541 20 0 GHADHO CCCN1CCN(c2ccccc2CNCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001199329047 874928643 /nfs/dbraw/zinc/92/86/43/874928643.db2.gz MAIJKMCNUGQZBC-VXKWHMMOSA-N 1 3 386.628 3.676 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)CC1 ZINC000449545712 875009222 /nfs/dbraw/zinc/00/92/22/875009222.db2.gz ZHVYKPMIAMTVKA-UPVQGACJSA-N 1 3 394.563 3.624 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCCCCCC1 ZINC000771465981 875298141 /nfs/dbraw/zinc/29/81/41/875298141.db2.gz XLAZASREBQBALP-UHFFFAOYSA-N 1 3 386.584 3.849 20 0 GHADHO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000449771609 875370876 /nfs/dbraw/zinc/37/08/76/875370876.db2.gz KDGLRLJMQHYJSG-BUPNWXMQSA-N 1 3 394.563 3.531 20 0 GHADHO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000491558377 875801268 /nfs/dbraw/zinc/80/12/68/875801268.db2.gz FWYIYTPSTRJLBI-SFHVURJKSA-N 1 3 378.520 3.835 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001201954589 875952196 /nfs/dbraw/zinc/95/21/96/875952196.db2.gz RKCHDTMVQQRLFV-LJQANCHMSA-N 1 3 382.401 3.701 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001201954589 875952200 /nfs/dbraw/zinc/95/22/00/875952200.db2.gz RKCHDTMVQQRLFV-LJQANCHMSA-N 1 3 382.401 3.701 20 0 GHADHO CC(C)(C)c1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420559 876467296 /nfs/dbraw/zinc/46/72/96/876467296.db2.gz YVDODPBQWURYKU-JOCHJYFZSA-N 1 3 393.575 3.971 20 0 GHADHO CC(C)(C)c1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420559 876467302 /nfs/dbraw/zinc/46/73/02/876467302.db2.gz YVDODPBQWURYKU-JOCHJYFZSA-N 1 3 393.575 3.971 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]C[C@H]3CCN(C4CC4)C3)cccc2C1 ZINC000850029106 876615301 /nfs/dbraw/zinc/61/53/01/876615301.db2.gz GEJAVRYSAHHMAM-QGZVFWFLSA-N 1 3 385.552 3.554 20 0 GHADHO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2C1 ZINC000850029415 876615514 /nfs/dbraw/zinc/61/55/14/876615514.db2.gz IIOWCEHASWPRDT-GOSISDBHSA-N 1 3 385.552 3.554 20 0 GHADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786791472 876941816 /nfs/dbraw/zinc/94/18/16/876941816.db2.gz YOLWRWMITHVLHT-SFHVURJKSA-N 1 3 380.536 3.909 20 0 GHADHO CC(C)[NH+]1CCN(CCCN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000451022959 877203943 /nfs/dbraw/zinc/20/39/43/877203943.db2.gz SYDSHUCYMKTCOZ-HXUWFJFHSA-N 1 3 389.975 3.769 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000615775667 878109441 /nfs/dbraw/zinc/10/94/41/878109441.db2.gz JPMMPVFTWZGFSG-HKUYNNGSSA-N 1 3 380.602 3.552 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C[C@H](C)O1 ZINC000530940115 878776931 /nfs/dbraw/zinc/77/69/31/878776931.db2.gz STIFHSYGFILVDO-CALCHBBNSA-N 1 3 382.495 3.999 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000246144319 879049353 /nfs/dbraw/zinc/04/93/53/879049353.db2.gz JRHKPUNZTKWSNP-GBESFXJTSA-N 1 3 392.613 3.645 20 0 GHADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000246144319 879049366 /nfs/dbraw/zinc/04/93/66/879049366.db2.gz JRHKPUNZTKWSNP-GBESFXJTSA-N 1 3 392.613 3.645 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nccc4ccc(C)cc43)CC2)CC1 ZINC000616817522 879126143 /nfs/dbraw/zinc/12/61/43/879126143.db2.gz HYJLORGIKATJPX-UHFFFAOYSA-N 1 3 380.536 3.678 20 0 GHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000246584695 879702185 /nfs/dbraw/zinc/70/21/85/879702185.db2.gz NTHBXAREDQFXJA-OXJNMPFZSA-N 1 3 385.939 3.888 20 0 GHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000246584695 879702207 /nfs/dbraw/zinc/70/22/07/879702207.db2.gz NTHBXAREDQFXJA-OXJNMPFZSA-N 1 3 385.939 3.888 20 0 GHADHO Cc1nccn1-c1ccc([C@H](C)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246591793 879707771 /nfs/dbraw/zinc/70/77/71/879707771.db2.gz ZKSOOGGARFKFBE-PDIWNELESA-N 1 3 382.552 3.599 20 0 GHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246591793 879707776 /nfs/dbraw/zinc/70/77/76/879707776.db2.gz ZKSOOGGARFKFBE-PDIWNELESA-N 1 3 382.552 3.599 20 0 GHADHO C[C@H]1[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000494068281 879890667 /nfs/dbraw/zinc/89/06/67/879890667.db2.gz GEQSHQDBQDQTCF-GBXCKJPGSA-N 1 3 391.559 3.678 20 0 GHADHO Cc1nc2ccc(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)cc2s1 ZINC000494194710 880008421 /nfs/dbraw/zinc/00/84/21/880008421.db2.gz JKWBAEZAPBGFNX-FQEVSTJZSA-N 1 3 381.545 3.851 20 0 GHADHO Cc1nc2ccc(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)cc2s1 ZINC000494194710 880008434 /nfs/dbraw/zinc/00/84/34/880008434.db2.gz JKWBAEZAPBGFNX-FQEVSTJZSA-N 1 3 381.545 3.851 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccccc4C(C)(C)C3)CC2)CC1 ZINC000617517620 880048161 /nfs/dbraw/zinc/04/81/61/880048161.db2.gz RMYPOJHXEGHZJH-UHFFFAOYSA-N 1 3 397.607 3.545 20 0 GHADHO CC[C@H](CN[C@@H](C)CC(=O)Nc1cccc(Br)c1)[NH+]1CCCC1 ZINC000531684893 880317731 /nfs/dbraw/zinc/31/77/31/880317731.db2.gz FJBYPTYENXBIQR-WMLDXEAASA-N 1 3 382.346 3.630 20 0 GHADHO COCCC[NH+]1CCC(N[C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453083390 880439209 /nfs/dbraw/zinc/43/92/09/880439209.db2.gz CVNKSYBTJSRBAJ-RTWAWAEBSA-N 1 3 380.960 3.521 20 0 GHADHO c1cnn(-c2ncccc2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453083206 880439880 /nfs/dbraw/zinc/43/98/80/880439880.db2.gz MYXUYDPNUUGZPH-VABKMULXSA-N 1 3 387.531 3.800 20 0 GHADHO CNC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000453096976 880462768 /nfs/dbraw/zinc/46/27/68/880462768.db2.gz VYPXQUKAKQXCNY-YTFSRNRJSA-N 1 3 377.532 3.579 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)[C@H](C)C1 ZINC000453131557 880524057 /nfs/dbraw/zinc/52/40/57/880524057.db2.gz VLJCJDPLLMLRAO-SBHAEUEKSA-N 1 3 384.568 3.875 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)[C@H](C)C1 ZINC000453131554 880524477 /nfs/dbraw/zinc/52/44/77/880524477.db2.gz VLJCJDPLLMLRAO-DYXWJJEUSA-N 1 3 384.568 3.875 20 0 GHADHO CCCOc1ccc(Br)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000531863920 880636708 /nfs/dbraw/zinc/63/67/08/880636708.db2.gz VUMUEDWIXUZSJE-UHFFFAOYSA-N 1 3 399.373 3.563 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975750 880853197 /nfs/dbraw/zinc/85/31/97/880853197.db2.gz ZBTDYBQNBPPMQS-GCJKJVERSA-N 1 3 397.950 3.814 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975750 880853210 /nfs/dbraw/zinc/85/32/10/880853210.db2.gz ZBTDYBQNBPPMQS-GCJKJVERSA-N 1 3 397.950 3.814 20 0 GHADHO CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455884271 881214818 /nfs/dbraw/zinc/21/48/18/881214818.db2.gz VPANWVDSQLPWRI-QFIPXVFZSA-N 1 3 380.536 3.831 20 0 GHADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000565421863 883260996 /nfs/dbraw/zinc/26/09/96/883260996.db2.gz JVWWOGYZWSPBHT-WMQCIHAUSA-N 1 3 382.552 3.873 20 0 GHADHO Clc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)cc1 ZINC001211910557 883341018 /nfs/dbraw/zinc/34/10/18/883341018.db2.gz GCRAMBXYHLXZKL-SFHVURJKSA-N 1 3 380.879 3.579 20 0 GHADHO Clc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)cc1 ZINC001211910557 883341031 /nfs/dbraw/zinc/34/10/31/883341031.db2.gz GCRAMBXYHLXZKL-SFHVURJKSA-N 1 3 380.879 3.579 20 0 GHADHO CN(C)C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000476906562 883358529 /nfs/dbraw/zinc/35/85/29/883358529.db2.gz NTFLSGRXIAVGEW-JOCHJYFZSA-N 1 3 398.526 3.524 20 0 GHADHO C[Si](C)(CCN1CCC[C@@H]1c1cc[nH]n1)CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000859282456 883716382 /nfs/dbraw/zinc/71/63/82/883716382.db2.gz IADJCWBJHQKIID-WOJBJXKFSA-N 1 3 386.620 3.815 20 0 GHADHO C[Si](C)(CCN1CCC[C@@H]1c1cc[nH]n1)CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000859282456 883716392 /nfs/dbraw/zinc/71/63/92/883716392.db2.gz IADJCWBJHQKIID-WOJBJXKFSA-N 1 3 386.620 3.815 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)ccc21 ZINC000187264031 883773880 /nfs/dbraw/zinc/77/38/80/883773880.db2.gz XMIQXUBFQDYFAN-PGRDOPGGSA-N 1 3 383.561 3.830 20 0 GHADHO CN1C(=O)CCc2cc(CNC[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)ccc21 ZINC000187264031 883773893 /nfs/dbraw/zinc/77/38/93/883773893.db2.gz XMIQXUBFQDYFAN-PGRDOPGGSA-N 1 3 383.561 3.830 20 0 GHADHO COC[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CCOCC1 ZINC000187983570 883824678 /nfs/dbraw/zinc/82/46/78/883824678.db2.gz OSTRTYCFCDLCJV-OAQYLSRUSA-N 1 3 380.960 3.583 20 0 GHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000508880082 884083723 /nfs/dbraw/zinc/08/37/23/884083723.db2.gz KSTVIASZCKMNHG-UGKGYDQZSA-N 1 3 388.600 3.831 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000508880082 884083737 /nfs/dbraw/zinc/08/37/37/884083737.db2.gz KSTVIASZCKMNHG-UGKGYDQZSA-N 1 3 388.600 3.831 20 0 GHADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233125 884178986 /nfs/dbraw/zinc/17/89/86/884178986.db2.gz MRZUESYAXJMUGK-ZHHKINOHSA-N 1 3 386.580 3.564 20 0 GHADHO CC[C@@H]1CC([NH+]2CCC3(CN(C)C3)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496359 884284978 /nfs/dbraw/zinc/28/49/78/884284978.db2.gz IJBXASUSHUBPMV-QZTJIDSGSA-N 1 3 379.589 3.971 20 0 GHADHO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000495109441 884560808 /nfs/dbraw/zinc/56/08/08/884560808.db2.gz PKYZANNAONYJJI-CNNODRBYSA-N 1 3 396.531 3.627 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000460346398 884924729 /nfs/dbraw/zinc/92/47/29/884924729.db2.gz GOZXHMWNZODRTE-CYGODWOOSA-N 1 3 399.966 3.702 20 0 GHADHO CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)Cc1ccccc1 ZINC000455875707 885129136 /nfs/dbraw/zinc/12/91/36/885129136.db2.gz MRTLSMQDWXOJOB-IFMALSPDSA-N 1 3 380.536 3.530 20 0 GHADHO CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)Cc1ccccc1 ZINC000455875710 885129265 /nfs/dbraw/zinc/12/92/65/885129265.db2.gz MRTLSMQDWXOJOB-RBBKRZOGSA-N 1 3 380.536 3.530 20 0 GHADHO Cc1ccsc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000130904854 885324053 /nfs/dbraw/zinc/32/40/53/885324053.db2.gz REIDCYOGCSRZNL-UHFFFAOYSA-N 1 3 385.577 3.517 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3c(Cl)cnnc3Cl)c3ccccc23)CC1 ZINC001170522470 885409206 /nfs/dbraw/zinc/40/92/06/885409206.db2.gz LICKCESEXFZQKS-UHFFFAOYSA-N 1 3 390.318 3.693 20 0 GHADHO C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498721410 885482101 /nfs/dbraw/zinc/48/21/01/885482101.db2.gz LFJHWXFIJSTIED-RBBKRZOGSA-N 1 3 398.595 3.557 20 0 GHADHO C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498721410 885482103 /nfs/dbraw/zinc/48/21/03/885482103.db2.gz LFJHWXFIJSTIED-RBBKRZOGSA-N 1 3 398.595 3.557 20 0 GHADHO CC(C)(C)Oc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001170526393 885493073 /nfs/dbraw/zinc/49/30/73/885493073.db2.gz ZAWBPTBRDXOGEG-UHFFFAOYSA-N 1 3 393.535 3.563 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000532480073 885792223 /nfs/dbraw/zinc/79/22/23/885792223.db2.gz HBEGJNUDLNLPJK-CVEARBPZSA-N 1 3 381.948 3.776 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000532480073 885792227 /nfs/dbraw/zinc/79/22/27/885792227.db2.gz HBEGJNUDLNLPJK-CVEARBPZSA-N 1 3 381.948 3.776 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000532480073 885792244 /nfs/dbraw/zinc/79/22/44/885792244.db2.gz HBEGJNUDLNLPJK-CVEARBPZSA-N 1 3 381.948 3.776 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000108706251 885827305 /nfs/dbraw/zinc/82/73/05/885827305.db2.gz NBFUQXFKODWLRC-ZEQRLZLVSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000108706251 885827317 /nfs/dbraw/zinc/82/73/17/885827317.db2.gz NBFUQXFKODWLRC-ZEQRLZLVSA-N 1 3 391.559 3.852 20 0 GHADHO CN(Cc1ccco1)Cc1cncc2c1CCN(C1CCC([NH+](C)C)CC1)C2 ZINC001168322629 886468080 /nfs/dbraw/zinc/46/80/80/886468080.db2.gz UFISAAZFFURBIE-UHFFFAOYSA-N 1 3 382.552 3.538 20 0 GHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001184206214 913071885 /nfs/dbraw/zinc/07/18/85/913071885.db2.gz IPKIWDWDLKDIAT-HNBVOPMISA-N 1 3 379.589 3.922 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCCO2 ZINC000132702694 887690723 /nfs/dbraw/zinc/69/07/23/887690723.db2.gz ZSKHLUBUVWHGKE-QHCPKHFHSA-N 1 3 380.532 3.955 20 0 GHADHO Cc1c(Cl)cccc1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000865604107 888471483 /nfs/dbraw/zinc/47/14/83/888471483.db2.gz RPJQNOLDGKZYAA-UHFFFAOYSA-N 1 3 385.939 3.636 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(Cl)c3Cl)CC2)CC1 ZINC000195341367 888681329 /nfs/dbraw/zinc/68/13/29/888681329.db2.gz FTDLHHSTNGKCTR-UHFFFAOYSA-N 1 3 385.339 3.674 20 0 GHADHO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245663245 889239526 /nfs/dbraw/zinc/23/95/26/889239526.db2.gz GFEJMHZZFPTXJY-SRYPRDQNSA-N 1 3 396.531 3.522 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CCCSCc3ccccc3)CC2)CC1 ZINC000542596656 889258759 /nfs/dbraw/zinc/25/87/59/889258759.db2.gz VFYNKJRSEXZCOX-UHFFFAOYSA-N 1 3 375.626 3.659 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000245702219 889297289 /nfs/dbraw/zinc/29/72/89/889297289.db2.gz MANBPXSYKXMNIT-NUNAXRQHSA-N 1 3 387.531 3.861 20 0 GHADHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000245703189 889309859 /nfs/dbraw/zinc/30/98/59/889309859.db2.gz MANBPXSYKXMNIT-WBDAEOGXSA-N 1 3 387.531 3.861 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000125101789 889874355 /nfs/dbraw/zinc/87/43/55/889874355.db2.gz JJVUEFDTZURSDG-HXUWFJFHSA-N 1 3 394.563 3.554 20 0 GHADHO C[C@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(-n2cnnn2)cc1 ZINC000125115236 889879251 /nfs/dbraw/zinc/87/92/51/889879251.db2.gz MKEFOWHFZCDMHJ-IBGZPJMESA-N 1 3 390.535 3.889 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000125853197 890208212 /nfs/dbraw/zinc/20/82/12/890208212.db2.gz HVFSEAQHXZHUEN-HSZRJFAPSA-N 1 3 394.563 3.562 20 0 GHADHO CC(C)n1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC2)cn1 ZINC001137076328 891959556 /nfs/dbraw/zinc/95/95/56/891959556.db2.gz AYYXWNPCOWTNMP-IBGZPJMESA-N 1 3 388.581 3.781 20 0 GHADHO CC(C)n1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)cn1 ZINC001137076328 891959574 /nfs/dbraw/zinc/95/95/74/891959574.db2.gz AYYXWNPCOWTNMP-IBGZPJMESA-N 1 3 388.581 3.781 20 0 GHADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCc2sccc2C1 ZINC000508708980 892802912 /nfs/dbraw/zinc/80/29/12/892802912.db2.gz FNOOQEJRYUFPGF-DYXWJJEUSA-N 1 3 383.605 3.995 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000422002439 893189542 /nfs/dbraw/zinc/18/95/42/893189542.db2.gz AWUBBLLOCJMYER-UHFFFAOYSA-N 1 3 384.351 3.626 20 0 GHADHO CCN1CCC([N@H+]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000422002439 893189546 /nfs/dbraw/zinc/18/95/46/893189546.db2.gz AWUBBLLOCJMYER-UHFFFAOYSA-N 1 3 384.351 3.626 20 0 GHADHO COc1c(Br)cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000666852221 893362656 /nfs/dbraw/zinc/36/26/56/893362656.db2.gz RJNORRAJPNRABX-GHMZBOCLSA-N 1 3 392.135 3.580 20 0 GHADHO C[C@H]1CN(c2ccccc2CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000459393139 893449373 /nfs/dbraw/zinc/44/93/73/893449373.db2.gz VKOYCIYRWVZIFV-PMACEKPBSA-N 1 3 399.604 3.975 20 0 GHADHO C[C@H]1CN(c2ccccc2CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1 ZINC000459393139 893449379 /nfs/dbraw/zinc/44/93/79/893449379.db2.gz VKOYCIYRWVZIFV-PMACEKPBSA-N 1 3 399.604 3.975 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@H]1N1CCN(C)CC1 ZINC000536666363 893480995 /nfs/dbraw/zinc/48/09/95/893480995.db2.gz IVMFMVTWJNZZAP-OXQOHEQNSA-N 1 3 389.490 3.683 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@H]1N1CCN(C)CC1 ZINC000536666363 893481008 /nfs/dbraw/zinc/48/10/08/893481008.db2.gz IVMFMVTWJNZZAP-OXQOHEQNSA-N 1 3 389.490 3.683 20 0 GHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000536695449 893558244 /nfs/dbraw/zinc/55/82/44/893558244.db2.gz BNTFJQMAELKXQQ-LJQANCHMSA-N 1 3 376.932 3.663 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3ccccc3OC)CC2)CC1 ZINC000563372934 893673750 /nfs/dbraw/zinc/67/37/50/893673750.db2.gz CDLTUJPMLBXPPN-JOCHJYFZSA-N 1 3 399.579 3.555 20 0 GHADHO CC(C)Oc1ccc2ccccc2c1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000877747380 893787770 /nfs/dbraw/zinc/78/77/70/893787770.db2.gz JEAJXHFJUOKRSQ-UHFFFAOYSA-N 1 3 381.564 3.839 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@H]4CC5(CO4)CCOCC5)CC[C@H]32)cc1 ZINC000878198120 894086474 /nfs/dbraw/zinc/08/64/74/894086474.db2.gz SPQUDXZTGBZPQO-DNVJHFABSA-N 1 3 384.564 3.559 20 0 GHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@H]4CC5(CO4)CCOCC5)CC[C@H]32)cc1 ZINC000878198120 894086481 /nfs/dbraw/zinc/08/64/81/894086481.db2.gz SPQUDXZTGBZPQO-DNVJHFABSA-N 1 3 384.564 3.559 20 0 GHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999104 894205999 /nfs/dbraw/zinc/20/59/99/894205999.db2.gz YEYCZHHMSBIRNW-GGAORHGYSA-N 1 3 395.522 3.764 20 0 GHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999104 894206011 /nfs/dbraw/zinc/20/60/11/894206011.db2.gz YEYCZHHMSBIRNW-GGAORHGYSA-N 1 3 395.522 3.764 20 0 GHADHO CN(C)[C@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccsc1 ZINC000537166593 894476817 /nfs/dbraw/zinc/47/68/17/894476817.db2.gz RFCAEZYERMVTLA-VQTJNVASSA-N 1 3 385.577 3.929 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCC[NH2+]CC1 ZINC000666857991 894542025 /nfs/dbraw/zinc/54/20/25/894542025.db2.gz SGHKWIXDQQKJRK-NEPJUHHUSA-N 1 3 377.838 3.808 20 0 GHADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(Br)c1 ZINC000537304503 894739159 /nfs/dbraw/zinc/73/91/59/894739159.db2.gz QBMWYXBDAINFCS-OAGGEKHMSA-N 1 3 399.373 3.998 20 0 GHADHO c1ccc(CN2C[C@@H](C[NH2+]C3CCC4(CCCO4)CC3)C3(C2)CCOCC3)cc1 ZINC000645490741 913933257 /nfs/dbraw/zinc/93/32/57/913933257.db2.gz NHWMWUGHBMUFFJ-BJYSPHJKSA-N 1 3 398.591 3.997 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000543763028 913954316 /nfs/dbraw/zinc/95/43/16/913954316.db2.gz XBOUQTOBDJPMIN-VVSUKSJXSA-N 1 3 394.538 3.690 20 0 GHADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000543763028 913954320 /nfs/dbraw/zinc/95/43/20/913954320.db2.gz XBOUQTOBDJPMIN-VVSUKSJXSA-N 1 3 394.538 3.690 20 0 GHADHO Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000543763028 913954326 /nfs/dbraw/zinc/95/43/26/913954326.db2.gz XBOUQTOBDJPMIN-VVSUKSJXSA-N 1 3 394.538 3.690 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000565547839 895714755 /nfs/dbraw/zinc/71/47/55/895714755.db2.gz DIOLZZSRYLUXID-VLCRHTCISA-N 1 3 375.601 3.610 20 0 GHADHO O=C(NC[C@H]1CCCN(CCCc2c(Cl)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000565775109 895868023 /nfs/dbraw/zinc/86/80/23/895868023.db2.gz HDWIJZDZUJKHHP-BEFAXECRSA-N 1 3 398.378 3.506 20 0 GHADHO O[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1C(F)(F)F ZINC000817890620 895930618 /nfs/dbraw/zinc/93/06/18/895930618.db2.gz VLRUEOYATNRDRB-NLWGTHIKSA-N 1 3 392.421 3.584 20 0 GHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000817892100 895950731 /nfs/dbraw/zinc/95/07/31/895950731.db2.gz QRBUAWUXVQSHSU-UQJUWTFNSA-N 1 3 391.515 3.720 20 0 GHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000817890984 895951012 /nfs/dbraw/zinc/95/10/12/895951012.db2.gz DAULALIIWSIZPF-LERMDLETSA-N 1 3 393.487 3.550 20 0 GHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902552 895954169 /nfs/dbraw/zinc/95/41/69/895954169.db2.gz TXRFCHDFWKRWKH-BXKMTCNYSA-N 1 3 391.515 3.812 20 0 GHADHO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000289118146 914042100 /nfs/dbraw/zinc/04/21/00/914042100.db2.gz DGZDIUJCCQWUFU-ROQCDXFCSA-N 1 3 382.552 3.794 20 0 GHADHO Cc1cccc(C)c1OC[C@H](O)CNC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000566792336 896576597 /nfs/dbraw/zinc/57/65/97/896576597.db2.gz SUZBAVGKZDPCFL-NFBKMPQASA-N 1 3 382.548 3.858 20 0 GHADHO COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000819321432 896611334 /nfs/dbraw/zinc/61/13/34/896611334.db2.gz HKQRZFNTEYEEIC-REWPJTCUSA-N 1 3 398.547 3.629 20 0 GHADHO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000567103534 896876855 /nfs/dbraw/zinc/87/68/55/896876855.db2.gz HSCLOFXYHOWQBN-QUURXOELSA-N 1 3 394.559 3.536 20 0 GHADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CNCc4ccccc43)c2)CC1 ZINC000567232191 896992444 /nfs/dbraw/zinc/99/24/44/896992444.db2.gz HGSZMDPQEXNIBW-QHCPKHFHSA-N 1 3 377.532 3.787 20 0 GHADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc2ccccc2c1 ZINC000568032820 897546599 /nfs/dbraw/zinc/54/65/99/897546599.db2.gz SJXJWAHDCOEDND-DVECYGJZSA-N 1 3 389.543 3.780 20 0 GHADHO C[C@H](N[C@@H](Cn1ccnc1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000883386157 897548144 /nfs/dbraw/zinc/54/81/44/897548144.db2.gz APEVOOYBFCHHCF-CVDCTZTESA-N 1 3 378.520 3.916 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCCC34CCCC4)CC2)CC1 ZINC000568211205 897678492 /nfs/dbraw/zinc/67/84/92/897678492.db2.gz WEEYSSCJIRQFSY-OAQYLSRUSA-N 1 3 375.601 3.802 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000132438324 897785814 /nfs/dbraw/zinc/78/58/14/897785814.db2.gz ZNYYSSCNRWNHAH-WVVQBRDUSA-N 1 3 385.552 3.781 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000132438324 897785823 /nfs/dbraw/zinc/78/58/23/897785823.db2.gz ZNYYSSCNRWNHAH-WVVQBRDUSA-N 1 3 385.552 3.781 20 0 GHADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000569211948 898434436 /nfs/dbraw/zinc/43/44/36/898434436.db2.gz ALKZAFKOCIBPMT-UPVQGACJSA-N 1 3 396.579 3.575 20 0 GHADHO CSC1(CNCc2nc3cc(C(F)(F)F)ccc3n2C)CC[NH+](C)CC1 ZINC000569651289 898851824 /nfs/dbraw/zinc/85/18/24/898851824.db2.gz AMGNPAOSWUEGRU-UHFFFAOYSA-N 1 3 386.487 3.509 20 0 GHADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(C(=O)OCc4ccccc4)[nH]3)C2)CC1 ZINC000824389816 899578417 /nfs/dbraw/zinc/57/84/17/899578417.db2.gz VCNXXXZBCZYQAQ-HXUWFJFHSA-N 1 3 381.520 3.535 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC001143715498 900393086 /nfs/dbraw/zinc/39/30/86/900393086.db2.gz KFPSTXWODLESHM-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC[C@H](O)COCc2cccs2)C1 ZINC000573236982 900429954 /nfs/dbraw/zinc/42/99/54/900429954.db2.gz STERRIOJPFABIX-NQIIRXRSSA-N 1 3 388.577 3.647 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC[C@H](O)COCc2cccs2)C1 ZINC000573236982 900429961 /nfs/dbraw/zinc/42/99/61/900429961.db2.gz STERRIOJPFABIX-NQIIRXRSSA-N 1 3 388.577 3.647 20 0 GHADHO CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000573813316 900643852 /nfs/dbraw/zinc/64/38/52/900643852.db2.gz NZRDTFYSXYZKCB-HKUYNNGSSA-N 1 3 385.552 3.851 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000574097701 900770515 /nfs/dbraw/zinc/77/05/15/900770515.db2.gz DPTYSHKOHUVGAT-JOCHJYFZSA-N 1 3 383.580 3.722 20 0 GHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cccc(O)c1C)CC2 ZINC001144111985 901075228 /nfs/dbraw/zinc/07/52/28/901075228.db2.gz GVBMJKHECKMGAV-JOCHJYFZSA-N 1 3 395.547 3.599 20 0 GHADHO C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000575233799 901169908 /nfs/dbraw/zinc/16/99/08/901169908.db2.gz CDACKJVCDTVNFH-DYESRHJHSA-N 1 3 375.532 3.541 20 0 GHADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc(CN)ccc3NC(=O)C(C)(C)C)c2c1 ZINC001171163348 901802151 /nfs/dbraw/zinc/80/21/51/901802151.db2.gz AVDABACIRZUTAT-HNNXBMFYSA-N 1 3 393.535 3.667 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCCCNC1 ZINC000576219361 901830290 /nfs/dbraw/zinc/83/02/90/901830290.db2.gz YWALNQABPPMKDE-WCQYABFASA-N 1 3 377.838 3.808 20 0 GHADHO NC1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C2CC3CC(C2)CC1C3 ZINC000333776995 902325980 /nfs/dbraw/zinc/32/59/80/902325980.db2.gz DCGBMUAEWMLHBV-UHFFFAOYSA-N 1 3 379.548 3.562 20 0 GHADHO CC(C)Cc1ccc([C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000129602984 902830948 /nfs/dbraw/zinc/83/09/48/902830948.db2.gz PAOOUAZEODLMRC-IBGZPJMESA-N 1 3 385.596 3.663 20 0 GHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646575705 914686431 /nfs/dbraw/zinc/68/64/31/914686431.db2.gz ZETKPHCOMGZVGM-RTWAWAEBSA-N 1 3 397.588 3.881 20 0 GHADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000601214027 903470056 /nfs/dbraw/zinc/47/00/56/903470056.db2.gz RLFJEGIBGVQHEL-RTBURBONSA-N 1 3 392.613 3.693 20 0 GHADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000578985356 904277229 /nfs/dbraw/zinc/27/72/29/904277229.db2.gz UEICZSWOOZLTLX-AEFFLSMTSA-N 1 3 399.501 3.621 20 0 GHADHO C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967457 905175996 /nfs/dbraw/zinc/17/59/96/905175996.db2.gz ACOPMPFQJHVWAQ-PKOBYXMFSA-N 1 3 375.557 3.932 20 0 GHADHO C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967457 905176004 /nfs/dbraw/zinc/17/60/04/905176004.db2.gz ACOPMPFQJHVWAQ-PKOBYXMFSA-N 1 3 375.557 3.932 20 0 GHADHO CCN1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1=O ZINC001172029458 905265091 /nfs/dbraw/zinc/26/50/91/905265091.db2.gz BKSLMRDZWQADAC-KMDXXIMOSA-N 1 3 391.559 3.645 20 0 GHADHO CCN1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1=O ZINC001172029458 905265101 /nfs/dbraw/zinc/26/51/01/905265101.db2.gz BKSLMRDZWQADAC-KMDXXIMOSA-N 1 3 391.559 3.645 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccccc1 ZINC001172073137 905277635 /nfs/dbraw/zinc/27/76/35/905277635.db2.gz OHYHREWJUBERBJ-WBDAEOGXSA-N 1 3 392.547 3.983 20 0 GHADHO O=C(NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccc1 ZINC001172073137 905277653 /nfs/dbraw/zinc/27/76/53/905277653.db2.gz OHYHREWJUBERBJ-WBDAEOGXSA-N 1 3 392.547 3.983 20 0 GHADHO O[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063352 905328188 /nfs/dbraw/zinc/32/81/88/905328188.db2.gz YONCUKOSRCWGBO-ZKGSSEMHSA-N 1 3 394.559 3.739 20 0 GHADHO O[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063352 905328203 /nfs/dbraw/zinc/32/82/03/905328203.db2.gz YONCUKOSRCWGBO-ZKGSSEMHSA-N 1 3 394.559 3.739 20 0 GHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC001172067528 905335140 /nfs/dbraw/zinc/33/51/40/905335140.db2.gz GEGSFVFJVYZUFA-GPJHCHHRSA-N 1 3 391.563 3.621 20 0 GHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC001172067528 905335158 /nfs/dbraw/zinc/33/51/58/905335158.db2.gz GEGSFVFJVYZUFA-GPJHCHHRSA-N 1 3 391.563 3.621 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H](NC2CC([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172603861 905663999 /nfs/dbraw/zinc/66/39/99/905663999.db2.gz JLWZHTCFYORVNK-AFNJWWOFSA-N 1 3 377.504 3.654 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C2CC(N)C2)CCN1C(=O)OC(C)(C)C ZINC001172603861 905664008 /nfs/dbraw/zinc/66/40/08/905664008.db2.gz JLWZHTCFYORVNK-AFNJWWOFSA-N 1 3 377.504 3.654 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584942 921166042 /nfs/dbraw/zinc/16/60/42/921166042.db2.gz OBMRYPXGDJXISD-JTHBVZDNSA-N 1 3 398.547 3.628 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584942 921166044 /nfs/dbraw/zinc/16/60/44/921166044.db2.gz OBMRYPXGDJXISD-JTHBVZDNSA-N 1 3 398.547 3.628 20 0 GHADHO O=C(c1ccc(F)cc1)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC001172999477 906073612 /nfs/dbraw/zinc/07/36/12/906073612.db2.gz PKKDQLHMBDOCEU-UHFFFAOYSA-N 1 3 387.543 3.817 20 0 GHADHO C[C@@H]1CC[C@@H](NCc2ccccc2OCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173052794 906125612 /nfs/dbraw/zinc/12/56/12/906125612.db2.gz HSUVZDSLYXLSTI-IEBWSBKVSA-N 1 3 391.556 3.505 20 0 GHADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+]([C@H]1CCc3ncsc3C1)CC2 ZINC001173137576 906220473 /nfs/dbraw/zinc/22/04/73/906220473.db2.gz VKCNALUBDFZBNP-SFHVURJKSA-N 1 3 382.577 3.772 20 0 GHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(C(=O)c4ccccc4)CC3)CC2)C1 ZINC000177855221 906229659 /nfs/dbraw/zinc/22/96/59/906229659.db2.gz AJHQKVFXUONQAV-AUSIDOKSSA-N 1 3 383.580 3.924 20 0 GHADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183185922 907345959 /nfs/dbraw/zinc/34/59/59/907345959.db2.gz UQTYRWQQPZOAPC-OWCLPIDISA-N 1 3 378.948 3.695 20 0 GHADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183185922 907345974 /nfs/dbraw/zinc/34/59/74/907345974.db2.gz UQTYRWQQPZOAPC-OWCLPIDISA-N 1 3 378.948 3.695 20 0 GHADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185922 907345992 /nfs/dbraw/zinc/34/59/92/907345992.db2.gz UQTYRWQQPZOAPC-OWCLPIDISA-N 1 3 378.948 3.695 20 0 GHADHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3CCCc4ncccc43)C3(C2)CCOCC3)cc1 ZINC000631634898 907783071 /nfs/dbraw/zinc/78/30/71/907783071.db2.gz NWWXAKDUCZVYLP-QPPBQGQZSA-N 1 3 391.559 3.977 20 0 GHADHO COc1cccc2c1OCCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000631646872 907786770 /nfs/dbraw/zinc/78/67/70/907786770.db2.gz OJEYFGNTTHMEIZ-NRFANRHFSA-N 1 3 381.520 3.806 20 0 GHADHO COc1cncc(/C=C\CCN2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001175972401 907845569 /nfs/dbraw/zinc/84/55/69/907845569.db2.gz AZHLEGKVTXSDET-NXFSZHQFSA-N 1 3 377.532 3.947 20 0 GHADHO COc1cncc(/C=C\CCN2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001175972401 907845580 /nfs/dbraw/zinc/84/55/80/907845580.db2.gz AZHLEGKVTXSDET-NXFSZHQFSA-N 1 3 377.532 3.947 20 0 GHADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCCS2 ZINC000188037432 908169991 /nfs/dbraw/zinc/16/99/91/908169991.db2.gz ATKVGKLTGKNZHH-UZLBHIALSA-N 1 3 376.566 3.713 20 0 GHADHO CC(C)c1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000189202085 908296152 /nfs/dbraw/zinc/29/61/52/908296152.db2.gz RQRFQVWTEOCVEZ-UHFFFAOYSA-N 1 3 377.960 3.752 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCS2 ZINC000191547344 908640864 /nfs/dbraw/zinc/64/08/64/908640864.db2.gz XIGVJYJKDDBMAO-KNQAVFIVSA-N 1 3 398.572 3.979 20 0 GHADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCS2 ZINC000191547344 908640870 /nfs/dbraw/zinc/64/08/70/908640870.db2.gz XIGVJYJKDDBMAO-KNQAVFIVSA-N 1 3 398.572 3.979 20 0 GHADHO C[N@@H+]1CCC[C@H](CNCc2ccc(C(=O)NC3CC3)cc2)[C@@H]1c1cccs1 ZINC001177920295 908803396 /nfs/dbraw/zinc/80/33/96/908803396.db2.gz RTNQRZOMXLFLQX-WIYYLYMNSA-N 1 3 383.561 3.813 20 0 GHADHO C[N@H+]1CCC[C@H](CNCc2ccc(C(=O)NC3CC3)cc2)[C@@H]1c1cccs1 ZINC001177920295 908803416 /nfs/dbraw/zinc/80/34/16/908803416.db2.gz RTNQRZOMXLFLQX-WIYYLYMNSA-N 1 3 383.561 3.813 20 0 GHADHO C[C@@H](CCNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC001178463666 909065357 /nfs/dbraw/zinc/06/53/57/909065357.db2.gz SZOXLADLFMPUHV-LSDHHAIUSA-N 1 3 381.483 3.686 20 0 GHADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000635013248 909101666 /nfs/dbraw/zinc/10/16/66/909101666.db2.gz ZNZHFMZOKHAKQM-KRWDZBQOSA-N 1 3 398.572 3.899 20 0 GHADHO COCOc1ccc(OC)cc1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000245739756 909876703 /nfs/dbraw/zinc/87/67/03/909876703.db2.gz LJIHVPZREGRDIN-HROJSSOGSA-N 1 3 398.547 3.924 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(Cc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1 ZINC001180167029 910004310 /nfs/dbraw/zinc/00/43/10/910004310.db2.gz ZESVEQBVJGBERM-UHFFFAOYSA-N 1 3 383.536 3.924 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(Cc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1 ZINC001180167029 910004326 /nfs/dbraw/zinc/00/43/26/910004326.db2.gz ZESVEQBVJGBERM-UHFFFAOYSA-N 1 3 383.536 3.924 20 0 GHADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000269074026 910127063 /nfs/dbraw/zinc/12/70/63/910127063.db2.gz XSNNWZZSNOEURP-CYBMUJFWSA-N 1 3 379.957 3.879 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cn1nccc1-c1ccncc1 ZINC000092294987 911471610 /nfs/dbraw/zinc/47/16/10/911471610.db2.gz QIJFOOVGWOJVOU-UHFFFAOYSA-N 1 3 376.508 3.536 20 0 GHADHO C[NH+](C)Cc1ccc(CN2CCC[C@]3(CCSC3)C2)c2c1OC(F)(F)O2 ZINC001182325665 911488815 /nfs/dbraw/zinc/48/88/15/911488815.db2.gz CAWGCJRQTADLMI-SFHVURJKSA-N 1 3 384.492 3.789 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CNCc3cc4ccccc4[nH]c3=O)cc2)CC1 ZINC000284085032 911746174 /nfs/dbraw/zinc/74/61/74/911746174.db2.gz RHQWFKIRPJTZPC-UHFFFAOYSA-N 1 3 377.488 3.703 20 0 GHADHO COc1ccc(C[NH+]2CCC(CN[C@@H](C)c3cc4n(n3)CCCC4)CC2)cc1 ZINC000647286313 915137191 /nfs/dbraw/zinc/13/71/91/915137191.db2.gz KNPZUHWDKCZVSG-SFHVURJKSA-N 1 3 382.552 3.791 20 0 GHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000293962395 916498803 /nfs/dbraw/zinc/49/88/03/916498803.db2.gz ZZAZFMDJWJVWRP-SFHVURJKSA-N 1 3 397.519 3.825 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)cc1CN1CCCCC1 ZINC000775392740 917380267 /nfs/dbraw/zinc/38/02/67/917380267.db2.gz APZRUTZDARRXAF-GCJKJVERSA-N 1 3 391.625 3.769 20 0 GHADHO Cn1cncc1CCCN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000653588442 918333465 /nfs/dbraw/zinc/33/34/65/918333465.db2.gz WKUCMIFDQKBSKW-UHFFFAOYSA-N 1 3 394.485 3.968 20 0 GHADHO Cn1cncc1CCCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000653588442 918333484 /nfs/dbraw/zinc/33/34/84/918333484.db2.gz WKUCMIFDQKBSKW-UHFFFAOYSA-N 1 3 394.485 3.968 20 0 GHADHO CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCc2cncn2C)CC1 ZINC000653588442 918333498 /nfs/dbraw/zinc/33/34/98/918333498.db2.gz WKUCMIFDQKBSKW-UHFFFAOYSA-N 1 3 394.485 3.968 20 0 GHADHO CC(C)CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000365081713 920365748 /nfs/dbraw/zinc/36/57/48/920365748.db2.gz DHLKBGKXWZNYCK-UHFFFAOYSA-N 1 3 378.605 3.545 20 0 GHADHO c1nnc([C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455223 923035719 /nfs/dbraw/zinc/03/57/19/923035719.db2.gz JTNNUOKDSZRUHR-WBADGQHESA-N 1 3 387.531 3.784 20 0 GHADHO c1nnc([C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455223 923035729 /nfs/dbraw/zinc/03/57/29/923035729.db2.gz JTNNUOKDSZRUHR-WBADGQHESA-N 1 3 387.531 3.784 20 0 GHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CNCCC2(F)F)o1 ZINC000903955979 923434708 /nfs/dbraw/zinc/43/47/08/923434708.db2.gz DLXQSOLIFFEFEB-QGZVFWFLSA-N 1 3 386.446 3.775 20 0 GHADHO C[NH+](C)CC1CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000676751077 924061738 /nfs/dbraw/zinc/06/17/38/924061738.db2.gz WDTIFLSPWASXMU-KITAHSCOSA-N 1 3 386.584 3.633 20 0 GHADHO COc1ccc(OC2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000678142742 924631759 /nfs/dbraw/zinc/63/17/59/924631759.db2.gz LKVOYDFIBUFHDA-UHFFFAOYSA-N 1 3 384.520 3.679 20 0 GHADHO CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)c1 ZINC000827315158 925264141 /nfs/dbraw/zinc/26/41/41/925264141.db2.gz NXKGWOGCVIFQSP-IBGZPJMESA-N 1 3 388.943 3.592 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@]3(CC[C@H](C)C3)C2)CC1 ZINC000679836041 925279789 /nfs/dbraw/zinc/27/97/89/925279789.db2.gz VJXZFXXLKGVCCY-YADARESESA-N 1 3 383.580 3.588 20 0 GHADHO COc1ccc(NC(=O)CCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000411512029 926470318 /nfs/dbraw/zinc/47/03/18/926470318.db2.gz ADNJCTSKZLCDPL-CVEARBPZSA-N 1 3 393.959 3.920 20 0 GHADHO COc1ccc(NC(=O)CCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000411512029 926470322 /nfs/dbraw/zinc/47/03/22/926470322.db2.gz ADNJCTSKZLCDPL-CVEARBPZSA-N 1 3 393.959 3.920 20 0 GHADHO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(CN3CCCCC3)c2)cc1 ZINC000411546949 926497359 /nfs/dbraw/zinc/49/73/59/926497359.db2.gz BOMVONRBPLKCDP-UHFFFAOYSA-N 1 3 381.520 3.865 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411788224 926773051 /nfs/dbraw/zinc/77/30/51/926773051.db2.gz GJCVSYSXXWCPSS-FGTMMUONSA-N 1 3 375.582 3.744 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411788224 926773054 /nfs/dbraw/zinc/77/30/54/926773054.db2.gz GJCVSYSXXWCPSS-FGTMMUONSA-N 1 3 375.582 3.744 20 0 GHADHO COC1([C@@H](C)[NH2+]Cc2ccc(F)c(CN[C@@H](C)C3(OC)CCC3)c2)CCC1 ZINC000412017538 927008272 /nfs/dbraw/zinc/00/82/72/927008272.db2.gz AATYKJQGIXOFGH-SJORKVTESA-N 1 3 378.532 3.920 20 0 GHADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000467338128 928973951 /nfs/dbraw/zinc/97/39/51/928973951.db2.gz IFBVYBSSFZHQCN-BJKOFHAPSA-N 1 3 392.591 3.953 20 0 GHADHO OCCN1CCN(CCCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000467387111 929026066 /nfs/dbraw/zinc/02/60/66/929026066.db2.gz DXPIHBMHUXVPMJ-JOCHJYFZSA-N 1 3 394.003 3.551 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000757727334 929784438 /nfs/dbraw/zinc/78/44/38/929784438.db2.gz HBGIOOVEZHVOJT-DNJQPREOSA-N 1 3 398.595 3.746 20 0 GHADHO C[C@H](NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000469757718 930139433 /nfs/dbraw/zinc/13/94/33/930139433.db2.gz NPCOIZSNVVNMQR-FHWLQOOXSA-N 1 3 397.538 3.749 20 0 GHADHO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000781421820 930837831 /nfs/dbraw/zinc/83/78/31/930837831.db2.gz LQKFYWRFXVSZTR-FDFHNCONSA-N 1 3 399.579 3.744 20 0 GHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925221584 931707283 /nfs/dbraw/zinc/70/72/83/931707283.db2.gz MNKXAIFDXFLIFN-GOSISDBHSA-N 1 3 382.548 3.722 20 0 GHADHO O=C1O[C@H](CN[C@@H]2CCCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925850192 931922710 /nfs/dbraw/zinc/92/27/10/931922710.db2.gz GTGJUZMUNWEQQT-GOEBONIOSA-N 1 3 380.941 3.542 20 0 GHADHO Cc1cc(C)cc(OC[C@H](O)CNC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000558732021 932198998 /nfs/dbraw/zinc/19/89/98/932198998.db2.gz NFRXDRCWSGLMGE-HSZRJFAPSA-N 1 3 382.548 3.606 20 0 GHADHO CCCN1CCC([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 ZINC000798270328 932585094 /nfs/dbraw/zinc/58/50/94/932585094.db2.gz NECWCSKYJKLLBH-LJQANCHMSA-N 1 3 391.556 3.725 20 0 GHADHO C[NH+](C)CCOc1ccc(CNCc2cc(F)cc(Br)c2)cc1 ZINC000559675932 932789165 /nfs/dbraw/zinc/78/91/65/932789165.db2.gz CISYJRQNJWTQRZ-UHFFFAOYSA-N 1 3 381.289 3.818 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936083 932824167 /nfs/dbraw/zinc/82/41/67/932824167.db2.gz XJHFNESKWLOOQX-DQEYMECFSA-N 1 3 391.559 3.982 20 0 GHADHO CC(=O)N1CC[C@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936083 932824187 /nfs/dbraw/zinc/82/41/87/932824187.db2.gz XJHFNESKWLOOQX-DQEYMECFSA-N 1 3 391.559 3.982 20 0 GHADHO CCNC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000560543479 933329236 /nfs/dbraw/zinc/32/92/36/933329236.db2.gz IHFMDGGUBGZRHJ-BHDDXSALSA-N 1 3 383.580 3.573 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C[C@H]1C(F)(F)F ZINC001119953617 934424330 /nfs/dbraw/zinc/42/43/30/934424330.db2.gz ILFDDASEBFXQTB-CGTJXYLNSA-N 1 3 390.490 3.893 20 0 GHADHO Cc1ccc(Cl)cc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910525 1014572378 /nfs/dbraw/zinc/57/23/78/1014572378.db2.gz FPSYRPNCXRMLHR-LJQANCHMSA-N 1 3 394.906 3.887 20 0 GHADHO Cc1ccc(Cl)cc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211910525 1014572386 /nfs/dbraw/zinc/57/23/86/1014572386.db2.gz FPSYRPNCXRMLHR-LJQANCHMSA-N 1 3 394.906 3.887 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000468579114 1015819433 /nfs/dbraw/zinc/81/94/33/1015819433.db2.gz QGPXCKYWIQVZHM-HSZRJFAPSA-N 1 3 393.575 3.951 20 0 GHADHO CN(C)Cc1cccc(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000468579114 1015819441 /nfs/dbraw/zinc/81/94/41/1015819441.db2.gz QGPXCKYWIQVZHM-HSZRJFAPSA-N 1 3 393.575 3.951 20 0 GHADHO c1cc(CN2CCOCC3(CCC3)C2)cc(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000545396927 1015839687 /nfs/dbraw/zinc/83/96/87/1015839687.db2.gz BIORQEKSYHNMMD-UHFFFAOYSA-N 1 3 384.564 3.692 20 0 GHADHO c1cc(CN2CCOCC3(CCC3)C2)cc(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000545396927 1015839691 /nfs/dbraw/zinc/83/96/91/1015839691.db2.gz BIORQEKSYHNMMD-UHFFFAOYSA-N 1 3 384.564 3.692 20 0 GHADHO CC1CCN(C[C@@H](O)C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000545460798 1015895192 /nfs/dbraw/zinc/89/51/92/1015895192.db2.gz LUICXKQTUMZDFD-FCHUYYIVSA-N 1 3 387.955 3.701 20 0 GHADHO CN(C)[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000470753122 1016882521 /nfs/dbraw/zinc/88/25/21/1016882521.db2.gz CZGUYYSNHAXTGO-XZOQPEGZSA-N 1 3 394.563 3.595 20 0 GHADHO CN(C)[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000470753122 1016882528 /nfs/dbraw/zinc/88/25/28/1016882528.db2.gz CZGUYYSNHAXTGO-XZOQPEGZSA-N 1 3 394.563 3.595 20 0 GHADHO Cc1ccc(C[C@H](N)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)c1 ZINC001221010847 1032235388 /nfs/dbraw/zinc/23/53/88/1032235388.db2.gz RQMQWFOETJQIND-XZOQPEGZSA-N 1 3 393.575 3.590 20 0 GHADHO Cc1ccc(C[C@H](N)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)c1 ZINC001221010847 1032235392 /nfs/dbraw/zinc/23/53/92/1032235392.db2.gz RQMQWFOETJQIND-XZOQPEGZSA-N 1 3 393.575 3.590 20 0 GHADHO C[C@@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1ccncc1F ZINC001227163407 1032301551 /nfs/dbraw/zinc/30/15/51/1032301551.db2.gz DBLYJDNSXCEVOC-MRXNPFEDSA-N 1 3 388.531 3.546 20 0 GHADHO CC(C)[PH+](CCNC(=O)[C@@H](N)Cc1ccc2c(c1)COC(C)(C)O2)C(C)C ZINC001221254883 1032349989 /nfs/dbraw/zinc/34/99/89/1032349989.db2.gz YOIIELOEKWZQBI-SFHVURJKSA-N 1 3 394.496 3.616 20 0 GHADHO CC(C)CCO[C@@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001221407873 1032401831 /nfs/dbraw/zinc/40/18/31/1032401831.db2.gz FIXPRDIKABJRGN-PMACEKPBSA-N 1 3 397.991 3.619 20 0 GHADHO CC(C)CCO[C@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001221407875 1032402064 /nfs/dbraw/zinc/40/20/64/1032402064.db2.gz FIXPRDIKABJRGN-VQTJNVASSA-N 1 3 397.991 3.619 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001221461928 1032425034 /nfs/dbraw/zinc/42/50/34/1032425034.db2.gz CSTZHAIMZYJHFE-BGYRXZFFSA-N 1 3 392.632 3.650 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001221461928 1032425037 /nfs/dbraw/zinc/42/50/37/1032425037.db2.gz CSTZHAIMZYJHFE-BGYRXZFFSA-N 1 3 392.632 3.650 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001221472547 1032430069 /nfs/dbraw/zinc/43/00/69/1032430069.db2.gz NZQQVVFHQUEGHL-WSATVANYSA-N 1 3 384.568 3.528 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC001204269216 1032713829 /nfs/dbraw/zinc/71/38/29/1032713829.db2.gz XDKXOAPUJKTSHH-UHFFFAOYSA-N 1 3 386.511 3.640 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC[C@H](O)COCc2cccs2)CC1 ZINC000562984327 1018891429 /nfs/dbraw/zinc/89/14/29/1018891429.db2.gz FKPMLCCLPSBFTB-NRFANRHFSA-N 1 3 388.577 3.647 20 0 GHADHO CSc1ccc(OC[C@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000576696970 1020054277 /nfs/dbraw/zinc/05/42/77/1020054277.db2.gz XWTYTJASNUXZJT-HXUWFJFHSA-N 1 3 386.561 3.534 20 0 GHADHO O[C@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439869 1020791747 /nfs/dbraw/zinc/79/17/47/1020791747.db2.gz YVVNJWSKWYBOAE-AANQFLQQSA-N 1 3 376.544 3.996 20 0 GHADHO O[C@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439869 1020791756 /nfs/dbraw/zinc/79/17/56/1020791756.db2.gz YVVNJWSKWYBOAE-AANQFLQQSA-N 1 3 376.544 3.996 20 0 GHADHO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000834892352 1021632371 /nfs/dbraw/zinc/63/23/71/1021632371.db2.gz LWXPGVUGEDVVIM-ZMWHVPEISA-N 1 3 387.568 3.726 20 0 GHADHO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834892352 1021632397 /nfs/dbraw/zinc/63/23/97/1021632397.db2.gz LWXPGVUGEDVVIM-ZMWHVPEISA-N 1 3 387.568 3.726 20 0 GHADHO COc1ccc([C@@H]2CCCN2Cc2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000678131113 1021906723 /nfs/dbraw/zinc/90/67/23/1021906723.db2.gz HYQDZDRZNSPSJR-NRFANRHFSA-N 1 3 384.520 3.981 20 0 GHADHO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC001141037512 1023349738 /nfs/dbraw/zinc/34/97/38/1023349738.db2.gz QVDWWLNRPJTWLG-QFIPXVFZSA-N 1 3 382.504 3.927 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC001141037512 1023349753 /nfs/dbraw/zinc/34/97/53/1023349753.db2.gz QVDWWLNRPJTWLG-QFIPXVFZSA-N 1 3 382.504 3.927 20 0 GHADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC001141037512 1023349759 /nfs/dbraw/zinc/34/97/59/1023349759.db2.gz QVDWWLNRPJTWLG-QFIPXVFZSA-N 1 3 382.504 3.927 20 0 GHADHO COc1ccc(-c2ccc(CN3CCN(CC4CC[NH+](C)CC4)CC3)cc2)cc1 ZINC001138517769 1024957696 /nfs/dbraw/zinc/95/76/96/1024957696.db2.gz MRHKZNGDJLOWKS-UHFFFAOYSA-N 1 3 393.575 3.822 20 0 GHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cnc3[nH]ccc3c1)CC2 ZINC001138738128 1025274725 /nfs/dbraw/zinc/27/47/25/1025274725.db2.gz LQVDXLFSNUMUSJ-JOCHJYFZSA-N 1 3 390.531 3.818 20 0 GHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cnc3[nH]ccc3c1)CC2 ZINC001138738128 1025274737 /nfs/dbraw/zinc/27/47/37/1025274737.db2.gz LQVDXLFSNUMUSJ-JOCHJYFZSA-N 1 3 390.531 3.818 20 0 GHADHO CCN(CC)CCNC(=[NH2+])Nc1c(OC)ccc2c(Cl)cc(Cl)nc21 ZINC001163128184 1026058779 /nfs/dbraw/zinc/05/87/79/1026058779.db2.gz DDLWMYKZFOSVNT-UHFFFAOYSA-N 1 3 384.311 3.828 20 0 GHADHO COc1ccc(OC)c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1N ZINC001139277235 1026123787 /nfs/dbraw/zinc/12/37/87/1026123787.db2.gz PMKWXAIGYUAJDS-PMACEKPBSA-N 1 3 395.547 3.630 20 0 GHADHO COc1ccc(OC)c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1N ZINC001139277235 1026123801 /nfs/dbraw/zinc/12/38/01/1026123801.db2.gz PMKWXAIGYUAJDS-PMACEKPBSA-N 1 3 395.547 3.630 20 0 GHADHO Fc1cccc(N(c2cc(N3CCCC3)ccn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001165474318 1026736698 /nfs/dbraw/zinc/73/66/98/1026736698.db2.gz FWDJVHYWACHYHZ-JTHBVZDNSA-N 1 3 396.510 3.870 20 0 GHADHO CC(C)N1CCN(Cc2ccc(NCC3CC[NH+](C(C)C)CC3)c(F)c2)CC1 ZINC001166637129 1027045672 /nfs/dbraw/zinc/04/56/72/1027045672.db2.gz QLAJZQPRVRNNFA-UHFFFAOYSA-N 1 3 390.591 3.884 20 0 GHADHO COc1ccc2oc(C[N@@H+]3CC[C@@]4(CN(C)C[C@@H]4COCC4CC4)C3)cc2c1 ZINC001209768450 1027169830 /nfs/dbraw/zinc/16/98/30/1027169830.db2.gz MJBFYCLBFGZRPQ-AUSIDOKSSA-N 1 3 384.520 3.622 20 0 GHADHO COc1ccc2oc(C[N@H+]3CC[C@@]4(CN(C)C[C@@H]4COCC4CC4)C3)cc2c1 ZINC001209768450 1027169839 /nfs/dbraw/zinc/16/98/39/1027169839.db2.gz MJBFYCLBFGZRPQ-AUSIDOKSSA-N 1 3 384.520 3.622 20 0 GHADHO CC[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001211270046 1027876802 /nfs/dbraw/zinc/87/68/02/1027876802.db2.gz SYLJPNUHCKFVLO-VXKWHMMOSA-N 1 3 398.595 3.530 20 0 GHADHO CC[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001211270046 1027876826 /nfs/dbraw/zinc/87/68/26/1027876826.db2.gz SYLJPNUHCKFVLO-VXKWHMMOSA-N 1 3 398.595 3.530 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC001211311852 1027904771 /nfs/dbraw/zinc/90/47/71/1027904771.db2.gz JLBGJPYMZRTUEB-XQBPLPMBSA-N 1 3 388.600 3.519 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC001211311852 1027904777 /nfs/dbraw/zinc/90/47/77/1027904777.db2.gz JLBGJPYMZRTUEB-XQBPLPMBSA-N 1 3 388.600 3.519 20 0 GHADHO COCc1cc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1OC ZINC000840883965 1027920983 /nfs/dbraw/zinc/92/09/83/1027920983.db2.gz HXAAYUFSWVIPQF-LJQANCHMSA-N 1 3 398.547 3.519 20 0 GHADHO c1ccc(CN2CC3(C2)CC[NH+](Cc2ccc4c(c2)OCCCO4)CC3)cc1 ZINC001142271972 1028541559 /nfs/dbraw/zinc/54/15/59/1028541559.db2.gz ZUJNVYMTAKHBBG-UHFFFAOYSA-N 1 3 378.516 3.946 20 0 GHADHO c1ccc(C[NH+]2CC3(C2)CCN(Cc2ccc4c(c2)OCCCO4)CC3)cc1 ZINC001142271972 1028541568 /nfs/dbraw/zinc/54/15/68/1028541568.db2.gz ZUJNVYMTAKHBBG-UHFFFAOYSA-N 1 3 378.516 3.946 20 0 GHADHO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142908850 1029671887 /nfs/dbraw/zinc/67/18/87/1029671887.db2.gz JRIYXVFLZNOZOG-XMMPIXPASA-N 1 3 378.516 3.500 20 0 GHADHO COC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001142908850 1029671892 /nfs/dbraw/zinc/67/18/92/1029671892.db2.gz JRIYXVFLZNOZOG-XMMPIXPASA-N 1 3 378.516 3.500 20 0 GHADHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000842920718 1029685236 /nfs/dbraw/zinc/68/52/36/1029685236.db2.gz KQOIIVDWWGCWLJ-WEYGHZABSA-N 1 3 379.504 3.639 20 0 GHADHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000842920718 1029685247 /nfs/dbraw/zinc/68/52/47/1029685247.db2.gz KQOIIVDWWGCWLJ-WEYGHZABSA-N 1 3 379.504 3.639 20 0 GHADHO CC(C)n1ncc2cc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c(Cl)nc21 ZINC000843127722 1029817818 /nfs/dbraw/zinc/81/78/18/1029817818.db2.gz SRICXXKDIRQISX-JKSUJKDBSA-N 1 3 375.948 3.877 20 0 GHADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843385651 1029954029 /nfs/dbraw/zinc/95/40/29/1029954029.db2.gz BIJSFWHRDXVDFK-HKBOAZHASA-N 1 3 398.595 3.716 20 0 GHADHO C[NH+]1CCC(C(=O)N(Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001143311650 1030017126 /nfs/dbraw/zinc/01/71/26/1030017126.db2.gz UJOZDNKUMTZXHH-DEOSSOPVSA-N 1 3 391.559 3.632 20 0 GHADHO CCOC(=O)c1c2ccccc2sc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218586700 1030996343 /nfs/dbraw/zinc/99/63/43/1030996343.db2.gz AQPFSKIDNPCPBL-HNNXBMFYSA-N 1 3 391.537 3.512 20 0 GHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001224901156 1031169989 /nfs/dbraw/zinc/16/99/89/1031169989.db2.gz XJSJOVJPGMRNIO-SOSXJGDFSA-N 1 3 398.595 3.728 20 0 GHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001224901156 1031169992 /nfs/dbraw/zinc/16/99/92/1031169992.db2.gz XJSJOVJPGMRNIO-SOSXJGDFSA-N 1 3 398.595 3.728 20 0 GHADHO CC[C@]1(C(=O)Nc2cccc3c2CN(C)C[C@@H]3c2ccccc2)CCC[NH2+]C1 ZINC001219047055 1031230294 /nfs/dbraw/zinc/23/02/94/1031230294.db2.gz PAYAFRZWSROTMU-YKSBVNFPSA-N 1 3 377.532 3.982 20 0 GHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001219999610 1031738694 /nfs/dbraw/zinc/73/86/94/1031738694.db2.gz YJCZBNHSHCHXHT-XPWALMASSA-N 1 3 377.532 3.681 20 0 GHADHO C[C@H](CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001154078138 1031914537 /nfs/dbraw/zinc/91/45/37/1031914537.db2.gz KXXYOOIXUBVJCY-NHCUHLMSSA-N 1 3 385.596 3.710 20 0 GHADHO CC[C@@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)N1CCc2ccccc2C1 ZINC001220618777 1032018445 /nfs/dbraw/zinc/01/84/45/1032018445.db2.gz DBIUJLFJQIHOIM-QFIPXVFZSA-N 1 3 388.600 3.631 20 0 GHADHO Cc1nc(N2CCCC2)cc(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC001157066523 1033399120 /nfs/dbraw/zinc/39/91/20/1033399120.db2.gz JOKWKCGHKSCHRX-UHFFFAOYSA-N 1 3 383.515 3.625 20 0 GHADHO Cc1nc(N2CCCC2)cc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC001157066523 1033399139 /nfs/dbraw/zinc/39/91/39/1033399139.db2.gz JOKWKCGHKSCHRX-UHFFFAOYSA-N 1 3 383.515 3.625 20 0 GHADHO CN(Cc1ccc(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)nc1)C1CC1 ZINC001157328160 1033535810 /nfs/dbraw/zinc/53/58/10/1033535810.db2.gz CYZCCKKNGKUZRO-UHFFFAOYSA-N 1 3 388.519 3.509 20 0 GHADHO CCN(C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC001229619339 1033596853 /nfs/dbraw/zinc/59/68/53/1033596853.db2.gz FQJTUAYCQHOEDL-FGZHOGPDSA-N 1 3 388.600 3.614 20 0 GHADHO CCN(C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC001229619339 1033596855 /nfs/dbraw/zinc/59/68/55/1033596855.db2.gz FQJTUAYCQHOEDL-FGZHOGPDSA-N 1 3 388.600 3.614 20 0 GHADHO C[C@@H]1CN(Cc2cc(OC(F)F)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206024127 1033690971 /nfs/dbraw/zinc/69/09/71/1033690971.db2.gz HXHUVTIDHHYNSZ-NEPJUHHUSA-N 1 3 377.273 3.857 20 0 GHADHO Cc1cc(CN2CCC[C@@](C)(C[NH3+])CC2)cc(C)c1I ZINC001206326823 1033798696 /nfs/dbraw/zinc/79/86/96/1033798696.db2.gz PKHKBZWEKACUGJ-QGZVFWFLSA-N 1 3 386.321 3.859 20 0 GHADHO CN(C)Cc1ccnc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001158087274 1033907070 /nfs/dbraw/zinc/90/70/70/1033907070.db2.gz GTTXMRYQQHUMDN-UHFFFAOYSA-N 1 3 392.469 3.921 20 0 GHADHO CC1([NH+]2CCOCC2)CCC(N[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC001206720344 1033956724 /nfs/dbraw/zinc/95/67/24/1033956724.db2.gz DBBWZEGFZBLGFW-LTCLLZNKSA-N 1 3 387.351 3.650 20 0 GHADHO C[NH+](C)CC(C)(C)CN1CCC2(C=C(C(=O)NCC3CC3)c3ccccc32)CC1 ZINC001207282681 1034235087 /nfs/dbraw/zinc/23/50/87/1034235087.db2.gz UROXHBILPBBGJV-UHFFFAOYSA-N 1 3 395.591 3.531 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)cc(C4CC4)n3)c3ccccc23)CC1 ZINC001159461283 1034606365 /nfs/dbraw/zinc/60/63/65/1034606365.db2.gz SYLDBUQCPJKRDQ-UHFFFAOYSA-N 1 3 395.938 3.917 20 0 GHADHO [NH3+]C1CCN(c2cccc(N[C@@H](Cc3ccccc3)c3nccs3)n2)CC1 ZINC001159575679 1034675073 /nfs/dbraw/zinc/67/50/73/1034675073.db2.gz MTTIURANQLINQO-SFHVURJKSA-N 1 3 379.533 3.862 20 0 GHADHO c1ccc(C[N@H+]2CCCC[C@H]2CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001208583895 1034941980 /nfs/dbraw/zinc/94/19/80/1034941980.db2.gz COSBCOGAJCNZIX-CCDWMCETSA-N 1 3 390.575 3.785 20 0 GHADHO c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001208583895 1034941984 /nfs/dbraw/zinc/94/19/84/1034941984.db2.gz COSBCOGAJCNZIX-CCDWMCETSA-N 1 3 390.575 3.785 20 0 GHADHO c1ccc(COCCOCC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001208752458 1034999506 /nfs/dbraw/zinc/99/95/06/1034999506.db2.gz QNBZSLMRULDFHI-RUZDIDTESA-N 1 3 394.559 3.818 20 0 GHADHO c1ccc(COCCOCC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001208752458 1034999508 /nfs/dbraw/zinc/99/95/08/1034999508.db2.gz QNBZSLMRULDFHI-RUZDIDTESA-N 1 3 394.559 3.818 20 0 GHADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160704851 1035039895 /nfs/dbraw/zinc/03/98/95/1035039895.db2.gz PEJYJCWTCHTOER-SFTDATJTSA-N 1 3 375.516 3.538 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cc3ncccc3[nH]1)CC2 ZINC001232063380 1035072651 /nfs/dbraw/zinc/07/26/51/1035072651.db2.gz SPALRBCVOONUTJ-SFHVURJKSA-N 1 3 396.560 3.880 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cc3ncccc3[nH]1)CC2 ZINC001232063380 1035072661 /nfs/dbraw/zinc/07/26/61/1035072661.db2.gz SPALRBCVOONUTJ-SFHVURJKSA-N 1 3 396.560 3.880 20 0 GHADHO C[C@H]1CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943248 1035112895 /nfs/dbraw/zinc/11/28/95/1035112895.db2.gz SLOYVMRRHBYOAG-PZJWPPBQSA-N 1 3 387.568 3.840 20 0 GHADHO C[C@H]1CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943248 1035112899 /nfs/dbraw/zinc/11/28/99/1035112899.db2.gz SLOYVMRRHBYOAG-PZJWPPBQSA-N 1 3 387.568 3.840 20 0 GHADHO Fc1ccc(CN2CCC[N@H+](C[C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC001208951718 1035123613 /nfs/dbraw/zinc/12/36/13/1035123613.db2.gz FCHPDQJUTNHAQM-HSZRJFAPSA-N 1 3 381.539 3.856 20 0 GHADHO Fc1ccc(CN2CCC[N@@H+](C[C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC001208951718 1035123619 /nfs/dbraw/zinc/12/36/19/1035123619.db2.gz FCHPDQJUTNHAQM-HSZRJFAPSA-N 1 3 381.539 3.856 20 0 GHADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CCN2C[C@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC001208951774 1035124062 /nfs/dbraw/zinc/12/40/62/1035124062.db2.gz MYPQEWGSPZUXTI-OLKYXYMISA-N 1 3 386.580 3.803 20 0 GHADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CCN2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC001208951774 1035124072 /nfs/dbraw/zinc/12/40/72/1035124072.db2.gz MYPQEWGSPZUXTI-OLKYXYMISA-N 1 3 386.580 3.803 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c1 ZINC001232146394 1035123983 /nfs/dbraw/zinc/12/39/83/1035123983.db2.gz PGKMYKWXEMHVFI-FCHUYYIVSA-N 1 3 383.511 3.511 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c1 ZINC001232146394 1035123989 /nfs/dbraw/zinc/12/39/89/1035123989.db2.gz PGKMYKWXEMHVFI-FCHUYYIVSA-N 1 3 383.511 3.511 20 0 GHADHO CN(C[C@H]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952550 1035125941 /nfs/dbraw/zinc/12/59/41/1035125941.db2.gz KNIUDCFXPVBNMG-RTWAWAEBSA-N 1 3 387.568 3.697 20 0 GHADHO CN(C[C@H]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952550 1035125943 /nfs/dbraw/zinc/12/59/43/1035125943.db2.gz KNIUDCFXPVBNMG-RTWAWAEBSA-N 1 3 387.568 3.697 20 0 GHADHO CC(C)(C)OC(=O)NCCCC[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001209362424 1035254501 /nfs/dbraw/zinc/25/45/01/1035254501.db2.gz HEBWWKAIWFGUQB-UHFFFAOYSA-N 1 3 391.556 3.872 20 0 GHADHO C[NH+](C)CCCNC(=O)c1ccc(-c2ccc(CN3CCCC3)c(F)c2)cc1 ZINC001241784876 1035701941 /nfs/dbraw/zinc/70/19/41/1035701941.db2.gz RMYMYFZGOUDYQP-UHFFFAOYSA-N 1 3 383.511 3.770 20 0 GHADHO FC(F)Oc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1OC1CCC1 ZINC001242819620 1035967117 /nfs/dbraw/zinc/96/71/17/1035967117.db2.gz DLNKUUPRCHDAHX-UHFFFAOYSA-N 1 3 375.419 3.691 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(NC[C@@]2(F)CCCC[NH2+]C2)CC1 ZINC001246112719 1037198312 /nfs/dbraw/zinc/19/83/12/1037198312.db2.gz MHYOEXVLKAQFCG-VEDCXYSMSA-N 1 3 396.934 3.765 20 0 GHADHO Cc1ccc2c(c1)C1(C[C@H]2N[C@@H](C)CS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC001246167418 1037220127 /nfs/dbraw/zinc/22/01/27/1037220127.db2.gz DWXFFMDVUIKQCZ-PGRDOPGGSA-N 1 3 398.572 3.513 20 0 GHADHO Fc1cccc(CN2CCC([NH2+][C@@H]3CCN[C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246174894 1037224571 /nfs/dbraw/zinc/22/45/71/1037224571.db2.gz KDHMAJJEJWVXEB-RPWUZVMVSA-N 1 3 381.539 3.743 20 0 GHADHO CCOC(=O)Cc1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc1 ZINC001246190708 1037229883 /nfs/dbraw/zinc/22/98/83/1037229883.db2.gz MFJSVPNIQRQSPO-RBBKRZOGSA-N 1 3 384.495 3.823 20 0 GHADHO CCCC[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cc(OC)ccc3F)CC2)CCN1 ZINC001246358564 1037317239 /nfs/dbraw/zinc/31/72/39/1037317239.db2.gz GNQUWJBQGCGLOH-WOJBJXKFSA-N 1 3 377.548 3.699 20 0 GHADHO COc1ccc(CN2CC[C@H](N[C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360011 1037319342 /nfs/dbraw/zinc/31/93/42/1037319342.db2.gz DKNHDLLBTRXZFV-ZFGGDYGUSA-N 1 3 397.538 3.800 20 0 GHADHO CC(C)CCN1CCC([NH2+]C[C@@](C)(O)c2ccccc2Br)CC1 ZINC001462180800 1070060316 /nfs/dbraw/zinc/06/03/16/1070060316.db2.gz YYJAXEKYNGQCFM-LJQANCHMSA-N 1 3 383.374 3.757 20 0 GHADHO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2(Cc3ccc(F)cc3)CCNCC2)cc1 ZINC001246387085 1037348145 /nfs/dbraw/zinc/34/81/45/1037348145.db2.gz BEOWYXIVPMEGGU-GOSISDBHSA-N 1 3 398.522 3.888 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246391713 1037351925 /nfs/dbraw/zinc/35/19/25/1037351925.db2.gz NWTGVJIOXAQZON-HXUWFJFHSA-N 1 3 384.495 3.830 20 0 GHADHO CCn1c2ccccc2nc1N1CCC([NH2+][C@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246405274 1037361875 /nfs/dbraw/zinc/36/18/75/1037361875.db2.gz KHWVNEKKLKVIBU-RXVVDRJESA-N 1 3 383.584 3.781 20 0 GHADHO CCn1c2ccccc2nc1N1CCC[C@H](N[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246403912 1037362558 /nfs/dbraw/zinc/36/25/58/1037362558.db2.gz FNTCKVRQNRYDJR-WFXMLNOXSA-N 1 3 383.584 3.781 20 0 GHADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN[C@@H](Cc3ccccc3)C1)CCC2 ZINC001246408778 1037365212 /nfs/dbraw/zinc/36/52/12/1037365212.db2.gz DMSHGNMDDCOZNY-QNWVGRARSA-N 1 3 378.516 3.804 20 0 GHADHO CC[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CCN1 ZINC001246410663 1037366771 /nfs/dbraw/zinc/36/67/71/1037366771.db2.gz ITRYDJRHBKWOJR-RBUKOAKNSA-N 1 3 395.385 3.909 20 0 GHADHO CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CCN1 ZINC001246417235 1037373441 /nfs/dbraw/zinc/37/34/41/1037373441.db2.gz TUSIQFUEZAZMQR-MOPGFXCFSA-N 1 3 395.385 3.909 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H](NC2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246418974 1037375605 /nfs/dbraw/zinc/37/56/05/1037375605.db2.gz BQDNTUSUGBRBMY-MAUKXSAKSA-N 1 3 398.469 3.996 20 0 GHADHO CN[C@H]1C[C@H]([NH2+]C2CCC(OCOC)(c3ccc(Br)cc3)CC2)C1 ZINC001246462422 1037418311 /nfs/dbraw/zinc/41/83/11/1037418311.db2.gz RNWYZGYZTAPNKJ-LFYFRBEQSA-N 1 3 397.357 3.548 20 0 GHADHO COc1cc(NC(=O)C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)cc2ccccc21 ZINC001246487274 1037433064 /nfs/dbraw/zinc/43/30/64/1037433064.db2.gz KVYRGGOSMKETSR-DENIHFKCSA-N 1 3 389.499 3.870 20 0 GHADHO Brc1ccc(N2CCC([N@@H+]3CCC[C@@]34CCCNC4)CC2)cc1 ZINC001246611551 1037501532 /nfs/dbraw/zinc/50/15/32/1037501532.db2.gz UKVHULPNBSVUQO-LJQANCHMSA-N 1 3 378.358 3.636 20 0 GHADHO Brc1ccc(N2CCC([N@H+]3CCC[C@@]34CCCNC4)CC2)cc1 ZINC001246611551 1037501556 /nfs/dbraw/zinc/50/15/56/1037501556.db2.gz UKVHULPNBSVUQO-LJQANCHMSA-N 1 3 378.358 3.636 20 0 GHADHO c1ccc(COc2ccc3c(c2)C[C@@H](N2CCOC4(CC[NH2+]CC4)C2)CC3)cc1 ZINC001246608064 1037502160 /nfs/dbraw/zinc/50/21/60/1037502160.db2.gz VRPHUJVCEGXEDA-QHCPKHFHSA-N 1 3 392.543 3.577 20 0 GHADHO C[C@H](Cc1cccnc1)[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617715 1037506814 /nfs/dbraw/zinc/50/68/14/1037506814.db2.gz FWSMRRCHMCQMGI-NFBKMPQASA-N 1 3 379.548 3.816 20 0 GHADHO C[C@H](Cc1cccnc1)[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246617715 1037506845 /nfs/dbraw/zinc/50/68/45/1037506845.db2.gz FWSMRRCHMCQMGI-NFBKMPQASA-N 1 3 379.548 3.816 20 0 GHADHO C[C@H](Cc1cccnc1)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617715 1037506862 /nfs/dbraw/zinc/50/68/62/1037506862.db2.gz FWSMRRCHMCQMGI-NFBKMPQASA-N 1 3 379.548 3.816 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001246631439 1037518971 /nfs/dbraw/zinc/51/89/71/1037518971.db2.gz OZWSNOLXWMNJSA-LJQANCHMSA-N 1 3 398.497 3.968 20 0 GHADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001246631439 1037519006 /nfs/dbraw/zinc/51/90/06/1037519006.db2.gz OZWSNOLXWMNJSA-LJQANCHMSA-N 1 3 398.497 3.968 20 0 GHADHO CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246674105 1037540429 /nfs/dbraw/zinc/54/04/29/1037540429.db2.gz NLHYVSUKGSKSPI-LMCOJAPRSA-N 1 3 382.527 3.574 20 0 GHADHO CC(C)[C@@H]1C[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246674105 1037540437 /nfs/dbraw/zinc/54/04/37/1037540437.db2.gz NLHYVSUKGSKSPI-LMCOJAPRSA-N 1 3 382.527 3.574 20 0 GHADHO CCOC(=O)C1(C)CCC([N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246684655 1037548494 /nfs/dbraw/zinc/54/84/94/1037548494.db2.gz MTQGPVJCWQJURY-UHIMYIODSA-N 1 3 384.564 3.752 20 0 GHADHO CCOC(=O)C1(C)CCC([N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246684655 1037548502 /nfs/dbraw/zinc/54/85/02/1037548502.db2.gz MTQGPVJCWQJURY-UHIMYIODSA-N 1 3 384.564 3.752 20 0 GHADHO C[C@@H]1C[C@H](N2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC001246699657 1037554717 /nfs/dbraw/zinc/55/47/17/1037554717.db2.gz YCZFUKNZTTXZMW-YLJYHZDGSA-N 1 3 389.547 3.955 20 0 GHADHO C[C@@H]1C[C@H]([NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)CCN1 ZINC001246699657 1037554732 /nfs/dbraw/zinc/55/47/32/1037554732.db2.gz YCZFUKNZTTXZMW-YLJYHZDGSA-N 1 3 389.547 3.955 20 0 GHADHO O=C1N(Cc2ccccc2)c2ccccc2C12CCN([C@H]1CCC[NH2+]CC1)CC2 ZINC001246709774 1037560459 /nfs/dbraw/zinc/56/04/59/1037560459.db2.gz JOWZIKOLMGBVFN-NRFANRHFSA-N 1 3 389.543 3.709 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1 ZINC001246809049 1037642321 /nfs/dbraw/zinc/64/23/21/1037642321.db2.gz ZWBZUAMGAJMIBF-ISXFXILCSA-N 1 3 393.550 3.991 20 0 GHADHO N[C@@H]1CN(C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@@H]1F ZINC001246818348 1037649827 /nfs/dbraw/zinc/64/98/27/1037649827.db2.gz BRDXGXBURTXXBP-STTLMXHVSA-N 1 3 381.539 3.981 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CCN2)cc1 ZINC001246957586 1037770679 /nfs/dbraw/zinc/77/06/79/1037770679.db2.gz BRZAPYGSNXIYJA-LIONHTAISA-N 1 3 375.560 3.556 20 0 GHADHO c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CCN2)cc1 ZINC001246957586 1037770703 /nfs/dbraw/zinc/77/07/03/1037770703.db2.gz BRZAPYGSNXIYJA-LIONHTAISA-N 1 3 375.560 3.556 20 0 GHADHO COC(=O)c1cccc(CN([C@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001246959957 1037776511 /nfs/dbraw/zinc/77/65/11/1037776511.db2.gz UWHWBVRWHVGSQI-QGZVFWFLSA-N 1 3 384.495 3.798 20 0 GHADHO COC(=O)c1cccc(C[N@H+](C2CCNCC2)[C@@H]2CCc3ccc(C)cc3C2)c1 ZINC001246959746 1037776622 /nfs/dbraw/zinc/77/66/22/1037776622.db2.gz SGSSKBJFLYWEJX-XMMPIXPASA-N 1 3 392.543 3.893 20 0 GHADHO COC(=O)c1cccc(C[N@@H+](C2CCNCC2)[C@@H]2CCc3ccc(C)cc3C2)c1 ZINC001246959746 1037776643 /nfs/dbraw/zinc/77/66/43/1037776643.db2.gz SGSSKBJFLYWEJX-XMMPIXPASA-N 1 3 392.543 3.893 20 0 GHADHO COc1ccc2c(c1)C[C@H](N(Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1)C2 ZINC001246960793 1037779752 /nfs/dbraw/zinc/77/97/52/1037779752.db2.gz ODEDGFDRBIBXFS-HXUWFJFHSA-N 1 3 384.495 3.564 20 0 GHADHO CC(C)(O)c1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232834515 1038587613 /nfs/dbraw/zinc/58/76/13/1038587613.db2.gz VPXBCKZOWKNJJX-YADHBBJMSA-N 1 3 379.548 3.653 20 0 GHADHO CC(C)(O)c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232834515 1038587618 /nfs/dbraw/zinc/58/76/18/1038587618.db2.gz VPXBCKZOWKNJJX-YADHBBJMSA-N 1 3 379.548 3.653 20 0 GHADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252761893 1039151237 /nfs/dbraw/zinc/15/12/37/1039151237.db2.gz XLCRXLLYJMIRQS-GMAHTHKFSA-N 1 3 396.575 3.836 20 0 GHADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252761893 1039151259 /nfs/dbraw/zinc/15/12/59/1039151259.db2.gz XLCRXLLYJMIRQS-GMAHTHKFSA-N 1 3 396.575 3.836 20 0 GHADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252761892 1039151667 /nfs/dbraw/zinc/15/16/67/1039151667.db2.gz XLCRXLLYJMIRQS-GGAORHGYSA-N 1 3 396.575 3.836 20 0 GHADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252761892 1039151700 /nfs/dbraw/zinc/15/17/00/1039151700.db2.gz XLCRXLLYJMIRQS-GGAORHGYSA-N 1 3 396.575 3.836 20 0 GHADHO CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(OC)c([O-])c1Cl ZINC001233400984 1039240426 /nfs/dbraw/zinc/24/04/26/1039240426.db2.gz HPVVYTAOYDKDRP-UHFFFAOYSA-N 1 3 385.980 3.540 20 0 GHADHO O[C@@]1(CN[C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948018 1039291256 /nfs/dbraw/zinc/29/12/56/1039291256.db2.gz IFNUOMCLYLDLIH-DNQXCXABSA-N 1 3 398.522 3.520 20 0 GHADHO O[C@@]1(CN[C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948018 1039291265 /nfs/dbraw/zinc/29/12/65/1039291265.db2.gz IFNUOMCLYLDLIH-DNQXCXABSA-N 1 3 398.522 3.520 20 0 GHADHO COC(=O)c1ccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc1OC ZINC001233518020 1039405263 /nfs/dbraw/zinc/40/52/63/1039405263.db2.gz LILJRUCODZWBSO-UHFFFAOYSA-N 1 3 398.503 3.563 20 0 GHADHO COC(=O)c1ccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1OC ZINC001233518020 1039405271 /nfs/dbraw/zinc/40/52/71/1039405271.db2.gz LILJRUCODZWBSO-UHFFFAOYSA-N 1 3 398.503 3.563 20 0 GHADHO C[C@@](O)(CNC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC001253118232 1039435729 /nfs/dbraw/zinc/43/57/29/1039435729.db2.gz KPGKUQIKIWXXRT-XMMPIXPASA-N 1 3 377.532 3.672 20 0 GHADHO OC1(C[NH2+]Cc2ccc(-c3ccccn3)cc2)CCN(Cc2ccccc2)CC1 ZINC001254050103 1039975472 /nfs/dbraw/zinc/97/54/72/1039975472.db2.gz GGMTVNWQVXOFQC-UHFFFAOYSA-N 1 3 387.527 3.865 20 0 GHADHO CN1CCC[C@@H]([NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)CC1 ZINC001254518170 1040292494 /nfs/dbraw/zinc/29/24/94/1040292494.db2.gz LAHZHEPDHCVFTB-GOSISDBHSA-N 1 3 375.582 3.551 20 0 GHADHO CN1CCC[C@H]([NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)CC1 ZINC001254518176 1040293707 /nfs/dbraw/zinc/29/37/07/1040293707.db2.gz LAHZHEPDHCVFTB-SFHVURJKSA-N 1 3 375.582 3.551 20 0 GHADHO c1ccc2c(c1)C[NH2+]CC21CCN(Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001235086148 1040574619 /nfs/dbraw/zinc/57/46/19/1040574619.db2.gz IBXTUXHPPPNAMK-UHFFFAOYSA-N 1 3 376.548 3.709 20 0 GHADHO Cc1nc(Br)ccc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235089970 1040578107 /nfs/dbraw/zinc/57/81/07/1040578107.db2.gz HPMRYWFPTGFJPR-UHFFFAOYSA-N 1 3 386.337 3.790 20 0 GHADHO Oc1ccc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)c(OC(F)(F)F)c1 ZINC001235091515 1040580009 /nfs/dbraw/zinc/58/00/09/1040580009.db2.gz QLZDPBSUIVOYTJ-UHFFFAOYSA-N 1 3 392.421 3.928 20 0 GHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895435 1040649788 /nfs/dbraw/zinc/64/97/88/1040649788.db2.gz VCVUQVKCWLQTDB-PBASOCQRSA-N 1 3 387.568 3.729 20 0 GHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895435 1040649800 /nfs/dbraw/zinc/64/98/00/1040649800.db2.gz VCVUQVKCWLQTDB-PBASOCQRSA-N 1 3 387.568 3.729 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001235166225 1040657369 /nfs/dbraw/zinc/65/73/69/1040657369.db2.gz PEEWLCHDQIMPQX-IRLDBZIGSA-N 1 3 386.584 3.605 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001235166225 1040657376 /nfs/dbraw/zinc/65/73/76/1040657376.db2.gz PEEWLCHDQIMPQX-IRLDBZIGSA-N 1 3 386.584 3.605 20 0 GHADHO Cn1cc(-c2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)ccn2)cn1 ZINC001255128024 1040821044 /nfs/dbraw/zinc/82/10/44/1040821044.db2.gz ITGJOGZBLMWDDK-WBDAEOGXSA-N 1 3 387.531 3.767 20 0 GHADHO C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136434 1040838576 /nfs/dbraw/zinc/83/85/76/1040838576.db2.gz LBQBPHYPBHPYOG-LGKHCZOZSA-N 1 3 382.470 3.817 20 0 GHADHO C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136434 1040838584 /nfs/dbraw/zinc/83/85/84/1040838584.db2.gz LBQBPHYPBHPYOG-LGKHCZOZSA-N 1 3 382.470 3.817 20 0 GHADHO O=C(C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1)N1CCCCC1 ZINC001255145950 1040859330 /nfs/dbraw/zinc/85/93/30/1040859330.db2.gz XYAVIUDBKFDJAF-UBRQYEGLSA-N 1 3 395.591 3.907 20 0 GHADHO O=C(C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)N1CCCCC1 ZINC001255145950 1040859342 /nfs/dbraw/zinc/85/93/42/1040859342.db2.gz XYAVIUDBKFDJAF-UBRQYEGLSA-N 1 3 395.591 3.907 20 0 GHADHO Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)n1 ZINC001255149738 1040868725 /nfs/dbraw/zinc/86/87/25/1040868725.db2.gz MZZGCWJEDFJWNH-KAOXLYBCSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)n1 ZINC001255149738 1040868735 /nfs/dbraw/zinc/86/87/35/1040868735.db2.gz MZZGCWJEDFJWNH-KAOXLYBCSA-N 1 3 392.547 3.824 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235372804 1040880490 /nfs/dbraw/zinc/88/04/90/1040880490.db2.gz VDWHDJGIZWESQI-VWNXMTODSA-N 1 3 381.539 3.641 20 0 GHADHO Cc1ccc(I)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235433052 1040934195 /nfs/dbraw/zinc/93/41/95/1040934195.db2.gz WSZOSOWINGPWNG-HZPDHXFCSA-N 1 3 398.332 3.811 20 0 GHADHO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001255376967 1040969189 /nfs/dbraw/zinc/96/91/89/1040969189.db2.gz DFWOZYQXUYMLAM-NQIIRXRSSA-N 1 3 386.561 3.795 20 0 GHADHO c1ccc(CN2CCC[C@H]([NH2+]Cc3ccccc3CN3CCOCC3)CC2)cc1 ZINC001255381984 1040972788 /nfs/dbraw/zinc/97/27/88/1040972788.db2.gz AUCPJYJJGYINMH-VWLOTQADSA-N 1 3 393.575 3.663 20 0 GHADHO COC(=O)C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389665 1040978804 /nfs/dbraw/zinc/97/88/04/1040978804.db2.gz PDLGQKMDRVFPSF-RBBKRZOGSA-N 1 3 382.504 3.641 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCN([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255400160 1040986694 /nfs/dbraw/zinc/98/66/94/1040986694.db2.gz GSFGFZRMAVTSPZ-NRFANRHFSA-N 1 3 399.579 3.984 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(C1)CCN([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255400160 1040986695 /nfs/dbraw/zinc/98/66/95/1040986695.db2.gz GSFGFZRMAVTSPZ-NRFANRHFSA-N 1 3 399.579 3.984 20 0 GHADHO CC(=O)N1CCCCC12CCN([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255405862 1040992937 /nfs/dbraw/zinc/99/29/37/1040992937.db2.gz ZKLBIHQHQQYJGX-HSZRJFAPSA-N 1 3 383.580 3.908 20 0 GHADHO CC(=O)N1CCCCC12CCN([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255405862 1040992944 /nfs/dbraw/zinc/99/29/44/1040992944.db2.gz ZKLBIHQHQQYJGX-HSZRJFAPSA-N 1 3 383.580 3.908 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001462516627 1070320096 /nfs/dbraw/zinc/32/00/96/1070320096.db2.gz DIJUUFASKCPNTG-WLXPTCNVSA-N 1 3 385.596 3.664 20 0 GHADHO CCOC(=O)c1[nH]c2cc(C)ccc2c1CN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702002 1041181719 /nfs/dbraw/zinc/18/17/19/1041181719.db2.gz GFTXUOZROIZJPD-UHFFFAOYSA-N 1 3 383.536 3.865 20 0 GHADHO Brc1ccc(N2CC[NH2+]CC2)c(CN2CCC3(CCCC3)C2)c1 ZINC001235725189 1041211593 /nfs/dbraw/zinc/21/15/93/1041211593.db2.gz IPIXSOMZEJVEPA-UHFFFAOYSA-N 1 3 378.358 3.625 20 0 GHADHO C[C@@H]1CN(Cc2ccc(C[N@H+](C)Cc3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC001462527780 1070330826 /nfs/dbraw/zinc/33/08/26/1070330826.db2.gz MZJKHGLKFNTSGP-KDURUIRLSA-N 1 3 390.531 3.871 20 0 GHADHO C[C@@H]1CN(Cc2ccc(C[N@@H+](C)Cc3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC001462527780 1070330846 /nfs/dbraw/zinc/33/08/46/1070330846.db2.gz MZJKHGLKFNTSGP-KDURUIRLSA-N 1 3 390.531 3.871 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)Cc3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC001462527780 1070330862 /nfs/dbraw/zinc/33/08/62/1070330862.db2.gz MZJKHGLKFNTSGP-KDURUIRLSA-N 1 3 390.531 3.871 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccc(CN(C)Cc3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC001462527780 1070330881 /nfs/dbraw/zinc/33/08/81/1070330881.db2.gz MZJKHGLKFNTSGP-KDURUIRLSA-N 1 3 390.531 3.871 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001255947902 1041431609 /nfs/dbraw/zinc/43/16/09/1041431609.db2.gz YOXNGHRDXRZOHT-RTBURBONSA-N 1 3 397.604 3.645 20 0 GHADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](N2Cc3cc(F)ccc3C2=O)CC1 ZINC001255951785 1041432474 /nfs/dbraw/zinc/43/24/74/1041432474.db2.gz AVXWERPEZOWRQT-VDGAXYAQSA-N 1 3 375.532 3.803 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(CCOC)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255953636 1041433716 /nfs/dbraw/zinc/43/37/16/1041433716.db2.gz MFKBWORSGODNJI-LJQANCHMSA-N 1 3 399.620 3.750 20 0 GHADHO Clc1ccc([C@H]2CCN(Cc3cnc4cc(C5CC[NH2+]CC5)nn4c3)C2)cc1 ZINC001235947369 1041453572 /nfs/dbraw/zinc/45/35/72/1041453572.db2.gz IWRHVNZDRIGAGH-IBGZPJMESA-N 1 3 395.938 3.839 20 0 GHADHO [NH3+]CC1CN([C@H]2CCCN(Cc3ccc(-c4ccccc4C(F)(F)F)o3)C2)C1 ZINC001236077811 1041524542 /nfs/dbraw/zinc/52/45/42/1041524542.db2.gz DBAXWJWNAFUTHV-INIZCTEOSA-N 1 3 393.453 3.820 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C2)c1 ZINC001236155114 1041578804 /nfs/dbraw/zinc/57/88/04/1041578804.db2.gz XCPIZSCGLKIMTH-OAQYLSRUSA-N 1 3 395.639 3.754 20 0 GHADHO Cc1cc(OC2CC[NH2+]CC2)nc(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236231498 1041635092 /nfs/dbraw/zinc/63/50/92/1041635092.db2.gz IVQGVBZMBGFFDW-UHFFFAOYSA-N 1 3 384.499 3.708 20 0 GHADHO FC(F)(F)c1ccc([C@H]2CCCN2Cc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001236303221 1041666280 /nfs/dbraw/zinc/66/62/80/1041666280.db2.gz MYSSUJAAQKJWME-LJQANCHMSA-N 1 3 390.453 3.847 20 0 GHADHO CCOC(=O)N1CCC(N2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256247648 1041673460 /nfs/dbraw/zinc/67/34/60/1041673460.db2.gz YJJHVFHRCSXHDK-HSZRJFAPSA-N 1 3 385.552 3.595 20 0 GHADHO CCOC(=O)N1CCC(N2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256247648 1041673465 /nfs/dbraw/zinc/67/34/65/1041673465.db2.gz YJJHVFHRCSXHDK-HSZRJFAPSA-N 1 3 385.552 3.595 20 0 GHADHO CN(C)Cc1cc(F)cc(CN(Cc2c(F)cccc2F)C2CC[NH2+]CC2)c1 ZINC001236513001 1041747555 /nfs/dbraw/zinc/74/75/55/1041747555.db2.gz KXLQUPCNYPWJJY-UHFFFAOYSA-N 1 3 391.481 3.920 20 0 GHADHO COC(=O)[C@H]1CC[C@H](C[N@H+](Cc2ccc(F)cc2C)C2CCNCC2)CC1 ZINC001236517589 1041750507 /nfs/dbraw/zinc/75/05/07/1041750507.db2.gz LOLWXMMFGTXAPJ-IYARVYRRSA-N 1 3 376.516 3.668 20 0 GHADHO COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)CC1 ZINC001236517589 1041750514 /nfs/dbraw/zinc/75/05/14/1041750514.db2.gz LOLWXMMFGTXAPJ-IYARVYRRSA-N 1 3 376.516 3.668 20 0 GHADHO COc1ccc(CN(Cc2c(OC)cccc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543416 1041757623 /nfs/dbraw/zinc/75/76/23/1041757623.db2.gz RGZQAKAPYNKPSE-WGSAOQKQSA-N 1 3 384.520 3.985 20 0 GHADHO COc1ccccc1CN(Cc1cnc2ccc(C)cn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702043 1041841829 /nfs/dbraw/zinc/84/18/29/1041841829.db2.gz WYKVYFSNAJOBEV-MXVIHJGJSA-N 1 3 378.520 3.923 20 0 GHADHO COc1cc(CN(Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc2c1OCO2 ZINC001236701978 1041841884 /nfs/dbraw/zinc/84/18/84/1041841884.db2.gz UXKOODQUOWNDKR-WGSAOQKQSA-N 1 3 398.503 3.705 20 0 GHADHO CN1CCC([N@H+](CC(c2ccccc2)c2ccccc2)C2CCNCC2)CC1 ZINC001237037037 1041998189 /nfs/dbraw/zinc/99/81/89/1041998189.db2.gz FHAUHGGQQAQNFH-UHFFFAOYSA-N 1 3 377.576 3.967 20 0 GHADHO CN1CCC([N@@H+](CC(c2ccccc2)c2ccccc2)C2CCNCC2)CC1 ZINC001237037037 1041998194 /nfs/dbraw/zinc/99/81/94/1041998194.db2.gz FHAUHGGQQAQNFH-UHFFFAOYSA-N 1 3 377.576 3.967 20 0 GHADHO CN(Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1cccc(OC(F)(F)F)c1 ZINC001237043770 1042004508 /nfs/dbraw/zinc/00/45/08/1042004508.db2.gz TWHSCXPFDLTMGL-UHFFFAOYSA-N 1 3 393.453 3.622 20 0 GHADHO CN(C)C(=O)C1CCN(C2CC[NH+](Cc3ccc4cccccc3-4)CC2)CC1 ZINC001237183419 1042082889 /nfs/dbraw/zinc/08/28/89/1042082889.db2.gz OGKFYIBIVIOYJZ-UHFFFAOYSA-N 1 3 379.548 3.556 20 0 GHADHO CCOC(=O)c1[nH]c2cc(C)ccc2c1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001237317050 1042144314 /nfs/dbraw/zinc/14/43/14/1042144314.db2.gz UUEKHTMSFGSXKE-UHFFFAOYSA-N 1 3 383.536 3.961 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@H+]3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)cc21 ZINC001237878327 1042406274 /nfs/dbraw/zinc/40/62/74/1042406274.db2.gz PUSOASSLUKBINF-BGYRXZFFSA-N 1 3 394.588 3.708 20 0 GHADHO CC(C)C1=NCCc2ccc(C[N@@H+]3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)cc21 ZINC001237878327 1042406275 /nfs/dbraw/zinc/40/62/75/1042406275.db2.gz PUSOASSLUKBINF-BGYRXZFFSA-N 1 3 394.588 3.708 20 0 GHADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(CC3=CSC(=C4SC=CS4)S3)[C@@H]2C1 ZINC001278222549 1042568089 /nfs/dbraw/zinc/56/80/89/1042568089.db2.gz ORNFARMWIMRMSD-DZGCQCFKSA-N 1 3 399.676 3.953 20 0 GHADHO CN(C)CC[N@H+]1C[C@@H]2CCN(CC3=CSC(=C4SC=CS4)S3)[C@@H]2C1 ZINC001278222549 1042568095 /nfs/dbraw/zinc/56/80/95/1042568095.db2.gz ORNFARMWIMRMSD-DZGCQCFKSA-N 1 3 399.676 3.953 20 0 GHADHO CC(C)(C)OC(=O)N1CCC(OCCC[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256554852 1043523098 /nfs/dbraw/zinc/52/30/98/1043523098.db2.gz NENJLMCSDNTJDE-UHFFFAOYSA-N 1 3 397.604 3.645 20 0 GHADHO CNC(=O)C[C@@H]1CC2(CCN(C3CC[NH+](C(C)(C)C)CC3)CC2)c2ccccc21 ZINC001256571853 1043545415 /nfs/dbraw/zinc/54/54/15/1043545415.db2.gz MBWSCPOPHMCQEN-LJQANCHMSA-N 1 3 397.607 3.907 20 0 GHADHO c1ccc(CN2CCC([NH2+]CC3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC001256600310 1043564163 /nfs/dbraw/zinc/56/41/63/1043564163.db2.gz BQDYOXKUGOOLSM-UHFFFAOYSA-N 1 3 378.564 3.548 20 0 GHADHO Clc1ccccc1[C@@H](C[NH2+]C1CCC(N2CCOCC2)CC1)N1CCCC1 ZINC001256677276 1043616958 /nfs/dbraw/zinc/61/69/58/1043616958.db2.gz AOMLZJXEUQIBJM-OBFZPWGMSA-N 1 3 391.987 3.710 20 0 GHADHO FC1(F)CCC(Cc2ccccn2)([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256680786 1043617986 /nfs/dbraw/zinc/61/79/86/1043617986.db2.gz CWAORJZPPYWSCC-UHFFFAOYSA-N 1 3 393.522 3.805 20 0 GHADHO C[C@H](Cc1ccncc1)[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001256744807 1043645630 /nfs/dbraw/zinc/64/56/30/1043645630.db2.gz ZFDYJWFAMNRSPF-NFBKMPQASA-N 1 3 379.548 3.768 20 0 GHADHO CC(C)N1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001292741536 1043856159 /nfs/dbraw/zinc/85/61/59/1043856159.db2.gz FZLOHVQDVIDYIQ-BJKOFHAPSA-N 1 3 397.607 3.868 20 0 GHADHO CC(C)N1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001292741536 1043856176 /nfs/dbraw/zinc/85/61/76/1043856176.db2.gz FZLOHVQDVIDYIQ-BJKOFHAPSA-N 1 3 397.607 3.868 20 0 GHADHO CC(C)[NH+]1CCC(N2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257214496 1043938574 /nfs/dbraw/zinc/93/85/74/1043938574.db2.gz FYKJBFBHYZTHDG-JOCHJYFZSA-N 1 3 379.589 3.972 20 0 GHADHO CSc1ccc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)s1 ZINC001279077388 1044418014 /nfs/dbraw/zinc/41/80/14/1044418014.db2.gz QUCQAHWKUYRBLN-UHFFFAOYSA-N 1 3 376.595 3.655 20 0 GHADHO CSc1ccc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)s1 ZINC001279077388 1044418016 /nfs/dbraw/zinc/41/80/16/1044418016.db2.gz QUCQAHWKUYRBLN-UHFFFAOYSA-N 1 3 376.595 3.655 20 0 GHADHO CCC[C@H](Cc1ccccc1)N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001258656871 1044696354 /nfs/dbraw/zinc/69/63/54/1044696354.db2.gz STYAIXCFRWNFQO-JOCHJYFZSA-N 1 3 396.579 3.701 20 0 GHADHO CCC[C@H](Cc1ccccc1)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001258656871 1044696355 /nfs/dbraw/zinc/69/63/55/1044696355.db2.gz STYAIXCFRWNFQO-JOCHJYFZSA-N 1 3 396.579 3.701 20 0 GHADHO COc1cc(C[C@H](C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc(OC)c1OC ZINC001258860289 1044799085 /nfs/dbraw/zinc/79/90/85/1044799085.db2.gz NTENUMQQAZWEDM-HNNXBMFYSA-N 1 3 378.557 3.884 20 0 GHADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)c2)CC1 ZINC001296726144 1045363626 /nfs/dbraw/zinc/36/36/26/1045363626.db2.gz YVHZEVDKFPQSPT-JOCHJYFZSA-N 1 3 384.568 3.564 20 0 GHADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)c2)CC1 ZINC001296726144 1045363630 /nfs/dbraw/zinc/36/36/30/1045363630.db2.gz YVHZEVDKFPQSPT-JOCHJYFZSA-N 1 3 384.568 3.564 20 0 GHADHO CSc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4scnc4C)CC[C@@H]3C2)cn1 ZINC001279584618 1047856333 /nfs/dbraw/zinc/85/63/33/1047856333.db2.gz FXFATLLRGREMKY-HDICACEKSA-N 1 3 388.606 3.912 20 0 GHADHO CSc1ccc(CN2C[C@@H]3CC[N@H+](Cc4scnc4C)CC[C@@H]3C2)cn1 ZINC001279584618 1047856337 /nfs/dbraw/zinc/85/63/37/1047856337.db2.gz FXFATLLRGREMKY-HDICACEKSA-N 1 3 388.606 3.912 20 0 GHADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ccsc4Cl)C[C@H]3CC2)[nH]1 ZINC001279693237 1047918655 /nfs/dbraw/zinc/91/86/55/1047918655.db2.gz VQVLBOQSJKTVOR-GASCZTMLSA-N 1 3 377.941 3.846 20 0 GHADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4ccsc4Cl)C[C@H]3CC2)[nH]1 ZINC001279693237 1047918659 /nfs/dbraw/zinc/91/86/59/1047918659.db2.gz VQVLBOQSJKTVOR-GASCZTMLSA-N 1 3 377.941 3.846 20 0 GHADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC001307591078 1049428553 /nfs/dbraw/zinc/42/85/53/1049428553.db2.gz FDYRQZIQKDAISL-KRWDZBQOSA-N 1 3 380.529 3.506 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC001307591078 1049428559 /nfs/dbraw/zinc/42/85/59/1049428559.db2.gz FDYRQZIQKDAISL-KRWDZBQOSA-N 1 3 380.529 3.506 20 0 GHADHO COC(=O)C[C@H]1CCCN1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597731 1049436449 /nfs/dbraw/zinc/43/64/49/1049436449.db2.gz KFMLCNISAROEHY-DHIUTWEWSA-N 1 3 380.532 3.930 20 0 GHADHO COC(=O)C[C@H]1CCCN1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597731 1049436458 /nfs/dbraw/zinc/43/64/58/1049436458.db2.gz KFMLCNISAROEHY-DHIUTWEWSA-N 1 3 380.532 3.930 20 0 GHADHO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC001307626063 1049458735 /nfs/dbraw/zinc/45/87/35/1049458735.db2.gz VFLHCVVQBYNOFF-MRXNPFEDSA-N 1 3 385.939 3.868 20 0 GHADHO CCC(C)(C)[NH+]1CCN(CCCN2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001307886757 1049666928 /nfs/dbraw/zinc/66/69/28/1049666928.db2.gz NJLKAZLCLZLZKU-UHFFFAOYSA-N 1 3 393.019 3.658 20 0 GHADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Br)c(Br)c3)[C@@H]2C1 ZINC001308555767 1050007694 /nfs/dbraw/zinc/00/76/94/1050007694.db2.gz XPVLRXXJWMMYBA-ZOWXZIJZSA-N 1 3 388.147 3.641 20 0 GHADHO C[C@H](N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001308682412 1050058623 /nfs/dbraw/zinc/05/86/23/1050058623.db2.gz UFPMIHAXCKIFEW-SESVDKBCSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@H](N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001308682412 1050058630 /nfs/dbraw/zinc/05/86/30/1050058630.db2.gz UFPMIHAXCKIFEW-SESVDKBCSA-N 1 3 385.552 3.640 20 0 GHADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001308682412 1050058635 /nfs/dbraw/zinc/05/86/35/1050058635.db2.gz UFPMIHAXCKIFEW-SESVDKBCSA-N 1 3 385.552 3.640 20 0 GHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C[C@H]1C(F)(F)F ZINC001308686156 1050059660 /nfs/dbraw/zinc/05/96/60/1050059660.db2.gz YSZSVAXYIWFXQR-YYIAUSFCSA-N 1 3 378.479 3.751 20 0 GHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(n4cc(Br)cn4)CC3)CC2)C1 ZINC001308930552 1050187032 /nfs/dbraw/zinc/18/70/32/1050187032.db2.gz DKHANIMSOSAPPR-YJBOKZPZSA-N 1 3 395.389 3.767 20 0 GHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001311568958 1052252009 /nfs/dbraw/zinc/25/20/09/1052252009.db2.gz IEAXGPNVRJWOPF-VXKWHMMOSA-N 1 3 388.600 3.806 20 0 GHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001311568958 1052252018 /nfs/dbraw/zinc/25/20/18/1052252018.db2.gz IEAXGPNVRJWOPF-VXKWHMMOSA-N 1 3 388.600 3.806 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC001311744905 1052369638 /nfs/dbraw/zinc/36/96/38/1052369638.db2.gz JVXVLIFLOAOXTI-QKDPSFTKSA-N 1 3 386.584 3.694 20 0 GHADHO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H](c1ccccc1)N(C)C ZINC001312662702 1052830179 /nfs/dbraw/zinc/83/01/79/1052830179.db2.gz XMKRTSKZNHMFBJ-BWAGFHJFSA-N 1 3 386.584 3.774 20 0 GHADHO C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H](c1ccccc1)N(C)C ZINC001312662702 1052830181 /nfs/dbraw/zinc/83/01/81/1052830181.db2.gz XMKRTSKZNHMFBJ-BWAGFHJFSA-N 1 3 386.584 3.774 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001313038507 1052940432 /nfs/dbraw/zinc/94/04/32/1052940432.db2.gz ZDNQZFTWAJHVFO-FQEVSTJZSA-N 1 3 378.605 3.547 20 0 GHADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001313038507 1052940434 /nfs/dbraw/zinc/94/04/34/1052940434.db2.gz ZDNQZFTWAJHVFO-FQEVSTJZSA-N 1 3 378.605 3.547 20 0 GHADHO COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1OC ZINC001319762411 1055450148 /nfs/dbraw/zinc/45/01/48/1055450148.db2.gz GCAYXAZVTNZZKG-LJQANCHMSA-N 1 3 397.563 3.610 20 0 GHADHO C[NH+](C)CC[C@H](NC1CCC(CNC(=O)OC(C)(C)C)CC1)c1cccnc1 ZINC001353932961 1056145731 /nfs/dbraw/zinc/14/57/31/1056145731.db2.gz PKXXRVNMIBGHPF-UUKMXZOPSA-N 1 3 390.572 3.748 20 0 GHADHO COC(=O)/C=C\c1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000848888704 1057397627 /nfs/dbraw/zinc/39/76/27/1057397627.db2.gz AOLDWCRYZQGUGN-KTKRTIGZSA-N 1 3 394.515 3.954 20 0 GHADHO COC(=O)/C=C\c1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000848888704 1057397635 /nfs/dbraw/zinc/39/76/35/1057397635.db2.gz AOLDWCRYZQGUGN-KTKRTIGZSA-N 1 3 394.515 3.954 20 0 GHADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Oc2cc(C)ccc2C)nc1 ZINC000849060489 1057571934 /nfs/dbraw/zinc/57/19/34/1057571934.db2.gz AYKJYRDKEKCHEB-LJQANCHMSA-N 1 3 381.524 3.589 20 0 GHADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000849062139 1057573418 /nfs/dbraw/zinc/57/34/18/1057573418.db2.gz OYJZWEPKEKTUDA-HXUWFJFHSA-N 1 3 384.499 3.503 20 0 GHADHO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849091429 1057590822 /nfs/dbraw/zinc/59/08/22/1057590822.db2.gz FXOHRELJEWURDP-CTNGQTDRSA-N 1 3 386.584 3.606 20 0 GHADHO [NH2+]=C(NC[C@H]1CCC2(CCCCC2)O1)NC1CCN(Cc2ccccc2)CC1 ZINC000849093071 1057591740 /nfs/dbraw/zinc/59/17/40/1057591740.db2.gz PQJXIQRNNWHYNS-OAQYLSRUSA-N 1 3 384.568 3.647 20 0 GHADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001441245051 1058737094 /nfs/dbraw/zinc/73/70/94/1058737094.db2.gz UPIRDZJSUWCUSM-YADHBBJMSA-N 1 3 383.580 3.594 20 0 GHADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001441245051 1058737113 /nfs/dbraw/zinc/73/71/13/1058737113.db2.gz UPIRDZJSUWCUSM-YADHBBJMSA-N 1 3 383.580 3.594 20 0 GHADHO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001346018236 1061293997 /nfs/dbraw/zinc/29/39/97/1061293997.db2.gz SSGKZYHHCJPBQG-FQEVSTJZSA-N 1 3 391.559 3.746 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)c3cccc([C@@H]4CCC[N@@H+](C)C4)c3)C2)cc1 ZINC001457981703 1063481937 /nfs/dbraw/zinc/48/19/37/1063481937.db2.gz SNCLOLFNVNTMIF-RPWUZVMVSA-N 1 3 391.559 3.809 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)c3cccc([C@@H]4CCC[N@H+](C)C4)c3)C2)cc1 ZINC001457981703 1063481958 /nfs/dbraw/zinc/48/19/58/1063481958.db2.gz SNCLOLFNVNTMIF-RPWUZVMVSA-N 1 3 391.559 3.809 20 0 GHADHO CN(Cc1ccc(I)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC001459875509 1064251595 /nfs/dbraw/zinc/25/15/95/1064251595.db2.gz DMBHZBQCDHBHJT-UHFFFAOYSA-N 1 3 394.300 3.985 20 0 GHADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3c(F)ccc(C4OCCO4)c3Cl)C[C@@H]2C1 ZINC001352114022 1064846487 /nfs/dbraw/zinc/84/64/87/1064846487.db2.gz XMJNVXCVEKSNKO-SOUVJXGZSA-N 1 3 382.907 3.687 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001464785325 1065209750 /nfs/dbraw/zinc/20/97/50/1065209750.db2.gz BVCQQHCNUTVADV-ZEQRLZLVSA-N 1 3 391.559 3.852 20 0 GHADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001464785325 1065209762 /nfs/dbraw/zinc/20/97/62/1065209762.db2.gz BVCQQHCNUTVADV-ZEQRLZLVSA-N 1 3 391.559 3.852 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001477596545 1078483313 /nfs/dbraw/zinc/48/33/13/1078483313.db2.gz WIZSHWNCMBNNOU-QINBWVTOSA-N 1 3 392.632 3.649 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001477596545 1078483315 /nfs/dbraw/zinc/48/33/15/1078483315.db2.gz WIZSHWNCMBNNOU-QINBWVTOSA-N 1 3 392.632 3.649 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC001477649890 1078507105 /nfs/dbraw/zinc/50/71/05/1078507105.db2.gz AHSFCSQFQDENFC-QFIPXVFZSA-N 1 3 388.600 3.607 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)N(C)C)cc1 ZINC001477650681 1078508094 /nfs/dbraw/zinc/50/80/94/1078508094.db2.gz OUEKNWYCPLHYBT-AJSBUHFISA-N 1 3 396.579 3.897 20 0 GHADHO CC[NH+](CC)CCOc1cccc(NC(=O)N2CCN(C(C)(C)CC)CC2)c1 ZINC001467516589 1067338536 /nfs/dbraw/zinc/33/85/36/1067338536.db2.gz HIXSPVLOJPTQCA-UHFFFAOYSA-N 1 3 390.572 3.745 20 0 GHADHO CC[C@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)N1CCc2ccccc2C1 ZINC001467674905 1067412177 /nfs/dbraw/zinc/41/21/77/1067412177.db2.gz BPOSMXGSNHQQNF-XERBYJISSA-N 1 3 398.595 3.530 20 0 GHADHO [NH2+]=C(NCCc1cc2ccccc2o1)NC1CCN(Cc2ccccc2)CC1 ZINC000849099284 1067726863 /nfs/dbraw/zinc/72/68/63/1067726863.db2.gz BNWHVNRJOWXYDX-UHFFFAOYSA-N 1 3 376.504 3.754 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001468872195 1067914355 /nfs/dbraw/zinc/91/43/55/1067914355.db2.gz GWFLPOLHVQUKJY-JTHBVZDNSA-N 1 3 398.595 3.920 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001468872195 1067914359 /nfs/dbraw/zinc/91/43/59/1067914359.db2.gz GWFLPOLHVQUKJY-JTHBVZDNSA-N 1 3 398.595 3.920 20 0 GHADHO CN(C)C[C@H](NC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC001471376239 1073044447 /nfs/dbraw/zinc/04/44/47/1073044447.db2.gz HVOZLSZNMLZJKJ-FUHYEJFZSA-N 1 3 390.547 3.525 20 0 GHADHO C[NH+](C)[C@H](CNC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C)c1ccccc1 ZINC001473311119 1073915972 /nfs/dbraw/zinc/91/59/72/1073915972.db2.gz XCXHWKJMFAJDSX-IFMALSPDSA-N 1 3 385.527 3.922 20 0 GHADHO Cc1ccc(C[C@]2(C)CCC[N@H+]2CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC001473686805 1074087031 /nfs/dbraw/zinc/08/70/31/1074087031.db2.gz KXWNGFVGSMHQPB-NOZRDPDXSA-N 1 3 393.575 3.811 20 0 GHADHO Cc1ccc(C[C@]2(C)CCC[N@@H+]2CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC001473686805 1074087036 /nfs/dbraw/zinc/08/70/36/1074087036.db2.gz KXWNGFVGSMHQPB-NOZRDPDXSA-N 1 3 393.575 3.811 20 0 GHADHO CCOc1c(Br)cc(C[NH2+]CCCN(C)C)cc1Br ZINC000020477812 570948308 /nfs/dbraw/zinc/94/83/08/570948308.db2.gz UNQFOFWBBXCWAL-UHFFFAOYSA-N 1 3 394.151 3.652 20 0 GHADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000736194572 599312773 /nfs/dbraw/zinc/31/27/73/599312773.db2.gz AZKDEXZBHWQUDD-SFHVURJKSA-N 1 3 390.535 3.772 20 0 GHADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000736194572 599312776 /nfs/dbraw/zinc/31/27/76/599312776.db2.gz AZKDEXZBHWQUDD-SFHVURJKSA-N 1 3 390.535 3.772 20 0 GHADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000736194572 599312779 /nfs/dbraw/zinc/31/27/79/599312779.db2.gz AZKDEXZBHWQUDD-SFHVURJKSA-N 1 3 390.535 3.772 20 0 GHADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000736194572 599312782 /nfs/dbraw/zinc/31/27/82/599312782.db2.gz AZKDEXZBHWQUDD-SFHVURJKSA-N 1 3 390.535 3.772 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCc3cc(O)ccc3C2)CC1 ZINC000683474193 837387260 /nfs/dbraw/zinc/38/72/60/837387260.db2.gz YZDWNZCMPACPDM-JOCHJYFZSA-N 1 3 379.548 3.571 20 0 GHADHO CCN(CC)[C@@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655684857 837669636 /nfs/dbraw/zinc/66/96/36/837669636.db2.gz ZOAMKNGDVDJYCI-NQIIRXRSSA-N 1 3 379.976 3.566 20 0 GHADHO CC1CCN([C@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c2ccccc2)CC1 ZINC000655696998 837686493 /nfs/dbraw/zinc/68/64/93/837686493.db2.gz GXLKAECTRQYHOE-BJKOFHAPSA-N 1 3 385.596 3.693 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000583526365 834570542 /nfs/dbraw/zinc/57/05/42/834570542.db2.gz IKBWJMOANSCVPN-UZVYXBEXSA-N 1 3 382.552 3.623 20 0 GHADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000583526365 834570546 /nfs/dbraw/zinc/57/05/46/834570546.db2.gz IKBWJMOANSCVPN-UZVYXBEXSA-N 1 3 382.552 3.623 20 0 GHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723403 834703082 /nfs/dbraw/zinc/70/30/82/834703082.db2.gz NJPUDDDYPVSZJX-HMXCVIKNSA-N 1 3 388.943 3.695 20 0 GHADHO CCCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000246560838 834932161 /nfs/dbraw/zinc/93/21/61/834932161.db2.gz UJEAWAUBOBTPKD-GLCCWIKHSA-N 1 3 383.580 3.810 20 0 GHADHO O=C(NC1CC1)c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000685443010 835013035 /nfs/dbraw/zinc/01/30/35/835013035.db2.gz HJBYGPCJIQMHJE-RUZDIDTESA-N 1 3 389.543 3.677 20 0 GHADHO O=C(NC1CC1)c1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000685443010 835013048 /nfs/dbraw/zinc/01/30/48/835013048.db2.gz HJBYGPCJIQMHJE-RUZDIDTESA-N 1 3 389.543 3.677 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(c3cccnc3)CC2)CC1 ZINC000685456523 835021203 /nfs/dbraw/zinc/02/12/03/835021203.db2.gz VVAJYDIQFRGZLB-UHFFFAOYSA-N 1 3 378.564 3.993 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274758084 835037846 /nfs/dbraw/zinc/03/78/46/835037846.db2.gz JHIVADQJINZHCX-WIYYLYMNSA-N 1 3 379.504 3.643 20 0 GHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000650756485 835055234 /nfs/dbraw/zinc/05/52/34/835055234.db2.gz BTECPQTUXLSDPU-YADHBBJMSA-N 1 3 386.561 3.589 20 0 GHADHO COc1cc2[nH+]ccc(NC3CCN([C@H](C)c4ccncc4)CC3)c2cc1OC ZINC000583867981 835174977 /nfs/dbraw/zinc/17/49/77/835174977.db2.gz ZUJAHJAJOQRWPN-MRXNPFEDSA-N 1 3 392.503 3.706 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)cc3SC)CC2)CC1 ZINC000655160349 835316642 /nfs/dbraw/zinc/31/66/42/835316642.db2.gz XJTPOEJSXAMKRL-UHFFFAOYSA-N 1 3 379.545 3.682 20 0 GHADHO Cc1cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000583992803 835364680 /nfs/dbraw/zinc/36/46/80/835364680.db2.gz FQQLBXGCHRYLCN-MAODHWIISA-N 1 3 398.595 3.618 20 0 GHADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000658066628 835406053 /nfs/dbraw/zinc/40/60/53/835406053.db2.gz CPCUKDTWHNPYPC-HNNXBMFYSA-N 1 3 390.959 3.768 20 0 GHADHO Brc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000132801687 835425163 /nfs/dbraw/zinc/42/51/63/835425163.db2.gz QNMXAJVHWKVIAX-AUUYWEPGSA-N 1 3 379.342 3.527 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657836448 835791247 /nfs/dbraw/zinc/79/12/47/835791247.db2.gz SMYBQTIFPVSANE-CQSZACIVSA-N 1 3 388.781 3.781 20 0 GHADHO CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000109348066 835837167 /nfs/dbraw/zinc/83/71/67/835837167.db2.gz NBEXZRXFDBXHPP-OAQYLSRUSA-N 1 3 389.559 3.666 20 0 GHADHO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000471217800 835932294 /nfs/dbraw/zinc/93/22/94/835932294.db2.gz DEHLNGIFTQLWDF-IBGZPJMESA-N 1 3 397.538 3.847 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)CC(C)C ZINC000612336741 836084249 /nfs/dbraw/zinc/08/42/49/836084249.db2.gz HNVXVRKKEHCZIL-HXUWFJFHSA-N 1 3 392.588 3.642 20 0 GHADHO CC(C)(C)OC(=O)c1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000180213350 836104853 /nfs/dbraw/zinc/10/48/53/836104853.db2.gz NZBCBBPQOSMICC-UHFFFAOYSA-N 1 3 388.552 3.719 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483550 844157008 /nfs/dbraw/zinc/15/70/08/844157008.db2.gz HNEODEJGNDCHTA-OFNKIYASSA-N 1 3 379.548 3.523 20 0 GHADHO CC(C)[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc2ccccc2o1 ZINC000414180501 836426958 /nfs/dbraw/zinc/42/69/58/836426958.db2.gz BIOORFHWVVWLMK-QFIPXVFZSA-N 1 3 385.552 3.516 20 0 GHADHO Cc1cc2oc(=O)cc(CN(C)CCN(C)C3CC[NH+](C)CC3)c2cc1C(C)C ZINC000177380269 836436328 /nfs/dbraw/zinc/43/63/28/836436328.db2.gz BOAGMUMMQDDRBX-UHFFFAOYSA-N 1 3 399.579 3.683 20 0 GHADHO COc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC(C)C ZINC000093734943 844192617 /nfs/dbraw/zinc/19/26/17/844192617.db2.gz PRRTVGOQYNLSQI-UHFFFAOYSA-N 1 3 376.541 3.559 20 0 GHADHO CN(c1ccccc1CNCc1ccc(-n2ccnc2)cc1)C1CC[NH+](C)CC1 ZINC000177566269 836806449 /nfs/dbraw/zinc/80/64/49/836806449.db2.gz SGKBZTVWQANUKZ-UHFFFAOYSA-N 1 3 389.547 3.693 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2c(NC(=O)OC(C)(C)C)cnn2C)C1 ZINC000892587573 836822955 /nfs/dbraw/zinc/82/29/55/836822955.db2.gz AQXZNRDQSAUHIV-CALCHBBNSA-N 1 3 393.576 3.615 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2c(NC(=O)OC(C)(C)C)cnn2C)C1 ZINC000892587573 836822963 /nfs/dbraw/zinc/82/29/63/836822963.db2.gz AQXZNRDQSAUHIV-CALCHBBNSA-N 1 3 393.576 3.615 20 0 GHADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000155323146 836958337 /nfs/dbraw/zinc/95/83/37/836958337.db2.gz IVRWSHHPHBDRLY-VXKWHMMOSA-N 1 3 386.584 3.512 20 0 GHADHO CC[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(F)c1 ZINC000414339688 837215727 /nfs/dbraw/zinc/21/57/27/837215727.db2.gz LVBQOKPFROMDBQ-JOCHJYFZSA-N 1 3 383.511 3.764 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1)C(C)C ZINC000110121078 844254978 /nfs/dbraw/zinc/25/49/78/844254978.db2.gz BZJBKXZVXSJITC-QHCPKHFHSA-N 1 3 379.548 3.921 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1)C(C)C ZINC000110121078 844254988 /nfs/dbraw/zinc/25/49/88/844254988.db2.gz BZJBKXZVXSJITC-QHCPKHFHSA-N 1 3 379.548 3.921 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000659269998 838043053 /nfs/dbraw/zinc/04/30/53/838043053.db2.gz SAHWITJNEVIPCS-JMUQELJHSA-N 1 3 377.532 3.733 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000659269998 838043059 /nfs/dbraw/zinc/04/30/59/838043059.db2.gz SAHWITJNEVIPCS-JMUQELJHSA-N 1 3 377.532 3.733 20 0 GHADHO CN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000275621071 838049752 /nfs/dbraw/zinc/04/97/52/838049752.db2.gz JKRQHGSNRGNEEO-NRFANRHFSA-N 1 3 380.536 3.529 20 0 GHADHO CCCn1c2ccccc2nc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000579970385 838166889 /nfs/dbraw/zinc/16/68/89/838166889.db2.gz CRFLCVPQXPUDCW-UHFFFAOYSA-N 1 3 397.567 3.581 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659286278 838205616 /nfs/dbraw/zinc/20/56/16/838205616.db2.gz WSWNYDVVALJUJF-OAQYLSRUSA-N 1 3 381.545 3.717 20 0 GHADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415970623 838340148 /nfs/dbraw/zinc/34/01/48/838340148.db2.gz FIWUUBBADJXTSY-OAQYLSRUSA-N 1 3 380.536 3.740 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000580118541 838903404 /nfs/dbraw/zinc/90/34/04/838903404.db2.gz GSMDQWVGVYFFMA-PMACEKPBSA-N 1 3 375.582 3.534 20 0 GHADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000580118541 838903410 /nfs/dbraw/zinc/90/34/10/838903410.db2.gz GSMDQWVGVYFFMA-PMACEKPBSA-N 1 3 375.582 3.534 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000460346400 839149534 /nfs/dbraw/zinc/14/95/34/839149534.db2.gz GOZXHMWNZODRTE-ROUUACIJSA-N 1 3 399.966 3.702 20 0 GHADHO CC[NH+]1CCC(NC[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000580304700 839215179 /nfs/dbraw/zinc/21/51/79/839215179.db2.gz TWWQZSTWDSDITP-ISKFKSNPSA-N 1 3 382.548 3.536 20 0 GHADHO CCOc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OCC(C)C ZINC000415123308 839242689 /nfs/dbraw/zinc/24/26/89/839242689.db2.gz JISHJESCCGQXBS-REWPJTCUSA-N 1 3 390.568 3.838 20 0 GHADHO CCN1CCN(c2ccc(NC(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000580315369 839257199 /nfs/dbraw/zinc/25/71/99/839257199.db2.gz FMYSTZWLVNERIW-JOCHJYFZSA-N 1 3 394.563 3.802 20 0 GHADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000471594797 839813627 /nfs/dbraw/zinc/81/36/27/839813627.db2.gz QTQFHBDOSSLSHM-GOSISDBHSA-N 1 3 397.563 3.838 20 0 GHADHO CCc1cccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000580641260 839947023 /nfs/dbraw/zinc/94/70/23/839947023.db2.gz MQGDIKDSZDUUDU-JQVVWYNYSA-N 1 3 388.577 3.723 20 0 GHADHO CCc1cccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000580641260 839947040 /nfs/dbraw/zinc/94/70/40/839947040.db2.gz MQGDIKDSZDUUDU-JQVVWYNYSA-N 1 3 388.577 3.723 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417012589 840368094 /nfs/dbraw/zinc/36/80/94/840368094.db2.gz XIUGNODSKFMXIH-YZGWKJHDSA-N 1 3 392.613 3.695 20 0 GHADHO CC1CCN([C@@H](CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c2ccccc2)CC1 ZINC000417209571 840599367 /nfs/dbraw/zinc/59/93/67/840599367.db2.gz CFJLRUNQMFUVPA-GOTSBHOMSA-N 1 3 398.595 3.633 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)N2CCCC2)cc1 ZINC000417352697 840749449 /nfs/dbraw/zinc/74/94/49/840749449.db2.gz GUXMETSBUGEERI-PGRDOPGGSA-N 1 3 380.536 3.651 20 0 GHADHO COCC1(CN2CCCC3(CCC[N@H+](CC4(COC)CCC4)C3)C2)CCC1 ZINC000463210492 840874566 /nfs/dbraw/zinc/87/45/66/840874566.db2.gz GMMFQMQESHIUOB-UHFFFAOYSA-N 1 3 378.601 3.798 20 0 GHADHO COCC1(CN2CCCC3(CCC[N@@H+](CC4(COC)CCC4)C3)C2)CCC1 ZINC000463210492 840874573 /nfs/dbraw/zinc/87/45/73/840874573.db2.gz GMMFQMQESHIUOB-UHFFFAOYSA-N 1 3 378.601 3.798 20 0 GHADHO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000543871005 840884997 /nfs/dbraw/zinc/88/49/97/840884997.db2.gz SQWGNLXTGLMZIL-HXUWFJFHSA-N 1 3 385.596 3.794 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000512571368 844590081 /nfs/dbraw/zinc/59/00/81/844590081.db2.gz BAIRWHGNGALUQM-DENIHFKCSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000512571368 844590094 /nfs/dbraw/zinc/59/00/94/844590094.db2.gz BAIRWHGNGALUQM-DENIHFKCSA-N 1 3 379.548 3.779 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000544143138 840946938 /nfs/dbraw/zinc/94/69/38/840946938.db2.gz YQGYTMVQYLFDOL-WMZOPIPTSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000544143138 840946948 /nfs/dbraw/zinc/94/69/48/840946948.db2.gz YQGYTMVQYLFDOL-WMZOPIPTSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000544143138 840946959 /nfs/dbraw/zinc/94/69/59/840946959.db2.gz YQGYTMVQYLFDOL-WMZOPIPTSA-N 1 3 381.358 3.806 20 0 GHADHO COc1cc(Br)ccc1CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000544143138 840946966 /nfs/dbraw/zinc/94/69/66/840946966.db2.gz YQGYTMVQYLFDOL-WMZOPIPTSA-N 1 3 381.358 3.806 20 0 GHADHO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(-c2ccccc2)cn1 ZINC000651679031 841316727 /nfs/dbraw/zinc/31/67/27/841316727.db2.gz MNENCWJSPLDMSQ-LJQANCHMSA-N 1 3 387.531 3.746 20 0 GHADHO C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(-c2ccccc2)cn1 ZINC000651679031 841316736 /nfs/dbraw/zinc/31/67/36/841316736.db2.gz MNENCWJSPLDMSQ-LJQANCHMSA-N 1 3 387.531 3.746 20 0 GHADHO CCOc1cc(CNCc2ccc(C[NH+](C)C)cc2)cc(Br)c1O ZINC000500157920 841533984 /nfs/dbraw/zinc/53/39/84/841533984.db2.gz WERZDVBMXNLRTE-UHFFFAOYSA-N 1 3 393.325 3.905 20 0 GHADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)CCCN(C)Cc2ccco2)cc1 ZINC000418343379 841863159 /nfs/dbraw/zinc/86/31/59/841863159.db2.gz FXQOUSGUFISZJR-OAQYLSRUSA-N 1 3 386.540 3.566 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652335229 842270086 /nfs/dbraw/zinc/27/00/86/842270086.db2.gz YYSASXKHKPMFGQ-KEZQHZCBSA-N 1 3 377.532 3.548 20 0 GHADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652335229 842270094 /nfs/dbraw/zinc/27/00/94/842270094.db2.gz YYSASXKHKPMFGQ-KEZQHZCBSA-N 1 3 377.532 3.548 20 0 GHADHO CN1CCCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000623655191 861299182 /nfs/dbraw/zinc/29/91/82/861299182.db2.gz QPSZYTWEKXIYFY-LJQANCHMSA-N 1 3 375.520 3.756 20 0 GHADHO C[C@H]1C[N@H+](CCCN[C@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413109 842414358 /nfs/dbraw/zinc/41/43/58/842414358.db2.gz KGBURROUGMXPJM-KXBFYZLASA-N 1 3 381.358 3.917 20 0 GHADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413109 842414363 /nfs/dbraw/zinc/41/43/63/842414363.db2.gz KGBURROUGMXPJM-KXBFYZLASA-N 1 3 381.358 3.917 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471768028 842425156 /nfs/dbraw/zinc/42/51/56/842425156.db2.gz IHDIJPSNWVABMH-GOTSBHOMSA-N 1 3 379.548 3.561 20 0 GHADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471768033 842425444 /nfs/dbraw/zinc/42/54/44/842425444.db2.gz IHDIJPSNWVABMH-XZOQPEGZSA-N 1 3 379.548 3.561 20 0 GHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423196 842452138 /nfs/dbraw/zinc/45/21/38/842452138.db2.gz WXJAOHADNHDIKB-RBUKOAKNSA-N 1 3 390.572 3.712 20 0 GHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423196 842452140 /nfs/dbraw/zinc/45/21/40/842452140.db2.gz WXJAOHADNHDIKB-RBUKOAKNSA-N 1 3 390.572 3.712 20 0 GHADHO O=C(CN1CCC[C@@]2(CC=CCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000512175256 842756348 /nfs/dbraw/zinc/75/63/48/842756348.db2.gz NPXVHKNGLBGTTO-DEOSSOPVSA-N 1 3 381.564 3.721 20 0 GHADHO CCCOc1ccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000512182337 842804459 /nfs/dbraw/zinc/80/44/59/842804459.db2.gz RNCTZOLFBPNISZ-RTBURBONSA-N 1 3 390.568 3.805 20 0 GHADHO COc1ccc([C@@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)cc1NC(C)=O ZINC000165192795 843071112 /nfs/dbraw/zinc/07/11/12/843071112.db2.gz RUHHAMUURSIKEU-QGZVFWFLSA-N 1 3 399.535 3.835 20 0 GHADHO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295179 843086744 /nfs/dbraw/zinc/08/67/44/843086744.db2.gz FTTIURXALJASOL-GDBMZVCRSA-N 1 3 383.458 3.744 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662439919 843250700 /nfs/dbraw/zinc/25/07/00/843250700.db2.gz HSYBOGUVLNBMRT-QHCPKHFHSA-N 1 3 377.532 3.592 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662439919 843250707 /nfs/dbraw/zinc/25/07/07/843250707.db2.gz HSYBOGUVLNBMRT-QHCPKHFHSA-N 1 3 377.532 3.592 20 0 GHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548410463 843285884 /nfs/dbraw/zinc/28/58/84/843285884.db2.gz CMEZQCOFTIFOND-HSZRJFAPSA-N 1 3 377.532 3.849 20 0 GHADHO O=C(CC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)Nc1ccccc1 ZINC000663368862 843337836 /nfs/dbraw/zinc/33/78/36/843337836.db2.gz PXMKDJFQWWFWRC-OAQYLSRUSA-N 1 3 377.532 3.907 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662503683 843349011 /nfs/dbraw/zinc/34/90/11/843349011.db2.gz VPSCETPHEYKMIR-AZUAARDMSA-N 1 3 395.572 3.521 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503683 843349023 /nfs/dbraw/zinc/34/90/23/843349023.db2.gz VPSCETPHEYKMIR-AZUAARDMSA-N 1 3 395.572 3.521 20 0 GHADHO C[C@@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000162930964 843377158 /nfs/dbraw/zinc/37/71/58/843377158.db2.gz XAMZBRRFCPFROT-UZLBHIALSA-N 1 3 396.453 3.728 20 0 GHADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000431029263 843452786 /nfs/dbraw/zinc/45/27/86/843452786.db2.gz ZXMMCXGURLQIOE-ZIAGYGMSSA-N 1 3 384.351 3.635 20 0 GHADHO CCN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418681271 843529297 /nfs/dbraw/zinc/52/92/97/843529297.db2.gz VKDMJOCJAPZRMR-DHIUTWEWSA-N 1 3 394.563 3.773 20 0 GHADHO CCN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418681272 843529593 /nfs/dbraw/zinc/52/95/93/843529593.db2.gz VKDMJOCJAPZRMR-GOTSBHOMSA-N 1 3 394.563 3.773 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000549617317 843716053 /nfs/dbraw/zinc/71/60/53/843716053.db2.gz LMTHBSNWEQTVPQ-OAQYLSRUSA-N 1 3 385.939 3.969 20 0 GHADHO CN1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[C@H]1c1ccccc1 ZINC000536233641 843914685 /nfs/dbraw/zinc/91/46/85/843914685.db2.gz QLIDVWAGQDCTEA-ACIOBRDBSA-N 1 3 398.595 3.729 20 0 GHADHO C[NH+](C)CC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(C)(C)C ZINC000522479842 861487139 /nfs/dbraw/zinc/48/71/39/861487139.db2.gz QMPLSMIQOMROMM-AZUAARDMSA-N 1 3 377.548 3.520 20 0 GHADHO c1c(CC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc2n1CCCC2 ZINC000512662620 844916155 /nfs/dbraw/zinc/91/61/55/844916155.db2.gz ZBJQOTPZLGOWEW-WWNPGLIZSA-N 1 3 378.564 3.652 20 0 GHADHO CCc1cccc(OC[C@@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000582057992 846185189 /nfs/dbraw/zinc/18/51/89/846185189.db2.gz LUSDMGQOKCJPND-CVDCTZTESA-N 1 3 382.548 3.804 20 0 GHADHO CCN1CCC([N@@H+]2CCCN(Cc3cc4ccccc4c(OC)c3)CC2)CC1 ZINC000421379974 846192238 /nfs/dbraw/zinc/19/22/38/846192238.db2.gz UYRVZWZARPEKKV-UHFFFAOYSA-N 1 3 381.564 3.840 20 0 GHADHO CCN1CCC([N@H+]2CCCN(Cc3cc4ccccc4c(OC)c3)CC2)CC1 ZINC000421379974 846192245 /nfs/dbraw/zinc/19/22/45/846192245.db2.gz UYRVZWZARPEKKV-UHFFFAOYSA-N 1 3 381.564 3.840 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075648 846616538 /nfs/dbraw/zinc/61/65/38/846616538.db2.gz KNUKTZBPCPPFBS-HNNXBMFYSA-N 1 3 388.462 3.535 20 0 GHADHO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc(F)c(CN2CCCC2)c1 ZINC001167946687 846617529 /nfs/dbraw/zinc/61/75/29/846617529.db2.gz YTZUIRBDSSYJOT-IBGZPJMESA-N 1 3 379.520 3.673 20 0 GHADHO C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N(C)Cc1ccccc1 ZINC000502966207 846671047 /nfs/dbraw/zinc/67/10/47/846671047.db2.gz GRWVCVQQNGUAST-UXHICEINSA-N 1 3 396.579 3.936 20 0 GHADHO CCN1CCN(CCC[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501414288 846899173 /nfs/dbraw/zinc/89/91/73/846899173.db2.gz SYCSIEFCVGUHNP-UHFFFAOYSA-N 1 3 387.518 3.714 20 0 GHADHO NC(=O)c1ccc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513714123 846903657 /nfs/dbraw/zinc/90/36/57/846903657.db2.gz YQURIZVWTYIGRE-RJGXRXQPSA-N 1 3 377.532 3.566 20 0 GHADHO NC(=O)c1ccc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513714123 846903661 /nfs/dbraw/zinc/90/36/61/846903661.db2.gz YQURIZVWTYIGRE-RJGXRXQPSA-N 1 3 377.532 3.566 20 0 GHADHO C[C@@H](NCc1cccc(CN2CCCC2=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562527 847111292 /nfs/dbraw/zinc/11/12/92/847111292.db2.gz GYYJJWOTWNNJKM-HYBUGGRVSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H](NCc1cccc(CN2CCCC2=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562527 847111299 /nfs/dbraw/zinc/11/12/99/847111299.db2.gz GYYJJWOTWNNJKM-HYBUGGRVSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272562527 847111303 /nfs/dbraw/zinc/11/13/03/847111303.db2.gz GYYJJWOTWNNJKM-HYBUGGRVSA-N 1 3 391.559 3.809 20 0 GHADHO C[C@@H]1CC([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168044706 861755116 /nfs/dbraw/zinc/75/51/16/861755116.db2.gz GRGOHDGKIJQDCX-QZTJIDSGSA-N 1 3 387.568 3.885 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501831122 847226779 /nfs/dbraw/zinc/22/67/79/847226779.db2.gz XKUIGQHGZVATGB-UNMCSNQZSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501831122 847226792 /nfs/dbraw/zinc/22/67/92/847226792.db2.gz XKUIGQHGZVATGB-UNMCSNQZSA-N 1 3 386.584 3.777 20 0 GHADHO O=C(CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1cccc(F)c1 ZINC000582542372 847533242 /nfs/dbraw/zinc/53/32/42/847533242.db2.gz UOCDLGPAVUZOOZ-FRIKZZABSA-N 1 3 381.495 3.940 20 0 GHADHO O=C(CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1cccc(F)c1 ZINC000582542372 847533255 /nfs/dbraw/zinc/53/32/55/847533255.db2.gz UOCDLGPAVUZOOZ-FRIKZZABSA-N 1 3 381.495 3.940 20 0 GHADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503474350 847727186 /nfs/dbraw/zinc/72/71/86/847727186.db2.gz PSLJGSSUOUPAAB-DHIUTWEWSA-N 1 3 398.595 3.559 20 0 GHADHO CCOC(=O)C1([C@H](C)N[C@H](c2ccccc2)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422876243 847864751 /nfs/dbraw/zinc/86/47/51/847864751.db2.gz QBLKLHJMURNEES-LAUBAEHRSA-N 1 3 384.495 3.826 20 0 GHADHO C[C@H]([NH2+]C1(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CCCC1)c1ccccc1 ZINC000503726811 847924822 /nfs/dbraw/zinc/92/48/22/847924822.db2.gz MFZHRQSCJZQRBR-GHTZIAJQSA-N 1 3 384.568 3.528 20 0 GHADHO CN(C)[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000133469283 848082096 /nfs/dbraw/zinc/08/20/96/848082096.db2.gz IPEAFNNAIWCZDL-HSZRJFAPSA-N 1 3 387.518 3.864 20 0 GHADHO CN(C)[C@@H](CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000604156811 861870325 /nfs/dbraw/zinc/87/03/25/861870325.db2.gz CPRNKLFPFAEZKF-PKTZIBPZSA-N 1 3 394.563 3.816 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc(OC4CCCC4)c3)cc2)C1 ZINC000657593636 848282990 /nfs/dbraw/zinc/28/29/90/848282990.db2.gz AWGODPMFIOQQTD-QFIPXVFZSA-N 1 3 380.532 3.864 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(OC4CCCC4)c3)cc2)C1 ZINC000657593636 848282994 /nfs/dbraw/zinc/28/29/94/848282994.db2.gz AWGODPMFIOQQTD-QFIPXVFZSA-N 1 3 380.532 3.864 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(F)cc3C(F)(F)F)cc2)C1 ZINC000657596992 848298137 /nfs/dbraw/zinc/29/81/37/848298137.db2.gz QBVJPPFJKCTOBJ-GOSISDBHSA-N 1 3 382.401 3.701 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(F)cc3C(F)(F)F)cc2)C1 ZINC000657596992 848298140 /nfs/dbraw/zinc/29/81/40/848298140.db2.gz QBVJPPFJKCTOBJ-GOSISDBHSA-N 1 3 382.401 3.701 20 0 GHADHO c1cc(CN2CCC(C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)ccn1 ZINC000657611969 848325259 /nfs/dbraw/zinc/32/52/59/848325259.db2.gz GNLIGGXMUVYSKG-XMMPIXPASA-N 1 3 395.547 3.641 20 0 GHADHO Fc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1Br ZINC000657613953 848341779 /nfs/dbraw/zinc/34/17/79/848341779.db2.gz YNNHBIMLANNPAV-UHFFFAOYSA-N 1 3 392.316 3.985 20 0 GHADHO CSc1ccc([C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)N(C)C)cc1 ZINC000582927149 848710449 /nfs/dbraw/zinc/71/04/49/848710449.db2.gz SYQCNNZUTIHSOS-IBGZPJMESA-N 1 3 377.598 3.640 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000548783771 848931749 /nfs/dbraw/zinc/93/17/49/848931749.db2.gz XKLODAANMJSQEP-NRFANRHFSA-N 1 3 396.579 3.727 20 0 GHADHO COC(=O)c1cccc(OCCN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001167659676 849323760 /nfs/dbraw/zinc/32/37/60/849323760.db2.gz TYCGUCPTGZFKNW-IBGZPJMESA-N 1 3 388.552 3.829 20 0 GHADHO COC(=O)c1cccc(OCCN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001167659676 849323763 /nfs/dbraw/zinc/32/37/63/849323763.db2.gz TYCGUCPTGZFKNW-IBGZPJMESA-N 1 3 388.552 3.829 20 0 GHADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCc3c2cccc3Br)ccn1 ZINC000180210787 862016895 /nfs/dbraw/zinc/01/68/95/862016895.db2.gz MSUQOTDNGVUVRV-GOSISDBHSA-N 1 3 390.325 3.562 20 0 GHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503912912 849772897 /nfs/dbraw/zinc/77/28/97/849772897.db2.gz TXPFQJQXALOYIV-UEKVPHQBSA-N 1 3 392.712 3.763 20 0 GHADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)c2)CC1 ZINC000504200231 849969043 /nfs/dbraw/zinc/96/90/43/849969043.db2.gz ZFFCQWOLAKDRFA-FQEVSTJZSA-N 1 3 398.595 3.810 20 0 GHADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)c2)CC1 ZINC000504200231 849969052 /nfs/dbraw/zinc/96/90/52/849969052.db2.gz ZFFCQWOLAKDRFA-FQEVSTJZSA-N 1 3 398.595 3.810 20 0 GHADHO [NH3+]C1(CN[C@@H](c2ncc[nH]2)C2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000423553419 849979990 /nfs/dbraw/zinc/97/99/90/849979990.db2.gz GVQRGWFKIDIUJK-OAQYLSRUSA-N 1 3 381.568 3.614 20 0 GHADHO [NH3+]CCCOC1CCN(Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000435373748 850421347 /nfs/dbraw/zinc/42/13/47/850421347.db2.gz VKONGKXQTMRZRO-UHFFFAOYSA-N 1 3 396.560 3.931 20 0 GHADHO COc1ccc(OCc2ccccn2)c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000435381114 850446340 /nfs/dbraw/zinc/44/63/40/850446340.db2.gz RHDPPKJFTCNGDS-QFIPXVFZSA-N 1 3 381.520 3.633 20 0 GHADHO C[C@@H]([NH3+])c1ccc(CNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 ZINC000414813792 850677791 /nfs/dbraw/zinc/67/77/91/850677791.db2.gz UNJFNQNKXWDZEJ-MRXNPFEDSA-N 1 3 392.503 3.558 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000515294252 850882541 /nfs/dbraw/zinc/88/25/41/850882541.db2.gz HMGSORJFICHUED-JOCHJYFZSA-N 1 3 386.584 3.587 20 0 GHADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCN1Cc1ccccc1 ZINC000487782208 850886580 /nfs/dbraw/zinc/88/65/80/850886580.db2.gz LIGRDNNNQIOEHI-WMZHIEFXSA-N 1 3 398.595 3.603 20 0 GHADHO CCCN(C(=O)NC1CC[NH+](CC)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000514198116 851364931 /nfs/dbraw/zinc/36/49/31/851364931.db2.gz ZADLAIQYRHNNLN-QFIPXVFZSA-N 1 3 386.584 3.557 20 0 GHADHO Fc1ccc(CC[NH+]2CCC(NC[C@@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000152272655 851601462 /nfs/dbraw/zinc/60/14/62/851601462.db2.gz SVCLZDDYORYYOU-QFIPXVFZSA-N 1 3 385.527 3.852 20 0 GHADHO Fc1ccc(CCN2CCC([NH2+]C[C@@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000152272655 851601468 /nfs/dbraw/zinc/60/14/68/851601468.db2.gz SVCLZDDYORYYOU-QFIPXVFZSA-N 1 3 385.527 3.852 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(C)(C)C ZINC001167974327 851664942 /nfs/dbraw/zinc/66/49/42/851664942.db2.gz WGYXUJBHBPKKGS-IPQPSQTFSA-N 1 3 379.589 3.921 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(C)(C)C ZINC001167974327 851664947 /nfs/dbraw/zinc/66/49/47/851664947.db2.gz WGYXUJBHBPKKGS-IPQPSQTFSA-N 1 3 379.589 3.921 20 0 GHADHO COc1cc(CNCc2cccc(C[NH+](C)C)c2)ccc1OCC(F)(F)F ZINC000101590781 851733731 /nfs/dbraw/zinc/73/37/31/851733731.db2.gz NUNVFIYZUZRHQS-UHFFFAOYSA-N 1 3 382.426 3.988 20 0 GHADHO C[C@H]1CN(Cc2ccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc2)C[C@H](C)O1 ZINC000570359750 852049576 /nfs/dbraw/zinc/04/95/76/852049576.db2.gz BEZMALVKVKTWJI-HOTGVXAUSA-N 1 3 389.459 3.661 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000517539922 852068714 /nfs/dbraw/zinc/06/87/14/852068714.db2.gz HVJHUGSFKITDLB-TZIWHRDSSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000517539922 852068725 /nfs/dbraw/zinc/06/87/25/852068725.db2.gz HVJHUGSFKITDLB-TZIWHRDSSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377951 852202790 /nfs/dbraw/zinc/20/27/90/852202790.db2.gz ZOWBOSVZKVQCHC-MSYCTHLASA-N 1 3 379.548 3.950 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377951 852202800 /nfs/dbraw/zinc/20/28/00/852202800.db2.gz ZOWBOSVZKVQCHC-MSYCTHLASA-N 1 3 379.548 3.950 20 0 GHADHO CC1(C)CCC[C@@H]1N(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000426809770 852420596 /nfs/dbraw/zinc/42/05/96/852420596.db2.gz GBBLSNVEHDKWKS-QFIPXVFZSA-N 1 3 383.580 3.810 20 0 GHADHO C[C@@H]1CN(CCC2CC[NH+](CCCOCCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000426810443 852421602 /nfs/dbraw/zinc/42/16/02/852421602.db2.gz ZORKBODBJFGZEZ-FGZHOGPDSA-N 1 3 388.596 3.847 20 0 GHADHO Cc1ccc([C@H](CNC(=O)c2ccccc2OCC[NH+](C)C)N2CCCC2)cc1 ZINC000489617842 852468590 /nfs/dbraw/zinc/46/85/90/852468590.db2.gz DERJTEVEQWRURX-QFIPXVFZSA-N 1 3 395.547 3.502 20 0 GHADHO CCN(CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)CCC(F)(F)F ZINC000426037398 852481599 /nfs/dbraw/zinc/48/15/99/852481599.db2.gz UUAJUVBYDWMLOC-SLFFLAALSA-N 1 3 383.502 3.761 20 0 GHADHO CCN(CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)CCC(F)(F)F ZINC000426037398 852481605 /nfs/dbraw/zinc/48/16/05/852481605.db2.gz UUAJUVBYDWMLOC-SLFFLAALSA-N 1 3 383.502 3.761 20 0 GHADHO CCN(CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CCC(F)(F)F ZINC000426037398 852481607 /nfs/dbraw/zinc/48/16/07/852481607.db2.gz UUAJUVBYDWMLOC-SLFFLAALSA-N 1 3 383.502 3.761 20 0 GHADHO CC1CCN(C[C@H](O)C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038456 852496242 /nfs/dbraw/zinc/49/62/42/852496242.db2.gz ZBZSSNZOKSONCO-FGZHOGPDSA-N 1 3 387.955 3.701 20 0 GHADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000507355777 852823122 /nfs/dbraw/zinc/82/31/22/852823122.db2.gz CZYFZECOWMBMQY-HSZRJFAPSA-N 1 3 382.548 3.898 20 0 GHADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000507355777 852823130 /nfs/dbraw/zinc/82/31/30/852823130.db2.gz CZYFZECOWMBMQY-HSZRJFAPSA-N 1 3 382.548 3.898 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414954471 852874139 /nfs/dbraw/zinc/87/41/39/852874139.db2.gz SOEFNRGFMHMBJC-WZRBSPASSA-N 1 3 377.838 3.806 20 0 GHADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414904865 853137813 /nfs/dbraw/zinc/13/78/13/853137813.db2.gz MIDMYTQYGXFMGS-NWDGAFQWSA-N 1 3 377.838 3.808 20 0 GHADHO c1cnc(N2CCC3(CCC[N@@H+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C3)CC2)nc1 ZINC001167986630 853147686 /nfs/dbraw/zinc/14/76/86/853147686.db2.gz HMPQXLMLVOFOSW-CBQGHPETSA-N 1 3 395.595 3.564 20 0 GHADHO c1cnc(N2CCC3(CCC[N@H+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C3)CC2)nc1 ZINC001167986630 853147690 /nfs/dbraw/zinc/14/76/90/853147690.db2.gz HMPQXLMLVOFOSW-CBQGHPETSA-N 1 3 395.595 3.564 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C/C(C)=C/c3ccccc3)CC2)CC1 ZINC000517039467 853281851 /nfs/dbraw/zinc/28/18/51/853281851.db2.gz FHLLMTUXKVDVBO-CZIZESTLSA-N 1 3 383.580 3.745 20 0 GHADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000490892884 853336919 /nfs/dbraw/zinc/33/69/19/853336919.db2.gz ZJGNWUTVKRJVBP-SFHVURJKSA-N 1 3 380.602 3.552 20 0 GHADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000490892884 853336925 /nfs/dbraw/zinc/33/69/25/853336925.db2.gz ZJGNWUTVKRJVBP-SFHVURJKSA-N 1 3 380.602 3.552 20 0 GHADHO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)N1c1ccccc1 ZINC001167988639 853642531 /nfs/dbraw/zinc/64/25/31/853642531.db2.gz LIDSLDSHNTYRCF-ARMVQHAZSA-N 1 3 379.548 3.662 20 0 GHADHO O=C1CC[C@@H]2[C@@H](CC[N@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)N1c1ccccc1 ZINC001167988639 853642534 /nfs/dbraw/zinc/64/25/34/853642534.db2.gz LIDSLDSHNTYRCF-ARMVQHAZSA-N 1 3 379.548 3.662 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168377747 853680472 /nfs/dbraw/zinc/68/04/72/853680472.db2.gz HDWUQSOETKCWPW-KNQAVFIVSA-N 1 3 395.563 3.532 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168377747 853680477 /nfs/dbraw/zinc/68/04/77/853680477.db2.gz HDWUQSOETKCWPW-KNQAVFIVSA-N 1 3 395.563 3.532 20 0 GHADHO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000572047559 854344567 /nfs/dbraw/zinc/34/45/67/854344567.db2.gz MOYIHLOULHWWKU-ZTCOLXNVSA-N 1 3 391.559 3.596 20 0 GHADHO CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113093344 854372266 /nfs/dbraw/zinc/37/22/66/854372266.db2.gz MUMCPDKVXSLWSQ-DEOSSOPVSA-N 1 3 391.559 3.774 20 0 GHADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000589205243 854749306 /nfs/dbraw/zinc/74/93/06/854749306.db2.gz YWVOHBHTNSATPR-ROUUACIJSA-N 1 3 380.602 3.551 20 0 GHADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000589205243 854749311 /nfs/dbraw/zinc/74/93/11/854749311.db2.gz YWVOHBHTNSATPR-ROUUACIJSA-N 1 3 380.602 3.551 20 0 GHADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589998840 855221333 /nfs/dbraw/zinc/22/13/33/855221333.db2.gz ZRPUCAODBJAWQU-HBMCJLEFSA-N 1 3 385.596 3.723 20 0 GHADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589998840 855221335 /nfs/dbraw/zinc/22/13/35/855221335.db2.gz ZRPUCAODBJAWQU-HBMCJLEFSA-N 1 3 385.596 3.723 20 0 GHADHO COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647986627 855417868 /nfs/dbraw/zinc/41/78/68/855417868.db2.gz URVFQBCYOGQLPK-VIZSFHNOSA-N 1 3 393.531 3.697 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107826577 855562499 /nfs/dbraw/zinc/56/24/99/855562499.db2.gz CKNPSKAHQXFLOO-RBUKOAKNSA-N 1 3 390.597 3.545 20 0 GHADHO CC(C)[C@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)N1CCCCC1 ZINC000520549309 855620237 /nfs/dbraw/zinc/62/02/37/855620237.db2.gz PERPVVVXPJJRMC-HSZRJFAPSA-N 1 3 398.595 3.668 20 0 GHADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000573244340 856021599 /nfs/dbraw/zinc/02/15/99/856021599.db2.gz BLFRSBSOCJERGK-HMXCVIKNSA-N 1 3 395.513 3.903 20 0 GHADHO CCOc1ccccc1NC(=O)[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000656127017 856472954 /nfs/dbraw/zinc/47/29/54/856472954.db2.gz HSDQYHYKHJPVDH-ZWCUEREDSA-N 1 3 381.520 3.695 20 0 GHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146467 856816795 /nfs/dbraw/zinc/81/67/95/856816795.db2.gz VGCIMUAFEAQPMZ-MGPUTAFESA-N 1 3 389.337 3.867 20 0 GHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146467 856816805 /nfs/dbraw/zinc/81/68/05/856816805.db2.gz VGCIMUAFEAQPMZ-MGPUTAFESA-N 1 3 389.337 3.867 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000427888017 856846863 /nfs/dbraw/zinc/84/68/63/856846863.db2.gz CIKVEPLQKAECMQ-OEMFJLHTSA-N 1 3 387.612 3.768 20 0 GHADHO COC(=O)c1cccc(-c2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592492222 856899000 /nfs/dbraw/zinc/89/90/00/856899000.db2.gz WWVLMBWTBVKBKA-RTBURBONSA-N 1 3 399.560 3.808 20 0 GHADHO CCCc1nc(C)c(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000428208451 857190504 /nfs/dbraw/zinc/19/05/04/857190504.db2.gz OVSYYROAFVJYDW-UHFFFAOYSA-N 1 3 376.589 3.564 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000520835061 857300181 /nfs/dbraw/zinc/30/01/81/857300181.db2.gz WXDYGNAXJLHBTM-UHFFFAOYSA-N 1 3 385.552 3.535 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672555554 857464667 /nfs/dbraw/zinc/46/46/67/857464667.db2.gz LOBVYZQNVWMFLU-HSALFYBXSA-N 1 3 392.975 3.649 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672555554 857464676 /nfs/dbraw/zinc/46/46/76/857464676.db2.gz LOBVYZQNVWMFLU-HSALFYBXSA-N 1 3 392.975 3.649 20 0 GHADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C(C)C ZINC000062474150 857569797 /nfs/dbraw/zinc/56/97/97/857569797.db2.gz VNOQZBRXUBGAPQ-UHFFFAOYSA-N 1 3 382.980 3.532 20 0 GHADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000671740285 857751452 /nfs/dbraw/zinc/75/14/52/857751452.db2.gz GXQGVYDIYWXNKI-ALJFMCDRSA-N 1 3 390.575 3.923 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000486476160 857774153 /nfs/dbraw/zinc/77/41/53/857774153.db2.gz ZELBHDNSXFOUPY-IRLDBZIGSA-N 1 3 398.595 3.571 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccsc1 ZINC000079598891 858589375 /nfs/dbraw/zinc/58/93/75/858589375.db2.gz JTCXTRVNIHOBLW-IBGZPJMESA-N 1 3 380.602 3.504 20 0 GHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000474044024 858620594 /nfs/dbraw/zinc/62/05/94/858620594.db2.gz HDWFGWWKFSTCOO-DEOSSOPVSA-N 1 3 393.575 3.955 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000499682936 858823305 /nfs/dbraw/zinc/82/33/05/858823305.db2.gz KSDXULYLUIBJIB-RPWUZVMVSA-N 1 3 398.522 3.872 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000922971130 858908874 /nfs/dbraw/zinc/90/88/74/858908874.db2.gz HMMRIBVEOFMRPK-IBPRQYQWSA-N 1 3 399.579 3.828 20 0 GHADHO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000922971130 858908884 /nfs/dbraw/zinc/90/88/84/858908884.db2.gz HMMRIBVEOFMRPK-IBPRQYQWSA-N 1 3 399.579 3.828 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000668157285 858966750 /nfs/dbraw/zinc/96/67/50/858966750.db2.gz MLLRRVFUMWCBSQ-UHFFFAOYSA-N 1 3 384.568 3.536 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443597156 859025812 /nfs/dbraw/zinc/02/58/12/859025812.db2.gz YMJPWUIPHQBFIB-RBUKOAKNSA-N 1 3 389.559 3.979 20 0 GHADHO CN(CCNC(=O)C1CC[NH+](CCC2CCCCC2)CC1)Cc1ccccc1 ZINC000483278805 859266652 /nfs/dbraw/zinc/26/66/52/859266652.db2.gz JSLMLYPPGSENRS-UHFFFAOYSA-N 1 3 385.596 3.917 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccccc3)C3CCCC3)CC2)CC1 ZINC000051761401 859313264 /nfs/dbraw/zinc/31/32/64/859313264.db2.gz KRMXXNYUHSYUJM-QHCPKHFHSA-N 1 3 398.595 3.776 20 0 GHADHO COc1cccc2c1CCC[C@@H]2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000194908616 859329286 /nfs/dbraw/zinc/32/92/86/859329286.db2.gz RRULDJFPLHUARX-QHCPKHFHSA-N 1 3 380.532 3.819 20 0 GHADHO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000194908616 859329293 /nfs/dbraw/zinc/32/92/93/859329293.db2.gz RRULDJFPLHUARX-QHCPKHFHSA-N 1 3 380.532 3.819 20 0 GHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000483470067 859383216 /nfs/dbraw/zinc/38/32/16/859383216.db2.gz FTEYNLXOZCYAIE-OAQYLSRUSA-N 1 3 393.575 3.925 20 0 GHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-n2cncn2)cc1 ZINC000509445295 859459537 /nfs/dbraw/zinc/45/95/37/859459537.db2.gz BMUAYVQAIZJIKK-JOCHJYFZSA-N 1 3 375.520 3.658 20 0 GHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-n2cncn2)cc1 ZINC000509445295 859459539 /nfs/dbraw/zinc/45/95/39/859459539.db2.gz BMUAYVQAIZJIKK-JOCHJYFZSA-N 1 3 375.520 3.658 20 0 GHADHO Cc1cc(C[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc(C)c1O ZINC000856558944 881432168 /nfs/dbraw/zinc/43/21/68/881432168.db2.gz LXBJIEFKEMFIDE-QFIPXVFZSA-N 1 3 383.536 3.898 20 0 GHADHO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc(C)c1O ZINC000856558944 881432173 /nfs/dbraw/zinc/43/21/73/881432173.db2.gz LXBJIEFKEMFIDE-QFIPXVFZSA-N 1 3 383.536 3.898 20 0 GHADHO COc1cc(C)ccc1CN1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856560046 881440791 /nfs/dbraw/zinc/44/07/91/881440791.db2.gz UTNLHOOFFIVLDU-JOCHJYFZSA-N 1 3 383.536 3.892 20 0 GHADHO COc1cc(C)ccc1CN1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856560046 881440799 /nfs/dbraw/zinc/44/07/99/881440799.db2.gz UTNLHOOFFIVLDU-JOCHJYFZSA-N 1 3 383.536 3.892 20 0 GHADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)c1ccc2c(c1)CCO2 ZINC000765010711 859735717 /nfs/dbraw/zinc/73/57/17/859735717.db2.gz QTYNQMZCYMDXSP-XMMPIXPASA-N 1 3 393.575 4.000 20 0 GHADHO COCc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856561914 881464199 /nfs/dbraw/zinc/46/41/99/881464199.db2.gz XIUJTLTVSOBFFK-HSZRJFAPSA-N 1 3 383.536 3.722 20 0 GHADHO COCc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856561914 881464209 /nfs/dbraw/zinc/46/42/09/881464209.db2.gz XIUJTLTVSOBFFK-HSZRJFAPSA-N 1 3 383.536 3.722 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4ccc(F)cc4)CCC3)CC2)CC1 ZINC000654602884 859887796 /nfs/dbraw/zinc/88/77/96/859887796.db2.gz XKLCZTWMWIJRHE-UHFFFAOYSA-N 1 3 387.543 3.517 20 0 GHADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC000922391433 859889559 /nfs/dbraw/zinc/88/95/59/859889559.db2.gz WHYAVQXYYWHMHH-WERVVEIQSA-N 1 3 389.540 3.519 20 0 GHADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3F)s1)C2 ZINC000922391433 859889571 /nfs/dbraw/zinc/88/95/71/859889571.db2.gz WHYAVQXYYWHMHH-WERVVEIQSA-N 1 3 389.540 3.519 20 0 GHADHO C[C@@H]1CC(N[C@@H]2CCN(Cc3ccccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033587 859967253 /nfs/dbraw/zinc/96/72/53/859967253.db2.gz MJYUYSADRYSKSU-TXTKFYIRSA-N 1 3 378.564 3.687 20 0 GHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000474468069 860149443 /nfs/dbraw/zinc/14/94/43/860149443.db2.gz HBIFMOXQCHIVQE-UXHICEINSA-N 1 3 381.564 3.724 20 0 GHADHO COC(=O)c1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)n2c1CCCC2 ZINC000598631017 860459155 /nfs/dbraw/zinc/45/91/55/860459155.db2.gz NLHLGGHROYCYES-UHFFFAOYSA-N 1 3 383.536 3.741 20 0 GHADHO COC(=O)c1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)n2c1CCCC2 ZINC000598631017 860459163 /nfs/dbraw/zinc/45/91/63/860459163.db2.gz NLHLGGHROYCYES-UHFFFAOYSA-N 1 3 383.536 3.741 20 0 GHADHO Cc1ccccc1OCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856597515 881573181 /nfs/dbraw/zinc/57/31/81/881573181.db2.gz ITIWUASURUWGKG-QFIPXVFZSA-N 1 3 383.536 3.762 20 0 GHADHO Cc1ccccc1OCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856597515 881573193 /nfs/dbraw/zinc/57/31/93/881573193.db2.gz ITIWUASURUWGKG-QFIPXVFZSA-N 1 3 383.536 3.762 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCN(C)c3ccccc3)C2)ccn1 ZINC000856600305 881575581 /nfs/dbraw/zinc/57/55/81/881575581.db2.gz SSOIATCAGUYNAX-HSZRJFAPSA-N 1 3 382.552 3.511 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCN(C)c3ccccc3)C2)ccn1 ZINC000856600305 881575592 /nfs/dbraw/zinc/57/55/92/881575592.db2.gz SSOIATCAGUYNAX-HSZRJFAPSA-N 1 3 382.552 3.511 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600068075 860885428 /nfs/dbraw/zinc/88/54/28/860885428.db2.gz MESQVWGQAJDQLZ-NZQKXSOJSA-N 1 3 385.596 3.566 20 0 GHADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600068075 860885435 /nfs/dbraw/zinc/88/54/35/860885435.db2.gz MESQVWGQAJDQLZ-NZQKXSOJSA-N 1 3 385.596 3.566 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000481321418 861037923 /nfs/dbraw/zinc/03/79/23/861037923.db2.gz OTZMXNNJMITKFD-SQJMNOBHSA-N 1 3 393.575 3.519 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000481321418 861037936 /nfs/dbraw/zinc/03/79/36/861037936.db2.gz OTZMXNNJMITKFD-SQJMNOBHSA-N 1 3 393.575 3.519 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H](C)C1 ZINC000481312868 861045817 /nfs/dbraw/zinc/04/58/17/861045817.db2.gz RPVYMTBYHWVQHP-RXVVDRJESA-N 1 3 375.557 3.630 20 0 GHADHO C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529471 861162526 /nfs/dbraw/zinc/16/25/26/861162526.db2.gz JULLFKZPQMQRQN-HOCLYGCPSA-N 1 3 399.373 3.734 20 0 GHADHO C[NH2+]Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000428335466 863769281 /nfs/dbraw/zinc/76/92/81/863769281.db2.gz XXRUJYPIKFADPO-HXUWFJFHSA-N 1 3 391.437 3.799 20 0 GHADHO C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000158526874 863860886 /nfs/dbraw/zinc/86/08/86/863860886.db2.gz RCZNRXMZHLWBLP-CQSZACIVSA-N 1 3 379.335 3.991 20 0 GHADHO CCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@H](C)C1 ZINC000158707201 863923357 /nfs/dbraw/zinc/92/33/57/863923357.db2.gz RNCRJLKOECYHGG-AUSIDOKSSA-N 1 3 379.548 3.745 20 0 GHADHO C[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000667621071 864059611 /nfs/dbraw/zinc/05/96/11/864059611.db2.gz ZDSLPUBMJLIRFM-UPVQGACJSA-N 1 3 380.532 3.808 20 0 GHADHO C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000667621071 864059627 /nfs/dbraw/zinc/05/96/27/864059627.db2.gz ZDSLPUBMJLIRFM-UPVQGACJSA-N 1 3 380.532 3.808 20 0 GHADHO Cc1cc(Br)cc2c1[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000494449565 881738142 /nfs/dbraw/zinc/73/81/42/881738142.db2.gz BUGFGVBECPYIQE-QAPCUYQASA-N 1 3 381.358 3.835 20 0 GHADHO Cc1cc(Br)cc2c1[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000494449565 881738153 /nfs/dbraw/zinc/73/81/53/881738153.db2.gz BUGFGVBECPYIQE-QAPCUYQASA-N 1 3 381.358 3.835 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(Cl)cc4ccccc43)CC2)CC1 ZINC000667642233 864298147 /nfs/dbraw/zinc/29/81/47/864298147.db2.gz TZQNWSODBOEFMA-UHFFFAOYSA-N 1 3 385.939 3.782 20 0 GHADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CCSc3ccccc32)c1 ZINC000163629649 864543874 /nfs/dbraw/zinc/54/38/74/864543874.db2.gz OMEIBDKENRHHRK-NRFANRHFSA-N 1 3 386.561 3.970 20 0 GHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CCSc3ccccc32)c1 ZINC000163629649 864543878 /nfs/dbraw/zinc/54/38/78/864543878.db2.gz OMEIBDKENRHHRK-NRFANRHFSA-N 1 3 386.561 3.970 20 0 GHADHO COc1cc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc(OC)c1O ZINC000554858769 865053214 /nfs/dbraw/zinc/05/32/14/865053214.db2.gz VYHMVJKBHAKXLE-QGZVFWFLSA-N 1 3 384.520 3.931 20 0 GHADHO COc1cc(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc(OC)c1O ZINC000554858769 865053220 /nfs/dbraw/zinc/05/32/20/865053220.db2.gz VYHMVJKBHAKXLE-QGZVFWFLSA-N 1 3 384.520 3.931 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726179 865179030 /nfs/dbraw/zinc/17/90/30/865179030.db2.gz HJRXGZYUHIHKLE-PXNSSMCTSA-N 1 3 377.598 3.902 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726179 865179035 /nfs/dbraw/zinc/17/90/35/865179035.db2.gz HJRXGZYUHIHKLE-PXNSSMCTSA-N 1 3 377.598 3.902 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685438 865554250 /nfs/dbraw/zinc/55/42/50/865554250.db2.gz SCHLSDWQHPDJQY-IFMALSPDSA-N 1 3 386.584 3.587 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685438 865554252 /nfs/dbraw/zinc/55/42/52/865554252.db2.gz SCHLSDWQHPDJQY-IFMALSPDSA-N 1 3 386.584 3.587 20 0 GHADHO CCC(CC)(CNC(=O)Nc1cnc2c(c1)CNCC2)[NH2+][C@H](C)c1ccccc1 ZINC000667795851 865651860 /nfs/dbraw/zinc/65/18/60/865651860.db2.gz RZCYEAQPZNIKRN-QGZVFWFLSA-N 1 3 395.551 3.758 20 0 GHADHO Cc1ccccc1COc1c(C)cc(C[NH2+]CC2(O)CCN(C)CC2)cc1C ZINC000740899230 866088012 /nfs/dbraw/zinc/08/80/12/866088012.db2.gz ZWBCYBDCLDDBPB-UHFFFAOYSA-N 1 3 382.548 3.737 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)CC1 ZINC000153291329 866329312 /nfs/dbraw/zinc/32/93/12/866329312.db2.gz BQYXYCAIMBFWML-XUZZJYLKSA-N 1 3 395.591 3.863 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000456322690 866436471 /nfs/dbraw/zinc/43/64/71/866436471.db2.gz DQWXHCMLLPGYLO-OAQYLSRUSA-N 1 3 391.559 3.877 20 0 GHADHO COc1ccc(COCCN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000553157194 866916976 /nfs/dbraw/zinc/91/69/76/866916976.db2.gz VPFWGMOLVUSUST-QFIPXVFZSA-N 1 3 396.531 3.790 20 0 GHADHO CC(C)(C)OC(=O)c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000154196108 867292076 /nfs/dbraw/zinc/29/20/76/867292076.db2.gz SBKOJNKOFZLTAW-UHFFFAOYSA-N 1 3 388.552 3.719 20 0 GHADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461367 867802762 /nfs/dbraw/zinc/80/27/62/867802762.db2.gz BTPGTLIYLNYKDV-IFMALSPDSA-N 1 3 379.548 3.696 20 0 GHADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461367 867802771 /nfs/dbraw/zinc/80/27/71/867802771.db2.gz BTPGTLIYLNYKDV-IFMALSPDSA-N 1 3 379.548 3.696 20 0 GHADHO CN(C)C[C@@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(F)cc1 ZINC000479759425 868483019 /nfs/dbraw/zinc/48/30/19/868483019.db2.gz NFMAKSZZRSTPDJ-YADHBBJMSA-N 1 3 398.526 3.565 20 0 GHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000157027751 868533541 /nfs/dbraw/zinc/53/35/41/868533541.db2.gz DFEZFHATXVGAMU-LJQANCHMSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000157673107 868729357 /nfs/dbraw/zinc/72/93/57/868729357.db2.gz FRGKQOXPFXRQJD-OALUTQOASA-N 1 3 390.535 3.888 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000157673107 868729363 /nfs/dbraw/zinc/72/93/63/868729363.db2.gz FRGKQOXPFXRQJD-OALUTQOASA-N 1 3 390.535 3.888 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000539825444 869833082 /nfs/dbraw/zinc/83/30/82/869833082.db2.gz SQZJAOMGTJFJOZ-URXFXBBRSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000539825444 869833095 /nfs/dbraw/zinc/83/30/95/869833095.db2.gz SQZJAOMGTJFJOZ-URXFXBBRSA-N 1 3 393.575 3.723 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000462674602 869881817 /nfs/dbraw/zinc/88/18/17/869881817.db2.gz KLXDETGDJHEGBN-GASCZTMLSA-N 1 3 384.467 3.864 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000462674602 869881829 /nfs/dbraw/zinc/88/18/29/869881829.db2.gz KLXDETGDJHEGBN-GASCZTMLSA-N 1 3 384.467 3.864 20 0 GHADHO Cc1cc(C)cc(-c2ccc(C[NH2+]CCCN3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000462750915 870018565 /nfs/dbraw/zinc/01/85/65/870018565.db2.gz RXRYBVWRCWPWDC-QFIPXVFZSA-N 1 3 379.548 3.647 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc(C3CCCC3)cc2)c1 ZINC000462784290 870063895 /nfs/dbraw/zinc/06/38/95/870063895.db2.gz BZJVEALPSLDCIM-UHFFFAOYSA-N 1 3 379.548 3.925 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000462798376 870114192 /nfs/dbraw/zinc/11/41/92/870114192.db2.gz KVFOYJBVPCYATB-TZRRMPRUSA-N 1 3 385.596 3.509 20 0 GHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000540044258 870297601 /nfs/dbraw/zinc/29/76/01/870297601.db2.gz RWZIEJRHSDHKRH-UXHICEINSA-N 1 3 383.580 3.668 20 0 GHADHO COc1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)c1 ZINC000538723175 870426767 /nfs/dbraw/zinc/42/67/67/870426767.db2.gz NNZDRYFOOOALFN-UHFFFAOYSA-N 1 3 394.003 3.977 20 0 GHADHO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)o1 ZINC000538724235 870432100 /nfs/dbraw/zinc/43/21/00/870432100.db2.gz YVOHIBASCORRPD-VGOFRKELSA-N 1 3 385.527 3.852 20 0 GHADHO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)o1 ZINC000538724235 870432123 /nfs/dbraw/zinc/43/21/23/870432123.db2.gz YVOHIBASCORRPD-VGOFRKELSA-N 1 3 385.527 3.852 20 0 GHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248462159 870440419 /nfs/dbraw/zinc/44/04/19/870440419.db2.gz YAHADEGRSFLVOB-GGAORHGYSA-N 1 3 380.532 3.874 20 0 GHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248462159 870440423 /nfs/dbraw/zinc/44/04/23/870440423.db2.gz YAHADEGRSFLVOB-GGAORHGYSA-N 1 3 380.532 3.874 20 0 GHADHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000540148708 870604331 /nfs/dbraw/zinc/60/43/31/870604331.db2.gz AWONYPQHWDEZHW-DHIUTWEWSA-N 1 3 381.568 3.951 20 0 GHADHO Cc1nnc([C@H]2CCCN(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)[nH]1 ZINC001192730448 870622270 /nfs/dbraw/zinc/62/22/70/870622270.db2.gz ILEKCZCCFHVINZ-QFIPXVFZSA-N 1 3 381.568 3.637 20 0 GHADHO CN1CCC(O)(C[NH2+]Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000525401867 870630530 /nfs/dbraw/zinc/63/05/30/870630530.db2.gz LBSIZENIUAGGKB-UHFFFAOYSA-N 1 3 392.902 3.604 20 0 GHADHO FC(F)C(F)(F)COCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000446973733 870833664 /nfs/dbraw/zinc/83/36/64/870833664.db2.gz FGVSPUBTAJPEOC-RCCFBDPRSA-N 1 3 388.449 3.794 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000463126125 870937416 /nfs/dbraw/zinc/93/74/16/870937416.db2.gz YHSNEVCHMBLGFQ-SCDRESIJSA-N 1 3 387.612 3.766 20 0 GHADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CCN1Cc1ccccc1 ZINC000463134450 870979180 /nfs/dbraw/zinc/97/91/80/870979180.db2.gz ZLQKGKYZVYNSMD-SQJMNOBHSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@H](NCc2cccc(CN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134450 870979186 /nfs/dbraw/zinc/97/91/86/870979186.db2.gz ZLQKGKYZVYNSMD-SQJMNOBHSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H]1C[C@H](NCc2cccc(CN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134450 870979189 /nfs/dbraw/zinc/97/91/89/870979189.db2.gz ZLQKGKYZVYNSMD-SQJMNOBHSA-N 1 3 393.575 3.662 20 0 GHADHO C[C@H](c1cccc(Cl)c1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130700663 871113246 /nfs/dbraw/zinc/11/32/46/871113246.db2.gz UGPBKYRAWQVNQA-MRXNPFEDSA-N 1 3 379.976 3.817 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1)N(C)C ZINC000539319861 871682939 /nfs/dbraw/zinc/68/29/39/871682939.db2.gz JSPRRVGKIYJIBJ-VXKWHMMOSA-N 1 3 389.584 3.991 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1)N(C)C ZINC000539319861 871682954 /nfs/dbraw/zinc/68/29/54/871682954.db2.gz JSPRRVGKIYJIBJ-VXKWHMMOSA-N 1 3 389.584 3.991 20 0 GHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCC1=CCCCC1 ZINC000092821421 871849134 /nfs/dbraw/zinc/84/91/34/871849134.db2.gz FTQMLSHRPYSZET-UHFFFAOYSA-N 1 3 384.568 3.627 20 0 GHADHO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821429 871850205 /nfs/dbraw/zinc/85/02/05/871850205.db2.gz XCBPVSNURWXLTQ-SLFFLAALSA-N 1 3 386.584 3.798 20 0 GHADHO Cc1c([C@@H](C)NCCOCC[NH+](C)C)cnn1-c1ccc(Cl)cc1Cl ZINC000447601030 871956212 /nfs/dbraw/zinc/95/62/12/871956212.db2.gz OPFDPOVZFNYUBI-CYBMUJFWSA-N 1 3 385.339 3.716 20 0 GHADHO Cc1cc(C)n2c(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cnc2n1 ZINC000552060012 871958092 /nfs/dbraw/zinc/95/80/92/871958092.db2.gz CYWVWSYFALPTTP-UHFFFAOYSA-N 1 3 389.547 3.834 20 0 GHADHO Clc1ccc(CN2CCC(C[NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169923835 872039035 /nfs/dbraw/zinc/03/90/35/872039035.db2.gz JNJLFUCXXCFMIH-HXUWFJFHSA-N 1 3 378.944 3.827 20 0 GHADHO COc1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(OC)c1O ZINC000552273563 872368247 /nfs/dbraw/zinc/36/82/47/872368247.db2.gz MFAPSAAUTZPDJJ-UHFFFAOYSA-N 1 3 396.531 3.898 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000526982239 872414136 /nfs/dbraw/zinc/41/41/36/872414136.db2.gz LGBVJQAJLDUQFF-APWZRJJASA-N 1 3 381.545 3.600 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000526982239 872414144 /nfs/dbraw/zinc/41/41/44/872414144.db2.gz LGBVJQAJLDUQFF-APWZRJJASA-N 1 3 381.545 3.600 20 0 GHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1)C1CC1 ZINC000552471952 872716224 /nfs/dbraw/zinc/71/62/24/872716224.db2.gz XQVPXJUWRPTBOK-QHCPKHFHSA-N 1 3 395.547 3.712 20 0 GHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1)C1CC1 ZINC000552471952 872716230 /nfs/dbraw/zinc/71/62/30/872716230.db2.gz XQVPXJUWRPTBOK-QHCPKHFHSA-N 1 3 395.547 3.712 20 0 GHADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000464777770 874474541 /nfs/dbraw/zinc/47/45/41/874474541.db2.gz PDQKWKJOVWDKCD-VQTJNVASSA-N 1 3 379.548 3.819 20 0 GHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2nc3c(cccc3F)n2C)CC1 ZINC000449219443 874607582 /nfs/dbraw/zinc/60/75/82/874607582.db2.gz AMTDFQCTLGNRLI-GOSISDBHSA-N 1 3 394.538 3.940 20 0 GHADHO CC(C)[NH+]1CCC(NCc2ccccc2-c2ccc(Cn3cncn3)cc2)CC1 ZINC000542007177 874754911 /nfs/dbraw/zinc/75/49/11/874754911.db2.gz NDRNHLIXODMXOO-UHFFFAOYSA-N 1 3 389.547 3.956 20 0 GHADHO CC1CC[NH+](Cc2ccc(CN[C@H]3CCC4(C[C@H]3F)OCCO4)cc2)CC1 ZINC001199109778 874824470 /nfs/dbraw/zinc/82/44/70/874824470.db2.gz IZLLYXIUZFNOLN-RTWAWAEBSA-N 1 3 376.516 3.642 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486936 882882993 /nfs/dbraw/zinc/88/29/93/882882993.db2.gz RCPLRTCJRHUIRJ-NZQKXSOJSA-N 1 3 389.559 3.617 20 0 GHADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001129486936 882883016 /nfs/dbraw/zinc/88/30/16/882883016.db2.gz RCPLRTCJRHUIRJ-NZQKXSOJSA-N 1 3 389.559 3.617 20 0 GHADHO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000460490545 882935195 /nfs/dbraw/zinc/93/51/95/882935195.db2.gz MSTHOTADJSJGMU-WCIQWLHISA-N 1 3 399.579 3.573 20 0 GHADHO CCOc1c(OC)cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000192934306 883049793 /nfs/dbraw/zinc/04/97/93/883049793.db2.gz NDGJKGVVEWNVJO-IBGZPJMESA-N 1 3 384.520 3.714 20 0 GHADHO CC[NH+](CC)CCOC1CCN(Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000537660717 883057927 /nfs/dbraw/zinc/05/79/27/883057927.db2.gz HRGFFHUMWHPCTL-UHFFFAOYSA-N 1 3 398.595 3.871 20 0 GHADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000786784406 876935985 /nfs/dbraw/zinc/93/59/85/876935985.db2.gz UOIJVWHOOCMCCL-SFHVURJKSA-N 1 3 380.536 3.909 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000642619082 912219846 /nfs/dbraw/zinc/21/98/46/912219846.db2.gz DHABKYBBPWZCQM-FGZHOGPDSA-N 1 3 382.552 3.672 20 0 GHADHO C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248637373 912297139 /nfs/dbraw/zinc/29/71/39/912297139.db2.gz ADWDFJNGNSCBBL-NJNPRVFISA-N 1 3 379.589 3.876 20 0 GHADHO CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@H]3CCN(CCc4ccccc4)C3)C2)C1 ZINC000788586967 878187401 /nfs/dbraw/zinc/18/74/01/878187401.db2.gz HAHXKJSKDFMYIU-HXUWFJFHSA-N 1 3 399.579 3.540 20 0 GHADHO CN1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccccc1 ZINC000245612404 878201643 /nfs/dbraw/zinc/20/16/43/878201643.db2.gz BZEHIXAWUKCRNC-DHIUTWEWSA-N 1 3 392.547 3.527 20 0 GHADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000788669648 878263148 /nfs/dbraw/zinc/26/31/48/878263148.db2.gz FOCJTSQIHKPCKR-ZCNNSNEGSA-N 1 3 381.605 3.980 20 0 GHADHO CN(CCNC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000530689896 878294326 /nfs/dbraw/zinc/29/43/26/878294326.db2.gz QAPQKQKSFIUTFO-MDWZMJQESA-N 1 3 391.559 3.660 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000537962003 878597889 /nfs/dbraw/zinc/59/78/89/878597889.db2.gz HASLCMAODIVSDX-DNVJHFABSA-N 1 3 384.564 3.747 20 0 GHADHO CN1CCN(c2cc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cc3)ccn2)CC1 ZINC000177222677 878605889 /nfs/dbraw/zinc/60/58/89/878605889.db2.gz SPWVQJNUUMIAKS-XMMPIXPASA-N 1 3 390.506 3.852 20 0 GHADHO C[NH+]1CCN(c2cc(CN[C@H](c3ccccc3)c3ccc(F)cc3)ccn2)CC1 ZINC000177222677 878605903 /nfs/dbraw/zinc/60/59/03/878605903.db2.gz SPWVQJNUUMIAKS-XMMPIXPASA-N 1 3 390.506 3.852 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000537975194 878610337 /nfs/dbraw/zinc/61/03/37/878610337.db2.gz FLWXCZPXIWVNAN-GMAHTHKFSA-N 1 3 385.596 3.522 20 0 GHADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)C[C@@H]3NCc4ccccc43)cc2)CC1 ZINC000852808200 878614867 /nfs/dbraw/zinc/61/48/67/878614867.db2.gz NEKDHNIOTLYONF-QHCPKHFHSA-N 1 3 392.547 3.638 20 0 GHADHO COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC3(CCN(C)CC3)Oc3ccccc31)C2 ZINC000538308355 879268764 /nfs/dbraw/zinc/26/87/64/879268764.db2.gz VIKSYIATVRUCPS-NQIIRXRSSA-N 1 3 394.515 3.577 20 0 GHADHO COc1ccc2c(c1)OC[C@H](N[C@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000538308355 879268773 /nfs/dbraw/zinc/26/87/73/879268773.db2.gz VIKSYIATVRUCPS-NQIIRXRSSA-N 1 3 394.515 3.577 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC34CCCCC4)CC2)CC1 ZINC000617108004 879448307 /nfs/dbraw/zinc/44/83/07/879448307.db2.gz IANOGZZCJHPZNX-OAQYLSRUSA-N 1 3 375.601 3.802 20 0 GHADHO O=C1O[C@@]2(CN1CN1C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]31)C[NH+]1CCC2CC1 ZINC000790385970 879657516 /nfs/dbraw/zinc/65/75/16/879657516.db2.gz OPGAQMZYXCBPTD-HYVLGVRCSA-N 1 3 395.547 3.519 20 0 GHADHO O[C@H](Cc1ccccc1C(F)(F)F)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246529181 879658776 /nfs/dbraw/zinc/65/87/76/879658776.db2.gz CMHBTXRGZRXHQG-HQRMLTQVSA-N 1 3 382.470 3.558 20 0 GHADHO O[C@H](Cc1ccccc1C(F)(F)F)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246529181 879658783 /nfs/dbraw/zinc/65/87/83/879658783.db2.gz CMHBTXRGZRXHQG-HQRMLTQVSA-N 1 3 382.470 3.558 20 0 GHADHO CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4CCN(C)C[C@H]43)c2)CC1 ZINC000493957798 879773378 /nfs/dbraw/zinc/77/33/78/879773378.db2.gz JGWPSAISNLAHFL-RBBKRZOGSA-N 1 3 384.568 3.519 20 0 GHADHO C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000494000021 879803914 /nfs/dbraw/zinc/80/39/14/879803914.db2.gz NWZWAQMBZONCLL-AUSIDOKSSA-N 1 3 377.532 3.675 20 0 GHADHO C[C@@H]1[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CCN1Cc1ccccc1 ZINC000494027651 879838823 /nfs/dbraw/zinc/83/88/23/879838823.db2.gz NNIVYYUZQVFALT-AUSIDOKSSA-N 1 3 377.532 3.675 20 0 GHADHO CC(C)[NH+]1CCC(N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000119911306 881213951 /nfs/dbraw/zinc/21/39/51/881213951.db2.gz LUKNWKQFAKYEJW-HNNXBMFYSA-N 1 3 390.881 3.795 20 0 GHADHO C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001170275785 881291485 /nfs/dbraw/zinc/29/14/85/881291485.db2.gz XOVCBQGYFNLRKT-NQSCKRDGSA-N 1 3 376.972 3.951 20 0 GHADHO C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001170275785 881291499 /nfs/dbraw/zinc/29/14/99/881291499.db2.gz XOVCBQGYFNLRKT-NQSCKRDGSA-N 1 3 376.972 3.951 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000194420459 883813659 /nfs/dbraw/zinc/81/36/59/883813659.db2.gz QIWVRTWYBZCVCS-UHFFFAOYSA-N 1 3 377.554 3.974 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000194420459 883813668 /nfs/dbraw/zinc/81/36/68/883813668.db2.gz QIWVRTWYBZCVCS-UHFFFAOYSA-N 1 3 377.554 3.974 20 0 GHADHO CC[C@@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496360 884284632 /nfs/dbraw/zinc/28/46/32/884284632.db2.gz IJBXASUSHUBPMV-REPLKXPHSA-N 1 3 379.589 3.971 20 0 GHADHO C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495072095 884483800 /nfs/dbraw/zinc/48/38/00/884483800.db2.gz ZXAJDTOHXRUZMT-VWNXMTODSA-N 1 3 399.623 3.769 20 0 GHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000495088275 884516494 /nfs/dbraw/zinc/51/64/94/884516494.db2.gz UUQQLFADUNOQLR-GOSISDBHSA-N 1 3 383.536 3.570 20 0 GHADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000250049237 884535479 /nfs/dbraw/zinc/53/54/79/884535479.db2.gz VVIKVGCDGGXQDB-RTBURBONSA-N 1 3 392.613 3.552 20 0 GHADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000250049237 884535485 /nfs/dbraw/zinc/53/54/85/884535485.db2.gz VVIKVGCDGGXQDB-RTBURBONSA-N 1 3 392.613 3.552 20 0 GHADHO CN(C)C(=O)C1CC[NH+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC000637863388 884812076 /nfs/dbraw/zinc/81/20/76/884812076.db2.gz AUJXMUUDZIQANM-XMMPIXPASA-N 1 3 385.596 3.725 20 0 GHADHO CC[NH+]1CCC(N(C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000106388615 885050205 /nfs/dbraw/zinc/05/02/05/885050205.db2.gz GUCFJUKDLXWBLU-DQEYMECFSA-N 1 3 396.575 3.878 20 0 GHADHO CN(CCCN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)Cc1ccco1 ZINC000455873379 885064059 /nfs/dbraw/zinc/06/40/59/885064059.db2.gz ZNWPCYPNRQRYQS-OAQYLSRUSA-N 1 3 384.524 3.814 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN1CCC(C)CC1 ZINC000532455007 885527155 /nfs/dbraw/zinc/52/71/55/885527155.db2.gz RBTCSWRAZAHAIN-SFHVURJKSA-N 1 3 379.976 3.789 20 0 GHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[NH+]1CCC(C)CC1 ZINC000532455007 885527171 /nfs/dbraw/zinc/52/71/71/885527171.db2.gz RBTCSWRAZAHAIN-SFHVURJKSA-N 1 3 379.976 3.789 20 0 GHADHO CC(C)C[NH+]1CCC(N[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000131214127 885668305 /nfs/dbraw/zinc/66/83/05/885668305.db2.gz QWVKSGCZTIUECX-QGZVFWFLSA-N 1 3 379.976 3.787 20 0 GHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000171131200 885744034 /nfs/dbraw/zinc/74/40/34/885744034.db2.gz VJZRHOOQQVULKJ-GOSISDBHSA-N 1 3 397.519 3.825 20 0 GHADHO Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)c(C)n2n1 ZINC000495433364 885756784 /nfs/dbraw/zinc/75/67/84/885756784.db2.gz NSNPLOOFDKMRDM-BBTUJRGHSA-N 1 3 377.536 3.907 20 0 GHADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678818 885849695 /nfs/dbraw/zinc/84/96/95/885849695.db2.gz UYOGEDXTXKWISV-FSSWDIPSSA-N 1 3 397.563 3.732 20 0 GHADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678818 885849705 /nfs/dbraw/zinc/84/97/05/885849705.db2.gz UYOGEDXTXKWISV-FSSWDIPSSA-N 1 3 397.563 3.732 20 0 GHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867509 886384172 /nfs/dbraw/zinc/38/41/72/886384172.db2.gz FELWXBNINRNOPY-ZJOUEHCJSA-N 1 3 375.520 3.971 20 0 GHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867509 886384191 /nfs/dbraw/zinc/38/41/91/886384191.db2.gz FELWXBNINRNOPY-ZJOUEHCJSA-N 1 3 375.520 3.971 20 0 GHADHO COc1cccc([C@H](O)C2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)c1 ZINC000862543219 886455529 /nfs/dbraw/zinc/45/55/29/886455529.db2.gz FORVNYBBBGMOQK-XMMPIXPASA-N 1 3 398.547 3.581 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc(C2CC2)s1 ZINC000537620154 886755385 /nfs/dbraw/zinc/75/53/85/886755385.db2.gz ORIOQYBZWMDIDI-UHFFFAOYSA-N 1 3 376.614 3.649 20 0 GHADHO C[C@@H]1CN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000644160924 913079732 /nfs/dbraw/zinc/07/97/32/913079732.db2.gz KSZFGCMSJBKVKI-NZQKXSOJSA-N 1 3 398.595 3.729 20 0 GHADHO C[C@@H]1CN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000644160924 913079746 /nfs/dbraw/zinc/07/97/46/913079746.db2.gz KSZFGCMSJBKVKI-NZQKXSOJSA-N 1 3 398.595 3.729 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000863635073 887252093 /nfs/dbraw/zinc/25/20/93/887252093.db2.gz GNDNRIDRPLLACR-OAQYLSRUSA-N 1 3 389.971 3.640 20 0 GHADHO Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000132814553 887703449 /nfs/dbraw/zinc/70/34/49/887703449.db2.gz BLNHLEKTRDJTSH-DJJJIMSYSA-N 1 3 397.332 3.666 20 0 GHADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000051758968 887783128 /nfs/dbraw/zinc/78/31/28/887783128.db2.gz LXJLBWAUYSVQHP-FQEVSTJZSA-N 1 3 392.975 3.649 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000454260094 887791683 /nfs/dbraw/zinc/79/16/83/887791683.db2.gz PKBKFQYJINWRPU-HXUWFJFHSA-N 1 3 386.565 3.895 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000054719187 888034626 /nfs/dbraw/zinc/03/46/26/888034626.db2.gz NOOKZRZPXRPICG-RZUBCFFCSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000054719187 888034632 /nfs/dbraw/zinc/03/46/32/888034632.db2.gz NOOKZRZPXRPICG-RZUBCFFCSA-N 1 3 386.584 3.776 20 0 GHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000123529748 889322076 /nfs/dbraw/zinc/32/20/76/889322076.db2.gz HGCJHFQPQJGPEN-UHFFFAOYSA-N 1 3 397.485 3.723 20 0 GHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000125728592 890102071 /nfs/dbraw/zinc/10/20/71/890102071.db2.gz XFUDNRIIXRVLSA-HKUYNNGSSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000125728592 890102075 /nfs/dbraw/zinc/10/20/75/890102075.db2.gz XFUDNRIIXRVLSA-HKUYNNGSSA-N 1 3 379.976 3.787 20 0 GHADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000125728592 890102084 /nfs/dbraw/zinc/10/20/84/890102084.db2.gz XFUDNRIIXRVLSA-HKUYNNGSSA-N 1 3 379.976 3.787 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)N(C)C)cc1 ZINC000065467371 890478484 /nfs/dbraw/zinc/47/84/84/890478484.db2.gz CNILQRPLRGDASO-PKTZIBPZSA-N 1 3 394.563 3.734 20 0 GHADHO CC(C)[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1cc2ccccc2o1 ZINC000873242818 891545082 /nfs/dbraw/zinc/54/50/82/891545082.db2.gz FMQSFKWWDVVLRS-QFIPXVFZSA-N 1 3 375.476 3.959 20 0 GHADHO Cc1cc2cc([C@@H](C)[NH2+]Cc3cccc(-n4cc(CN)nn4)c3)oc2cc1C ZINC000873247492 891548605 /nfs/dbraw/zinc/54/86/05/891548605.db2.gz OBIMFNIFSYBLPM-MRXNPFEDSA-N 1 3 375.476 3.940 20 0 GHADHO O[C@@H](CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)c(F)c1 ZINC000813370644 891555231 /nfs/dbraw/zinc/55/52/31/891555231.db2.gz IDSIOJCCAGCCGA-QFIPXVFZSA-N 1 3 386.486 3.986 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000162161497 892080295 /nfs/dbraw/zinc/08/02/95/892080295.db2.gz ASOWJGPWRGHDSQ-LJQANCHMSA-N 1 3 375.520 3.891 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)c1ccccc1 ZINC000825796209 892639056 /nfs/dbraw/zinc/63/90/56/892639056.db2.gz ZMLWZGXFCUWWCC-RTBURBONSA-N 1 3 388.943 3.633 20 0 GHADHO C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508700449 892669979 /nfs/dbraw/zinc/66/99/79/892669979.db2.gz UJGQIARTOWWKDN-AJSBUHFISA-N 1 3 379.548 3.706 20 0 GHADHO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCc2sccc2C1 ZINC000508708983 892803296 /nfs/dbraw/zinc/80/32/96/892803296.db2.gz FNOOQEJRYUFPGF-ZJOUEHCJSA-N 1 3 383.605 3.995 20 0 GHADHO c1cnn(-c2ccccc2C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)c1 ZINC001137098302 892873794 /nfs/dbraw/zinc/87/37/94/892873794.db2.gz UUMJMFMLKYFJEX-UHFFFAOYSA-N 1 3 376.504 3.953 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@H](C)C1 ZINC000162628114 892895613 /nfs/dbraw/zinc/89/56/13/892895613.db2.gz RPVYMTBYHWVQHP-WIYYLYMNSA-N 1 3 375.557 3.630 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877033856 893449458 /nfs/dbraw/zinc/44/94/58/893449458.db2.gz PRCOHPPGMKPQBI-CTUHWIOQSA-N 1 3 396.531 3.695 20 0 GHADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877033856 893449470 /nfs/dbraw/zinc/44/94/70/893449470.db2.gz PRCOHPPGMKPQBI-CTUHWIOQSA-N 1 3 396.531 3.695 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C(C)(C)c1ccccc1 ZINC000536856751 893945292 /nfs/dbraw/zinc/94/52/92/893945292.db2.gz HODJFIBWODABNT-HXUWFJFHSA-N 1 3 393.575 3.968 20 0 GHADHO CN(C)[C@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccsc1 ZINC000537166594 894477007 /nfs/dbraw/zinc/47/70/07/894477007.db2.gz RFCAEZYERMVTLA-WOJBJXKFSA-N 1 3 385.577 3.929 20 0 GHADHO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c(CN(C)C)c1 ZINC000645444061 913900979 /nfs/dbraw/zinc/90/09/79/913900979.db2.gz IVKOSFSJJHRSOJ-HZPDHXFCSA-N 1 3 385.474 3.904 20 0 GHADHO Cc1ccc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c(CN(C)C)c1 ZINC000645444061 913900983 /nfs/dbraw/zinc/90/09/83/913900983.db2.gz IVKOSFSJJHRSOJ-HZPDHXFCSA-N 1 3 385.474 3.904 20 0 GHADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000564293412 894828350 /nfs/dbraw/zinc/82/83/50/894828350.db2.gz LBBBHGDCEDQHPY-IBGZPJMESA-N 1 3 385.577 3.712 20 0 GHADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000564293412 894828357 /nfs/dbraw/zinc/82/83/57/894828357.db2.gz LBBBHGDCEDQHPY-IBGZPJMESA-N 1 3 385.577 3.712 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000565547838 895714088 /nfs/dbraw/zinc/71/40/88/895714088.db2.gz DIOLZZSRYLUXID-NYVOZVTQSA-N 1 3 375.601 3.610 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]CC2)Nc1ccccc1 ZINC000565780344 895870890 /nfs/dbraw/zinc/87/08/90/895870890.db2.gz RHMLYLBLWQTKFJ-QFIPXVFZSA-N 1 3 378.520 3.509 20 0 GHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)c1c(F)cccc1Cl ZINC000817916686 895960562 /nfs/dbraw/zinc/96/05/62/895960562.db2.gz ANKSNEGNOYYOGE-IGKBFHKKSA-N 1 3 390.886 3.747 20 0 GHADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)c2)CC1 ZINC000565890789 895961491 /nfs/dbraw/zinc/96/14/91/895961491.db2.gz ZQCLYDAGLIAIHC-JOCHJYFZSA-N 1 3 380.536 3.636 20 0 GHADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817982634 895991442 /nfs/dbraw/zinc/99/14/42/895991442.db2.gz USSKNFPATGXTSQ-KSSFIOAISA-N 1 3 382.476 3.814 20 0 GHADHO COc1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1OC ZINC000566010412 896045268 /nfs/dbraw/zinc/04/52/68/896045268.db2.gz SLUUBRYWUFAXPB-SJORKVTESA-N 1 3 387.549 3.649 20 0 GHADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CNCc4ccccc43)c2)CC1 ZINC000567232190 896992113 /nfs/dbraw/zinc/99/21/13/896992113.db2.gz HGSZMDPQEXNIBW-HSZRJFAPSA-N 1 3 377.532 3.787 20 0 GHADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000568144251 897633139 /nfs/dbraw/zinc/63/31/39/897633139.db2.gz ANNCHUKYTWZOHX-AZUAARDMSA-N 1 3 393.531 3.970 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)N1CCCCCC1 ZINC000132577466 897834006 /nfs/dbraw/zinc/83/40/06/897834006.db2.gz BCFQJLHEYXMANY-IBGZPJMESA-N 1 3 386.584 3.668 20 0 GHADHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000568499368 897892798 /nfs/dbraw/zinc/89/27/98/897892798.db2.gz MMYWBNPAWOGIHL-YYDVJCTNSA-N 1 3 380.488 3.754 20 0 GHADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000289475677 914204009 /nfs/dbraw/zinc/20/40/09/914204009.db2.gz JMLOZKSUNVPMCG-MOKGIYGOSA-N 1 3 380.479 3.782 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000569016983 898278402 /nfs/dbraw/zinc/27/84/02/898278402.db2.gz HWZRDGHAVCURFA-UHFFFAOYSA-N 1 3 385.596 3.797 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3/C=C\c3ccccc3)CC2)CC1 ZINC000569824568 898970365 /nfs/dbraw/zinc/97/03/65/898970365.db2.gz UVKREFRYTLPMAQ-QROQDFCZSA-N 1 3 395.591 3.887 20 0 GHADHO CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)N(C)C)cc1 ZINC000570055741 899095030 /nfs/dbraw/zinc/09/50/30/899095030.db2.gz GCVLUFZZPDGNIM-QHCPKHFHSA-N 1 3 397.563 3.611 20 0 GHADHO c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210995 899196445 /nfs/dbraw/zinc/19/64/45/899196445.db2.gz QEMWIYDROMRXRZ-XZOQPEGZSA-N 1 3 376.548 3.636 20 0 GHADHO c1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210995 899196454 /nfs/dbraw/zinc/19/64/54/899196454.db2.gz QEMWIYDROMRXRZ-XZOQPEGZSA-N 1 3 376.548 3.636 20 0 GHADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000824383930 899576475 /nfs/dbraw/zinc/57/64/75/899576475.db2.gz WNOHEVMEUMSUNC-MOPGFXCFSA-N 1 3 385.552 3.551 20 0 GHADHO C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824529471 899660853 /nfs/dbraw/zinc/66/08/53/899660853.db2.gz GMOBNDBPGYGZKF-IRXDYDNUSA-N 1 3 390.535 3.915 20 0 GHADHO C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824529471 899660860 /nfs/dbraw/zinc/66/08/60/899660860.db2.gz GMOBNDBPGYGZKF-IRXDYDNUSA-N 1 3 390.535 3.915 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccc(OC)nc4)CC3)CC2)c1 ZINC001137034388 900157072 /nfs/dbraw/zinc/15/70/72/900157072.db2.gz LBKNGDNTLKFXAM-UHFFFAOYSA-N 1 3 395.547 3.977 20 0 GHADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)O2 ZINC000886769039 901262435 /nfs/dbraw/zinc/26/24/35/901262435.db2.gz NXONZCDQWNZYOX-IYGMGBCSSA-N 1 3 384.564 3.602 20 0 GHADHO COC[C@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)[C@@H]1CCCOC1 ZINC000886789328 901276446 /nfs/dbraw/zinc/27/64/46/901276446.db2.gz SEMFNOLZTOXABW-UZKOGDIHSA-N 1 3 390.568 3.773 20 0 GHADHO C[S@](=O)Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000576179500 901763212 /nfs/dbraw/zinc/76/32/12/901763212.db2.gz MXXURZMZQNRHNU-MUCKBHKGSA-N 1 3 396.600 3.955 20 0 GHADHO C[S@](=O)Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000576179500 901763222 /nfs/dbraw/zinc/76/32/22/901763222.db2.gz MXXURZMZQNRHNU-MUCKBHKGSA-N 1 3 396.600 3.955 20 0 GHADHO C[C@H]1[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CCN1Cc1ccccc1 ZINC000576667043 902173041 /nfs/dbraw/zinc/17/30/41/902173041.db2.gz ARKXCSADPAKYHB-RXVVDRJESA-N 1 3 380.536 3.575 20 0 GHADHO Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000576703104 902203097 /nfs/dbraw/zinc/20/30/97/902203097.db2.gz APZVXDKBWVGYFZ-QKLQHJQFSA-N 1 3 378.944 3.719 20 0 GHADHO COc1ccc(Oc2ccc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2)cc1 ZINC000576703659 902204137 /nfs/dbraw/zinc/20/41/37/902204137.db2.gz LQMBJFAXUPSBHQ-IBGZPJMESA-N 1 3 382.504 3.675 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000779016169 902880654 /nfs/dbraw/zinc/88/06/54/902880654.db2.gz ZNEVRGCEJQIZLY-BWAGFHJFSA-N 1 3 399.579 3.854 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000779016169 902880669 /nfs/dbraw/zinc/88/06/69/902880669.db2.gz ZNEVRGCEJQIZLY-BWAGFHJFSA-N 1 3 399.579 3.854 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646575703 914686759 /nfs/dbraw/zinc/68/67/59/914686759.db2.gz ZETKPHCOMGZVGM-LEWJYISDSA-N 1 3 397.588 3.881 20 0 GHADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000132640475 903289427 /nfs/dbraw/zinc/28/94/27/903289427.db2.gz SXWRBMRYFSICGD-QHCPKHFHSA-N 1 3 380.532 3.955 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(-c4ncc[nH]4)ccc3C)CC2)CC1 ZINC000578246636 903649632 /nfs/dbraw/zinc/64/96/32/903649632.db2.gz XARIATRBIFDYJQ-UHFFFAOYSA-N 1 3 395.551 3.520 20 0 GHADHO [NH3+]C[C@H]1CN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC12CCOCC2 ZINC000578506634 903915153 /nfs/dbraw/zinc/91/51/53/903915153.db2.gz TUFQSHJKVRJQAJ-ILHLOOHCSA-N 1 3 392.543 3.966 20 0 GHADHO CSc1ccc(OC[C@@H](O)CNCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000578979676 904275041 /nfs/dbraw/zinc/27/50/41/904275041.db2.gz JHRHOEWLMPEIHZ-FQEVSTJZSA-N 1 3 386.561 3.534 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000579490681 904648320 /nfs/dbraw/zinc/64/83/20/904648320.db2.gz DRIBPKUAEDQMDR-UHFFFAOYSA-N 1 3 393.522 3.512 20 0 GHADHO Fc1cc2c(c(F)c1F)C[C@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)CC2 ZINC001171522511 904801487 /nfs/dbraw/zinc/80/14/87/904801487.db2.gz WWRQBFGQKLWKIW-QGZVFWFLSA-N 1 3 389.465 3.858 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](N2CCC([NH+]3CCC3)CC2)C[C@H]1C(C)(C)C ZINC001171614402 904877768 /nfs/dbraw/zinc/87/77/68/904877768.db2.gz BBQVZONMVAIUSZ-OALUTQOASA-N 1 3 379.589 3.971 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)CC1(C)C ZINC001171637388 904925314 /nfs/dbraw/zinc/92/53/14/904925314.db2.gz LWQLGLNUKUFVQA-UHFFFAOYSA-N 1 3 379.552 3.591 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)CC1(C)C ZINC001171637388 904925336 /nfs/dbraw/zinc/92/53/36/904925336.db2.gz LWQLGLNUKUFVQA-UHFFFAOYSA-N 1 3 379.552 3.591 20 0 GHADHO CN1C(=O)C2(CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)[C@H]1c1ccccc1 ZINC001171636598 904926413 /nfs/dbraw/zinc/92/64/13/904926413.db2.gz GHCALTOCNNNVBZ-HXUWFJFHSA-N 1 3 383.580 3.933 20 0 GHADHO CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001171875111 905079146 /nfs/dbraw/zinc/07/91/46/905079146.db2.gz CBECIBIAOHEWLR-ILBGXUMGSA-N 1 3 393.575 3.893 20 0 GHADHO CC[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001171875111 905079167 /nfs/dbraw/zinc/07/91/67/905079167.db2.gz CBECIBIAOHEWLR-ILBGXUMGSA-N 1 3 393.575 3.893 20 0 GHADHO CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCN1Cc1ccccc1 ZINC001171980551 905232190 /nfs/dbraw/zinc/23/21/90/905232190.db2.gz VRXNKSUQHIPJIM-LJQANCHMSA-N 1 3 379.504 3.550 20 0 GHADHO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCS1 ZINC001172087081 905302544 /nfs/dbraw/zinc/30/25/44/905302544.db2.gz JHRKUEFQVUNVCY-WOZUAGRISA-N 1 3 388.577 3.553 20 0 GHADHO CCOC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCS1 ZINC001172087081 905302559 /nfs/dbraw/zinc/30/25/59/905302559.db2.gz JHRKUEFQVUNVCY-WOZUAGRISA-N 1 3 388.577 3.553 20 0 GHADHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OCc1c(C)noc1C ZINC000174598610 905306307 /nfs/dbraw/zinc/30/63/07/905306307.db2.gz SVSVFKNTXMPEHB-IHWFROFDSA-N 1 3 399.535 3.984 20 0 GHADHO COCCN(C)[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Cl)cc1 ZINC001172115745 905369047 /nfs/dbraw/zinc/36/90/47/905369047.db2.gz ZUYXDLQMLXUAAH-MXEMCNAFSA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172115745 905369062 /nfs/dbraw/zinc/36/90/62/905369062.db2.gz ZUYXDLQMLXUAAH-MXEMCNAFSA-N 1 3 379.976 3.564 20 0 GHADHO COCCN(C)[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115745 905369080 /nfs/dbraw/zinc/36/90/80/905369080.db2.gz ZUYXDLQMLXUAAH-MXEMCNAFSA-N 1 3 379.976 3.564 20 0 GHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001172605367 905665577 /nfs/dbraw/zinc/66/55/77/905665577.db2.gz OYZZPMKKQLUJMR-IEBWSBKVSA-N 1 3 378.944 3.873 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826511 905856509 /nfs/dbraw/zinc/85/65/09/905856509.db2.gz CITVDYVKAMKIDW-NZQKXSOJSA-N 1 3 384.564 3.592 20 0 GHADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826511 905856524 /nfs/dbraw/zinc/85/65/24/905856524.db2.gz CITVDYVKAMKIDW-NZQKXSOJSA-N 1 3 384.564 3.592 20 0 GHADHO CCOC(=O)C[C@H]1CC[C@@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001173635812 906588362 /nfs/dbraw/zinc/58/83/62/906588362.db2.gz WWMZKPIRVHDNSA-FUHWJXTLSA-N 1 3 378.944 3.798 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000182264516 907173276 /nfs/dbraw/zinc/17/32/76/907173276.db2.gz LJUQEIOWUUPQSG-RBBKRZOGSA-N 1 3 378.516 3.789 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000182264516 907173284 /nfs/dbraw/zinc/17/32/84/907173284.db2.gz LJUQEIOWUUPQSG-RBBKRZOGSA-N 1 3 378.516 3.789 20 0 GHADHO CCN1CCN(Cc2ccc(Nc3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC001176228202 907994579 /nfs/dbraw/zinc/99/45/79/907994579.db2.gz ZMGKRPKOFSKNML-UHFFFAOYSA-N 1 3 382.552 3.508 20 0 GHADHO Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cnc1Cl ZINC001177749504 908735265 /nfs/dbraw/zinc/73/52/65/908735265.db2.gz XAAHZGSNGKKJRY-HNNXBMFYSA-N 1 3 376.907 3.785 20 0 GHADHO COCc1cccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000266182601 909029339 /nfs/dbraw/zinc/02/93/39/909029339.db2.gz GOXONFAIDVLLKY-UHFFFAOYSA-N 1 3 398.547 3.612 20 0 GHADHO COCc1cccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000266182601 909029362 /nfs/dbraw/zinc/02/93/62/909029362.db2.gz GOXONFAIDVLLKY-UHFFFAOYSA-N 1 3 398.547 3.612 20 0 GHADHO CN(Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1)C1CCCCC1 ZINC000634954968 909090524 /nfs/dbraw/zinc/09/05/24/909090524.db2.gz TZUIRXJLGYJISZ-FQEVSTJZSA-N 1 3 378.582 3.508 20 0 GHADHO C[C@@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268774016 910008832 /nfs/dbraw/zinc/00/88/32/910008832.db2.gz NACJHANLROFEFC-LJQANCHMSA-N 1 3 382.552 3.863 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CCN(Cc2ccccc2)C1 ZINC001180194542 910029992 /nfs/dbraw/zinc/02/99/92/910029992.db2.gz GNVRLMXHNKKKSX-OFVILXPXSA-N 1 3 397.607 3.915 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CCN(Cc2ccccc2)C1 ZINC001180194542 910030005 /nfs/dbraw/zinc/03/00/05/910030005.db2.gz GNVRLMXHNKKKSX-OFVILXPXSA-N 1 3 397.607 3.915 20 0 GHADHO O=C1OCCN1c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000774132748 911434540 /nfs/dbraw/zinc/43/45/40/911434540.db2.gz BAFHDEAKJWKYDJ-MUSUJDOFSA-N 1 3 391.515 3.928 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC4CCC5(CC4)OCCO5)[C@@H]3C2)cc1 ZINC000774389881 911731944 /nfs/dbraw/zinc/73/19/44/911731944.db2.gz CLAMFEXEPFCJQX-ZRBLBEILSA-N 1 3 384.564 3.810 20 0 GHADHO CC(C)(C)[C@@]1(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182471458 911790451 /nfs/dbraw/zinc/79/04/51/911790451.db2.gz XZZLKOLNAYVUKO-FYYLOGMGSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@@]1(C[N@H+]2CCC[C@@H](n3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC001182471458 911790457 /nfs/dbraw/zinc/79/04/57/911790457.db2.gz XZZLKOLNAYVUKO-FYYLOGMGSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@@]1(CN2CCC[C@@H](n3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001182471458 911790463 /nfs/dbraw/zinc/79/04/63/911790463.db2.gz XZZLKOLNAYVUKO-FYYLOGMGSA-N 1 3 381.568 3.853 20 0 GHADHO CC(C)(C)[C@@]1(CN2CCC[C@@H](n3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182471458 911790472 /nfs/dbraw/zinc/79/04/72/911790472.db2.gz XZZLKOLNAYVUKO-FYYLOGMGSA-N 1 3 381.568 3.853 20 0 GHADHO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647343919 915164867 /nfs/dbraw/zinc/16/48/67/915164867.db2.gz FVMJMDLIKUFNPS-PERKRYKHSA-N 1 3 381.520 3.650 20 0 GHADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000647977210 915460518 /nfs/dbraw/zinc/46/05/18/915460518.db2.gz ZKPULEQIAOVTCP-RAUXBKROSA-N 1 3 383.536 3.710 20 0 GHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000648483491 915715491 /nfs/dbraw/zinc/71/54/91/915715491.db2.gz DQIVUECPTHIJIE-AUSIDOKSSA-N 1 3 383.580 3.605 20 0 GHADHO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000650046630 916673000 /nfs/dbraw/zinc/67/30/00/916673000.db2.gz KAUOZRBRJMIHOI-ULQDDVLXSA-N 1 3 384.442 3.644 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295081690 917130095 /nfs/dbraw/zinc/13/00/95/917130095.db2.gz SCYZNEWGCBSWCG-OHRKKDJYSA-N 1 3 385.430 3.517 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295081690 917130102 /nfs/dbraw/zinc/13/01/02/917130102.db2.gz SCYZNEWGCBSWCG-OHRKKDJYSA-N 1 3 385.430 3.517 20 0 GHADHO CNc1ccccc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000902183814 921961864 /nfs/dbraw/zinc/96/18/64/921961864.db2.gz KRINEIGROXSCHK-UHFFFAOYSA-N 1 3 383.536 3.508 20 0 GHADHO CNc1ccccc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000902183814 921961872 /nfs/dbraw/zinc/96/18/72/921961872.db2.gz KRINEIGROXSCHK-UHFFFAOYSA-N 1 3 383.536 3.508 20 0 GHADHO [NH3+]CCCC[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)cc1F ZINC000902344058 922105795 /nfs/dbraw/zinc/10/57/95/922105795.db2.gz AURMBBHHBPDQJX-DNVCBOLYSA-N 1 3 378.442 3.538 20 0 GHADHO c1ccc(CC[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000902808239 922510084 /nfs/dbraw/zinc/51/00/84/922510084.db2.gz GKNXJENQSLFKSK-URXFXBBRSA-N 1 3 379.548 3.846 20 0 GHADHO COc1ccccc1-c1noc(C2CC[NH+](CC[C@H]3CCCCN3C)CC2)n1 ZINC000368434278 922670791 /nfs/dbraw/zinc/67/07/91/922670791.db2.gz ORYBRNUOJCJTPD-GOSISDBHSA-N 1 3 384.524 3.799 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147297 922808571 /nfs/dbraw/zinc/80/85/71/922808571.db2.gz GVLQKHUFWOGWRK-XUZZJYLKSA-N 1 3 398.522 3.650 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147297 922808579 /nfs/dbraw/zinc/80/85/79/922808579.db2.gz GVLQKHUFWOGWRK-XUZZJYLKSA-N 1 3 398.522 3.650 20 0 GHADHO c1nnc([C@@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455220 923035953 /nfs/dbraw/zinc/03/59/53/923035953.db2.gz JTNNUOKDSZRUHR-AFXVXQJMSA-N 1 3 387.531 3.784 20 0 GHADHO c1nnc([C@@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455220 923035967 /nfs/dbraw/zinc/03/59/67/923035967.db2.gz JTNNUOKDSZRUHR-AFXVXQJMSA-N 1 3 387.531 3.784 20 0 GHADHO COc1ccccc1-c1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370709941 924270137 /nfs/dbraw/zinc/27/01/37/924270137.db2.gz LABPMOKQPGUGNA-YKSBVNFPSA-N 1 3 393.575 3.820 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(-n4ccnn4)cc3)C[C@@H]21 ZINC001137364977 925040797 /nfs/dbraw/zinc/04/07/97/925040797.db2.gz ACUKGQLMNQOLBI-HJOGWXRNSA-N 1 3 387.531 3.878 20 0 GHADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(-n4ccnn4)cc3)C[C@@H]21 ZINC001137364977 925040807 /nfs/dbraw/zinc/04/08/07/925040807.db2.gz ACUKGQLMNQOLBI-HJOGWXRNSA-N 1 3 387.531 3.878 20 0 GHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ncccc13)CC2 ZINC001137399027 925378233 /nfs/dbraw/zinc/37/82/33/925378233.db2.gz ICEJUHVGEODCNW-GOSISDBHSA-N 1 3 396.560 3.880 20 0 GHADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000467338129 928973497 /nfs/dbraw/zinc/97/34/97/928973497.db2.gz IFBVYBSSFZHQCN-DNQXCXABSA-N 1 3 392.591 3.953 20 0 GHADHO CC[N@H+](CCC1CCN(Cc2cc(-c3cnn(C)c3C)no2)CC1)CC(C)C ZINC000467455502 929088227 /nfs/dbraw/zinc/08/82/27/929088227.db2.gz IGVCCJATFBRMDM-UHFFFAOYSA-N 1 3 387.572 3.964 20 0 GHADHO CC[N@@H+](CCC1CCN(Cc2cc(-c3cnn(C)c3C)no2)CC1)CC(C)C ZINC000467455502 929088236 /nfs/dbraw/zinc/08/82/36/929088236.db2.gz IGVCCJATFBRMDM-UHFFFAOYSA-N 1 3 387.572 3.964 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CN1Cc1ccccc1 ZINC000467689362 929305281 /nfs/dbraw/zinc/30/52/81/929305281.db2.gz TWAGICHAQFHWII-WMZHIEFXSA-N 1 3 377.532 3.675 20 0 GHADHO CCN1CCN(CCC[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546164165 929919714 /nfs/dbraw/zinc/91/97/14/929919714.db2.gz ZOUVHRVKMRAVSN-JOCHJYFZSA-N 1 3 386.971 3.636 20 0 GHADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000470296567 930515610 /nfs/dbraw/zinc/51/56/10/930515610.db2.gz FEVSJGJZPFZWNP-QRVBRYPASA-N 1 3 387.568 3.576 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739457 930873997 /nfs/dbraw/zinc/87/39/97/930873997.db2.gz BBYXDSAVXTXUIK-QUCCMNQESA-N 1 3 392.613 3.504 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739457 930874005 /nfs/dbraw/zinc/87/40/05/930874005.db2.gz BBYXDSAVXTXUIK-QUCCMNQESA-N 1 3 392.613 3.504 20 0 GHADHO CC(C)[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000557576214 931554146 /nfs/dbraw/zinc/55/41/46/931554146.db2.gz LQXTWEGQAMROOA-HXUWFJFHSA-N 1 3 397.485 3.735 20 0 GHADHO C[N@@H+]1CCCN(CCCN[C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924965238 931597401 /nfs/dbraw/zinc/59/74/01/931597401.db2.gz HYPJZCPPNPXVPN-HSZRJFAPSA-N 1 3 378.520 3.534 20 0 GHADHO C[N@H+]1CCCN(CCCN[C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924965238 931597405 /nfs/dbraw/zinc/59/74/05/931597405.db2.gz HYPJZCPPNPXVPN-HSZRJFAPSA-N 1 3 378.520 3.534 20 0 GHADHO Cc1ccc(C)c([C@@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc2)c1 ZINC000925859177 931924511 /nfs/dbraw/zinc/92/45/11/931924511.db2.gz WCQJPOUDMBUGBT-UNMCSNQZSA-N 1 3 378.516 3.668 20 0 GHADHO C[C@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(Br)ncc1F ZINC000925887202 931937101 /nfs/dbraw/zinc/93/71/01/931937101.db2.gz VBHLUZANWJOHKJ-XAYKYTGQSA-N 1 3 378.289 3.693 20 0 GHADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000558476904 932024766 /nfs/dbraw/zinc/02/47/66/932024766.db2.gz ZJABLCYBJZJVES-QGAVKGNSSA-N 1 3 383.580 3.618 20 0 GHADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000558476904 932024772 /nfs/dbraw/zinc/02/47/72/932024772.db2.gz ZJABLCYBJZJVES-QGAVKGNSSA-N 1 3 383.580 3.618 20 0 GHADHO CCCC[C@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395839 932628186 /nfs/dbraw/zinc/62/81/86/932628186.db2.gz KSHUVVGXMWZESB-NZQKXSOJSA-N 1 3 398.551 3.982 20 0 GHADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177535 932899708 /nfs/dbraw/zinc/89/97/08/932899708.db2.gz UEDGWRACWRGHPO-QGZVFWFLSA-N 1 3 377.960 3.667 20 0 GHADHO C[C@H](NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000799178273 932900720 /nfs/dbraw/zinc/90/07/20/932900720.db2.gz QXALWJWVDOTFKM-IBGZPJMESA-N 1 3 379.548 3.825 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3[C@H](C)c3ccccc3)CC2)CC1 ZINC000928387512 932960594 /nfs/dbraw/zinc/96/05/94/932960594.db2.gz WBZZKGMOGXWDDM-HYBUGGRVSA-N 1 3 397.607 3.977 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)c2)CC1 ZINC001116531737 933614582 /nfs/dbraw/zinc/61/45/82/933614582.db2.gz FPPWPPHBJVQFTJ-RUZDIDTESA-N 1 3 393.575 3.692 20 0 GHADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)C2)nn1 ZINC000560979306 933754305 /nfs/dbraw/zinc/75/43/05/933754305.db2.gz CKYAMTBKTDNICD-QGZVFWFLSA-N 1 3 387.940 3.956 20 0 GHADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)C2)nn1 ZINC000560979306 933754316 /nfs/dbraw/zinc/75/43/16/933754316.db2.gz CKYAMTBKTDNICD-QGZVFWFLSA-N 1 3 387.940 3.956 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCSc3ccncc3)C2)ccn1 ZINC000931093942 934374234 /nfs/dbraw/zinc/37/42/34/934374234.db2.gz JZCIXXCRGFDGEA-FQEVSTJZSA-N 1 3 386.565 3.562 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCSc3ccncc3)C2)ccn1 ZINC000931093942 934374243 /nfs/dbraw/zinc/37/42/43/934374243.db2.gz JZCIXXCRGFDGEA-FQEVSTJZSA-N 1 3 386.565 3.562 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(Cl)n1 ZINC000828622536 935677528 /nfs/dbraw/zinc/67/75/28/935677528.db2.gz ZQSOSGYDMHPDMZ-MJGOQNOKSA-N 1 3 392.975 3.548 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(OC)ccc3C3CC3)CC2)CC1 ZINC000829856686 935872975 /nfs/dbraw/zinc/87/29/75/935872975.db2.gz ORRFQTBHGYEATP-UHFFFAOYSA-N 1 3 385.552 3.707 20 0 GHADHO CC(=O)Oc1cccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041468 935946192 /nfs/dbraw/zinc/94/61/92/935946192.db2.gz BRTODPTZJOUEPA-TUACAJSNSA-N 1 3 393.531 3.739 20 0 GHADHO CC(=O)Oc1cccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041468 935946196 /nfs/dbraw/zinc/94/61/96/935946196.db2.gz BRTODPTZJOUEPA-TUACAJSNSA-N 1 3 393.531 3.739 20 0 GHADHO CCCOc1cc(F)ccc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557646877 1017025824 /nfs/dbraw/zinc/02/58/24/1017025824.db2.gz WIWFJNBXGBJTLV-UHFFFAOYSA-N 1 3 391.531 3.749 20 0 GHADHO N[C@@H](C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC001221036227 1032245910 /nfs/dbraw/zinc/24/59/10/1032245910.db2.gz DXDSQUQAQMCJDU-TVQBDTMVSA-N 1 3 399.554 3.526 20 0 GHADHO C[C@@H]1CN(Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@]1(O)C(F)(F)F ZINC001204263239 1032707893 /nfs/dbraw/zinc/70/78/93/1032707893.db2.gz IQSJCYUHNHDUFV-APWZRJJASA-N 1 3 388.474 3.542 20 0 GHADHO CCOC(=O)C1(C(C)C)CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204272158 1032715472 /nfs/dbraw/zinc/71/54/72/1032715472.db2.gz YCDJJHOJZSLZKG-UHFFFAOYSA-N 1 3 390.568 3.818 20 0 GHADHO Cc1cccc(O[C@@H]2CCCN(Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204273164 1032717382 /nfs/dbraw/zinc/71/73/82/1032717382.db2.gz ZPUBZIJSNHXAFW-JOCHJYFZSA-N 1 3 383.536 3.764 20 0 GHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCOC23CCOCC3)cc1CN1CCCCC1 ZINC000903388612 1021598193 /nfs/dbraw/zinc/59/81/93/1021598193.db2.gz FOFYHHMGJZXACP-XMSQKQJNSA-N 1 3 388.552 3.670 20 0 GHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCOC23CCOCC3)ccc1OC ZINC000903389533 1021599164 /nfs/dbraw/zinc/59/91/64/1021599164.db2.gz MVGSBPGEOKVWLU-DYESRHJHSA-N 1 3 376.541 3.526 20 0 GHADHO C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000834892342 1021633416 /nfs/dbraw/zinc/63/34/16/1021633416.db2.gz LWXPGVUGEDVVIM-FWZVCBSNSA-N 1 3 387.568 3.726 20 0 GHADHO C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834892342 1021633425 /nfs/dbraw/zinc/63/34/25/1021633425.db2.gz LWXPGVUGEDVVIM-FWZVCBSNSA-N 1 3 387.568 3.726 20 0 GHADHO OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001204630597 1033001683 /nfs/dbraw/zinc/00/16/83/1033001683.db2.gz PFBBUESKSKHZIL-UHFFFAOYSA-N 1 3 396.478 3.896 20 0 GHADHO CCCC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CCC1 ZINC000754344764 1022631647 /nfs/dbraw/zinc/63/16/47/1022631647.db2.gz CCEZJBXZSLAJAU-QFIPXVFZSA-N 1 3 386.584 3.716 20 0 GHADHO CN(Cc1ccccc1N1CCN(C)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140976228 1023060663 /nfs/dbraw/zinc/06/06/63/1023060663.db2.gz HLLZNNMMCQSSOX-UHFFFAOYSA-N 1 3 384.612 3.667 20 0 GHADHO COc1ccc(C)cc1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001138486409 1024917782 /nfs/dbraw/zinc/91/77/82/1024917782.db2.gz RGSBPYMPPKOQHZ-UHFFFAOYSA-N 1 3 395.547 3.513 20 0 GHADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001141550796 1025500258 /nfs/dbraw/zinc/50/02/58/1025500258.db2.gz KUUSKXYAAMVSMV-KIFXHHALSA-N 1 3 397.607 3.723 20 0 GHADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001141550796 1025500267 /nfs/dbraw/zinc/50/02/67/1025500267.db2.gz KUUSKXYAAMVSMV-KIFXHHALSA-N 1 3 397.607 3.723 20 0 GHADHO CN(C)c1cccc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC001162054094 1025568722 /nfs/dbraw/zinc/56/87/22/1025568722.db2.gz JARSTYLBXLBXOW-UHFFFAOYSA-N 1 3 378.442 3.707 20 0 GHADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(-n3cncn3)cc1)CC2 ZINC001139328936 1026187992 /nfs/dbraw/zinc/18/79/92/1026187992.db2.gz LNGOFNRENXEENH-QFIPXVFZSA-N 1 3 391.519 3.737 20 0 GHADHO CCOc1ccncc1C[N@@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001139629204 1026495386 /nfs/dbraw/zinc/49/53/86/1026495386.db2.gz BXGPUZQMZSUKPH-VLCRHTCISA-N 1 3 380.536 3.608 20 0 GHADHO CCOc1ccncc1C[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001139629204 1026495390 /nfs/dbraw/zinc/49/53/90/1026495390.db2.gz BXGPUZQMZSUKPH-VLCRHTCISA-N 1 3 380.536 3.608 20 0 GHADHO CC(=O)OCc1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001141795260 1027302576 /nfs/dbraw/zinc/30/25/76/1027302576.db2.gz AUZPLLMSHJDSCB-LEWJYISDSA-N 1 3 382.504 3.687 20 0 GHADHO CC(=O)OCc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001141795260 1027302598 /nfs/dbraw/zinc/30/25/98/1027302598.db2.gz AUZPLLMSHJDSCB-LEWJYISDSA-N 1 3 382.504 3.687 20 0 GHADHO CN(C)C(=O)C1CCN(C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC001203981990 1027778911 /nfs/dbraw/zinc/77/89/11/1027778911.db2.gz ISOZIXOKJUGRDD-UHFFFAOYSA-N 1 3 379.548 3.604 20 0 GHADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC001211279091 1027884704 /nfs/dbraw/zinc/88/47/04/1027884704.db2.gz ZSTBOHSUSBMCOC-GPMSIDNRSA-N 1 3 380.964 3.505 20 0 GHADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001211279091 1027884718 /nfs/dbraw/zinc/88/47/18/1027884718.db2.gz ZSTBOHSUSBMCOC-GPMSIDNRSA-N 1 3 380.964 3.505 20 0 GHADHO C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCNC2=O)cc1 ZINC000842904180 1029673752 /nfs/dbraw/zinc/67/37/52/1029673752.db2.gz SIDBKRLNCRUIGZ-ROUUACIJSA-N 1 3 396.535 3.568 20 0 GHADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001222009464 1029929152 /nfs/dbraw/zinc/92/91/52/1029929152.db2.gz ILQIMXALSCXPMB-GOTSBHOMSA-N 1 3 398.595 3.920 20 0 GHADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001222009464 1029929160 /nfs/dbraw/zinc/92/91/60/1029929160.db2.gz ILQIMXALSCXPMB-GOTSBHOMSA-N 1 3 398.595 3.920 20 0 GHADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001222009463 1029929229 /nfs/dbraw/zinc/92/92/29/1029929229.db2.gz ILQIMXALSCXPMB-DHIUTWEWSA-N 1 3 398.595 3.920 20 0 GHADHO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001222009463 1029929233 /nfs/dbraw/zinc/92/92/33/1029929233.db2.gz ILQIMXALSCXPMB-DHIUTWEWSA-N 1 3 398.595 3.920 20 0 GHADHO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364216 1029940730 /nfs/dbraw/zinc/94/07/30/1029940730.db2.gz RYJIZTAYAUHSEV-LJQANCHMSA-N 1 3 393.531 3.668 20 0 GHADHO COc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1SC(F)(F)F ZINC000843388927 1029956950 /nfs/dbraw/zinc/95/69/50/1029956950.db2.gz FUPQBRCESUQYIB-PBHICJAKSA-N 1 3 390.471 3.635 20 0 GHADHO Clc1ccc(Cl)c(-c2ccc(CN3CCNC4(CC[NH2+]CC4)C3)o2)c1 ZINC001222090453 1029961448 /nfs/dbraw/zinc/96/14/48/1029961448.db2.gz CGWAMPIXKOMSOK-UHFFFAOYSA-N 1 3 380.319 3.781 20 0 GHADHO C[C@H]1CC[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426570 1029998350 /nfs/dbraw/zinc/99/83/50/1029998350.db2.gz AIHAHSCNVRTDKG-KCLUMXDGSA-N 1 3 387.568 3.709 20 0 GHADHO C[C@H]1CC[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426570 1029998355 /nfs/dbraw/zinc/99/83/55/1029998355.db2.gz AIHAHSCNVRTDKG-KCLUMXDGSA-N 1 3 387.568 3.709 20 0 GHADHO CCOC(=O)[C@H]1CC2(CN1CC[C@H](C)CCCC(C)(C)OC)CC[NH2+]CC2 ZINC001222215386 1030011511 /nfs/dbraw/zinc/01/15/11/1030011511.db2.gz DGMSBQJPMPVMIA-RTBURBONSA-N 1 3 382.589 3.615 20 0 GHADHO c1[nH]nc2cccc(C[N@@H+]3[C@@H](COCc4ccccc4)CCC34CCNCC4)c12 ZINC001222582845 1030210968 /nfs/dbraw/zinc/21/09/68/1030210968.db2.gz IFQRWNWBCSYAJT-OAQYLSRUSA-N 1 3 390.531 3.866 20 0 GHADHO c1[nH]nc2cccc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CCNCC4)c12 ZINC001222582845 1030210984 /nfs/dbraw/zinc/21/09/84/1030210984.db2.gz IFQRWNWBCSYAJT-OAQYLSRUSA-N 1 3 390.531 3.866 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cnc2c(cccc2C(F)(F)F)c1 ZINC001218706380 1031042159 /nfs/dbraw/zinc/04/21/59/1031042159.db2.gz BFEUUABQMNOESP-INIZCTEOSA-N 1 3 382.430 3.688 20 0 GHADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(OC(C)C)cc(C(F)(F)F)c1 ZINC001219174989 1031288140 /nfs/dbraw/zinc/28/81/40/1031288140.db2.gz SWBTVPIRDOJPKD-KRWDZBQOSA-N 1 3 389.462 3.927 20 0 GHADHO [NH3+][C@H](CNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1)c1ccccc1 ZINC001220501871 1031966837 /nfs/dbraw/zinc/96/68/37/1031966837.db2.gz VFNCGKSLYCEGOP-HSZRJFAPSA-N 1 3 385.511 3.524 20 0 GHADHO CC(=O)NC[C@H]1CCC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001461836676 1069781907 /nfs/dbraw/zinc/78/19/07/1069781907.db2.gz AOHPYKDPYNUHPR-VWNXMTODSA-N 1 3 385.596 3.773 20 0 GHADHO CC(=O)NC[C@H]1CCC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001461836676 1069781914 /nfs/dbraw/zinc/78/19/14/1069781914.db2.gz AOHPYKDPYNUHPR-VWNXMTODSA-N 1 3 385.596 3.773 20 0 GHADHO COc1ccc2c(Br)ccc(CN3CCC[C@](C)(C[NH3+])CC3)c2n1 ZINC001206318612 1033793764 /nfs/dbraw/zinc/79/37/64/1033793764.db2.gz RYGRLRRZIQGJSK-IBGZPJMESA-N 1 3 392.341 3.957 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1c(F)cncc1F)CC2 ZINC001206859188 1034038849 /nfs/dbraw/zinc/03/88/49/1034038849.db2.gz ZUEJUXUEJSWWLV-HNNXBMFYSA-N 1 3 393.503 3.677 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1c(F)cncc1F)CC2 ZINC001206859188 1034038857 /nfs/dbraw/zinc/03/88/57/1034038857.db2.gz ZUEJUXUEJSWWLV-HNNXBMFYSA-N 1 3 393.503 3.677 20 0 GHADHO [NH3+]C1CCN(c2cccc(N[C@H](CCO)c3cccc4ccccc43)n2)CC1 ZINC001158508190 1034114964 /nfs/dbraw/zinc/11/49/64/1034114964.db2.gz BVMUYMNDWHXCIN-OAQYLSRUSA-N 1 3 376.504 3.698 20 0 GHADHO CC1(C)C[C@H](C[N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CCO1 ZINC001207357248 1034302006 /nfs/dbraw/zinc/30/20/06/1034302006.db2.gz LMGCRBOBWLZFAV-GPXNEJASSA-N 1 3 390.612 3.652 20 0 GHADHO CC1(C)C[C@H](C[N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CCO1 ZINC001207357248 1034302014 /nfs/dbraw/zinc/30/20/14/1034302014.db2.gz LMGCRBOBWLZFAV-GPXNEJASSA-N 1 3 390.612 3.652 20 0 GHADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158977025 1034366356 /nfs/dbraw/zinc/36/63/56/1034366356.db2.gz PZHPADBBFFTZKF-VXKWHMMOSA-N 1 3 381.564 3.737 20 0 GHADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158977025 1034366382 /nfs/dbraw/zinc/36/63/82/1034366382.db2.gz PZHPADBBFFTZKF-VXKWHMMOSA-N 1 3 381.564 3.737 20 0 GHADHO CCCN1C[C@@H]2C[NH+](CC3CC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]2C1 ZINC001207808767 1034586332 /nfs/dbraw/zinc/58/63/32/1034586332.db2.gz KJMFPGFLYDKEDU-WOJBJXKFSA-N 1 3 391.600 3.687 20 0 GHADHO CCC[NH+]1C[C@@H]2CN(CC3CC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]2C1 ZINC001207808767 1034586338 /nfs/dbraw/zinc/58/63/38/1034586338.db2.gz KJMFPGFLYDKEDU-WOJBJXKFSA-N 1 3 391.600 3.687 20 0 GHADHO CC(C)Sc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001159467096 1034609461 /nfs/dbraw/zinc/60/94/61/1034609461.db2.gz MLUZEVXDHUWMAN-UHFFFAOYSA-N 1 3 395.576 3.887 20 0 GHADHO CCN1CCN(c2ccc(Nc3ccc(OC4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001159622513 1034693291 /nfs/dbraw/zinc/69/32/91/1034693291.db2.gz QBDFPIFPDGXLEP-UHFFFAOYSA-N 1 3 380.536 3.703 20 0 GHADHO CC(C)CN1c2ccccc2C2(CCN(C[C@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC001208609666 1034953332 /nfs/dbraw/zinc/95/33/32/1034953332.db2.gz VPKGRQWJLLULJC-FQEVSTJZSA-N 1 3 383.580 3.755 20 0 GHADHO CC(C)CN1c2ccccc2C2(CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC001208609666 1034953336 /nfs/dbraw/zinc/95/33/36/1034953336.db2.gz VPKGRQWJLLULJC-FQEVSTJZSA-N 1 3 383.580 3.755 20 0 GHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001231906313 1034982273 /nfs/dbraw/zinc/98/22/73/1034982273.db2.gz QGWJVJBPTNLZMC-QFIPXVFZSA-N 1 3 390.531 3.818 20 0 GHADHO CC(C)[C@H](C[NH3+])C(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160682044 1035034611 /nfs/dbraw/zinc/03/46/11/1035034611.db2.gz CCGJOXJTZOOBGK-GOTSBHOMSA-N 1 3 379.548 3.521 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)c1 ZINC001232146395 1035124609 /nfs/dbraw/zinc/12/46/09/1035124609.db2.gz PGKMYKWXEMHVFI-FGZHOGPDSA-N 1 3 383.511 3.511 20 0 GHADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)c1 ZINC001232146395 1035124612 /nfs/dbraw/zinc/12/46/12/1035124612.db2.gz PGKMYKWXEMHVFI-FGZHOGPDSA-N 1 3 383.511 3.511 20 0 GHADHO CC(=O)Nc1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)c(C)c1 ZINC001232186418 1035151967 /nfs/dbraw/zinc/15/19/67/1035151967.db2.gz QDEGCSFHKSXLGR-UHFFFAOYSA-N 1 3 392.547 3.837 20 0 GHADHO CN(CCN(C)C(=O)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC001161160839 1035163297 /nfs/dbraw/zinc/16/32/97/1035163297.db2.gz HFEOFFLUYVKMQA-LJQANCHMSA-N 1 3 393.453 3.686 20 0 GHADHO Cc1ccc(CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)CN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161396454 1035221933 /nfs/dbraw/zinc/22/19/33/1035221933.db2.gz ONZFKZSHQFYOAH-MKXGPGLRSA-N 1 3 397.485 3.524 20 0 GHADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccc(Oc2ccccc2)cc1 ZINC001245987725 1037109702 /nfs/dbraw/zinc/10/97/02/1037109702.db2.gz LHHOGAWNQVNIAJ-BJKOFHAPSA-N 1 3 376.500 3.542 20 0 GHADHO O[C@@H](CN[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)c1ccc(F)c(F)c1 ZINC001246007270 1037127941 /nfs/dbraw/zinc/12/79/41/1037127941.db2.gz PQTCAOGVRFIWNV-SFTDATJTSA-N 1 3 378.438 3.858 20 0 GHADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCC(F)(F)CC1 ZINC001246011693 1037131694 /nfs/dbraw/zinc/13/16/94/1037131694.db2.gz YTPJVCFFHWRXBN-VQTJNVASSA-N 1 3 392.465 3.751 20 0 GHADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC001246017211 1037136366 /nfs/dbraw/zinc/13/63/66/1037136366.db2.gz XJQGPEYTXOQCTE-XUVXKRRUSA-N 1 3 380.866 3.516 20 0 GHADHO O[C@H](COc1cccc2[nH]c3ccccc3c21)CN(C1CCC1)C1CC[NH2+]CC1 ZINC001246072415 1037189098 /nfs/dbraw/zinc/18/90/98/1037189098.db2.gz ZNYMMTXBOSMCGI-IBGZPJMESA-N 1 3 393.531 3.667 20 0 GHADHO O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+](C1CCC1)C1CCNCC1 ZINC001246072415 1037189113 /nfs/dbraw/zinc/18/91/13/1037189113.db2.gz ZNYMMTXBOSMCGI-IBGZPJMESA-N 1 3 393.531 3.667 20 0 GHADHO O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C1CCC1)C1CCNCC1 ZINC001246072415 1037189124 /nfs/dbraw/zinc/18/91/24/1037189124.db2.gz ZNYMMTXBOSMCGI-IBGZPJMESA-N 1 3 393.531 3.667 20 0 GHADHO Cc1ccc2[nH]cc(C3CC[NH+](C[C@@H](O)[C@@H](N)Cc4ccccc4)CC3)c2c1 ZINC001246072345 1037189396 /nfs/dbraw/zinc/18/93/96/1037189396.db2.gz VBCPVGKAHBBYSL-LADGPHEKSA-N 1 3 377.532 3.587 20 0 GHADHO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246152847 1037216602 /nfs/dbraw/zinc/21/66/02/1037216602.db2.gz QSBHKSUPPXAFGM-LZQZEXGQSA-N 1 3 381.358 3.519 20 0 GHADHO C[C@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCNCC1(F)F ZINC001246218580 1037243138 /nfs/dbraw/zinc/24/31/38/1037243138.db2.gz BOSUSCPCCUIHGE-PLACYPQZSA-N 1 3 377.523 3.797 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246270573 1037266483 /nfs/dbraw/zinc/26/64/83/1037266483.db2.gz MMPBFOLYEFTZFI-BBWFWOEESA-N 1 3 398.332 3.515 20 0 GHADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)CCN1 ZINC001246276613 1037273353 /nfs/dbraw/zinc/27/33/53/1037273353.db2.gz DJQJSLGWPSXQRT-SMQFJCFBSA-N 1 3 379.523 3.647 20 0 GHADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246293299 1037281545 /nfs/dbraw/zinc/28/15/45/1037281545.db2.gz YELDNDZCWGPIQP-YOEKFXIASA-N 1 3 385.596 3.569 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356822 1037314868 /nfs/dbraw/zinc/31/48/68/1037314868.db2.gz WJPWHGPKKFIFTF-JXFKEZNVSA-N 1 3 383.502 3.825 20 0 GHADHO COc1cccc(CC2([NH2+][C@@H]3CCc4cc(F)c(F)cc4C3)CCNCC2)c1 ZINC001246377766 1037333809 /nfs/dbraw/zinc/33/38/09/1037333809.db2.gz LPKRNGMEIZCHHX-LJQANCHMSA-N 1 3 386.486 3.785 20 0 GHADHO COC(=O)[C@H]1CCC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)CC1 ZINC001246384788 1037344746 /nfs/dbraw/zinc/34/47/46/1037344746.db2.gz BPVNFNHDBXETEO-HKUYNNGSSA-N 1 3 378.944 3.716 20 0 GHADHO CCCC[C@H]1C[C@H]([NH2+]C2CCN(c3nc4ccccc4n3CC)CC2)CCN1 ZINC001246407685 1037363101 /nfs/dbraw/zinc/36/31/01/1037363101.db2.gz SMFSGHGTFLZXFH-VQTJNVASSA-N 1 3 383.584 3.925 20 0 GHADHO CCCCCC[C@H](CC)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246408826 1037364714 /nfs/dbraw/zinc/36/47/14/1037364714.db2.gz FMZQSPQMRLEAAP-FLNLFJTMSA-N 1 3 384.605 3.627 20 0 GHADHO C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CCN1 ZINC001246442823 1037406547 /nfs/dbraw/zinc/40/65/47/1037406547.db2.gz UUGBGAMNGLQOKW-RDJZCZTQSA-N 1 3 381.358 3.519 20 0 GHADHO Oc1ccc(Br)c(CC[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246505454 1037445563 /nfs/dbraw/zinc/44/55/63/1037445563.db2.gz WJAPRXVXNRUFGQ-ZWKOTPCHSA-N 1 3 389.337 3.650 20 0 GHADHO COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1C[C@@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246618580 1037509311 /nfs/dbraw/zinc/50/93/11/1037509311.db2.gz HMKBNWDKJNCIEQ-PXNSSMCTSA-N 1 3 382.935 3.895 20 0 GHADHO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1C[C@@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246618580 1037509317 /nfs/dbraw/zinc/50/93/17/1037509317.db2.gz HMKBNWDKJNCIEQ-PXNSSMCTSA-N 1 3 382.935 3.895 20 0 GHADHO C[C@@H](Cc1ccncc1)[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246620125 1037512451 /nfs/dbraw/zinc/51/24/51/1037512451.db2.gz PXNDDBGRJBLHBV-REWPJTCUSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H](Cc1ccncc1)[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246620125 1037512462 /nfs/dbraw/zinc/51/24/62/1037512462.db2.gz PXNDDBGRJBLHBV-REWPJTCUSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@@H]1C[C@H]([NH+]2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)CCN1 ZINC001246657215 1037531699 /nfs/dbraw/zinc/53/16/99/1037531699.db2.gz GOIQOHXTOOLLSE-HLAWJBBLSA-N 1 3 395.591 3.564 20 0 GHADHO C[C@@H]1C[C@H](N2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)CC[NH2+]1 ZINC001246657215 1037531704 /nfs/dbraw/zinc/53/17/04/1037531704.db2.gz GOIQOHXTOOLLSE-HLAWJBBLSA-N 1 3 395.591 3.564 20 0 GHADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CCN1 ZINC001246664445 1037535193 /nfs/dbraw/zinc/53/51/93/1037535193.db2.gz XJRTXOFINAXXMK-ZXMXYHOLSA-N 1 3 379.548 3.672 20 0 GHADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CCN1 ZINC001246664445 1037535219 /nfs/dbraw/zinc/53/52/19/1037535219.db2.gz XJRTXOFINAXXMK-ZXMXYHOLSA-N 1 3 379.548 3.672 20 0 GHADHO C[C@@H]1C[C@@H](N2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246664445 1037535231 /nfs/dbraw/zinc/53/52/31/1037535231.db2.gz XJRTXOFINAXXMK-ZXMXYHOLSA-N 1 3 379.548 3.672 20 0 GHADHO CC(C)[C@H]1C[C@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246674108 1037540973 /nfs/dbraw/zinc/54/09/73/1037540973.db2.gz NLHYVSUKGSKSPI-RSPOEFSDSA-N 1 3 382.527 3.574 20 0 GHADHO CC(C)[C@H]1C[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246674108 1037540986 /nfs/dbraw/zinc/54/09/86/1037540986.db2.gz NLHYVSUKGSKSPI-RSPOEFSDSA-N 1 3 382.527 3.574 20 0 GHADHO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246678639 1037543158 /nfs/dbraw/zinc/54/31/58/1037543158.db2.gz PAJQHRFHVATMDP-XZOQPEGZSA-N 1 3 380.532 3.805 20 0 GHADHO CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246678639 1037543169 /nfs/dbraw/zinc/54/31/69/1037543169.db2.gz PAJQHRFHVATMDP-XZOQPEGZSA-N 1 3 380.532 3.805 20 0 GHADHO CC1(C)COC2(CCC([N@@H+]3CC[C@@]4(c5ccccc5)CCNC[C@@H]4C3)CC2)OC1 ZINC001246675682 1037543517 /nfs/dbraw/zinc/54/35/17/1037543517.db2.gz XNAMLQMBZXRKQC-ZJSXRUAMSA-N 1 3 398.591 3.952 20 0 GHADHO CC1(C)COC2(CCC([N@H+]3CC[C@@]4(c5ccccc5)CCNC[C@@H]4C3)CC2)OC1 ZINC001246675682 1037543530 /nfs/dbraw/zinc/54/35/30/1037543530.db2.gz XNAMLQMBZXRKQC-ZJSXRUAMSA-N 1 3 398.591 3.952 20 0 GHADHO c1cc(-c2ccc3c(c2)C2(CC3)CC[NH+]([C@H]3CCOC4(CNC4)C3)CC2)co1 ZINC001246740504 1037583354 /nfs/dbraw/zinc/58/33/54/1037583354.db2.gz MKIGNYSFZSSOCS-NRFANRHFSA-N 1 3 378.516 3.747 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CCN[C@@H](C)C3)CC2)c2ccccc21 ZINC001246753458 1037594022 /nfs/dbraw/zinc/59/40/22/1037594022.db2.gz LZJIQHCMOFHYBC-PWRODBHTSA-N 1 3 397.607 3.907 20 0 GHADHO CCN(CC)C(=O)C[C@@H]1CC2(CCN([C@@H]3CC[NH2+][C@@H](C)C3)CC2)c2ccccc21 ZINC001246753458 1037594036 /nfs/dbraw/zinc/59/40/36/1037594036.db2.gz LZJIQHCMOFHYBC-PWRODBHTSA-N 1 3 397.607 3.907 20 0 GHADHO CCCC[C@@H]1C[C@H](N2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246769001 1037610602 /nfs/dbraw/zinc/61/06/02/1037610602.db2.gz WGSBUXDYJRBSKI-DRSNIGMVSA-N 1 3 391.506 3.704 20 0 GHADHO c1nc(CNC2CCCC2)c2n1CCCN([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246773184 1037614801 /nfs/dbraw/zinc/61/48/01/1037614801.db2.gz SMXPMHLXLBMZTJ-HXUWFJFHSA-N 1 3 385.600 3.576 20 0 GHADHO c1nc(CNC2CCCC2)c2n1CCCN([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246773182 1037615816 /nfs/dbraw/zinc/61/58/16/1037615816.db2.gz SMXPMHLXLBMZTJ-FQEVSTJZSA-N 1 3 385.600 3.576 20 0 GHADHO Cc1ccc(N2C[C@@]3(CCN([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246778841 1037618042 /nfs/dbraw/zinc/61/80/42/1037618042.db2.gz ODKBFBYROGRJPE-GMAHTHKFSA-N 1 3 381.564 3.879 20 0 GHADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246836330 1037665939 /nfs/dbraw/zinc/66/59/39/1037665939.db2.gz XHQHNXRMJPIXKI-CJRSTVEYSA-N 1 3 381.539 3.552 20 0 GHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879238 1037693578 /nfs/dbraw/zinc/69/35/78/1037693578.db2.gz NILZYCWEPNIGIS-BSIFCXSSSA-N 1 3 390.449 3.989 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001246940364 1037744493 /nfs/dbraw/zinc/74/44/93/1037744493.db2.gz WMTCCUNAJIKLKU-OFNKIYASSA-N 1 3 383.580 3.926 20 0 GHADHO O=C(c1ccccc1)N1CCC[C@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001246940364 1037744514 /nfs/dbraw/zinc/74/45/14/1037744514.db2.gz WMTCCUNAJIKLKU-OFNKIYASSA-N 1 3 383.580 3.926 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954575 1037762647 /nfs/dbraw/zinc/76/26/47/1037762647.db2.gz IGGSJABCCUMYDQ-SJORKVTESA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954575 1037762664 /nfs/dbraw/zinc/76/26/64/1037762664.db2.gz IGGSJABCCUMYDQ-SJORKVTESA-N 1 3 380.479 3.641 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246954575 1037762690 /nfs/dbraw/zinc/76/26/90/1037762690.db2.gz IGGSJABCCUMYDQ-SJORKVTESA-N 1 3 380.479 3.641 20 0 GHADHO C[C@@H]1CN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H](C)CN1Cc1ccccc1 ZINC001246984581 1037807850 /nfs/dbraw/zinc/80/78/50/1037807850.db2.gz MHWIQZXXBUXKGR-OVSMBABESA-N 1 3 377.576 3.945 20 0 GHADHO c1ccc2cc(Oc3ccccc3-c3noc([C@H]4CNCC45C[NH2+]C5)n3)ccc2c1 ZINC001247830365 1038412312 /nfs/dbraw/zinc/41/23/12/1038412312.db2.gz NEBZITIQUYVHEZ-HXUWFJFHSA-N 1 3 398.466 3.959 20 0 GHADHO Cc1ncc(F)cc1CN1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001232988502 1038751973 /nfs/dbraw/zinc/75/19/73/1038751973.db2.gz PAQHYQSKELZXAI-IBGZPJMESA-N 1 3 389.540 3.846 20 0 GHADHO Cc1ncc(F)cc1CN1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001232988502 1038751979 /nfs/dbraw/zinc/75/19/79/1038751979.db2.gz PAQHYQSKELZXAI-IBGZPJMESA-N 1 3 389.540 3.846 20 0 GHADHO COCOc1cccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281194 1039054463 /nfs/dbraw/zinc/05/44/63/1039054463.db2.gz RAYFBRCTXRTMOD-OYDLWJJNSA-N 1 3 395.547 3.797 20 0 GHADHO COCOc1cccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281194 1039054472 /nfs/dbraw/zinc/05/44/72/1039054472.db2.gz RAYFBRCTXRTMOD-OYDLWJJNSA-N 1 3 395.547 3.797 20 0 GHADHO O=c1ccc2c(C[N@@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc(O)c2[nH]1 ZINC001233294315 1039080261 /nfs/dbraw/zinc/08/02/61/1039080261.db2.gz FUGANYXKYKUOAU-XMMPIXPASA-N 1 3 389.499 3.744 20 0 GHADHO O=c1ccc2c(C[N@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc(O)c2[nH]1 ZINC001233294315 1039080281 /nfs/dbraw/zinc/08/02/81/1039080281.db2.gz FUGANYXKYKUOAU-XMMPIXPASA-N 1 3 389.499 3.744 20 0 GHADHO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001253830820 1039837194 /nfs/dbraw/zinc/83/71/94/1039837194.db2.gz RGAKBWKMWWCZES-NOZRDPDXSA-N 1 3 394.559 3.723 20 0 GHADHO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001253830820 1039837219 /nfs/dbraw/zinc/83/72/19/1039837219.db2.gz RGAKBWKMWWCZES-NOZRDPDXSA-N 1 3 394.559 3.723 20 0 GHADHO COc1ccccc1C1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254038646 1039969186 /nfs/dbraw/zinc/96/91/86/1039969186.db2.gz MCOACQYQDIXNLX-UHFFFAOYSA-N 1 3 394.559 3.902 20 0 GHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296341 1040146636 /nfs/dbraw/zinc/14/66/36/1040146636.db2.gz QIXXMSJBKUCDDT-ICSRJNTNSA-N 1 3 375.557 3.873 20 0 GHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296341 1040146660 /nfs/dbraw/zinc/14/66/60/1040146660.db2.gz QIXXMSJBKUCDDT-ICSRJNTNSA-N 1 3 375.557 3.873 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCCCC3)C2)cc1 ZINC001254392680 1040207524 /nfs/dbraw/zinc/20/75/24/1040207524.db2.gz VHXYKOUIKHUSIB-GGAORHGYSA-N 1 3 398.595 3.666 20 0 GHADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CC[N@H+]3C3CCCCCC3)C2)cc1 ZINC001254392680 1040207537 /nfs/dbraw/zinc/20/75/37/1040207537.db2.gz VHXYKOUIKHUSIB-GGAORHGYSA-N 1 3 398.595 3.666 20 0 GHADHO Cc1ncc(Br)cc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235090340 1040579333 /nfs/dbraw/zinc/57/93/33/1040579333.db2.gz WLQVYRUFASBATQ-UHFFFAOYSA-N 1 3 386.337 3.790 20 0 GHADHO Fc1cc(F)cc(-c2n[nH]cc2CN2CCC3(CC2)C[NH2+]Cc2ccccc23)c1 ZINC001235091132 1040579844 /nfs/dbraw/zinc/57/98/44/1040579844.db2.gz OPKVZXQLSDYFEZ-UHFFFAOYSA-N 1 3 394.469 3.992 20 0 GHADHO CSc1ncc(CN2CCCC[C@H]2C2CC[NH2+]CC2)c(NC2CCCC2)n1 ZINC001235152116 1040642611 /nfs/dbraw/zinc/64/26/11/1040642611.db2.gz CCTVZCJRJYOAKC-IBGZPJMESA-N 1 3 389.613 3.907 20 0 GHADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]C3CCN(C4CCCC4)CC3)C[C@@H]2C1 ZINC001254895869 1040651896 /nfs/dbraw/zinc/65/18/96/1040651896.db2.gz MYMUEXNVNVGJTJ-IZZQQSIFSA-N 1 3 377.573 3.629 20 0 GHADHO CN1C(C)(C)CC([NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1(C)C ZINC001254995517 1040716530 /nfs/dbraw/zinc/71/65/30/1040716530.db2.gz NDOVEIUITJAYOL-XDNSSPFJSA-N 1 3 385.596 3.659 20 0 GHADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(Cc1ccc(F)c(Cl)c1)C2 ZINC001235323981 1040794909 /nfs/dbraw/zinc/79/49/09/1040794909.db2.gz GQRUVKXDGCJPGB-GHTZIAJQSA-N 1 3 394.918 3.624 20 0 GHADHO Cn1cc(-c2cc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)ccn2)cn1 ZINC001255128023 1040820757 /nfs/dbraw/zinc/82/07/57/1040820757.db2.gz ITGJOGZBLMWDDK-NUNAXRQHSA-N 1 3 387.531 3.767 20 0 GHADHO COCc1cccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001255134345 1040833585 /nfs/dbraw/zinc/83/35/85/1040833585.db2.gz BBHWIGHLYSGJCK-UEQSERJNSA-N 1 3 380.532 3.652 20 0 GHADHO CN(C)Cc1cc(F)cc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235372802 1040879508 /nfs/dbraw/zinc/87/95/08/1040879508.db2.gz VDWHDJGIZWESQI-UPVQGACJSA-N 1 3 381.539 3.641 20 0 GHADHO Cc1cncnc1O[C@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255408893 1040996250 /nfs/dbraw/zinc/99/62/50/1040996250.db2.gz DTNMMDWVYCKYLB-YADHBBJMSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cncnc1O[C@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255408893 1040996252 /nfs/dbraw/zinc/99/62/52/1040996252.db2.gz DTNMMDWVYCKYLB-YADHBBJMSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cnc(O[C@@H]2CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)nc1 ZINC001255409657 1040997661 /nfs/dbraw/zinc/99/76/61/1040997661.db2.gz KERIKFJWKOAZIE-FGZHOGPDSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cnc(O[C@@H]2CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)nc1 ZINC001255409657 1040997677 /nfs/dbraw/zinc/99/76/77/1040997677.db2.gz KERIKFJWKOAZIE-FGZHOGPDSA-N 1 3 380.536 3.683 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]21 ZINC001255680556 1041213043 /nfs/dbraw/zinc/21/30/43/1041213043.db2.gz ZNDUINNQBYODKM-JEMGJVJQSA-N 1 3 382.596 3.629 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]21 ZINC001255680556 1041213052 /nfs/dbraw/zinc/21/30/52/1041213052.db2.gz ZNDUINNQBYODKM-JEMGJVJQSA-N 1 3 382.596 3.629 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235789699 1041282134 /nfs/dbraw/zinc/28/21/34/1041282134.db2.gz FFCBCUAARWQJCO-GOSISDBHSA-N 1 3 390.984 3.718 20 0 GHADHO C[NH+](C)CCCOc1ccc(CN2CCN[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001235791670 1041285745 /nfs/dbraw/zinc/28/57/45/1041285745.db2.gz SGAHBYYQVFCETA-QFIPXVFZSA-N 1 3 387.955 3.817 20 0 GHADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001255947899 1041431781 /nfs/dbraw/zinc/43/17/81/1041431781.db2.gz YOXNGHRDXRZOHT-MOPGFXCFSA-N 1 3 397.604 3.645 20 0 GHADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235937436 1041444411 /nfs/dbraw/zinc/44/44/11/1041444411.db2.gz RQXVLMQHERKEHA-RBZQAINGSA-N 1 3 381.539 3.711 20 0 GHADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235937436 1041444418 /nfs/dbraw/zinc/44/44/18/1041444418.db2.gz RQXVLMQHERKEHA-RBZQAINGSA-N 1 3 381.539 3.711 20 0 GHADHO CCN(Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001236005131 1041496495 /nfs/dbraw/zinc/49/64/95/1041496495.db2.gz AUXBJDXIMVBCEH-XMMPIXPASA-N 1 3 392.591 3.583 20 0 GHADHO CCN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001256070393 1041505817 /nfs/dbraw/zinc/50/58/17/1041505817.db2.gz YDPMMZVOALRMER-XERBYJISSA-N 1 3 398.595 3.699 20 0 GHADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC001236080437 1041524822 /nfs/dbraw/zinc/52/48/22/1041524822.db2.gz AOWFSXRVARYXEY-UHFFFAOYSA-N 1 3 393.453 3.589 20 0 GHADHO Brc1cccc2c1C[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001256127688 1041558438 /nfs/dbraw/zinc/55/84/38/1041558438.db2.gz LOIOJZFLVWVAGJ-KZNAEPCWSA-N 1 3 393.369 3.539 20 0 GHADHO C[NH+]1CCC(COc2cnc(-c3ccc(CN4CCCCC4)c(F)c3)nc2)CC1 ZINC001236245548 1041642648 /nfs/dbraw/zinc/64/26/48/1041642648.db2.gz USMSEOCCTIWSIY-UHFFFAOYSA-N 1 3 398.526 3.989 20 0 GHADHO Fc1ccc(CN(Cc2cccc(Br)n2)CC2CC[NH2+]CC2)cc1 ZINC001236379656 1041689499 /nfs/dbraw/zinc/68/94/99/1041689499.db2.gz DXQIZQBUPRGAEE-UHFFFAOYSA-N 1 3 392.316 3.985 20 0 GHADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001278927841 1041694092 /nfs/dbraw/zinc/69/40/92/1041694092.db2.gz OCEDLGBEUKWVQW-UHFFFAOYSA-N 1 3 391.774 3.501 20 0 GHADHO Cc1cccc(CN2CC[C@@H](N3CCC([NH3+])CC3)C2)c1OCc1ccccc1 ZINC001236620754 1041786918 /nfs/dbraw/zinc/78/69/18/1041786918.db2.gz DDRNBNYMRJNSAU-HSZRJFAPSA-N 1 3 379.548 3.571 20 0 GHADHO CC(C)c1cc(Br)cc(CN2CCC([N@@H+]3CC[C@@H](N)C3)CC2)c1 ZINC001236622060 1041787963 /nfs/dbraw/zinc/78/79/63/1041787963.db2.gz NKZVOMXCDAGCII-GOSISDBHSA-N 1 3 380.374 3.570 20 0 GHADHO CC(C)c1cc(Br)cc(CN2CCC([N@H+]3CC[C@@H](N)C3)CC2)c1 ZINC001236622060 1041787968 /nfs/dbraw/zinc/78/79/68/1041787968.db2.gz NKZVOMXCDAGCII-GOSISDBHSA-N 1 3 380.374 3.570 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccc(-c4ccccc4Cl)nc3)CC2)CC1 ZINC001237027177 1041995763 /nfs/dbraw/zinc/99/57/63/1041995763.db2.gz UJYLKQVQOVTUGG-UHFFFAOYSA-N 1 3 398.982 3.861 20 0 GHADHO COC(=O)Cc1cccc(CN2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1 ZINC001237478409 1042226124 /nfs/dbraw/zinc/22/61/24/1042226124.db2.gz VXPRVIDHKKKMQC-UHFFFAOYSA-N 1 3 389.499 3.581 20 0 GHADHO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cccc3c1OCC3)CC2 ZINC001237743421 1042348705 /nfs/dbraw/zinc/34/87/05/1042348705.db2.gz SNEMHYDMWUFBSL-FQEVSTJZSA-N 1 3 398.572 3.939 20 0 GHADHO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cccc3c1OCC3)CC2 ZINC001237743421 1042348714 /nfs/dbraw/zinc/34/87/14/1042348714.db2.gz SNEMHYDMWUFBSL-FQEVSTJZSA-N 1 3 398.572 3.939 20 0 GHADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)cc21 ZINC001237883460 1042408738 /nfs/dbraw/zinc/40/87/38/1042408738.db2.gz XGLVEZJVDABLCD-UHFFFAOYSA-N 1 3 381.564 3.912 20 0 GHADHO COc1c(Br)cc(F)cc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001238334708 1042560132 /nfs/dbraw/zinc/56/01/32/1042560132.db2.gz OTOMGQCCPCBXCQ-UHFFFAOYSA-N 1 3 385.321 3.905 20 0 GHADHO CN(C)CCN(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC001239308298 1042806183 /nfs/dbraw/zinc/80/61/83/1042806183.db2.gz XATOYQWJAFJUJH-ZDUSSCGKSA-N 1 3 392.853 3.506 20 0 GHADHO CN1CCN(Cc2ccc(-c3ccc4c(c3)CCC43CC[NH2+]CC3)cc2)CC1 ZINC001240401790 1042926569 /nfs/dbraw/zinc/92/65/69/1042926569.db2.gz FHAKYZBZZOXPOT-UHFFFAOYSA-N 1 3 375.560 3.668 20 0 GHADHO CN1CCN(C2(c3ccc(-c4ccc(C[NH+]5CCCC5)cn4)cc3)CC2)CC1 ZINC001240579346 1042942672 /nfs/dbraw/zinc/94/26/72/1042942672.db2.gz KHYMNENFOKFBIZ-UHFFFAOYSA-N 1 3 376.548 3.581 20 0 GHADHO C[C@@H]1C[C@H](N2CCN(CCc3cccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256551464 1043516495 /nfs/dbraw/zinc/51/64/95/1043516495.db2.gz SANWJHNMDRHHSI-IFMALSPDSA-N 1 3 383.605 3.961 20 0 GHADHO C[C@@H]1C[C@H](N2CCN(CCc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256551464 1043516503 /nfs/dbraw/zinc/51/65/03/1043516503.db2.gz SANWJHNMDRHHSI-IFMALSPDSA-N 1 3 383.605 3.961 20 0 GHADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256555314 1043525686 /nfs/dbraw/zinc/52/56/86/1043525686.db2.gz WGUQQWPJRQLOJP-QGZVFWFLSA-N 1 3 379.589 3.876 20 0 GHADHO COc1cccc(CC2([NH3+])CCN([C@@H]3CCc4c(cccc4OC)C3)CC2)c1 ZINC001256643067 1043589158 /nfs/dbraw/zinc/58/91/58/1043589158.db2.gz VIRXRJFGQWXYFF-HXUWFJFHSA-N 1 3 380.532 3.597 20 0 GHADHO COc1cccc2c1CC[C@@H]([NH+]1CCC3(CCN(Cc4cccnc4)C3)CC1)C2 ZINC001256650075 1043594657 /nfs/dbraw/zinc/59/46/57/1043594657.db2.gz FOTJTTPJCABBOF-JOCHJYFZSA-N 1 3 391.559 3.936 20 0 GHADHO Clc1cccc(CN2CCC([NH2+]C3CCC(N4CCOCC4)CC3)CC2)c1 ZINC001256681115 1043619369 /nfs/dbraw/zinc/61/93/69/1043619369.db2.gz KLCOWDJDTCRDKS-UHFFFAOYSA-N 1 3 391.987 3.537 20 0 GHADHO Cc1cc2ccccc2nc1N1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256863268 1043709282 /nfs/dbraw/zinc/70/92/82/1043709282.db2.gz WFRMCZKBYFDUCX-UHFFFAOYSA-N 1 3 387.531 3.729 20 0 GHADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C3)C[C@@H]2C1 ZINC001257206433 1043936979 /nfs/dbraw/zinc/93/69/79/1043936979.db2.gz TWYQAYAKLRZSCB-IYWMVGAKSA-N 1 3 379.589 3.684 20 0 GHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C3)C[C@@H]2C1 ZINC001257206433 1043936980 /nfs/dbraw/zinc/93/69/80/1043936980.db2.gz TWYQAYAKLRZSCB-IYWMVGAKSA-N 1 3 379.589 3.684 20 0 GHADHO CN1CC2(C1)CC[NH+]([C@@H]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2 ZINC001257817282 1044199310 /nfs/dbraw/zinc/19/93/10/1044199310.db2.gz XPTDVGFFGARECJ-NQIIRXRSSA-N 1 3 377.573 3.584 20 0 GHADHO CC(C)CN1CCC([NH2+]CCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC001258004053 1044331052 /nfs/dbraw/zinc/33/10/52/1044331052.db2.gz AEYMHYVEUZRYKM-UHFFFAOYSA-N 1 3 382.574 3.743 20 0 GHADHO CCN1C[C@@H](C)N(c2nnc(C3CCCC3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001295376478 1044992649 /nfs/dbraw/zinc/99/26/49/1044992649.db2.gz NHSDZRPBDHDXLY-CEXWTWQISA-N 1 3 390.620 3.585 20 0 GHADHO O=C(CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1cccnc1 ZINC001261438055 1045998888 /nfs/dbraw/zinc/99/88/88/1045998888.db2.gz SUVWARBBABBQKY-FRIKZZABSA-N 1 3 378.520 3.586 20 0 GHADHO O=C(CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1cccnc1 ZINC001261438055 1045998890 /nfs/dbraw/zinc/99/88/90/1045998890.db2.gz SUVWARBBABBQKY-FRIKZZABSA-N 1 3 378.520 3.586 20 0 GHADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3ccc(Cl)nc3)C[C@H]2CC1 ZINC001279650547 1047893355 /nfs/dbraw/zinc/89/33/55/1047893355.db2.gz SZEDFLUGXSFANU-CALCHBBNSA-N 1 3 376.957 3.844 20 0 GHADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3ccc(Cl)nc3)C[C@H]2CC1 ZINC001279650547 1047893367 /nfs/dbraw/zinc/89/33/67/1047893367.db2.gz SZEDFLUGXSFANU-CALCHBBNSA-N 1 3 376.957 3.844 20 0 GHADHO CC(C)c1ccc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c(Cl)n1 ZINC001280184124 1048121383 /nfs/dbraw/zinc/12/13/83/1048121383.db2.gz IDHCZYKHFSCNQQ-OAQYLSRUSA-N 1 3 378.992 3.708 20 0 GHADHO C[C@@H](C(=O)OC(C)(C)C)N1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280216738 1048128747 /nfs/dbraw/zinc/12/87/47/1048128747.db2.gz GTOWMPNYBGDYRF-HRCADAONSA-N 1 3 378.479 3.703 20 0 GHADHO C[C@@H](C(=O)OC(C)(C)C)N1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280216738 1048128756 /nfs/dbraw/zinc/12/87/56/1048128756.db2.gz GTOWMPNYBGDYRF-HRCADAONSA-N 1 3 378.479 3.703 20 0 GHADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)[C@@H]1c1ccccc1 ZINC001306178835 1048495709 /nfs/dbraw/zinc/49/57/09/1048495709.db2.gz KXDUHHIYNQTKHS-ZJOUEHCJSA-N 1 3 383.561 3.694 20 0 GHADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)[C@@H]1c1ccccc1 ZINC001306178835 1048495717 /nfs/dbraw/zinc/49/57/17/1048495717.db2.gz KXDUHHIYNQTKHS-ZJOUEHCJSA-N 1 3 383.561 3.694 20 0 GHADHO COCC[C@H](c1ccccc1)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001307459257 1049296258 /nfs/dbraw/zinc/29/62/58/1049296258.db2.gz ROURKRLNERQKBW-XMMPIXPASA-N 1 3 381.564 3.514 20 0 GHADHO COCC[C@H](c1ccccc1)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001307459257 1049296273 /nfs/dbraw/zinc/29/62/73/1049296273.db2.gz ROURKRLNERQKBW-XMMPIXPASA-N 1 3 381.564 3.514 20 0 GHADHO Cc1cc(C)c(/C=C\CNCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC001308245369 1049924817 /nfs/dbraw/zinc/92/48/17/1049924817.db2.gz WLJOVUQSWBDXCM-YFHOEESVSA-N 1 3 379.548 3.706 20 0 GHADHO C[NH+]1CCC(CNCc2cc(Br)sc2Br)CC1 ZINC001308255347 1049928186 /nfs/dbraw/zinc/92/81/86/1049928186.db2.gz ZZYNIPUNCDKVKZ-UHFFFAOYSA-N 1 3 382.165 3.705 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001308884130 1050138766 /nfs/dbraw/zinc/13/87/66/1050138766.db2.gz MHTLEMUMNGZJHI-OALUTQOASA-N 1 3 377.573 3.630 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001308884129 1050138857 /nfs/dbraw/zinc/13/88/57/1050138857.db2.gz MHTLEMUMNGZJHI-MOPGFXCFSA-N 1 3 377.573 3.630 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@H](O)c1ccc(F)cc1F)c1ccccc1O2 ZINC001335881225 1052196861 /nfs/dbraw/zinc/19/68/61/1052196861.db2.gz MCFQRJRHFQIJSC-UXHICEINSA-N 1 3 388.458 3.576 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@@H](O)c1ccc(F)cc1F)c1ccccc1O2 ZINC001335881227 1052197459 /nfs/dbraw/zinc/19/74/59/1052197459.db2.gz MCFQRJRHFQIJSC-WOJBJXKFSA-N 1 3 388.458 3.576 20 0 GHADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001313068888 1052948945 /nfs/dbraw/zinc/94/89/45/1052948945.db2.gz ITECLUYKCIQQKL-QFIPXVFZSA-N 1 3 398.595 3.701 20 0 GHADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001313068888 1052948948 /nfs/dbraw/zinc/94/89/48/1052948948.db2.gz ITECLUYKCIQQKL-QFIPXVFZSA-N 1 3 398.595 3.701 20 0 GHADHO [NH2+]=C(NCc1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849056675 1057567397 /nfs/dbraw/zinc/56/73/97/1057567397.db2.gz AKCBXLRGZYSWEE-UHFFFAOYSA-N 1 3 390.453 3.984 20 0 GHADHO CC(C)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000849091403 1057591140 /nfs/dbraw/zinc/59/11/40/1057591140.db2.gz DJIZAPBYIMKTRT-UHFFFAOYSA-N 1 3 382.527 3.882 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001441370697 1058770962 /nfs/dbraw/zinc/77/09/62/1058770962.db2.gz KAMUMHWQHHORMU-FDDCHVKYSA-N 1 3 389.559 3.890 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001441370697 1058770972 /nfs/dbraw/zinc/77/09/72/1058770972.db2.gz KAMUMHWQHHORMU-FDDCHVKYSA-N 1 3 389.559 3.890 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCCc3ccc(Cl)cc3)CC2)CC1 ZINC001442670794 1058992792 /nfs/dbraw/zinc/99/27/92/1058992792.db2.gz YNGKXDFLSNJKOG-UHFFFAOYSA-N 1 3 391.987 3.728 20 0 GHADHO CC(C)CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCN(C)CC1 ZINC001443462337 1059134322 /nfs/dbraw/zinc/13/43/22/1059134322.db2.gz MIOPSKYJQSHQGG-HSZRJFAPSA-N 1 3 397.607 3.868 20 0 GHADHO CC(C)CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCN(C)CC1 ZINC001443462337 1059134332 /nfs/dbraw/zinc/13/43/32/1059134332.db2.gz MIOPSKYJQSHQGG-HSZRJFAPSA-N 1 3 397.607 3.868 20 0 GHADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC001446718026 1059841748 /nfs/dbraw/zinc/84/17/48/1059841748.db2.gz WOWAYVMAKGEBBP-UEQSERJNSA-N 1 3 397.607 3.914 20 0 GHADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC001446718026 1059841780 /nfs/dbraw/zinc/84/17/80/1059841780.db2.gz WOWAYVMAKGEBBP-UEQSERJNSA-N 1 3 397.607 3.914 20 0 GHADHO C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC001454918425 1061955587 /nfs/dbraw/zinc/95/55/87/1061955587.db2.gz DRUUOOPBXICWLG-OBXNSHGQSA-N 1 3 393.522 3.523 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)CCC2CCCCC2)CC1 ZINC001459404186 1064087022 /nfs/dbraw/zinc/08/70/22/1064087022.db2.gz ISJNPEAOSWLAOE-UHFFFAOYSA-N 1 3 385.596 3.978 20 0 GHADHO O=C(NCCN1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001464161398 1064877844 /nfs/dbraw/zinc/87/78/44/1064877844.db2.gz UJXAJEXWHFOKJA-NHCUHLMSSA-N 1 3 397.588 3.566 20 0 GHADHO O=C(NCCN1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001464161398 1064877861 /nfs/dbraw/zinc/87/78/61/1064877861.db2.gz UJXAJEXWHFOKJA-NHCUHLMSSA-N 1 3 397.588 3.566 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCCCC2 ZINC001464698563 1065162652 /nfs/dbraw/zinc/16/26/52/1065162652.db2.gz WJCJNPLIAUYQBE-IBGZPJMESA-N 1 3 391.625 3.895 20 0 GHADHO COc1ccccc1N1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC001200105321 1065230764 /nfs/dbraw/zinc/23/07/64/1065230764.db2.gz FNFWMADBGPAODV-JOCHJYFZSA-N 1 3 393.575 3.818 20 0 GHADHO C[NH+](C)[C@H](CC(=O)N1CCN(c2ccnc3ccccc32)CC1)c1ccccc1 ZINC001467962601 1067546702 /nfs/dbraw/zinc/54/67/02/1067546702.db2.gz FXZKLXINWZBYNN-HSZRJFAPSA-N 1 3 388.515 3.576 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)c2cccs2)CC1 ZINC001468008399 1067563073 /nfs/dbraw/zinc/56/30/73/1067563073.db2.gz GWOKGIDKVOHWET-SFHVURJKSA-N 1 3 392.613 3.552 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCC[N@H+]2CCC(C)(C)C2)c2cccs2)CC1 ZINC001468008399 1067563076 /nfs/dbraw/zinc/56/30/76/1067563076.db2.gz GWOKGIDKVOHWET-SFHVURJKSA-N 1 3 392.613 3.552 20 0 GHADHO CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001468021845 1067569149 /nfs/dbraw/zinc/56/91/49/1067569149.db2.gz YTGDJPHGJYSYFG-JOCHJYFZSA-N 1 3 388.600 3.759 20 0 GHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001468351927 1067698883 /nfs/dbraw/zinc/69/88/83/1067698883.db2.gz SHXYHAZXKYPHKX-FPOVZHCZSA-N 1 3 388.600 3.798 20 0 GHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001468351927 1067698885 /nfs/dbraw/zinc/69/88/85/1067698885.db2.gz SHXYHAZXKYPHKX-FPOVZHCZSA-N 1 3 388.600 3.798 20 0 GHADHO C[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000849101174 1067728823 /nfs/dbraw/zinc/72/88/23/1067728823.db2.gz SHWKJAOAKFDHPA-MRXNPFEDSA-N 1 3 386.490 3.847 20 0 GHADHO C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C(C)(C)C ZINC001477866194 1078601409 /nfs/dbraw/zinc/60/14/09/1078601409.db2.gz FSSXIGHRNSZIOL-RTWAWAEBSA-N 1 3 388.600 3.707 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001468947556 1067935787 /nfs/dbraw/zinc/93/57/87/1067935787.db2.gz PYKRHOICTPGNCB-RTBURBONSA-N 1 3 380.964 3.506 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001468947556 1067935790 /nfs/dbraw/zinc/93/57/90/1067935790.db2.gz PYKRHOICTPGNCB-RTBURBONSA-N 1 3 380.964 3.506 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001468978407 1067942983 /nfs/dbraw/zinc/94/29/83/1067942983.db2.gz TVOOFBFDSFYECB-MJGOQNOKSA-N 1 3 392.613 3.647 20 0 GHADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001468978407 1067942986 /nfs/dbraw/zinc/94/29/86/1067942986.db2.gz TVOOFBFDSFYECB-MJGOQNOKSA-N 1 3 392.613 3.647 20 0 GHADHO CC(C)N1CCC[C@H]1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001359858595 1068224896 /nfs/dbraw/zinc/22/48/96/1068224896.db2.gz OONWRDMQCPPVQN-FQEVSTJZSA-N 1 3 377.960 3.637 20 0 GHADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001359858595 1068224907 /nfs/dbraw/zinc/22/49/07/1068224907.db2.gz OONWRDMQCPPVQN-FQEVSTJZSA-N 1 3 377.960 3.637 20 0 GHADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001359858595 1068224913 /nfs/dbraw/zinc/22/49/13/1068224913.db2.gz OONWRDMQCPPVQN-FQEVSTJZSA-N 1 3 377.960 3.637 20 0 GHADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001469706619 1068326497 /nfs/dbraw/zinc/32/64/97/1068326497.db2.gz JEIXGTMFSDFWEP-RBBKRZOGSA-N 1 3 388.600 3.516 20 0 GHADHO CSc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC001469757370 1068364381 /nfs/dbraw/zinc/36/43/81/1068364381.db2.gz BTBMOAFGAKETTO-PXNSSMCTSA-N 1 3 392.613 3.575 20 0 GHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc(OC(F)F)c1 ZINC001474084459 1074258168 /nfs/dbraw/zinc/25/81/68/1074258168.db2.gz KNXMAAGFUQJOSK-LJQANCHMSA-N 1 3 376.447 3.535 20 0 GHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc(OC(F)F)c1 ZINC001474084459 1074258173 /nfs/dbraw/zinc/25/81/73/1074258173.db2.gz KNXMAAGFUQJOSK-LJQANCHMSA-N 1 3 376.447 3.535 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC001474235956 1074303645 /nfs/dbraw/zinc/30/36/45/1074303645.db2.gz ZZYCOPRRACJCLI-PKOBYXMFSA-N 1 3 383.502 3.761 20 0 GHADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Br)cc(Br)c3)[C@@H]2C1 ZINC001474302873 1074331312 /nfs/dbraw/zinc/33/13/12/1074331312.db2.gz JCDGBUNPVHFTLN-NILFDRSVSA-N 1 3 388.147 3.641 20 0 GHADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Br)cc(Br)c3)[C@@H]2C1 ZINC001474302872 1074331571 /nfs/dbraw/zinc/33/15/71/1074331571.db2.gz JCDGBUNPVHFTLN-GLQYFDAESA-N 1 3 388.147 3.641 20 0 GHADHO CN(C)Cc1ccc(CN2CCC(CCC[NH+](C)C)CC2)c2c1OC(F)(F)O2 ZINC001474342717 1074352506 /nfs/dbraw/zinc/35/25/06/1074352506.db2.gz DOLINWWTUDMUFN-UHFFFAOYSA-N 1 3 397.510 3.624 20 0 GHADHO Cc1c(Br)cccc1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001474602340 1074479687 /nfs/dbraw/zinc/47/96/87/1074479687.db2.gz PNCJTXZQFOJETJ-UHFFFAOYSA-N 1 3 381.358 3.881 20 0 GHADHO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ncccc2CN2CCCC2)cc1 ZINC001164622282 719111854 /nfs/dbraw/zinc/11/18/54/719111854.db2.gz BPRWQZKCRXMCQY-GMAHTHKFSA-N 1 3 376.548 3.778 20 0 GHADHO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ncccc2CN2CCCC2)cc1 ZINC001164622282 719111867 /nfs/dbraw/zinc/11/18/67/719111867.db2.gz BPRWQZKCRXMCQY-GMAHTHKFSA-N 1 3 376.548 3.778 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3Cc3ccccc3C)CC2)CC1 ZINC000654793081 834570748 /nfs/dbraw/zinc/57/07/48/834570748.db2.gz OQZKGNNEQVWGJA-XMMPIXPASA-N 1 3 397.607 3.725 20 0 GHADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000128139176 834614399 /nfs/dbraw/zinc/61/43/99/834614399.db2.gz AADDKLDZSDZLEL-INIZCTEOSA-N 1 3 394.357 3.584 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC(C)(C)C)cc3)CC2)CC1 ZINC000654829251 834626941 /nfs/dbraw/zinc/62/69/41/834626941.db2.gz KTLGDKGPZBRXEJ-UHFFFAOYSA-N 1 3 387.568 3.999 20 0 GHADHO Cc1cc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)sc1Br ZINC000375755999 834631269 /nfs/dbraw/zinc/63/12/69/834631269.db2.gz HLVGGBOUUAWZFU-KGLIPLIRSA-N 1 3 387.387 3.971 20 0 GHADHO C[C@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511286079 834994775 /nfs/dbraw/zinc/99/47/75/834994775.db2.gz LCEHQYDZHMVXIE-LNSLMDJYSA-N 1 3 390.616 3.545 20 0 GHADHO C[C@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511286079 834994784 /nfs/dbraw/zinc/99/47/84/834994784.db2.gz LCEHQYDZHMVXIE-LNSLMDJYSA-N 1 3 390.616 3.545 20 0 GHADHO Cc1cccn2cc(COc3ccc(CN(C)[C@H]4CC[N@@H+](C)C[C@@H]4C)cc3)nc12 ZINC000685470407 835032959 /nfs/dbraw/zinc/03/29/59/835032959.db2.gz MQUIAQIRRWBTEK-CVDCTZTESA-N 1 3 392.547 3.994 20 0 GHADHO Cc1cccn2cc(COc3ccc(CN(C)[C@H]4CC[N@H+](C)C[C@@H]4C)cc3)nc12 ZINC000685470407 835032966 /nfs/dbraw/zinc/03/29/66/835032966.db2.gz MQUIAQIRRWBTEK-CVDCTZTESA-N 1 3 392.547 3.994 20 0 GHADHO COC[C@]1(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)OCCc2ccccc21 ZINC000685655557 835269167 /nfs/dbraw/zinc/26/91/67/835269167.db2.gz JXYIFBWGLQDARM-ZPZUNKDASA-N 1 3 394.559 3.601 20 0 GHADHO COC[C@]1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)OCCc2ccccc21 ZINC000685655557 835269174 /nfs/dbraw/zinc/26/91/74/835269174.db2.gz JXYIFBWGLQDARM-ZPZUNKDASA-N 1 3 394.559 3.601 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969288 835320419 /nfs/dbraw/zinc/32/04/19/835320419.db2.gz LVWOBYZNAMTTLW-DNVCBOLYSA-N 1 3 375.463 3.827 20 0 GHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969288 835320428 /nfs/dbraw/zinc/32/04/28/835320428.db2.gz LVWOBYZNAMTTLW-DNVCBOLYSA-N 1 3 375.463 3.827 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000658074090 835398982 /nfs/dbraw/zinc/39/89/82/835398982.db2.gz RKBYXMMHOTVQEL-DSNGMDLFSA-N 1 3 391.559 3.713 20 0 GHADHO CC(=O)NCc1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000658074090 835398994 /nfs/dbraw/zinc/39/89/94/835398994.db2.gz RKBYXMMHOTVQEL-DSNGMDLFSA-N 1 3 391.559 3.713 20 0 GHADHO COc1ccc([C@@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137098 835461500 /nfs/dbraw/zinc/46/15/00/835461500.db2.gz JZRBJOLZWKQXQH-XXBNENTESA-N 1 3 386.511 3.888 20 0 GHADHO COc1ccc([C@@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137098 835461505 /nfs/dbraw/zinc/46/15/05/835461505.db2.gz JZRBJOLZWKQXQH-XXBNENTESA-N 1 3 386.511 3.888 20 0 GHADHO COCCOc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168771 835482677 /nfs/dbraw/zinc/48/26/77/835482677.db2.gz YQIFMHXEZULNEP-IBGZPJMESA-N 1 3 383.536 3.670 20 0 GHADHO CC(C)[C@@H](NCCC[NH+]1CCC(O)CC1)c1cc(F)cc(Br)c1 ZINC000657844635 835922377 /nfs/dbraw/zinc/92/23/77/835922377.db2.gz IJYRLWAXHCBUJN-GOSISDBHSA-N 1 3 387.337 3.722 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3ccc4c(c3)oc(=O)n4C)cc2)C1 ZINC000509895396 844147010 /nfs/dbraw/zinc/14/70/10/844147010.db2.gz ACINACHJLPOATR-QGZVFWFLSA-N 1 3 379.504 3.653 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc4c(c3)oc(=O)n4C)cc2)C1 ZINC000509895396 844147014 /nfs/dbraw/zinc/14/70/14/844147014.db2.gz ACINACHJLPOATR-QGZVFWFLSA-N 1 3 379.504 3.653 20 0 GHADHO CCOc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414320502 837106084 /nfs/dbraw/zinc/10/60/84/837106084.db2.gz CDIVNAXZFDPTMC-GOSISDBHSA-N 1 3 395.547 3.633 20 0 GHADHO C[NH+]1CCN(c2ccc(CN[C@H]3CCc4cc(Cl)cc(Cl)c43)cn2)CC1 ZINC000134306982 837232260 /nfs/dbraw/zinc/23/22/60/837232260.db2.gz RDYHODDNGKTDFF-SFHVURJKSA-N 1 3 391.346 3.917 20 0 GHADHO CN1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(Cl)cc(Cl)c43)cn2)CC1 ZINC000134306982 837232270 /nfs/dbraw/zinc/23/22/70/837232270.db2.gz RDYHODDNGKTDFF-SFHVURJKSA-N 1 3 391.346 3.917 20 0 GHADHO CN1CCN(c2cc(CN[C@@H]3CCc4cc(Cl)cc(Cl)c43)ccn2)CC1 ZINC000134321196 837259923 /nfs/dbraw/zinc/25/99/23/837259923.db2.gz UTGZGAGPBKDDGN-GOSISDBHSA-N 1 3 391.346 3.917 20 0 GHADHO CN1CCN(c2cc(C[NH2+][C@@H]3CCc4cc(Cl)cc(Cl)c43)ccn2)CC1 ZINC000134321196 837259930 /nfs/dbraw/zinc/25/99/30/837259930.db2.gz UTGZGAGPBKDDGN-GOSISDBHSA-N 1 3 391.346 3.917 20 0 GHADHO C[NH+]1CCN(c2cc(CN[C@@H]3CCc4cc(Cl)cc(Cl)c43)ccn2)CC1 ZINC000134321196 837259939 /nfs/dbraw/zinc/25/99/39/837259939.db2.gz UTGZGAGPBKDDGN-GOSISDBHSA-N 1 3 391.346 3.917 20 0 GHADHO Cc1cnn(CCCCC[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000177504056 837985762 /nfs/dbraw/zinc/98/57/62/837985762.db2.gz MBHWOHPQFMCABT-NHCUHLMSSA-N 1 3 376.589 3.573 20 0 GHADHO CN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659248306 838005456 /nfs/dbraw/zinc/00/54/56/838005456.db2.gz VYBYPPVHFXXVCP-PKTZIBPZSA-N 1 3 391.559 3.802 20 0 GHADHO CC1CCN([C@@H](CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)c2cccs2)CC1 ZINC000659262660 838026061 /nfs/dbraw/zinc/02/60/61/838026061.db2.gz KSYRNEOQUYKYDR-PMACEKPBSA-N 1 3 383.561 3.872 20 0 GHADHO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000415982082 838350494 /nfs/dbraw/zinc/35/04/94/838350494.db2.gz DABUIRYOBNZGQC-UHFFFAOYSA-N 1 3 388.556 3.535 20 0 GHADHO C[C@H](c1ccc(F)cc1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179448696 838363334 /nfs/dbraw/zinc/36/33/34/838363334.db2.gz HXFNUZOMAUGFBW-GOSISDBHSA-N 1 3 375.532 3.591 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccsc1 ZINC000659433838 838381876 /nfs/dbraw/zinc/38/18/76/838381876.db2.gz GPGYOYWWTFICGX-UYAOXDASSA-N 1 3 392.613 3.552 20 0 GHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(CC(F)(F)F)cc2)C1 ZINC000631109921 838504824 /nfs/dbraw/zinc/50/48/24/838504824.db2.gz IKNROZMIAHNGPE-HXUWFJFHSA-N 1 3 378.438 3.648 20 0 GHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(CC(F)(F)F)cc2)C1 ZINC000631109921 838504832 /nfs/dbraw/zinc/50/48/32/838504832.db2.gz IKNROZMIAHNGPE-HXUWFJFHSA-N 1 3 378.438 3.648 20 0 GHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cnc4ccccc4n3)CC2)c1 ZINC000589837285 838557830 /nfs/dbraw/zinc/55/78/30/838557830.db2.gz OJFUGQPDCWEKAT-UHFFFAOYSA-N 1 3 389.547 3.630 20 0 GHADHO CC1(C)Cc2cc(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)ccc2O1 ZINC000180986141 838693798 /nfs/dbraw/zinc/69/37/98/838693798.db2.gz QFRGHFWWRXAPLF-JOCHJYFZSA-N 1 3 380.532 3.647 20 0 GHADHO CC1(C)Cc2cc(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)ccc2O1 ZINC000180986141 838693803 /nfs/dbraw/zinc/69/38/03/838693803.db2.gz QFRGHFWWRXAPLF-JOCHJYFZSA-N 1 3 380.532 3.647 20 0 GHADHO CN1CCCC[C@@H]1CC[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000472684371 839126005 /nfs/dbraw/zinc/12/60/05/839126005.db2.gz IQOXTUNULASJNK-YLJYHZDGSA-N 1 3 375.944 3.962 20 0 GHADHO CCC1(CC)CCC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000473421057 844407896 /nfs/dbraw/zinc/40/78/96/844407896.db2.gz LHNWZWLAOIJQRR-UHFFFAOYSA-N 1 3 378.605 3.593 20 0 GHADHO C[C@H](NC1CCC(C[NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000415101236 839205410 /nfs/dbraw/zinc/20/54/10/839205410.db2.gz HILBCKQXZIFHHP-BZUNDVKYSA-N 1 3 379.302 3.667 20 0 GHADHO CCOc1c(Cl)cccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415141004 839268078 /nfs/dbraw/zinc/26/80/78/839268078.db2.gz ZZKNVHBKLSYNLA-UHFFFAOYSA-N 1 3 387.955 3.822 20 0 GHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000255497958 839453956 /nfs/dbraw/zinc/45/39/56/839453956.db2.gz SACXSQMACWQMIE-WAYWQWQTSA-N 1 3 391.987 3.769 20 0 GHADHO [NH3+]CCC[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000416838402 840207795 /nfs/dbraw/zinc/20/77/95/840207795.db2.gz JCQZKYQWAZVQEV-RTBURBONSA-N 1 3 386.565 3.664 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829277 840299244 /nfs/dbraw/zinc/29/92/44/840299244.db2.gz HHYHSCDPLUNARE-FYYLOGMGSA-N 1 3 390.527 3.691 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829277 840299264 /nfs/dbraw/zinc/29/92/64/840299264.db2.gz HHYHSCDPLUNARE-FYYLOGMGSA-N 1 3 390.527 3.691 20 0 GHADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000418499516 840333909 /nfs/dbraw/zinc/33/39/09/840333909.db2.gz YDXOBHKIKOATQO-OALUTQOASA-N 1 3 380.536 3.512 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)N2CCCC2)cc1 ZINC000417352699 840749339 /nfs/dbraw/zinc/74/93/39/840749339.db2.gz GUXMETSBUGEERI-XMSQKQJNSA-N 1 3 380.536 3.651 20 0 GHADHO Cc1ccc(-c2n[nH]cc2CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000093844212 840824872 /nfs/dbraw/zinc/82/48/72/840824872.db2.gz RWLSLVGHZVBZTM-QZTJIDSGSA-N 1 3 386.540 3.689 20 0 GHADHO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000093844212 840824881 /nfs/dbraw/zinc/82/48/81/840824881.db2.gz RWLSLVGHZVBZTM-QZTJIDSGSA-N 1 3 386.540 3.689 20 0 GHADHO C[C@H]1C[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000512571371 844590153 /nfs/dbraw/zinc/59/01/53/844590153.db2.gz BAIRWHGNGALUQM-UGKGYDQZSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@H]1C[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000512571371 844590159 /nfs/dbraw/zinc/59/01/59/844590159.db2.gz BAIRWHGNGALUQM-UGKGYDQZSA-N 1 3 379.548 3.779 20 0 GHADHO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2ccccc2)cn1 ZINC000651673207 841302613 /nfs/dbraw/zinc/30/26/13/841302613.db2.gz AKLGKCPYSGRQJK-LJQANCHMSA-N 1 3 387.531 3.746 20 0 GHADHO C[NH+]1CCC(CN2CCN(Cc3ccc(Cl)cc3C(F)(F)F)CC2)CC1 ZINC001143509055 841441906 /nfs/dbraw/zinc/44/19/06/841441906.db2.gz ZHYPZKKMVFGQBO-UHFFFAOYSA-N 1 3 389.893 3.818 20 0 GHADHO COc1ccc(OCc2ccccn2)c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784332 841922063 /nfs/dbraw/zinc/92/20/63/841922063.db2.gz AMVJZVOMTRIXRO-HXUWFJFHSA-N 1 3 395.547 3.881 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccccc2N2CCCCC2)C1 ZINC000893490022 842051771 /nfs/dbraw/zinc/05/17/71/842051771.db2.gz LLEJDUJREXTTPK-QHCPKHFHSA-N 1 3 379.548 3.533 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccccc2N2CCCCC2)C1 ZINC000893490022 842051785 /nfs/dbraw/zinc/05/17/85/842051785.db2.gz LLEJDUJREXTTPK-QHCPKHFHSA-N 1 3 379.548 3.533 20 0 GHADHO CN1CC[C@@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1(C)C ZINC000623643444 861266864 /nfs/dbraw/zinc/26/68/64/861266864.db2.gz YLVNITCHHQTWDF-KNQAVFIVSA-N 1 3 377.532 3.846 20 0 GHADHO CCN1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000600441779 842167302 /nfs/dbraw/zinc/16/73/02/842167302.db2.gz NKHRVXXBILEQFL-VQTJNVASSA-N 1 3 387.568 3.544 20 0 GHADHO CCN1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000600441779 842167305 /nfs/dbraw/zinc/16/73/05/842167305.db2.gz NKHRVXXBILEQFL-VQTJNVASSA-N 1 3 387.568 3.544 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000512177686 842761026 /nfs/dbraw/zinc/76/10/26/842761026.db2.gz DOWHDBYEUONUES-VWLOTQADSA-N 1 3 395.591 3.898 20 0 GHADHO CCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662158686 842778546 /nfs/dbraw/zinc/77/85/46/842778546.db2.gz XDLLQCTWUSSAJB-INIZCTEOSA-N 1 3 399.501 3.559 20 0 GHADHO Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313196 843121146 /nfs/dbraw/zinc/12/11/46/843121146.db2.gz GFJZIJQKCYRBKC-CXAGYDPISA-N 1 3 382.346 3.535 20 0 GHADHO FC(F)(F)c1ccc(Cn2cc(CN3CCC4(CC[NH2+]C4)CC3)cn2)cc1 ZINC000430906469 843164346 /nfs/dbraw/zinc/16/43/46/843164346.db2.gz LHSJDFWZBBUARG-UHFFFAOYSA-N 1 3 378.442 3.526 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000662389658 843177939 /nfs/dbraw/zinc/17/79/39/843177939.db2.gz YTXLZZJHDLODSA-WZONZLPQSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000662389658 843177946 /nfs/dbraw/zinc/17/79/46/843177946.db2.gz YTXLZZJHDLODSA-WZONZLPQSA-N 1 3 377.532 3.769 20 0 GHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc4c(s3)CCNC4)cc2)C1 ZINC000662388848 843184972 /nfs/dbraw/zinc/18/49/72/843184972.db2.gz UUEHJWBCGRAMNH-MRXNPFEDSA-N 1 3 383.561 3.556 20 0 GHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc4c(s3)CCNC4)cc2)C1 ZINC000662388848 843184974 /nfs/dbraw/zinc/18/49/74/843184974.db2.gz UUEHJWBCGRAMNH-MRXNPFEDSA-N 1 3 383.561 3.556 20 0 GHADHO COc1ccc([C@@H](C)CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1 ZINC001167881567 843202431 /nfs/dbraw/zinc/20/24/31/843202431.db2.gz OKUAJUFWSCEQRM-FQEVSTJZSA-N 1 3 397.563 3.561 20 0 GHADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000431032669 843476467 /nfs/dbraw/zinc/47/64/67/843476467.db2.gz KMTHZJBJFIJOBW-UHFFFAOYSA-N 1 3 387.543 3.563 20 0 GHADHO CC1CCN([C@@H](CNC(=O)c2cccc3c2CC[NH2+]C3)c2cccs2)CC1 ZINC000662663548 843505857 /nfs/dbraw/zinc/50/58/57/843505857.db2.gz NYYSCDUBIJJYRH-FQEVSTJZSA-N 1 3 383.561 3.597 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431062716 843524722 /nfs/dbraw/zinc/52/47/22/843524722.db2.gz SQIZMTKGTKWPOJ-AVRDEDQJSA-N 1 3 390.531 3.555 20 0 GHADHO CN(C)Cc1cnc(CNCc2ccccc2CN(C)Cc2ccco2)s1 ZINC000511990046 843694471 /nfs/dbraw/zinc/69/44/71/843694471.db2.gz NERPYHSJQLNYKR-UHFFFAOYSA-N 1 3 384.549 3.720 20 0 GHADHO CN(C)Cc1cnc(CNCc2ccccc2C[N@H+](C)Cc2ccco2)s1 ZINC000511990046 843694476 /nfs/dbraw/zinc/69/44/76/843694476.db2.gz NERPYHSJQLNYKR-UHFFFAOYSA-N 1 3 384.549 3.720 20 0 GHADHO CN(C)Cc1cnc(CNCc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000511990046 843694477 /nfs/dbraw/zinc/69/44/77/843694477.db2.gz NERPYHSJQLNYKR-UHFFFAOYSA-N 1 3 384.549 3.720 20 0 GHADHO CC[C@H]1CN(Cc2cc(C[N@@H+]3CCCO[C@@H](CC)C3)cc(OC)c2)CCCO1 ZINC000433210721 843860200 /nfs/dbraw/zinc/86/02/00/843860200.db2.gz XJZSUYAGYHHNSN-VXKWHMMOSA-N 1 3 390.568 3.697 20 0 GHADHO CC[C@H]1CN(Cc2cc(C[N@H+]3CCCO[C@@H](CC)C3)cc(OC)c2)CCCO1 ZINC000433210721 843860205 /nfs/dbraw/zinc/86/02/05/843860205.db2.gz XJZSUYAGYHHNSN-VXKWHMMOSA-N 1 3 390.568 3.697 20 0 GHADHO C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000500727266 843894253 /nfs/dbraw/zinc/89/42/53/843894253.db2.gz AZVBYEFOZYUBCE-CTNGQTDRSA-N 1 3 398.595 3.523 20 0 GHADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)COc1ccccc1 ZINC000576150281 843912962 /nfs/dbraw/zinc/91/29/62/843912962.db2.gz LUBGRTWJZKLQCM-FQEVSTJZSA-N 1 3 388.939 3.582 20 0 GHADHO CN1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000179102913 861469972 /nfs/dbraw/zinc/46/99/72/861469972.db2.gz BZEHIXAWUKCRNC-GOTSBHOMSA-N 1 3 392.547 3.527 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000512650060 844885901 /nfs/dbraw/zinc/88/59/01/844885901.db2.gz WUTFAZFWXFAVCJ-AFXVXQJMSA-N 1 3 384.564 3.605 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000411445976 845448151 /nfs/dbraw/zinc/44/81/51/845448151.db2.gz BDUYCSHKZACHCC-QFIPXVFZSA-N 1 3 375.532 3.636 20 0 GHADHO CCn1nc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000472049634 845592331 /nfs/dbraw/zinc/59/23/31/845592331.db2.gz SCISEIDCPOHNBL-UHFFFAOYSA-N 1 3 391.563 3.748 20 0 GHADHO CCn1nc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000472049634 845592336 /nfs/dbraw/zinc/59/23/36/845592336.db2.gz SCISEIDCPOHNBL-UHFFFAOYSA-N 1 3 391.563 3.748 20 0 GHADHO C[C@@H](NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000625325015 861611666 /nfs/dbraw/zinc/61/16/66/861611666.db2.gz GEODHGKCLBBAIM-SLFFLAALSA-N 1 3 379.548 3.610 20 0 GHADHO CCCC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)CC1 ZINC000673772765 861657486 /nfs/dbraw/zinc/65/74/86/861657486.db2.gz ICQOEFPRHRAUNT-HXUWFJFHSA-N 1 3 386.584 3.557 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000617975538 846498925 /nfs/dbraw/zinc/49/89/25/846498925.db2.gz XBDOYMKAGUNSCU-UHFFFAOYSA-N 1 3 394.563 3.565 20 0 GHADHO CCN(C(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501050888 846578324 /nfs/dbraw/zinc/57/83/24/846578324.db2.gz LWROPCKAAUCTNQ-LJQANCHMSA-N 1 3 380.536 3.671 20 0 GHADHO Cc1cc(Cl)cc(C)c1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414560944 846696260 /nfs/dbraw/zinc/69/62/60/846696260.db2.gz XVLPRVVQGJCSRS-UHFFFAOYSA-N 1 3 399.966 3.944 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](c4ccccc4)C3(C)C)CC2)CC1 ZINC000422149939 846854519 /nfs/dbraw/zinc/85/45/19/846854519.db2.gz BJEGLMCRRHZEAR-QFIPXVFZSA-N 1 3 398.595 3.523 20 0 GHADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)cc2)CC1 ZINC000501416938 846903032 /nfs/dbraw/zinc/90/30/32/846903032.db2.gz FYGWRCSHZIFOQC-VWNXMTODSA-N 1 3 378.564 3.645 20 0 GHADHO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000268709230 847560180 /nfs/dbraw/zinc/56/01/80/847560180.db2.gz FYNAESGCKZIDBX-IBGZPJMESA-N 1 3 375.520 3.625 20 0 GHADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733407 847788300 /nfs/dbraw/zinc/78/83/00/847788300.db2.gz QXYUMTUJSZMFAT-NDXORKPFSA-N 1 3 391.481 3.828 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733407 847788304 /nfs/dbraw/zinc/78/83/04/847788304.db2.gz QXYUMTUJSZMFAT-NDXORKPFSA-N 1 3 391.481 3.828 20 0 GHADHO FC(F)(F)COc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800946 847828823 /nfs/dbraw/zinc/82/88/23/847828823.db2.gz DINCUBBIASBQHZ-AZUAARDMSA-N 1 3 392.421 3.973 20 0 GHADHO Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Br ZINC000657596610 848298198 /nfs/dbraw/zinc/29/81/98/848298198.db2.gz OXOZRYMYJRVHDP-LJQANCHMSA-N 1 3 389.337 3.614 20 0 GHADHO Cc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Br ZINC000657596610 848298208 /nfs/dbraw/zinc/29/82/08/848298208.db2.gz OXOZRYMYJRVHDP-LJQANCHMSA-N 1 3 389.337 3.614 20 0 GHADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN1Cc1ccccc1 ZINC000657613256 848326765 /nfs/dbraw/zinc/32/67/65/848326765.db2.gz JSHNLMRFDPHSFD-HYBUGGRVSA-N 1 3 378.564 3.546 20 0 GHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000180086876 861944315 /nfs/dbraw/zinc/94/43/15/861944315.db2.gz KNXXCCMPZRNHJE-NRFANRHFSA-N 1 3 385.939 3.872 20 0 GHADHO CC(C)[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000604193863 861957238 /nfs/dbraw/zinc/95/72/38/861957238.db2.gz ZOPCWMSQCTWFDZ-VXKWHMMOSA-N 1 3 386.584 3.633 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)(C)c4ccccc43)CC2)CC1 ZINC000583331731 849636845 /nfs/dbraw/zinc/63/68/45/849636845.db2.gz MJYAQZBPRPFTCC-UHFFFAOYSA-N 1 3 383.580 3.897 20 0 GHADHO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@H]1CCCCN1 ZINC000423187408 849794715 /nfs/dbraw/zinc/79/47/15/849794715.db2.gz PHDYOZHDKBINTO-DNVCBOLYSA-N 1 3 380.374 3.534 20 0 GHADHO C[C@@H](NC1CCN(Cc2cccc(Br)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423187408 849794723 /nfs/dbraw/zinc/79/47/23/849794723.db2.gz PHDYOZHDKBINTO-DNVCBOLYSA-N 1 3 380.374 3.534 20 0 GHADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292671 849841918 /nfs/dbraw/zinc/84/19/18/849841918.db2.gz NVEHQWHLUIZTCF-SJORKVTESA-N 1 3 389.565 3.588 20 0 GHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424166664 850274193 /nfs/dbraw/zinc/27/41/93/850274193.db2.gz GJMCTKPETQSQIH-GHTZIAJQSA-N 1 3 386.584 3.801 20 0 GHADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C[C@H]21 ZINC000435383803 850448624 /nfs/dbraw/zinc/44/86/24/850448624.db2.gz KCNZRDKYDMHFQP-MDNUFGMLSA-N 1 3 387.531 3.553 20 0 GHADHO COCCOc1ccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435430902 850514855 /nfs/dbraw/zinc/51/48/55/850514855.db2.gz FUICFMJIRMTVJV-NRFANRHFSA-N 1 3 386.561 3.918 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)c1ccsc1 ZINC000487857337 850936813 /nfs/dbraw/zinc/93/68/13/850936813.db2.gz JOTJCDIVJHZXKI-ONCXSQPRSA-N 1 3 392.613 3.503 20 0 GHADHO CCN(CC)[C@H](CNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)c1ccsc1 ZINC000487857337 850936820 /nfs/dbraw/zinc/93/68/20/850936820.db2.gz JOTJCDIVJHZXKI-ONCXSQPRSA-N 1 3 392.613 3.503 20 0 GHADHO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CS1 ZINC000488543124 851599705 /nfs/dbraw/zinc/59/97/05/851599705.db2.gz LGEZVLNXUITRBC-VQTJNVASSA-N 1 3 389.609 3.522 20 0 GHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)c1 ZINC000473731103 851767634 /nfs/dbraw/zinc/76/76/34/851767634.db2.gz DDEFKFJBPZZNIK-QFIPXVFZSA-N 1 3 386.584 3.687 20 0 GHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)c1 ZINC000473731103 851767644 /nfs/dbraw/zinc/76/76/44/851767644.db2.gz DDEFKFJBPZZNIK-QFIPXVFZSA-N 1 3 386.584 3.687 20 0 GHADHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167981891 852019210 /nfs/dbraw/zinc/01/92/10/852019210.db2.gz ODTMJEYYGNISRF-RAFMOHDBSA-N 1 3 377.573 3.627 20 0 GHADHO C[C@@H](Nc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516268738 852365866 /nfs/dbraw/zinc/36/58/66/852365866.db2.gz QZTNJPWUUCPVKE-QPPBQGQZSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@@H](Nc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268738 852365872 /nfs/dbraw/zinc/36/58/72/852365872.db2.gz QZTNJPWUUCPVKE-QPPBQGQZSA-N 1 3 392.591 3.757 20 0 GHADHO C[C@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000489901801 852635290 /nfs/dbraw/zinc/63/52/90/852635290.db2.gz XUNVOULHCZSKEO-WOJBJXKFSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000489901801 852635296 /nfs/dbraw/zinc/63/52/96/852635296.db2.gz XUNVOULHCZSKEO-WOJBJXKFSA-N 1 3 386.584 3.555 20 0 GHADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000516579427 852747121 /nfs/dbraw/zinc/74/71/21/852747121.db2.gz WTEPHPLWEFAVIC-UGKGYDQZSA-N 1 3 386.584 3.585 20 0 GHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000490168370 852801895 /nfs/dbraw/zinc/80/18/95/852801895.db2.gz UVEBVRFRBAFHAK-JPYJTQIMSA-N 1 3 385.527 3.539 20 0 GHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H]1CCCOC1 ZINC000507473616 852947092 /nfs/dbraw/zinc/94/70/92/852947092.db2.gz VQVKNFKGKUQFPF-URXFXBBRSA-N 1 3 393.575 3.914 20 0 GHADHO Cc1ccc(F)cc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000490372863 852987063 /nfs/dbraw/zinc/98/70/63/852987063.db2.gz SDUKXUJADFOELX-UHFFFAOYSA-N 1 3 397.538 3.594 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](CCSc3ccc(Cl)cc3)CC2)CC1 ZINC000543521369 862421828 /nfs/dbraw/zinc/42/18/28/862421828.db2.gz BXLFOIDYQGEDEC-UHFFFAOYSA-N 1 3 382.017 3.782 20 0 GHADHO COc1ccc(OC(F)F)c(C[NH+]2CCC(CCCN3CCOCC3)CC2)c1 ZINC000507715733 853220211 /nfs/dbraw/zinc/22/02/11/853220211.db2.gz CLEKITQGTMMXSE-UHFFFAOYSA-N 1 3 398.494 3.621 20 0 GHADHO C[NH+](C)CCOc1ccc(CCN[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000491029736 853409001 /nfs/dbraw/zinc/40/90/01/853409001.db2.gz JZYVUAUPDHATCH-DEOSSOPVSA-N 1 3 375.516 3.944 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC=C(c3ccncc3)C2)CC1 ZINC000519851814 853545212 /nfs/dbraw/zinc/54/52/12/853545212.db2.gz SFDMBZMSQSKQNQ-UHFFFAOYSA-N 1 3 376.548 3.903 20 0 GHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC=C(c3ccncc3)C2)CC1 ZINC000519851814 853545219 /nfs/dbraw/zinc/54/52/19/853545219.db2.gz SFDMBZMSQSKQNQ-UHFFFAOYSA-N 1 3 376.548 3.903 20 0 GHADHO CCN(C(=O)Nc1ccc2c(c1)CNC2)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000415997631 853670939 /nfs/dbraw/zinc/67/09/39/853670939.db2.gz QBSKTGKDTVOBEU-VGSWGCGISA-N 1 3 378.520 3.979 20 0 GHADHO CCN(C(=O)Nc1ccc2c(c1)CNC2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415997631 853670945 /nfs/dbraw/zinc/67/09/45/853670945.db2.gz QBSKTGKDTVOBEU-VGSWGCGISA-N 1 3 378.520 3.979 20 0 GHADHO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000571026473 853691314 /nfs/dbraw/zinc/69/13/14/853691314.db2.gz XHUQGUQTTIQOLY-UHFFFAOYSA-N 1 3 381.520 3.995 20 0 GHADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891164 862505075 /nfs/dbraw/zinc/50/50/75/862505075.db2.gz GCFBNZAXNBJKIB-QWHCGFSZSA-N 1 3 391.300 3.615 20 0 GHADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891164 862505086 /nfs/dbraw/zinc/50/50/86/862505086.db2.gz GCFBNZAXNBJKIB-QWHCGFSZSA-N 1 3 391.300 3.615 20 0 GHADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000073895200 853963515 /nfs/dbraw/zinc/96/35/15/853963515.db2.gz VDFDNVPVEMIVMV-OAHLLOKOSA-N 1 3 375.340 3.538 20 0 GHADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000073895200 853963520 /nfs/dbraw/zinc/96/35/20/853963520.db2.gz VDFDNVPVEMIVMV-OAHLLOKOSA-N 1 3 375.340 3.538 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000520228476 853976049 /nfs/dbraw/zinc/97/60/49/853976049.db2.gz PBRBQPKOCUNMHS-HSZRJFAPSA-N 1 3 387.531 3.613 20 0 GHADHO c1ncn(Cc2ccccc2CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000520228476 853976054 /nfs/dbraw/zinc/97/60/54/853976054.db2.gz PBRBQPKOCUNMHS-HSZRJFAPSA-N 1 3 387.531 3.613 20 0 GHADHO C[NH+](C)CCCOc1ccc(CNCc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000186377016 854968780 /nfs/dbraw/zinc/96/87/80/854968780.db2.gz WHAAOMUFJJBSTE-UHFFFAOYSA-N 1 3 384.520 3.952 20 0 GHADHO Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)o1 ZINC000115611420 855082349 /nfs/dbraw/zinc/08/23/49/855082349.db2.gz DOIPXFMBHOJBON-UHFFFAOYSA-N 1 3 394.494 3.831 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000589773314 855135360 /nfs/dbraw/zinc/13/53/60/855135360.db2.gz SLZGOPHQCTYNFQ-QHCPKHFHSA-N 1 3 396.579 3.891 20 0 GHADHO CNC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000482064683 862666849 /nfs/dbraw/zinc/66/68/49/862666849.db2.gz BSXMPRYHZLDWEY-KAOXLYBCSA-N 1 3 377.532 3.649 20 0 GHADHO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000542727938 855575727 /nfs/dbraw/zinc/57/57/27/855575727.db2.gz MPQGZPLUDBBDGT-DEOSSOPVSA-N 1 3 387.527 3.601 20 0 GHADHO C[C@H]1CC(NCCN(C)C(=O)OC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007410 856077642 /nfs/dbraw/zinc/07/76/42/856077642.db2.gz RYAMUKBEUVFPDL-ROUUACIJSA-N 1 3 375.557 3.885 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000465826728 856154513 /nfs/dbraw/zinc/15/45/13/856154513.db2.gz QJGLMAWRHCGZNA-YADHBBJMSA-N 1 3 386.584 3.648 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000465826728 856154517 /nfs/dbraw/zinc/15/45/17/856154517.db2.gz QJGLMAWRHCGZNA-YADHBBJMSA-N 1 3 386.584 3.648 20 0 GHADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000591582338 856163757 /nfs/dbraw/zinc/16/37/57/856163757.db2.gz JFBPKHFKDYYUAG-RHSMWYFYSA-N 1 3 398.332 3.877 20 0 GHADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000700809965 856196889 /nfs/dbraw/zinc/19/68/89/856196889.db2.gz XNYXLKOAWSUSDL-UAFMIMERSA-N 1 3 379.589 3.876 20 0 GHADHO Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1Cl ZINC000195442411 856419865 /nfs/dbraw/zinc/41/98/65/856419865.db2.gz KRLFQIIZJWZPDJ-FQEVSTJZSA-N 1 3 385.939 3.636 20 0 GHADHO Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1Cl ZINC000195442411 856419870 /nfs/dbraw/zinc/41/98/70/856419870.db2.gz KRLFQIIZJWZPDJ-FQEVSTJZSA-N 1 3 385.939 3.636 20 0 GHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000485481863 856654536 /nfs/dbraw/zinc/65/45/36/856654536.db2.gz QWHNWOWFEKAOCZ-HXUWFJFHSA-N 1 3 398.595 3.872 20 0 GHADHO CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000658296132 857273944 /nfs/dbraw/zinc/27/39/44/857273944.db2.gz GNULUIXNSBNECL-LNRXMEIDSA-N 1 3 383.580 3.524 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058879874 857372228 /nfs/dbraw/zinc/37/22/28/857372228.db2.gz NWJRFHSUUDGDOX-QFIPXVFZSA-N 1 3 397.538 3.628 20 0 GHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058879874 857372235 /nfs/dbraw/zinc/37/22/35/857372235.db2.gz NWJRFHSUUDGDOX-QFIPXVFZSA-N 1 3 397.538 3.628 20 0 GHADHO CCO[C@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)C12CCCCC2 ZINC000676064118 857726229 /nfs/dbraw/zinc/72/62/29/857726229.db2.gz AZLDMTPRMYXKIH-RTWAWAEBSA-N 1 3 375.557 3.630 20 0 GHADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(C)c1Cl ZINC000442467919 857874902 /nfs/dbraw/zinc/87/49/02/857874902.db2.gz BVDVTGPNEZTTNB-UHFFFAOYSA-N 1 3 378.948 3.637 20 0 GHADHO C[C@@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCN1Cc1ccccc1 ZINC000466025125 857880423 /nfs/dbraw/zinc/88/04/23/857880423.db2.gz GFEKUJACAZTITJ-CTNGQTDRSA-N 1 3 388.600 3.659 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000574445150 857886203 /nfs/dbraw/zinc/88/62/03/857886203.db2.gz RPXHBSRWSDHYBN-KNKQGSTJSA-N 1 3 388.577 3.777 20 0 GHADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000574445150 857886209 /nfs/dbraw/zinc/88/62/09/857886209.db2.gz RPXHBSRWSDHYBN-KNKQGSTJSA-N 1 3 388.577 3.777 20 0 GHADHO CC1CCN([C@@H](CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)c2cccs2)CC1 ZINC000668644761 857920990 /nfs/dbraw/zinc/92/09/90/857920990.db2.gz VFJIGRHVWCFPAN-FQEVSTJZSA-N 1 3 398.576 3.624 20 0 GHADHO CN1CCN(CC[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000442878306 858198822 /nfs/dbraw/zinc/19/88/22/858198822.db2.gz SRNKEPZITGGXDA-INIZCTEOSA-N 1 3 386.367 3.823 20 0 GHADHO CN1CCN(CC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1(C)C ZINC000442879548 858200550 /nfs/dbraw/zinc/20/05/50/858200550.db2.gz WPONYTWXECPSCF-MRXNPFEDSA-N 1 3 386.403 3.577 20 0 GHADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000171056978 863022253 /nfs/dbraw/zinc/02/22/53/863022253.db2.gz LJUPUZZEPHEQRK-QFIPXVFZSA-N 1 3 386.584 3.648 20 0 GHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000482635827 858723660 /nfs/dbraw/zinc/72/36/60/858723660.db2.gz URNFEPTXWPDZMO-OXJNMPFZSA-N 1 3 397.588 3.785 20 0 GHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000482635827 858723667 /nfs/dbraw/zinc/72/36/67/858723667.db2.gz URNFEPTXWPDZMO-OXJNMPFZSA-N 1 3 397.588 3.785 20 0 GHADHO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001126943868 858921705 /nfs/dbraw/zinc/92/17/05/858921705.db2.gz IVVUSTBCTKKCPK-DNQXCXABSA-N 1 3 391.559 3.632 20 0 GHADHO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001126943868 858921719 /nfs/dbraw/zinc/92/17/19/858921719.db2.gz IVVUSTBCTKKCPK-DNQXCXABSA-N 1 3 391.559 3.632 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543238120 858989858 /nfs/dbraw/zinc/98/98/58/858989858.db2.gz FCRMMJQXODCNTF-GHTZIAJQSA-N 1 3 375.520 3.576 20 0 GHADHO Cc1nn(-c2ccncc2)cc1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543238120 858989867 /nfs/dbraw/zinc/98/98/67/858989867.db2.gz FCRMMJQXODCNTF-GHTZIAJQSA-N 1 3 375.520 3.576 20 0 GHADHO COC(=O)C1(C)CCC([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001168762532 859142166 /nfs/dbraw/zinc/14/21/66/859142166.db2.gz SCTUSXQUMXTXFD-UHFFFAOYSA-N 1 3 376.516 3.749 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3CCc3ccccc3)CC2)CC1 ZINC000568193376 859194332 /nfs/dbraw/zinc/19/43/32/859194332.db2.gz HQDKIRPHZAVQLF-DEOSSOPVSA-N 1 3 397.607 3.807 20 0 GHADHO Cc1ccccc1CN1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000645472737 859237778 /nfs/dbraw/zinc/23/77/78/859237778.db2.gz HWSDUIVHBYVESM-QFIPXVFZSA-N 1 3 379.548 3.756 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429415002 859313195 /nfs/dbraw/zinc/31/31/95/859313195.db2.gz ZWHGLKPGRUGHRE-ZODMCCGTSA-N 1 3 399.623 3.910 20 0 GHADHO C[N@@H+](Cc1ccccc1)CC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000483595739 859473468 /nfs/dbraw/zinc/47/34/68/859473468.db2.gz UFPHYAUEBABVMH-QHCPKHFHSA-N 1 3 377.532 3.784 20 0 GHADHO C[N@H+](Cc1ccccc1)CC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000483595739 859473471 /nfs/dbraw/zinc/47/34/71/859473471.db2.gz UFPHYAUEBABVMH-QHCPKHFHSA-N 1 3 377.532 3.784 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000114241506 859505990 /nfs/dbraw/zinc/50/59/90/859505990.db2.gz ARRGTIAPXYAIOA-UHFFFAOYSA-N 1 3 381.476 3.687 20 0 GHADHO Cc1ccnc([C@@H]2CCN(C/C=C/C[N@@H+]3CC[C@@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749745 859536857 /nfs/dbraw/zinc/53/68/57/859536857.db2.gz YBDBHZIMCPLHPU-NLDFZSAUSA-N 1 3 376.548 3.928 20 0 GHADHO Cc1ccnc([C@@H]2CCN(C/C=C/C[N@H+]3CC[C@@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749745 859536864 /nfs/dbraw/zinc/53/68/64/859536864.db2.gz YBDBHZIMCPLHPU-NLDFZSAUSA-N 1 3 376.548 3.928 20 0 GHADHO Brc1ncccc1CN1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001137800717 859597166 /nfs/dbraw/zinc/59/71/66/859597166.db2.gz XKABIYJUXLRQCU-UHFFFAOYSA-N 1 3 386.337 3.942 20 0 GHADHO CCN1CC[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)[C@H](C)C1 ZINC000765126260 859804574 /nfs/dbraw/zinc/80/45/74/859804574.db2.gz JJDNDEWDPVLHEV-NEWSRXKRSA-N 1 3 391.556 3.581 20 0 GHADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CC1 ZINC000484143352 859829410 /nfs/dbraw/zinc/82/94/10/859829410.db2.gz JROJSQUXGLQURV-INIZCTEOSA-N 1 3 391.968 3.887 20 0 GHADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CC1 ZINC000484143353 859829729 /nfs/dbraw/zinc/82/97/29/859829729.db2.gz JROJSQUXGLQURV-MRXNPFEDSA-N 1 3 391.968 3.887 20 0 GHADHO C[NH+]1CCC(O)(CN[C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000484161039 859854493 /nfs/dbraw/zinc/85/44/93/859854493.db2.gz IPYQDFXRAXDXAE-FQEVSTJZSA-N 1 3 376.903 3.809 20 0 GHADHO CN1CCC(O)(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000484161039 859854498 /nfs/dbraw/zinc/85/44/98/859854498.db2.gz IPYQDFXRAXDXAE-FQEVSTJZSA-N 1 3 376.903 3.809 20 0 GHADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(-c4cccs4)s3)C2)[C@H]1C(C)C ZINC000922395649 859906055 /nfs/dbraw/zinc/90/60/55/859906055.db2.gz XZVGCDULBPEMIA-CIWUYKSXSA-N 1 3 391.606 3.831 20 0 GHADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(-c4cccs4)s3)C2)[C@H]1C(C)C ZINC000922395649 859906064 /nfs/dbraw/zinc/90/60/64/859906064.db2.gz XZVGCDULBPEMIA-CIWUYKSXSA-N 1 3 391.606 3.831 20 0 GHADHO Cc1nc(C)c(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)s1 ZINC000123611178 860015520 /nfs/dbraw/zinc/01/55/20/860015520.db2.gz RJQDSUJWTFIHFZ-UHFFFAOYSA-N 1 3 389.565 3.539 20 0 GHADHO Cc1nc(C)c(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)s1 ZINC000123611178 860015530 /nfs/dbraw/zinc/01/55/30/860015530.db2.gz RJQDSUJWTFIHFZ-UHFFFAOYSA-N 1 3 389.565 3.539 20 0 GHADHO COc1ccc2c(c1)nccc2N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000765506503 860025588 /nfs/dbraw/zinc/02/55/88/860025588.db2.gz FXHPNCRGFOOCOT-UHFFFAOYSA-N 1 3 377.488 3.881 20 0 GHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000508927068 860060402 /nfs/dbraw/zinc/06/04/02/860060402.db2.gz XEVHADHQEVMRMP-AUSIDOKSSA-N 1 3 396.579 3.971 20 0 GHADHO O=c1[nH]cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc12 ZINC000922498820 860079648 /nfs/dbraw/zinc/07/96/48/860079648.db2.gz VTPFPERICANEJM-UHFFFAOYSA-N 1 3 377.488 3.705 20 0 GHADHO Cc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(-c2ccnn2C)c1 ZINC000904471572 860464709 /nfs/dbraw/zinc/46/47/09/860464709.db2.gz JDZBEGDUTFMWIA-QPPBQGQZSA-N 1 3 388.515 3.741 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)Cc3ccc(C)cc3C)CC2)CC1 ZINC000654761762 860568987 /nfs/dbraw/zinc/56/89/87/860568987.db2.gz JFQNLGRFMOAJBU-HXUWFJFHSA-N 1 3 385.596 3.547 20 0 GHADHO C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522469764 860720933 /nfs/dbraw/zinc/72/09/33/860720933.db2.gz OPDTYBSWSHYLCA-YKSBVNFPSA-N 1 3 391.559 3.777 20 0 GHADHO CO[C@@H](C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)c1ccccc1 ZINC000856604356 881580238 /nfs/dbraw/zinc/58/02/38/881580238.db2.gz NEMPDZYMDXOOML-PKTZIBPZSA-N 1 3 383.536 3.763 20 0 GHADHO CO[C@@H](C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)c1ccccc1 ZINC000856604356 881580253 /nfs/dbraw/zinc/58/02/53/881580253.db2.gz NEMPDZYMDXOOML-PKTZIBPZSA-N 1 3 383.536 3.763 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)C2)ccn1 ZINC000856604866 881582417 /nfs/dbraw/zinc/58/24/17/881582417.db2.gz SRRRTHWXTYDXCP-GGAORHGYSA-N 1 3 388.600 3.638 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@H]2CCN(C[C@H]3CCCC[N@H+]3C(C)C)C2)ccn1 ZINC000856604866 881582424 /nfs/dbraw/zinc/58/24/24/881582424.db2.gz SRRRTHWXTYDXCP-GGAORHGYSA-N 1 3 388.600 3.638 20 0 GHADHO C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000600053097 860849491 /nfs/dbraw/zinc/84/94/91/860849491.db2.gz QFSNVYNTBIQMGL-OAQYLSRUSA-N 1 3 397.607 3.807 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199462 881593069 /nfs/dbraw/zinc/59/30/69/881593069.db2.gz ZJOXSHWTRVGSKM-JYAXBFRTSA-N 1 3 398.551 3.671 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199462 881593081 /nfs/dbraw/zinc/59/30/81/881593081.db2.gz ZJOXSHWTRVGSKM-JYAXBFRTSA-N 1 3 398.551 3.671 20 0 GHADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(OCc3ccccn3)c2)C[C@H](C)O1 ZINC000062252876 863152676 /nfs/dbraw/zinc/15/26/76/863152676.db2.gz GBQSNOSHQNWUEY-PMACEKPBSA-N 1 3 383.536 3.640 20 0 GHADHO Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182238998 863160613 /nfs/dbraw/zinc/16/06/13/863160613.db2.gz HKOXPFXLQNOXOX-FYYLOGMGSA-N 1 3 380.532 3.955 20 0 GHADHO Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182238998 863160621 /nfs/dbraw/zinc/16/06/21/863160621.db2.gz HKOXPFXLQNOXOX-FYYLOGMGSA-N 1 3 380.532 3.955 20 0 GHADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734881 863165080 /nfs/dbraw/zinc/16/50/80/863165080.db2.gz IYUAZTAZQLDYAC-QFBILLFUSA-N 1 3 385.474 3.545 20 0 GHADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734881 863165089 /nfs/dbraw/zinc/16/50/89/863165089.db2.gz IYUAZTAZQLDYAC-QFBILLFUSA-N 1 3 385.474 3.545 20 0 GHADHO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000606409481 863603429 /nfs/dbraw/zinc/60/34/29/863603429.db2.gz ZFVQKISCBKBCMJ-QPPBQGQZSA-N 1 3 397.607 3.807 20 0 GHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000606640336 863742504 /nfs/dbraw/zinc/74/25/04/863742504.db2.gz SXOQTMWFBMYUIR-HXUWFJFHSA-N 1 3 380.621 3.652 20 0 GHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000606640336 863742510 /nfs/dbraw/zinc/74/25/10/863742510.db2.gz SXOQTMWFBMYUIR-HXUWFJFHSA-N 1 3 380.621 3.652 20 0 GHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000158698724 863919635 /nfs/dbraw/zinc/91/96/35/863919635.db2.gz YTYHGTMVIQJEGZ-CVDCTZTESA-N 1 3 395.547 3.914 20 0 GHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000158698724 863919643 /nfs/dbraw/zinc/91/96/43/863919643.db2.gz YTYHGTMVIQJEGZ-CVDCTZTESA-N 1 3 395.547 3.914 20 0 GHADHO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000734273204 864111116 /nfs/dbraw/zinc/11/11/16/864111116.db2.gz KKIVDSCKBUNEBC-NRFANRHFSA-N 1 3 386.584 3.776 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000480230111 864311419 /nfs/dbraw/zinc/31/14/19/864311419.db2.gz QZEBGQDDBOJJSN-NQHRYMMQSA-N 1 3 393.575 3.560 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000480230111 864311427 /nfs/dbraw/zinc/31/14/27/864311427.db2.gz QZEBGQDDBOJJSN-NQHRYMMQSA-N 1 3 393.575 3.560 20 0 GHADHO C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)c1cc2ccccc2s1 ZINC000475155328 864317499 /nfs/dbraw/zinc/31/74/99/864317499.db2.gz IQRLDPZAHOGXMR-APWZRJJASA-N 1 3 381.545 3.971 20 0 GHADHO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475313564 864766138 /nfs/dbraw/zinc/76/61/38/864766138.db2.gz DXRZOPIPPKCLFD-XMMPIXPASA-N 1 3 391.559 3.632 20 0 GHADHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480620387 864983803 /nfs/dbraw/zinc/98/38/03/864983803.db2.gz ZMIJLXMVBWALAU-XUZZJYLKSA-N 1 3 381.564 3.560 20 0 GHADHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480620387 864983811 /nfs/dbraw/zinc/98/38/11/864983811.db2.gz ZMIJLXMVBWALAU-XUZZJYLKSA-N 1 3 381.564 3.560 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)COC4)cc2)CC1 ZINC000480721325 865142533 /nfs/dbraw/zinc/14/25/33/865142533.db2.gz MFTSJDGHCBRJIJ-IBGZPJMESA-N 1 3 379.548 3.705 20 0 GHADHO C[C@@H]1CC2(CN1Cc1nc(-c3cccc(C(F)(F)F)c3)no1)CC[NH2+]CC2 ZINC000582235821 866134031 /nfs/dbraw/zinc/13/40/31/866134031.db2.gz PHQBOPPSUAYEEX-CYBMUJFWSA-N 1 3 380.414 3.719 20 0 GHADHO COc1ccccc1[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC000153290206 866327307 /nfs/dbraw/zinc/32/73/07/866327307.db2.gz WGKQYBJUCFJHFG-HSZRJFAPSA-N 1 3 381.564 3.595 20 0 GHADHO COc1ccccc1[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)N(C)C ZINC000153290206 866327327 /nfs/dbraw/zinc/32/73/27/866327327.db2.gz WGKQYBJUCFJHFG-HSZRJFAPSA-N 1 3 381.564 3.595 20 0 GHADHO CCSc1ccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000552894206 866448985 /nfs/dbraw/zinc/44/89/85/866448985.db2.gz KKIPWIKFQIPZOC-QGZVFWFLSA-N 1 3 385.577 3.941 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001170427960 882021569 /nfs/dbraw/zinc/02/15/69/882021569.db2.gz CRAPLILLIBCHJA-HXUWFJFHSA-N 1 3 396.531 3.781 20 0 GHADHO CC[C@@H]([NH2+]CCCN1CCCCC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000444610033 866945936 /nfs/dbraw/zinc/94/59/36/866945936.db2.gz NVRRBWTXNWXYMC-OAQYLSRUSA-N 1 3 387.568 3.605 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000535018507 867939456 /nfs/dbraw/zinc/93/94/56/867939456.db2.gz KWLWPDVIRBOTOF-XXBNENTESA-N 1 3 398.595 3.776 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000155566832 867950320 /nfs/dbraw/zinc/95/03/20/867950320.db2.gz HQYYGIQJHRSKOI-DLBZAZTESA-N 1 3 389.975 3.511 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000155672002 868020122 /nfs/dbraw/zinc/02/01/22/868020122.db2.gz HSALBOVPBPZFQD-WMLDXEAASA-N 1 3 398.414 3.602 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000156897541 868494502 /nfs/dbraw/zinc/49/45/02/868494502.db2.gz RVUAQCJZBCDNND-JTHBVZDNSA-N 1 3 395.547 3.633 20 0 GHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000156897541 868494511 /nfs/dbraw/zinc/49/45/11/868494511.db2.gz RVUAQCJZBCDNND-JTHBVZDNSA-N 1 3 395.547 3.633 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000479877987 868643951 /nfs/dbraw/zinc/64/39/51/868643951.db2.gz XUTIKIIZCXSCDM-UFYCRDLUSA-N 1 3 379.614 3.612 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000479877987 868643960 /nfs/dbraw/zinc/64/39/60/868643960.db2.gz XUTIKIIZCXSCDM-UFYCRDLUSA-N 1 3 379.614 3.612 20 0 GHADHO Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC001183045410 912214717 /nfs/dbraw/zinc/21/47/17/912214717.db2.gz JKAVMHHJDOGYEZ-JOCHJYFZSA-N 1 3 399.583 3.969 20 0 GHADHO Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC001183045410 912214729 /nfs/dbraw/zinc/21/47/29/912214729.db2.gz JKAVMHHJDOGYEZ-JOCHJYFZSA-N 1 3 399.583 3.969 20 0 GHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1c[nH]c(-c2ccccc2)n1 ZINC000539824125 869833002 /nfs/dbraw/zinc/83/30/02/869833002.db2.gz XPIBWHYAGXJVGC-UHFFFAOYSA-N 1 3 395.595 3.705 20 0 GHADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@H]21 ZINC000539900488 869990317 /nfs/dbraw/zinc/99/03/17/869990317.db2.gz VLSJMWIQDJIOSX-FUHWJXTLSA-N 1 3 378.442 3.807 20 0 GHADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@H]21 ZINC000539900488 869990322 /nfs/dbraw/zinc/99/03/22/869990322.db2.gz VLSJMWIQDJIOSX-FUHWJXTLSA-N 1 3 378.442 3.807 20 0 GHADHO C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000446569404 870017473 /nfs/dbraw/zinc/01/74/73/870017473.db2.gz NNQQKQNXGULKHG-NRFANRHFSA-N 1 3 380.536 3.577 20 0 GHADHO CC(C)NC(=O)CCN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462803113 870122984 /nfs/dbraw/zinc/12/29/84/870122984.db2.gz NDQFBWFKCCMWFK-OAQYLSRUSA-N 1 3 377.548 3.883 20 0 GHADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000461472943 870260793 /nfs/dbraw/zinc/26/07/93/870260793.db2.gz PHCZPVCQDXRZGI-QFIPXVFZSA-N 1 3 379.548 3.780 20 0 GHADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000461472943 870260811 /nfs/dbraw/zinc/26/08/11/870260811.db2.gz PHCZPVCQDXRZGI-QFIPXVFZSA-N 1 3 379.548 3.780 20 0 GHADHO CCOc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000248159275 870304264 /nfs/dbraw/zinc/30/42/64/870304264.db2.gz RWQXRTLXTRKQAZ-PGRDOPGGSA-N 1 3 395.547 3.633 20 0 GHADHO CCOc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000248159275 870304271 /nfs/dbraw/zinc/30/42/71/870304271.db2.gz RWQXRTLXTRKQAZ-PGRDOPGGSA-N 1 3 395.547 3.633 20 0 GHADHO C[C@H](NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248542105 870482133 /nfs/dbraw/zinc/48/21/33/870482133.db2.gz BWODLBUTBNUIIL-VPWXQRGCSA-N 1 3 384.486 3.851 20 0 GHADHO C[C@H](NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248542105 870482146 /nfs/dbraw/zinc/48/21/46/870482146.db2.gz BWODLBUTBNUIIL-VPWXQRGCSA-N 1 3 384.486 3.851 20 0 GHADHO C[C@@H](NC[C@H](C)C[NH2+][C@@H](C)[C@H]1COc2ccccc21)[C@@H]1COc2ccccc21 ZINC000248643344 870572355 /nfs/dbraw/zinc/57/23/55/870572355.db2.gz ZZPDGYQDRCHOGR-MBLQPOPDSA-N 1 3 380.532 3.931 20 0 GHADHO C[C@H](CN[C@@H](C)[C@H]1COc2ccccc21)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000248643344 870572364 /nfs/dbraw/zinc/57/23/64/870572364.db2.gz ZZPDGYQDRCHOGR-MBLQPOPDSA-N 1 3 380.532 3.931 20 0 GHADHO CC(C)[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299691 870940116 /nfs/dbraw/zinc/94/01/16/870940116.db2.gz QQFKNUVCXZLEBC-SJLPKXTDSA-N 1 3 385.474 3.580 20 0 GHADHO CC(C)[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299691 870940124 /nfs/dbraw/zinc/94/01/24/870940124.db2.gz QQFKNUVCXZLEBC-SJLPKXTDSA-N 1 3 385.474 3.580 20 0 GHADHO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001193649815 871214589 /nfs/dbraw/zinc/21/45/89/871214589.db2.gz XWAUSPZPQPDBJV-UGKGYDQZSA-N 1 3 386.584 3.716 20 0 GHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000539072761 871259250 /nfs/dbraw/zinc/25/92/50/871259250.db2.gz SKHPVLOOHFYESN-KRWDZBQOSA-N 1 3 389.565 3.749 20 0 GHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000539072761 871259266 /nfs/dbraw/zinc/25/92/66/871259266.db2.gz SKHPVLOOHFYESN-KRWDZBQOSA-N 1 3 389.565 3.749 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3cc(Br)ccc3C2)C[C@@H](C)O1 ZINC000539072833 871259841 /nfs/dbraw/zinc/25/98/41/871259841.db2.gz VBAPBLUJMUGQSE-QINHECLXSA-N 1 3 395.385 3.785 20 0 GHADHO CCN1CCC([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC001169239318 871337485 /nfs/dbraw/zinc/33/74/85/871337485.db2.gz ZRYQYAMRAGAIFY-UHFFFAOYSA-N 1 3 394.401 3.735 20 0 GHADHO CN(C[C@H]1CN(Cc2ccccc2)CCCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC001169507841 871572397 /nfs/dbraw/zinc/57/23/97/871572397.db2.gz SPXCLABZQLDDIF-QHCPKHFHSA-N 1 3 387.612 3.864 20 0 GHADHO C[NH+]1CCC2(CC1)C[C@H](N[C@H]1COc3cc(F)ccc3C1)c1ccccc1O2 ZINC000572542576 871689418 /nfs/dbraw/zinc/68/94/18/871689418.db2.gz FZCAETOSPFJHGO-QUCCMNQESA-N 1 3 382.479 3.707 20 0 GHADHO CN1CCC2(CC1)C[C@H]([NH2+][C@H]1COc3cc(F)ccc3C1)c1ccccc1O2 ZINC000572542576 871689433 /nfs/dbraw/zinc/68/94/33/871689433.db2.gz FZCAETOSPFJHGO-QUCCMNQESA-N 1 3 382.479 3.707 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)C1 ZINC000539307277 871703029 /nfs/dbraw/zinc/70/30/29/871703029.db2.gz RQUGAJVZDVKGBA-OSZJIOELSA-N 1 3 392.609 3.610 20 0 GHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)C1 ZINC000539307277 871703042 /nfs/dbraw/zinc/70/30/42/871703042.db2.gz RQUGAJVZDVKGBA-OSZJIOELSA-N 1 3 392.609 3.610 20 0 GHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000462188676 871753051 /nfs/dbraw/zinc/75/30/51/871753051.db2.gz LLMWVNFPNSSEQF-AUSIDOKSSA-N 1 3 379.548 3.779 20 0 GHADHO CC(C)(C[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)CN1CCCC1 ZINC000477926149 872155442 /nfs/dbraw/zinc/15/54/42/872155442.db2.gz FWWUNOFLUQFDKT-OALUTQOASA-N 1 3 397.563 3.696 20 0 GHADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2)c1ccc2c(c1)CCCC2 ZINC001196788428 873360928 /nfs/dbraw/zinc/36/09/28/873360928.db2.gz AMTVZVYBAOJUPW-UXHICEINSA-N 1 3 397.607 3.939 20 0 GHADHO OC1(c2ccccc2)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000768527394 873361581 /nfs/dbraw/zinc/36/15/81/873361581.db2.gz XEIYPXRTXGPOGT-UHFFFAOYSA-N 1 3 380.532 3.645 20 0 GHADHO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000744414021 874016801 /nfs/dbraw/zinc/01/68/01/874016801.db2.gz CQMWCJVNGOOENM-KNQAVFIVSA-N 1 3 386.584 3.668 20 0 GHADHO CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000744414021 874016818 /nfs/dbraw/zinc/01/68/18/874016818.db2.gz CQMWCJVNGOOENM-KNQAVFIVSA-N 1 3 386.584 3.668 20 0 GHADHO C[C@]1([C@@H]2CCC[N@H+](CCCN3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892506 874093494 /nfs/dbraw/zinc/09/34/94/874093494.db2.gz YFOPOWDLNRMXIV-ISKFKSNPSA-N 1 3 399.579 3.542 20 0 GHADHO C[C@]1([C@@H]2CCC[N@@H+](CCCN3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892506 874093512 /nfs/dbraw/zinc/09/35/12/874093512.db2.gz YFOPOWDLNRMXIV-ISKFKSNPSA-N 1 3 399.579 3.542 20 0 GHADHO C[C@]1([C@@H]2CCCN(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892506 874093529 /nfs/dbraw/zinc/09/35/29/874093529.db2.gz YFOPOWDLNRMXIV-ISKFKSNPSA-N 1 3 399.579 3.542 20 0 GHADHO CCC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000528317155 874367413 /nfs/dbraw/zinc/36/74/13/874367413.db2.gz SWOQDOONGAODSW-NRFANRHFSA-N 1 3 391.987 3.899 20 0 GHADHO COc1ccccc1N1CC[C@@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449191106 874566195 /nfs/dbraw/zinc/56/61/95/874566195.db2.gz PBTIPFLLJZNUFS-NZQKXSOJSA-N 1 3 393.575 3.959 20 0 GHADHO COc1ccc2c(c1)OC[C@@H](NC1CC[NH+]([C@H](C)Cc3ccccc3)CC1)C2 ZINC000449204978 874584043 /nfs/dbraw/zinc/58/40/43/874584043.db2.gz NFDCVXQNKVDFNG-GCJKJVERSA-N 1 3 380.532 3.684 20 0 GHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000464976091 874878435 /nfs/dbraw/zinc/87/84/35/874878435.db2.gz XTAXVVVNOQVLCH-ZEQRLZLVSA-N 1 3 391.559 3.632 20 0 GHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000464976091 874878440 /nfs/dbraw/zinc/87/84/40/874878440.db2.gz XTAXVVVNOQVLCH-ZEQRLZLVSA-N 1 3 391.559 3.632 20 0 GHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000464976088 874878496 /nfs/dbraw/zinc/87/84/96/874878496.db2.gz XTAXVVVNOQVLCH-BJKOFHAPSA-N 1 3 391.559 3.632 20 0 GHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000464976088 874878504 /nfs/dbraw/zinc/87/85/04/874878504.db2.gz XTAXVVVNOQVLCH-BJKOFHAPSA-N 1 3 391.559 3.632 20 0 GHADHO CC(C)(C)O[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1n1cccn1 ZINC000449657073 875191084 /nfs/dbraw/zinc/19/10/84/875191084.db2.gz NNNNODCJAJPVSK-ZLNRFVROSA-N 1 3 396.579 3.677 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)N1CCCCC1 ZINC000465200395 875312005 /nfs/dbraw/zinc/31/20/05/875312005.db2.gz PWIQVQJKNYGBJB-KNQAVFIVSA-N 1 3 387.568 3.856 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)N1CCCCC1 ZINC000465200395 875312022 /nfs/dbraw/zinc/31/20/22/875312022.db2.gz PWIQVQJKNYGBJB-KNQAVFIVSA-N 1 3 387.568 3.856 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000449966730 875716283 /nfs/dbraw/zinc/71/62/83/875716283.db2.gz RJBNODNKMUQNKM-FCHUYYIVSA-N 1 3 383.580 3.637 20 0 GHADHO Cc1cccc(Cl)c1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000450416558 876400412 /nfs/dbraw/zinc/40/04/12/876400412.db2.gz AIWLFJVCNRMVLV-UHFFFAOYSA-N 1 3 379.976 3.564 20 0 GHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000729593023 876653151 /nfs/dbraw/zinc/65/31/51/876653151.db2.gz ZHWQTQSTOHUDOC-QHCPKHFHSA-N 1 3 394.563 3.727 20 0 GHADHO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)CN1CCCCC1 ZINC000850425929 876908620 /nfs/dbraw/zinc/90/86/20/876908620.db2.gz QYOUWSXXTKVUSI-QFBILLFUSA-N 1 3 397.485 3.734 20 0 GHADHO CCOC(=O)NC1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000850471903 876949874 /nfs/dbraw/zinc/94/98/74/876949874.db2.gz UMBAFRKJZWERAE-ITAUSPCMSA-N 1 3 387.568 3.936 20 0 GHADHO C[NH+]1CCC(CN[C@@H](c2ccccc2)c2ccccn2)(N2CCCCC2)CC1 ZINC000180647014 883090207 /nfs/dbraw/zinc/09/02/07/883090207.db2.gz DCZXTJOOJKBGNT-QHCPKHFHSA-N 1 3 378.564 3.711 20 0 GHADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000642619083 912221083 /nfs/dbraw/zinc/22/10/83/912221083.db2.gz DHABKYBBPWZCQM-VXKWHMMOSA-N 1 3 382.552 3.672 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccsc1 ZINC000137770800 877610027 /nfs/dbraw/zinc/61/00/27/877610027.db2.gz JEEGEXBHPFNQEX-NKELODKYSA-N 1 3 380.602 3.551 20 0 GHADHO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000237609153 877679518 /nfs/dbraw/zinc/67/95/18/877679518.db2.gz ZGGUOTDSPIIZOX-CALCHBBNSA-N 1 3 390.959 3.813 20 0 GHADHO CC[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)[C@H]2CC)c1 ZINC000451276226 877698445 /nfs/dbraw/zinc/69/84/45/877698445.db2.gz ZWSAFZGXVWTHIF-SEIRJHJZSA-N 1 3 394.987 3.526 20 0 GHADHO CC[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](CO)[C@H]2CC)c1 ZINC000451276226 877698447 /nfs/dbraw/zinc/69/84/47/877698447.db2.gz ZWSAFZGXVWTHIF-SEIRJHJZSA-N 1 3 394.987 3.526 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551796079 877846714 /nfs/dbraw/zinc/84/67/14/877846714.db2.gz LJXAERLXWPYAPK-WOJBJXKFSA-N 1 3 383.502 3.959 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCC(=O)Nc4ccccc43)cc2)CC1 ZINC000551814496 877880615 /nfs/dbraw/zinc/88/06/15/877880615.db2.gz QSAHKWVILHKKDC-OAQYLSRUSA-N 1 3 379.504 3.723 20 0 GHADHO CCc1ccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1 ZINC000530690632 878294837 /nfs/dbraw/zinc/29/48/37/878294837.db2.gz NGOXAOGBOCNQNX-UHFFFAOYSA-N 1 3 393.575 3.709 20 0 GHADHO C[C@@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000537954751 878579878 /nfs/dbraw/zinc/57/98/78/878579878.db2.gz SXKDZPJICUKYSH-UTKZUKDTSA-N 1 3 399.510 3.612 20 0 GHADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(-c2ccncc2)cc1 ZINC000537957411 878587302 /nfs/dbraw/zinc/58/73/02/878587302.db2.gz FIIQSQDXOFDTLE-GOSISDBHSA-N 1 3 376.504 3.935 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000537975192 878610570 /nfs/dbraw/zinc/61/05/70/878610570.db2.gz FLWXCZPXIWVNAN-FYYLOGMGSA-N 1 3 385.596 3.522 20 0 GHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000667054180 878955593 /nfs/dbraw/zinc/95/55/93/878955593.db2.gz UCRRZDAAIARPNB-IFMALSPDSA-N 1 3 396.579 3.888 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000531207587 879328049 /nfs/dbraw/zinc/32/80/49/879328049.db2.gz WSRQIXBOTYHOQR-JOCHJYFZSA-N 1 3 392.547 3.560 20 0 GHADHO CC1(C)CN(C[C@@H]2CN(C3CC3)C(=O)O2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045487 879472260 /nfs/dbraw/zinc/47/22/60/879472260.db2.gz ZHIRSAQXWFAUIF-FGZHOGPDSA-N 1 3 397.563 3.592 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000247133702 879927130 /nfs/dbraw/zinc/92/71/30/879927130.db2.gz RVCBULGFAYZFHH-RBUKOAKNSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000247133702 879927141 /nfs/dbraw/zinc/92/71/41/879927141.db2.gz RVCBULGFAYZFHH-RBUKOAKNSA-N 1 3 390.535 3.745 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000247208178 879943009 /nfs/dbraw/zinc/94/30/09/879943009.db2.gz VNBQVQOAKNPCTE-XOKHGSTOSA-N 1 3 382.346 3.629 20 0 GHADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247208178 879943016 /nfs/dbraw/zinc/94/30/16/879943016.db2.gz VNBQVQOAKNPCTE-XOKHGSTOSA-N 1 3 382.346 3.629 20 0 GHADHO Fc1ccccc1-c1cnc(CN2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000182973494 880045709 /nfs/dbraw/zinc/04/57/09/880045709.db2.gz USOJSIWRFCMSAK-UHFFFAOYSA-N 1 3 387.499 3.805 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@H](C)C[NH+]1CCCC1 ZINC000531700614 880326876 /nfs/dbraw/zinc/32/68/76/880326876.db2.gz LPGPMECRPLQRKY-LSDHHAIUSA-N 1 3 387.446 3.624 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000531700614 880326883 /nfs/dbraw/zinc/32/68/83/880326883.db2.gz LPGPMECRPLQRKY-LSDHHAIUSA-N 1 3 387.446 3.624 20 0 GHADHO CNC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000453096984 880463079 /nfs/dbraw/zinc/46/30/79/880463079.db2.gz VYPXQUKAKQXCNY-ZRBLBEILSA-N 1 3 377.532 3.579 20 0 GHADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)sc1Br ZINC000531953913 880815008 /nfs/dbraw/zinc/81/50/08/880815008.db2.gz IOQYCZLGDJDDIC-ZIAGYGMSSA-N 1 3 375.376 3.798 20 0 GHADHO C[C@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000792279556 881011221 /nfs/dbraw/zinc/01/12/21/881011221.db2.gz CYZXPWRQAWSWAU-FPOVZHCZSA-N 1 3 394.563 3.581 20 0 GHADHO Fc1ccc(COc2cccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)c2)cc1 ZINC000119893698 881203681 /nfs/dbraw/zinc/20/36/81/881203681.db2.gz NFAMVLQJFXCMFV-OAQYLSRUSA-N 1 3 398.522 3.995 20 0 GHADHO CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455884270 881214488 /nfs/dbraw/zinc/21/44/88/881214488.db2.gz VPANWVDSQLPWRI-JOCHJYFZSA-N 1 3 380.536 3.831 20 0 GHADHO COCCOc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000499143350 881266638 /nfs/dbraw/zinc/26/66/38/881266638.db2.gz TYRLYFGLEMKKRR-NUNAXRQHSA-N 1 3 380.532 3.997 20 0 GHADHO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000182805207 883219858 /nfs/dbraw/zinc/21/98/58/883219858.db2.gz FBKITWLACOWHBB-CVDCTZTESA-N 1 3 396.604 3.953 20 0 GHADHO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC000182805207 883219872 /nfs/dbraw/zinc/21/98/72/883219872.db2.gz FBKITWLACOWHBB-CVDCTZTESA-N 1 3 396.604 3.953 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC000729601333 883398202 /nfs/dbraw/zinc/39/82/02/883398202.db2.gz PQCGOBTZIJZEFO-JOCHJYFZSA-N 1 3 382.552 3.501 20 0 GHADHO CC1(C)[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@H]2CCCO[C@@H]21 ZINC000551265611 883575929 /nfs/dbraw/zinc/57/59/29/883575929.db2.gz WPHNVXSYJXROGL-ODAXIHTASA-N 1 3 398.591 3.708 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000643522079 912728984 /nfs/dbraw/zinc/72/89/84/912728984.db2.gz HMPZULBKXRIZSX-AAEUAGOBSA-N 1 3 377.838 3.808 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)cs1 ZINC000194116067 883683257 /nfs/dbraw/zinc/68/32/57/883683257.db2.gz PHMJVXKSTSWADU-MAZHCROVSA-N 1 3 387.387 3.929 20 0 GHADHO Cc1cc(C)cc(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000130092350 884163297 /nfs/dbraw/zinc/16/32/97/884163297.db2.gz OGUWVSDLZQCOPS-IBGZPJMESA-N 1 3 380.536 3.874 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)N1CCCCC1 ZINC000522646358 884397856 /nfs/dbraw/zinc/39/78/56/884397856.db2.gz OOBHVTQFFAYJBB-IBGZPJMESA-N 1 3 381.948 3.729 20 0 GHADHO Cc1ccccc1CN(C)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000460350316 884934423 /nfs/dbraw/zinc/93/44/23/884934423.db2.gz KBKDCMORZGDDHI-NHCUHLMSSA-N 1 3 393.575 3.700 20 0 GHADHO c1cc2c(cccc2-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)o1 ZINC001211916381 885345789 /nfs/dbraw/zinc/34/57/89/885345789.db2.gz QKYPJMSYAKCKEE-IBGZPJMESA-N 1 3 386.455 3.672 20 0 GHADHO c1cc2c(cccc2-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)o1 ZINC001211916381 885345812 /nfs/dbraw/zinc/34/58/12/885345812.db2.gz QKYPJMSYAKCKEE-IBGZPJMESA-N 1 3 386.455 3.672 20 0 GHADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000556925781 886715149 /nfs/dbraw/zinc/71/51/49/886715149.db2.gz CCWPQGYXOHMFKH-UHFFFAOYSA-N 1 3 388.581 3.776 20 0 GHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000556925781 886715162 /nfs/dbraw/zinc/71/51/62/886715162.db2.gz CCWPQGYXOHMFKH-UHFFFAOYSA-N 1 3 388.581 3.776 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000809948790 888014468 /nfs/dbraw/zinc/01/44/68/888014468.db2.gz MYJSZNNFZUFZEK-VAMGGRTRSA-N 1 3 379.589 3.735 20 0 GHADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000809948790 888014480 /nfs/dbraw/zinc/01/44/80/888014480.db2.gz MYJSZNNFZUFZEK-VAMGGRTRSA-N 1 3 379.589 3.735 20 0 GHADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809950076 888017565 /nfs/dbraw/zinc/01/75/65/888017565.db2.gz CBAHBFGJIJXSJC-VAMGGRTRSA-N 1 3 381.605 3.981 20 0 GHADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809950076 888017579 /nfs/dbraw/zinc/01/75/79/888017579.db2.gz CBAHBFGJIJXSJC-VAMGGRTRSA-N 1 3 381.605 3.981 20 0 GHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866306727 888822830 /nfs/dbraw/zinc/82/28/30/888822830.db2.gz LYEPJYADHYCTFW-IAOVAPTHSA-N 1 3 377.916 3.900 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000122326514 889645042 /nfs/dbraw/zinc/64/50/42/889645042.db2.gz DAFPPTTXVOLZQR-PWRODBHTSA-N 1 3 387.568 3.586 20 0 GHADHO C[C@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000465538263 890191845 /nfs/dbraw/zinc/19/18/45/890191845.db2.gz GTNGVKOBERWILB-NJDAHSKKSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000465538263 890191849 /nfs/dbraw/zinc/19/18/49/890191849.db2.gz GTNGVKOBERWILB-NJDAHSKKSA-N 1 3 386.584 3.555 20 0 GHADHO C[C@H](c1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1)C(F)(F)F ZINC000455208493 890542407 /nfs/dbraw/zinc/54/24/07/890542407.db2.gz MCHIPHZESGWQLT-OAHLLOKOSA-N 1 3 397.485 3.641 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2ccccc2)CC1 ZINC000497370353 891294895 /nfs/dbraw/zinc/29/48/95/891294895.db2.gz NTYICSXKLZJSLA-DNVJHFABSA-N 1 3 398.595 3.585 20 0 GHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2ccccc2)CC1 ZINC000497370353 891294909 /nfs/dbraw/zinc/29/49/09/891294909.db2.gz NTYICSXKLZJSLA-DNVJHFABSA-N 1 3 398.595 3.585 20 0 GHADHO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000067452878 891314391 /nfs/dbraw/zinc/31/43/91/891314391.db2.gz VXEKRIJBDYWERX-RTBURBONSA-N 1 3 384.568 3.527 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000128118946 891425546 /nfs/dbraw/zinc/42/55/46/891425546.db2.gz NPYDENRILIQZLI-XZOQPEGZSA-N 1 3 379.548 3.538 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000128118946 891425554 /nfs/dbraw/zinc/42/55/54/891425554.db2.gz NPYDENRILIQZLI-XZOQPEGZSA-N 1 3 379.548 3.538 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162141518 892054971 /nfs/dbraw/zinc/05/49/71/892054971.db2.gz FJGVDKODFSILLQ-QPPBQGQZSA-N 1 3 387.612 3.686 20 0 GHADHO CC(C)C[C@H](N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497906281 892699387 /nfs/dbraw/zinc/69/93/87/892699387.db2.gz CUUROCJEPCCDBN-SFHVURJKSA-N 1 3 385.474 3.502 20 0 GHADHO CC(C)C[C@H](N)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497906281 892699401 /nfs/dbraw/zinc/69/94/01/892699401.db2.gz CUUROCJEPCCDBN-SFHVURJKSA-N 1 3 385.474 3.502 20 0 GHADHO OCCOC1(CNC2CC[NH+](C3CCCCC3)CC2)CCC(C(F)F)CC1 ZINC000897541007 892832718 /nfs/dbraw/zinc/83/27/18/892832718.db2.gz IIABRKUSYMNDHY-UHFFFAOYSA-N 1 3 388.543 3.576 20 0 GHADHO OCCOC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC(C(F)F)CC1 ZINC000897541007 892832734 /nfs/dbraw/zinc/83/27/34/892832734.db2.gz IIABRKUSYMNDHY-UHFFFAOYSA-N 1 3 388.543 3.576 20 0 GHADHO CCC(CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508721173 892971301 /nfs/dbraw/zinc/97/13/01/892971301.db2.gz UCDMQYUWGZVXFQ-ZTCOLXNVSA-N 1 3 387.612 3.624 20 0 GHADHO ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000877551556 893683824 /nfs/dbraw/zinc/68/38/24/893683824.db2.gz FUSDWSDFWJMRBK-ZWKOTPCHSA-N 1 3 383.363 3.699 20 0 GHADHO ClC1(Cl)C[C@H]1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551556 893683828 /nfs/dbraw/zinc/68/38/28/893683828.db2.gz FUSDWSDFWJMRBK-ZWKOTPCHSA-N 1 3 383.363 3.699 20 0 GHADHO ClC1(Cl)C[C@H]1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551556 893683832 /nfs/dbraw/zinc/68/38/32/893683832.db2.gz FUSDWSDFWJMRBK-ZWKOTPCHSA-N 1 3 383.363 3.699 20 0 GHADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524973 893727370 /nfs/dbraw/zinc/72/73/70/893727370.db2.gz XGTIEUGCKXDSPZ-CTNGQTDRSA-N 1 3 383.580 3.503 20 0 GHADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524973 893727381 /nfs/dbraw/zinc/72/73/81/893727381.db2.gz XGTIEUGCKXDSPZ-CTNGQTDRSA-N 1 3 383.580 3.503 20 0 GHADHO c1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000459539491 893762414 /nfs/dbraw/zinc/76/24/14/893762414.db2.gz KBNZOSFUKGXSBR-LOSJGSFVSA-N 1 3 375.560 3.871 20 0 GHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000556119520 893834105 /nfs/dbraw/zinc/83/41/05/893834105.db2.gz ZDSRISPWMYJLSP-BZUAXINKSA-N 1 3 399.398 3.855 20 0 GHADHO CC1CCN([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)c2cccs2)CC1 ZINC000563608182 893962716 /nfs/dbraw/zinc/96/27/16/893962716.db2.gz UJBHQKBXYDQNOR-HXUWFJFHSA-N 1 3 398.576 3.989 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC2)CC1 ZINC000878427488 894281039 /nfs/dbraw/zinc/28/10/39/894281039.db2.gz MCOQHEYVOGRRHG-XZOQPEGZSA-N 1 3 385.596 3.646 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c(C)cccc3OC(F)F)CC2)CC1 ZINC000565370589 895571186 /nfs/dbraw/zinc/57/11/86/895571186.db2.gz GQWZUBYHEYXPQD-UHFFFAOYSA-N 1 3 395.494 3.731 20 0 GHADHO C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)(N2CCCCC2)CC1 ZINC000565723351 895833050 /nfs/dbraw/zinc/83/30/50/895833050.db2.gz UAPYNJARZWPBOD-PWRODBHTSA-N 1 3 375.601 3.659 20 0 GHADHO O[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000817893210 895950774 /nfs/dbraw/zinc/95/07/74/895950774.db2.gz FQMBUIWVFACWBD-NLWGTHIKSA-N 1 3 393.314 3.872 20 0 GHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000817898162 895952833 /nfs/dbraw/zinc/95/28/33/895952833.db2.gz FAFJRBOSVDPHFD-BGWNEDDSSA-N 1 3 394.515 3.590 20 0 GHADHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)c1c(F)cccc1F ZINC000817918667 895960691 /nfs/dbraw/zinc/96/06/91/895960691.db2.gz MIOQSYROYXNZMC-UDKICSLYSA-N 1 3 388.458 3.622 20 0 GHADHO O=C(NCCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000820814157 897541536 /nfs/dbraw/zinc/54/15/36/897541536.db2.gz GDGUUSUKWWEEBF-NOTZXAQLSA-N 1 3 377.532 3.592 20 0 GHADHO O=C(NCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000820814157 897541547 /nfs/dbraw/zinc/54/15/47/897541547.db2.gz GDGUUSUKWWEEBF-NOTZXAQLSA-N 1 3 377.532 3.592 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000568144252 897632980 /nfs/dbraw/zinc/63/29/80/897632980.db2.gz ANNCHUKYTWZOHX-ICSRJNTNSA-N 1 3 393.531 3.970 20 0 GHADHO C[C@@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000132317163 897752349 /nfs/dbraw/zinc/75/23/49/897752349.db2.gz XNMFTDKPKWMKET-QRVBRYPASA-N 1 3 386.584 3.664 20 0 GHADHO COc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1OC ZINC000569172585 898388458 /nfs/dbraw/zinc/38/84/58/898388458.db2.gz XBVZREIFWHQVKE-QZTJIDSGSA-N 1 3 390.568 3.724 20 0 GHADHO C[C@@H]1C[C@@H](CN2CC[C@H](C[N@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476915 899049927 /nfs/dbraw/zinc/04/99/27/899049927.db2.gz CZDSRPRZOHAFMF-YZGWKJHDSA-N 1 3 379.589 3.686 20 0 GHADHO C[C@@H]1C[C@@H](CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476915 899049938 /nfs/dbraw/zinc/04/99/38/899049938.db2.gz CZDSRPRZOHAFMF-YZGWKJHDSA-N 1 3 379.589 3.686 20 0 GHADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N(CCN1CCCC1)c1ccccc1 ZINC001136887604 899675844 /nfs/dbraw/zinc/67/58/44/899675844.db2.gz WKYCOXWYLABUBI-JOCHJYFZSA-N 1 3 377.532 3.638 20 0 GHADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(CCN1CCCC1)c1ccccc1 ZINC001136887604 899675852 /nfs/dbraw/zinc/67/58/52/899675852.db2.gz WKYCOXWYLABUBI-JOCHJYFZSA-N 1 3 377.532 3.638 20 0 GHADHO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N(CCN1CCCC1)c1ccccc1 ZINC001136887605 899676357 /nfs/dbraw/zinc/67/63/57/899676357.db2.gz WKYCOXWYLABUBI-QFIPXVFZSA-N 1 3 377.532 3.638 20 0 GHADHO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N(CCN1CCCC1)c1ccccc1 ZINC001136887605 899676364 /nfs/dbraw/zinc/67/63/64/899676364.db2.gz WKYCOXWYLABUBI-QFIPXVFZSA-N 1 3 377.532 3.638 20 0 GHADHO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)CC2 ZINC000886598754 901183535 /nfs/dbraw/zinc/18/35/35/901183535.db2.gz JJIGWESRWOLPKZ-SNJCGAMXSA-N 1 3 378.564 3.964 20 0 GHADHO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)O2)[C@H]1C ZINC000886769037 901262262 /nfs/dbraw/zinc/26/22/62/901262262.db2.gz NXONZCDQWNZYOX-BISDLQSSSA-N 1 3 384.564 3.602 20 0 GHADHO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000575883002 901425137 /nfs/dbraw/zinc/42/51/37/901425137.db2.gz FSQRALIEKFJFTC-QWQGWLCTSA-N 1 3 395.591 3.810 20 0 GHADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(-c2ccncc2)c1 ZINC000090937206 901439577 /nfs/dbraw/zinc/43/95/77/901439577.db2.gz CBBFHMPFMSTWNS-SFHVURJKSA-N 1 3 376.504 3.935 20 0 GHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H](c3ccccc3)C3CC3)c2)C1 ZINC000091335389 901444397 /nfs/dbraw/zinc/44/43/97/901444397.db2.gz PUKYNQRLLQQTOC-XZOQPEGZSA-N 1 3 377.532 3.625 20 0 GHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H](c3ccccc3)C3CC3)c2)C1 ZINC000091335389 901444404 /nfs/dbraw/zinc/44/44/04/901444404.db2.gz PUKYNQRLLQQTOC-XZOQPEGZSA-N 1 3 377.532 3.625 20 0 GHADHO c1ncn(-c2ccc(C[NH2+]C[C@@H]3CCCCN(Cc4ccccc4)C3)cc2)n1 ZINC000576077683 901655492 /nfs/dbraw/zinc/65/54/92/901655492.db2.gz ZEGADULMISQQNM-QFIPXVFZSA-N 1 3 375.520 3.659 20 0 GHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@@H]1C ZINC000576265856 901889562 /nfs/dbraw/zinc/88/95/62/901889562.db2.gz CGJCOBBNEZBXQC-GOEBONIOSA-N 1 3 386.483 3.652 20 0 GHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@@H]1C ZINC000576265856 901889577 /nfs/dbraw/zinc/88/95/77/901889577.db2.gz CGJCOBBNEZBXQC-GOEBONIOSA-N 1 3 386.483 3.652 20 0 GHADHO Cc1nocc1C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000576284569 901913747 /nfs/dbraw/zinc/91/37/47/901913747.db2.gz AFFHKERXWXBMNC-UHFFFAOYSA-N 1 3 396.457 3.694 20 0 GHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000576861299 902309801 /nfs/dbraw/zinc/30/98/01/902309801.db2.gz UOJFAPLCIXLHLH-CTUHWIOQSA-N 1 3 392.499 3.754 20 0 GHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000576861302 902310249 /nfs/dbraw/zinc/31/02/49/902310249.db2.gz UOJFAPLCIXLHLH-WUMKDDEVSA-N 1 3 392.499 3.754 20 0 GHADHO Brc1ccc(-c2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000576875120 902326259 /nfs/dbraw/zinc/32/62/59/902326259.db2.gz MLPQRLUSCZLUQV-HOTGVXAUSA-N 1 3 390.325 3.926 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C(C)(C)C)CC3)CC2)CC1 ZINC000577089542 902494997 /nfs/dbraw/zinc/49/49/97/902494997.db2.gz XGOQCNOWJYRIGP-HXUWFJFHSA-N 1 3 377.617 3.858 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)c3ccc(C)cc3C)CC2)CC1 ZINC000577229406 902600779 /nfs/dbraw/zinc/60/07/79/902600779.db2.gz IVHAPUHZXVMHFW-UHFFFAOYSA-N 1 3 399.623 3.894 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646576115 914686574 /nfs/dbraw/zinc/68/65/74/914686574.db2.gz WRPMCJXRHRCKQY-ZEQRLZLVSA-N 1 3 391.559 3.819 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000577741972 903147060 /nfs/dbraw/zinc/14/70/60/903147060.db2.gz PDLFQDBHECQOLP-IRNNPGBSSA-N 1 3 397.950 3.595 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000779033443 903268932 /nfs/dbraw/zinc/26/89/32/903268932.db2.gz MFVZGWATJGFSCD-UAFMIMERSA-N 1 3 397.604 3.549 20 0 GHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2Cl)[C@H]1c1cccs1 ZINC000578127563 903543356 /nfs/dbraw/zinc/54/33/56/903543356.db2.gz DITUJXJYIODGPA-QINHECLXSA-N 1 3 394.968 3.814 20 0 GHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2Cl)[C@H]1c1cccs1 ZINC000578127563 903543370 /nfs/dbraw/zinc/54/33/70/903543370.db2.gz DITUJXJYIODGPA-QINHECLXSA-N 1 3 394.968 3.814 20 0 GHADHO C/C(=C\C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C12CC3CC(CC(C3)C1)C2 ZINC001146977022 903652524 /nfs/dbraw/zinc/65/25/24/903652524.db2.gz IKYUXYGBSZAUMW-HXXSJYRJSA-N 1 3 375.601 3.537 20 0 GHADHO C/C(=C\C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C12CC3CC(CC(C3)C1)C2 ZINC001146977022 903652528 /nfs/dbraw/zinc/65/25/28/903652528.db2.gz IKYUXYGBSZAUMW-HXXSJYRJSA-N 1 3 375.601 3.537 20 0 GHADHO COC1CCN(C(C)(C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000578410092 903816712 /nfs/dbraw/zinc/81/67/12/903816712.db2.gz NOZPOORCTVZGNR-KOUNCHBCSA-N 1 3 385.596 3.661 20 0 GHADHO C[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCC(Cc2ccccc2)CC1 ZINC001148164849 904000853 /nfs/dbraw/zinc/00/08/53/904000853.db2.gz HMTBHQGLPRZRHV-NZQKXSOJSA-N 1 3 385.596 3.662 20 0 GHADHO C[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCC(Cc2ccccc2)CC1 ZINC001148164849 904000863 /nfs/dbraw/zinc/00/08/63/904000863.db2.gz HMTBHQGLPRZRHV-NZQKXSOJSA-N 1 3 385.596 3.662 20 0 GHADHO CCN(Cc1ccc(OC(=O)c2cccs2)c(OC)c1)C1CC[NH+](C)CC1 ZINC001137256706 904720838 /nfs/dbraw/zinc/72/08/38/904720838.db2.gz RRMZFWRJIGIMCJ-UHFFFAOYSA-N 1 3 388.533 3.892 20 0 GHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631634 904854097 /nfs/dbraw/zinc/85/40/97/904854097.db2.gz LIMOJYDFJDKAAJ-AEFFLSMTSA-N 1 3 379.589 3.969 20 0 GHADHO CN1C(C)(C)CC([N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631634 904854105 /nfs/dbraw/zinc/85/41/05/904854105.db2.gz LIMOJYDFJDKAAJ-AEFFLSMTSA-N 1 3 379.589 3.969 20 0 GHADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1(C)C ZINC001171613164 904877069 /nfs/dbraw/zinc/87/70/69/904877069.db2.gz GSTIRLLJJKQIRK-BJWYYQGGSA-N 1 3 379.589 3.873 20 0 GHADHO CC1(C)C[C@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)CCN1Cc1ccccc1 ZINC001171981682 905233901 /nfs/dbraw/zinc/23/39/01/905233901.db2.gz ZWUOCPSEFRNXDO-GOSISDBHSA-N 1 3 380.458 3.978 20 0 GHADHO CC1(C)C[C@H](N2CCC(NC(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171984647 905242417 /nfs/dbraw/zinc/24/24/17/905242417.db2.gz OCUNEVDDJLPRMU-JOCHJYFZSA-N 1 3 383.580 3.810 20 0 GHADHO CC1(C)C[C@H](N2CCC(NC(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984647 905242432 /nfs/dbraw/zinc/24/24/32/905242432.db2.gz OCUNEVDDJLPRMU-JOCHJYFZSA-N 1 3 383.580 3.810 20 0 GHADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](O)c1cccc(O)c1 ZINC001172077013 905289112 /nfs/dbraw/zinc/28/91/12/905289112.db2.gz OCFXFFCMSMUPBQ-PRWKWXBKSA-N 1 3 380.532 3.989 20 0 GHADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)c1cccc(O)c1 ZINC001172077013 905289129 /nfs/dbraw/zinc/28/91/29/905289129.db2.gz OCFXFFCMSMUPBQ-PRWKWXBKSA-N 1 3 380.532 3.989 20 0 GHADHO O=C1COc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)cc2N1 ZINC001172080385 905292287 /nfs/dbraw/zinc/29/22/87/905292287.db2.gz VAGRLATZQJXXQK-MZADTFQBSA-N 1 3 391.515 3.693 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@@H]3COc3cccnc3)CC1)C2 ZINC001172118729 905377202 /nfs/dbraw/zinc/37/72/02/905377202.db2.gz YDTQMCJBPVBHKY-CZYKHXBRSA-N 1 3 399.579 3.594 20 0 GHADHO COCCC[NH+]1CCC(N2CC[C@H]3[C@@H](C2)c2ccccc2N3CC(C)C)CC1 ZINC001172255213 905451396 /nfs/dbraw/zinc/45/13/96/905451396.db2.gz JYDGPVNQTSIQAY-UPVQGACJSA-N 1 3 385.596 3.821 20 0 GHADHO c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001172561143 905622805 /nfs/dbraw/zinc/62/28/05/905622805.db2.gz OHYXFQLGUOUUAQ-ZGFBMJKBSA-N 1 3 391.559 3.941 20 0 GHADHO c1ccc([C@@H]2CC[C@@H]([N@@H+]3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001172561143 905622818 /nfs/dbraw/zinc/62/28/18/905622818.db2.gz OHYXFQLGUOUUAQ-ZGFBMJKBSA-N 1 3 391.559 3.941 20 0 GHADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001172604577 905663901 /nfs/dbraw/zinc/66/39/01/905663901.db2.gz MPYLDWAAYJYNSY-AZUAARDMSA-N 1 3 378.944 3.873 20 0 GHADHO [NH3+]C1(CC2CC2)CCN(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173415109 906444179 /nfs/dbraw/zinc/44/41/79/906444179.db2.gz OVSJTAOOXFDGJW-UHFFFAOYSA-N 1 3 375.944 3.538 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001173630276 906581189 /nfs/dbraw/zinc/58/11/89/906581189.db2.gz GOOVEMXMRYRBTH-UYAOXDASSA-N 1 3 376.516 3.749 20 0 GHADHO CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000180161012 906703938 /nfs/dbraw/zinc/70/39/38/906703938.db2.gz WJHJQFQHUFFQLB-PMVMPFDFSA-N 1 3 383.580 3.524 20 0 GHADHO C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180417038 906763710 /nfs/dbraw/zinc/76/37/10/906763710.db2.gz SNCMDJUTXQGJLW-GOSISDBHSA-N 1 3 378.520 3.878 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000365999740 921280008 /nfs/dbraw/zinc/28/00/08/921280008.db2.gz LUMOXUIGAWBODP-DENIHFKCSA-N 1 3 379.548 3.873 20 0 GHADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000365999740 921280009 /nfs/dbraw/zinc/28/00/09/921280009.db2.gz LUMOXUIGAWBODP-DENIHFKCSA-N 1 3 379.548 3.873 20 0 GHADHO COc1cc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000181415283 906996784 /nfs/dbraw/zinc/99/67/84/906996784.db2.gz BIAGODJMZHMGEO-JLSDUUJJSA-N 1 3 398.494 3.715 20 0 GHADHO CC[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648142 907786732 /nfs/dbraw/zinc/78/67/32/907786732.db2.gz VZQWLNIWBQICJT-CTNGQTDRSA-N 1 3 384.520 3.511 20 0 GHADHO CC[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648142 907786739 /nfs/dbraw/zinc/78/67/39/907786739.db2.gz VZQWLNIWBQICJT-CTNGQTDRSA-N 1 3 384.520 3.511 20 0 GHADHO C[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000631769981 907839714 /nfs/dbraw/zinc/83/97/14/907839714.db2.gz XZZHZXFOLDCURH-NJNPRVFISA-N 1 3 392.609 3.826 20 0 GHADHO Cc1oc2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2c1C ZINC000186794749 907986051 /nfs/dbraw/zinc/98/60/51/907986051.db2.gz RAVAXZVDTYUBSV-UHFFFAOYSA-N 1 3 384.524 3.730 20 0 GHADHO CCCN1CCC([NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)CC1 ZINC001177127840 908400427 /nfs/dbraw/zinc/40/04/27/908400427.db2.gz RFCFSSYRJKILHA-UHFFFAOYSA-N 1 3 376.932 3.580 20 0 GHADHO CCCC[NH+]1CCC(NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001177505988 908607383 /nfs/dbraw/zinc/60/73/83/908607383.db2.gz BAESTNXMVHCSIB-OAHLLOKOSA-N 1 3 381.483 3.686 20 0 GHADHO COc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)cc(Br)c1[O-] ZINC001177678841 908693545 /nfs/dbraw/zinc/69/35/45/908693545.db2.gz GQRODTOZGQPXRH-UHFFFAOYSA-N 1 3 385.346 3.909 20 0 GHADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001179626703 909626954 /nfs/dbraw/zinc/62/69/54/909626954.db2.gz LTRIZDUPKOBTQR-QZTJIDSGSA-N 1 3 379.589 3.876 20 0 GHADHO CCC(CC)(CNC(=O)OC(C)(C)C)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001180080843 909934490 /nfs/dbraw/zinc/93/44/90/909934490.db2.gz GXRFQLAVCDPTKX-LJQANCHMSA-N 1 3 381.605 3.981 20 0 GHADHO CCC(CC)(CNC(=O)OC(C)(C)C)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001180080843 909934502 /nfs/dbraw/zinc/93/45/02/909934502.db2.gz GXRFQLAVCDPTKX-LJQANCHMSA-N 1 3 381.605 3.981 20 0 GHADHO COCCOCc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000291070402 914955243 /nfs/dbraw/zinc/95/52/43/914955243.db2.gz AZVCRKJREHPWEE-IBGZPJMESA-N 1 3 386.536 3.641 20 0 GHADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977806 915459561 /nfs/dbraw/zinc/45/95/61/915459561.db2.gz HWJOXEKZFQDJKL-HOJAQTOUSA-N 1 3 383.536 3.664 20 0 GHADHO COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647986624 915465673 /nfs/dbraw/zinc/46/56/73/915465673.db2.gz URVFQBCYOGQLPK-JTAQYXEDSA-N 1 3 393.531 3.697 20 0 GHADHO CCOc1c(Br)cc(CNCc2ccccc2C[NH2+]C)cc1OC ZINC000650718731 917247316 /nfs/dbraw/zinc/24/73/16/917247316.db2.gz VJISXCVWPBFDCP-UHFFFAOYSA-N 1 3 393.325 3.866 20 0 GHADHO CC[C@H](C)Oc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1OC ZINC000650722742 917249879 /nfs/dbraw/zinc/24/98/79/917249879.db2.gz ALKNTWQXWQIBQF-HKJQZYRSSA-N 1 3 376.541 3.733 20 0 GHADHO CCn1cc([C@@H](C)NCc2ccccc2C[NH2+][C@H](C)c2cnn(CC)c2)cn1 ZINC000296251408 918052901 /nfs/dbraw/zinc/05/29/01/918052901.db2.gz XJXSMQVRTYOKER-QZTJIDSGSA-N 1 3 380.540 3.821 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373603 919298616 /nfs/dbraw/zinc/29/86/16/919298616.db2.gz NCYGZQFNZMHVRL-YLJYHZDGSA-N 1 3 378.438 3.851 20 0 GHADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373603 919298638 /nfs/dbraw/zinc/29/86/38/919298638.db2.gz NCYGZQFNZMHVRL-YLJYHZDGSA-N 1 3 378.438 3.851 20 0 GHADHO CN1c2ccc(CN[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc2CCC1=O ZINC000800893781 920573972 /nfs/dbraw/zinc/57/39/72/920573972.db2.gz IMCAAKZOAIJVLR-HSZRJFAPSA-N 1 3 391.559 3.986 20 0 GHADHO CN1c2ccc(CN[C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc2CCC1=O ZINC000800893781 920573986 /nfs/dbraw/zinc/57/39/86/920573986.db2.gz IMCAAKZOAIJVLR-HSZRJFAPSA-N 1 3 391.559 3.986 20 0 GHADHO COCC1(C[NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CCOCC1 ZINC000368182176 922518487 /nfs/dbraw/zinc/51/84/87/922518487.db2.gz XCEHKASIHKROLV-IBGZPJMESA-N 1 3 390.568 3.775 20 0 GHADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@@H](CCc2cccnc2)c2ccccc2)CC1 ZINC000902880569 922576715 /nfs/dbraw/zinc/57/67/15/922576715.db2.gz JVHBPTLEAWOXHP-RBZQAINGSA-N 1 3 379.548 3.723 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147296 922808342 /nfs/dbraw/zinc/80/83/42/922808342.db2.gz GVLQKHUFWOGWRK-URXFXBBRSA-N 1 3 398.522 3.650 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147296 922808355 /nfs/dbraw/zinc/80/83/55/922808355.db2.gz GVLQKHUFWOGWRK-URXFXBBRSA-N 1 3 398.522 3.650 20 0 GHADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000370725625 924275646 /nfs/dbraw/zinc/27/56/46/924275646.db2.gz UNMILUXXIPRLNR-NZQKXSOJSA-N 1 3 394.563 3.640 20 0 GHADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000370725625 924275658 /nfs/dbraw/zinc/27/56/58/924275658.db2.gz UNMILUXXIPRLNR-NZQKXSOJSA-N 1 3 394.563 3.640 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1)c1ccsc1 ZINC000827023791 924585052 /nfs/dbraw/zinc/58/50/52/924585052.db2.gz LERFONDCHOTSNN-IRXDYDNUSA-N 1 3 394.972 3.694 20 0 GHADHO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678139370 924629065 /nfs/dbraw/zinc/62/90/65/924629065.db2.gz VTQQFGAZKYZPRV-UHFFFAOYSA-N 1 3 396.535 3.893 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc(Cl)n1 ZINC000827050286 924684157 /nfs/dbraw/zinc/68/41/57/924684157.db2.gz WKPVTKMMVMHGEE-IBGZPJMESA-N 1 3 388.943 3.590 20 0 GHADHO Cc1cc([C@@H](N)CC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc(Cl)n1 ZINC000827050286 924684164 /nfs/dbraw/zinc/68/41/64/924684164.db2.gz WKPVTKMMVMHGEE-IBGZPJMESA-N 1 3 388.943 3.590 20 0 GHADHO Cc1ccc([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000678414588 924761191 /nfs/dbraw/zinc/76/11/91/924761191.db2.gz VARDUDDKQOJOTA-OAQYLSRUSA-N 1 3 380.580 3.947 20 0 GHADHO COc1cc(OC)c(C2CC[NH+](C3CCN(CC4CC4)CC3)CC2)c(OC)c1 ZINC000681655204 925868322 /nfs/dbraw/zinc/86/83/22/925868322.db2.gz XRPZQKHTSOIXFZ-UHFFFAOYSA-N 1 3 388.552 3.766 20 0 GHADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000411466680 926424286 /nfs/dbraw/zinc/42/42/86/926424286.db2.gz SQMUYHVWPOUFDE-NRFANRHFSA-N 1 3 377.960 3.760 20 0 GHADHO O=C(NC[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1)c1ccco1 ZINC000411687946 926655525 /nfs/dbraw/zinc/65/55/25/926655525.db2.gz BGIPBQKZFFHVMV-JOCHJYFZSA-N 1 3 395.547 3.908 20 0 GHADHO CC[NH+](CC)CCOCCN[C@@H]1CCCOc2ccc(Br)cc21 ZINC000544614167 929345607 /nfs/dbraw/zinc/34/56/07/929345607.db2.gz DQJGBMQLNMKAPI-QGZVFWFLSA-N 1 3 385.346 3.611 20 0 GHADHO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000753534852 929394731 /nfs/dbraw/zinc/39/47/31/929394731.db2.gz GDAUUELMIDRGMA-PXNSSMCTSA-N 1 3 399.539 3.843 20 0 GHADHO CN1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000758735494 930152991 /nfs/dbraw/zinc/15/29/91/930152991.db2.gz AUVUXTIXUAYASK-GOTSBHOMSA-N 1 3 398.595 3.776 20 0 GHADHO COC(=O)[C@](C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000470133700 930397209 /nfs/dbraw/zinc/39/72/09/930397209.db2.gz NMQWXONFMCBNAO-HBAHCVPVSA-N 1 3 392.543 3.618 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000470133700 930397218 /nfs/dbraw/zinc/39/72/18/930397218.db2.gz NMQWXONFMCBNAO-HBAHCVPVSA-N 1 3 392.543 3.618 20 0 GHADHO COC(=O)[C@](C)(CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000470133700 930397225 /nfs/dbraw/zinc/39/72/25/930397225.db2.gz NMQWXONFMCBNAO-HBAHCVPVSA-N 1 3 392.543 3.618 20 0 GHADHO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000781421822 930837173 /nfs/dbraw/zinc/83/71/73/930837173.db2.gz LQKFYWRFXVSZTR-YPAWHYETSA-N 1 3 399.579 3.744 20 0 GHADHO CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000781424751 930840008 /nfs/dbraw/zinc/84/00/08/930840008.db2.gz YOXUEYPDJAPBEI-AKIFATBCSA-N 1 3 399.579 3.886 20 0 GHADHO CC1(C)CCc2cc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2O1 ZINC000781641850 930922084 /nfs/dbraw/zinc/92/20/84/930922084.db2.gz UYSXWSDTSDUBOE-QFIPXVFZSA-N 1 3 380.532 3.647 20 0 GHADHO CC1(C)CCc2cc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2O1 ZINC000781641850 930922095 /nfs/dbraw/zinc/92/20/95/930922095.db2.gz UYSXWSDTSDUBOE-QFIPXVFZSA-N 1 3 380.532 3.647 20 0 GHADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000557262756 931308565 /nfs/dbraw/zinc/30/85/65/931308565.db2.gz WENJRHQKOAUCCI-UWJYYQICSA-N 1 3 385.939 3.713 20 0 GHADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000557262756 931308572 /nfs/dbraw/zinc/30/85/72/931308572.db2.gz WENJRHQKOAUCCI-UWJYYQICSA-N 1 3 385.939 3.713 20 0 GHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000925557861 931822540 /nfs/dbraw/zinc/82/25/40/931822540.db2.gz QBPGSJMMLDEIDY-HRSYOHRGSA-N 1 3 397.607 3.540 20 0 GHADHO Cc1cc(C)cc(OC[C@@H](O)CNC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000558732022 932198870 /nfs/dbraw/zinc/19/88/70/932198870.db2.gz NFRXDRCWSGLMGE-QHCPKHFHSA-N 1 3 382.548 3.606 20 0 GHADHO C[C@H](NC1CCC(C)([NH+]2CCC2)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000927036297 932385501 /nfs/dbraw/zinc/38/55/01/932385501.db2.gz HCDBSWPOIAHCOJ-YPHUNTSASA-N 1 3 388.556 3.908 20 0 GHADHO C[NH+]1CCC2(CCCN(Cc3nc4ccc(Br)cc4[nH]3)C2)CC1 ZINC000799178910 932900766 /nfs/dbraw/zinc/90/07/66/932900766.db2.gz QRDCSAGZAQVSSL-UHFFFAOYSA-N 1 3 377.330 3.633 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)c2)CC1 ZINC001116373363 933516397 /nfs/dbraw/zinc/51/63/97/933516397.db2.gz CGKBWJHNDTWRIG-NOZRDPDXSA-N 1 3 393.575 3.692 20 0 GHADHO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3CN(C)C)cc2)CC1 ZINC000561113608 933879187 /nfs/dbraw/zinc/87/91/87/933879187.db2.gz OTHSUMQFRPHSMF-UHFFFAOYSA-N 1 3 380.536 3.531 20 0 GHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000777935390 934224167 /nfs/dbraw/zinc/22/41/67/934224167.db2.gz MHIUCXRSSYUUMV-FQEVSTJZSA-N 1 3 391.987 3.743 20 0 GHADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1)CN(C)C ZINC000830401940 935940530 /nfs/dbraw/zinc/94/05/30/935940530.db2.gz DNIQVESTMRDJMA-YZGWKJHDSA-N 1 3 375.557 3.915 20 0 GHADHO COc1ccc(Cn2nc(C)c(CN3CCC(C[NH+]4CCCC4)CC3)c2C)cc1 ZINC000468406327 1015674535 /nfs/dbraw/zinc/67/45/35/1015674535.db2.gz AYUAOGWHYRXGRF-UHFFFAOYSA-N 1 3 396.579 3.865 20 0 GHADHO N[C@H](CC(=O)N1CCC([NH3+])(CC2CCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001220972893 1032216318 /nfs/dbraw/zinc/21/63/18/1032216318.db2.gz MZEGYIHUUKDOTE-QGZVFWFLSA-N 1 3 383.458 3.605 20 0 GHADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001221071150 1032267145 /nfs/dbraw/zinc/26/71/45/1032267145.db2.gz KHPIGPDYFDWFIQ-OALUTQOASA-N 1 3 392.613 3.645 20 0 GHADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001221071150 1032267147 /nfs/dbraw/zinc/26/71/47/1032267147.db2.gz KHPIGPDYFDWFIQ-OALUTQOASA-N 1 3 392.613 3.645 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001221461929 1032425336 /nfs/dbraw/zinc/42/53/36/1032425336.db2.gz CSTZHAIMZYJHFE-PMACEKPBSA-N 1 3 392.632 3.650 20 0 GHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001221794397 1032537275 /nfs/dbraw/zinc/53/72/75/1032537275.db2.gz LNJDIUHWTZOKAJ-BAGYTPMASA-N 1 3 386.584 3.603 20 0 GHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001221794397 1032537282 /nfs/dbraw/zinc/53/72/82/1032537282.db2.gz LNJDIUHWTZOKAJ-BAGYTPMASA-N 1 3 386.584 3.603 20 0 GHADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OCc1ccccc1 ZINC000925850932 1017161292 /nfs/dbraw/zinc/16/12/92/1017161292.db2.gz ADOKHYFJCGFIEU-QUCCMNQESA-N 1 3 394.515 3.602 20 0 GHADHO C[NH+]1CCC2(CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)CC2)CC1 ZINC001228030968 1032744994 /nfs/dbraw/zinc/74/49/94/1032744994.db2.gz CWFOOLRSOIVEIN-QFIPXVFZSA-N 1 3 398.595 3.731 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(-c4ncco4)cc3C)CC2)CC1 ZINC000566748937 1019253799 /nfs/dbraw/zinc/25/37/99/1019253799.db2.gz QOUXNZGNQXPALV-UHFFFAOYSA-N 1 3 396.535 3.785 20 0 GHADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000567684611 1019331081 /nfs/dbraw/zinc/33/10/81/1019331081.db2.gz MSSBOIFXFVXOSW-DNVJHFABSA-N 1 3 382.548 3.616 20 0 GHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000567684611 1019331097 /nfs/dbraw/zinc/33/10/97/1019331097.db2.gz MSSBOIFXFVXOSW-DNVJHFABSA-N 1 3 382.548 3.616 20 0 GHADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000571825500 1019715503 /nfs/dbraw/zinc/71/55/03/1019715503.db2.gz RPOSXROKBSBMOG-JMJGKCIBSA-N 1 3 398.591 3.708 20 0 GHADHO CCOc1cccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156919399 1019773407 /nfs/dbraw/zinc/77/34/07/1019773407.db2.gz UEEMDXRCBWPXBK-GCJKJVERSA-N 1 3 395.547 3.633 20 0 GHADHO CCOc1cccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156919399 1019773425 /nfs/dbraw/zinc/77/34/25/1019773425.db2.gz UEEMDXRCBWPXBK-GCJKJVERSA-N 1 3 395.547 3.633 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](c2ccccc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000579275433 1020400086 /nfs/dbraw/zinc/40/00/86/1020400086.db2.gz XINXAMQXIATQDR-IEZKXTBUSA-N 1 3 393.575 3.703 20 0 GHADHO C[C@@H]1C[C@@H](NC[C@H](c2ccccc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000579275433 1020400092 /nfs/dbraw/zinc/40/00/92/1020400092.db2.gz XINXAMQXIATQDR-IEZKXTBUSA-N 1 3 393.575 3.703 20 0 GHADHO Cc1ccc(OC[C@@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c1 ZINC000579344928 1020407271 /nfs/dbraw/zinc/40/72/71/1020407271.db2.gz NCQUTECANOUMTG-OFNKIYASSA-N 1 3 382.548 3.858 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000834502504 1021229322 /nfs/dbraw/zinc/22/93/22/1021229322.db2.gz QKULITDUXOQOJF-OLKYXYMISA-N 1 3 380.532 3.761 20 0 GHADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000834502504 1021229330 /nfs/dbraw/zinc/22/93/30/1021229330.db2.gz QKULITDUXOQOJF-OLKYXYMISA-N 1 3 380.532 3.761 20 0 GHADHO Cc1nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(N2CCCC2)n1 ZINC001156313827 1032974838 /nfs/dbraw/zinc/97/48/38/1032974838.db2.gz CUNHQSYVRUCUTL-PCCBWWKXSA-N 1 3 377.536 3.708 20 0 GHADHO Cc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(N2CCCC2)n1 ZINC001156313827 1032974848 /nfs/dbraw/zinc/97/48/48/1032974848.db2.gz CUNHQSYVRUCUTL-PCCBWWKXSA-N 1 3 377.536 3.708 20 0 GHADHO CC(C)[NH+]1CCC(CN(C)Cc2cnc3ccc(Br)cn23)CC1 ZINC001140373165 1021514293 /nfs/dbraw/zinc/51/42/93/1021514293.db2.gz YSLGCKLWTLTQDR-UHFFFAOYSA-N 1 3 379.346 3.649 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000834892348 1021633359 /nfs/dbraw/zinc/63/33/59/1021633359.db2.gz LWXPGVUGEDVVIM-XCDJFROHSA-N 1 3 387.568 3.726 20 0 GHADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834892348 1021633368 /nfs/dbraw/zinc/63/33/68/1021633368.db2.gz LWXPGVUGEDVVIM-XCDJFROHSA-N 1 3 387.568 3.726 20 0 GHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000678285342 1021916534 /nfs/dbraw/zinc/91/65/34/1021916534.db2.gz WZVLPZPJIOXUFX-HXUWFJFHSA-N 1 3 396.535 3.766 20 0 GHADHO Cc1cc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)ccc1O ZINC001140577961 1021997810 /nfs/dbraw/zinc/99/78/10/1021997810.db2.gz SVFGKIQADJEDAF-QFIPXVFZSA-N 1 3 380.532 3.956 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4nccnc4C)CC3)CC2)c1 ZINC001140935947 1022919690 /nfs/dbraw/zinc/91/96/90/1022919690.db2.gz ATAMRCDFHGZMBQ-UHFFFAOYSA-N 1 3 380.536 3.672 20 0 GHADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccc5c(c4)OCCO5)CC[C@H]3C2)cc1 ZINC001141042492 1023367044 /nfs/dbraw/zinc/36/70/44/1023367044.db2.gz SWMJQKHTTLYZBO-FCHUYYIVSA-N 1 3 378.516 3.802 20 0 GHADHO c1ccc(C[N@H+]2CC[C@@H]3CN(Cc4ccc5c(c4)OCCO5)CC[C@H]3C2)cc1 ZINC001141042492 1023367052 /nfs/dbraw/zinc/36/70/52/1023367052.db2.gz SWMJQKHTTLYZBO-FCHUYYIVSA-N 1 3 378.516 3.802 20 0 GHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccccc2N(C)CC)CC1 ZINC000756119106 1023528148 /nfs/dbraw/zinc/52/81/48/1023528148.db2.gz JUWSIIGUIKNMPI-UHFFFAOYSA-N 1 3 380.580 3.965 20 0 GHADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cnc(C)nc4)CC3)CC2)c1 ZINC001203107797 1024325193 /nfs/dbraw/zinc/32/51/93/1024325193.db2.gz ASSBTWNOCSCTJY-UHFFFAOYSA-N 1 3 380.536 3.672 20 0 GHADHO COc1cc2cccnc2c(N(c2cc(N(C)C)ccn2)[C@@H](C)CCC[NH3+])c1 ZINC001156750040 1033220947 /nfs/dbraw/zinc/22/09/47/1033220947.db2.gz JPZISUDDMBZOJQ-INIZCTEOSA-N 1 3 379.508 3.970 20 0 GHADHO COc1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)ccc1OC(F)F ZINC001138551313 1025004761 /nfs/dbraw/zinc/00/47/61/1025004761.db2.gz DIDCMFLJHVQXOO-UHFFFAOYSA-N 1 3 398.494 3.621 20 0 GHADHO CNc1ncccc1CN1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001138691052 1025217969 /nfs/dbraw/zinc/21/79/69/1025217969.db2.gz BZMLJWKSQZDZBS-UHFFFAOYSA-N 1 3 380.536 3.620 20 0 GHADHO CNc1ncccc1CN1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001138691052 1025217981 /nfs/dbraw/zinc/21/79/81/1025217981.db2.gz BZMLJWKSQZDZBS-UHFFFAOYSA-N 1 3 380.536 3.620 20 0 GHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738811 1025275823 /nfs/dbraw/zinc/27/58/23/1025275823.db2.gz DCRRPIVLBUKWGP-KSEOMHKRSA-N 1 3 375.520 3.690 20 0 GHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738811 1025275838 /nfs/dbraw/zinc/27/58/38/1025275838.db2.gz DCRRPIVLBUKWGP-KSEOMHKRSA-N 1 3 375.520 3.690 20 0 GHADHO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN2CCC(C(C)C)CC2)c1C ZINC001141575205 1025638609 /nfs/dbraw/zinc/63/86/09/1025638609.db2.gz ULMCISOVJMUYNX-UHFFFAOYSA-N 1 3 376.589 3.571 20 0 GHADHO CCn1ccc2c1cccc2CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001139154207 1025974144 /nfs/dbraw/zinc/97/41/44/1025974144.db2.gz NQSLIURTDJFZFR-ZJSXRUAMSA-N 1 3 381.564 3.842 20 0 GHADHO CCn1ccc2c1cccc2CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001139154207 1025974147 /nfs/dbraw/zinc/97/41/47/1025974147.db2.gz NQSLIURTDJFZFR-ZJSXRUAMSA-N 1 3 381.564 3.842 20 0 GHADHO COc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC001461062320 1069369257 /nfs/dbraw/zinc/36/92/57/1069369257.db2.gz PVMFSFKBWBRNOG-UHFFFAOYSA-N 1 3 381.564 3.691 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)s1 ZINC001139296920 1026150875 /nfs/dbraw/zinc/15/08/75/1026150875.db2.gz QJJJINOLHRPSGN-ROUUACIJSA-N 1 3 377.598 3.548 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)s1 ZINC001139296920 1026150882 /nfs/dbraw/zinc/15/08/82/1026150882.db2.gz QJJJINOLHRPSGN-ROUUACIJSA-N 1 3 377.598 3.548 20 0 GHADHO Nc1c(Cl)cccc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC001461062962 1069371028 /nfs/dbraw/zinc/37/10/28/1069371028.db2.gz WAZLQRRUQBNIEQ-UHFFFAOYSA-N 1 3 386.971 3.610 20 0 GHADHO C[NH+](C)[C@@H]1CCCN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139513223 1026368760 /nfs/dbraw/zinc/36/87/60/1026368760.db2.gz PBEJLJPGNSFIRW-XMMPIXPASA-N 1 3 392.591 3.535 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)N2CCc3ccccc32)CC1 ZINC001461134045 1069407907 /nfs/dbraw/zinc/40/79/07/1069407907.db2.gz XSMLLYBLBPWNQL-OAQYLSRUSA-N 1 3 392.591 3.759 20 0 GHADHO Clc1ccc(OC2CCN(Cc3cccc(CN4CC[NH2+]CC4)c3)CC2)cc1 ZINC001209894438 1027264981 /nfs/dbraw/zinc/26/49/81/1027264981.db2.gz DBVUCMKNACYLSQ-UHFFFAOYSA-N 1 3 399.966 3.789 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(C)OCCc3ccccc32)CC1 ZINC001203486067 1027376314 /nfs/dbraw/zinc/37/63/14/1027376314.db2.gz UUZJLMMBSOXFGD-VWLOTQADSA-N 1 3 393.575 3.796 20 0 GHADHO CCN(CC)[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccsc1 ZINC001211237198 1027851758 /nfs/dbraw/zinc/85/17/58/1027851758.db2.gz RRAPUTYYSZNCIO-QWFCFKBJSA-N 1 3 394.629 3.798 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC001211236252 1027852388 /nfs/dbraw/zinc/85/23/88/1027852388.db2.gz DUDPRIHBQQFGDB-FQEVSTJZSA-N 1 3 392.613 3.791 20 0 GHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)c1ccco1 ZINC001211244968 1027855278 /nfs/dbraw/zinc/85/52/78/1027855278.db2.gz NJXLEZCQHWAIRY-UFYCRDLUSA-N 1 3 392.588 3.765 20 0 GHADHO CC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001211270047 1027875655 /nfs/dbraw/zinc/87/56/55/1027875655.db2.gz SYLJPNUHCKFVLO-YADHBBJMSA-N 1 3 398.595 3.530 20 0 GHADHO CC[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001211270047 1027875674 /nfs/dbraw/zinc/87/56/74/1027875674.db2.gz SYLJPNUHCKFVLO-YADHBBJMSA-N 1 3 398.595 3.530 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC001461525458 1069591286 /nfs/dbraw/zinc/59/12/86/1069591286.db2.gz XJAVMFJYGAVBST-JTHBVZDNSA-N 1 3 375.601 3.597 20 0 GHADHO CN(C)Cc1ccc(-c2noc(-c3ccc(OC4CC[NH2+]CC4)cc3)n2)cc1 ZINC001216698952 1029733863 /nfs/dbraw/zinc/73/38/63/1029733863.db2.gz LZDCVHVRBQLEFY-UHFFFAOYSA-N 1 3 378.476 3.596 20 0 GHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3nonc31)CC2 ZINC001203130104 1029814884 /nfs/dbraw/zinc/81/48/84/1029814884.db2.gz NKUZYCORCLXEGS-KRWDZBQOSA-N 1 3 398.532 3.540 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843124415 1029816901 /nfs/dbraw/zinc/81/69/01/1029816901.db2.gz APGDBVBTPXBMAC-ROUUACIJSA-N 1 3 390.934 3.854 20 0 GHADHO c1sc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c2c1OCCO2 ZINC001143195275 1029901346 /nfs/dbraw/zinc/90/13/46/1029901346.db2.gz XXKDRKAKUINQHY-OALUTQOASA-N 1 3 384.545 3.863 20 0 GHADHO c1sc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c2c1OCCO2 ZINC001143195275 1029901352 /nfs/dbraw/zinc/90/13/52/1029901352.db2.gz XXKDRKAKUINQHY-OALUTQOASA-N 1 3 384.545 3.863 20 0 GHADHO FC(F)(F)Oc1cccc(Br)c1CN1CCC2(C[NH2+]C2)CC1 ZINC001222208525 1030004919 /nfs/dbraw/zinc/00/49/19/1030004919.db2.gz PHKGLRFMKDZIPF-UHFFFAOYSA-N 1 3 379.220 3.533 20 0 GHADHO CCOc1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC001461605688 1069636930 /nfs/dbraw/zinc/63/69/30/1069636930.db2.gz KVBAHOSFQVGXCZ-IRXDYDNUSA-N 1 3 397.357 3.963 20 0 GHADHO CCOc1cc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC001461605688 1069636934 /nfs/dbraw/zinc/63/69/34/1069636934.db2.gz KVBAHOSFQVGXCZ-IRXDYDNUSA-N 1 3 397.357 3.963 20 0 GHADHO CC(C)C[C@@](C)([NH3+])C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001218846228 1031110892 /nfs/dbraw/zinc/11/08/92/1031110892.db2.gz ZEUHOODOIGBXQR-XMMPIXPASA-N 1 3 394.563 3.711 20 0 GHADHO O=C(Nc1cccc2c1CNC2)C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001218993705 1031200611 /nfs/dbraw/zinc/20/06/11/1031200611.db2.gz SRJUYFKFAIKJHC-UHFFFAOYSA-N 1 3 389.421 3.569 20 0 GHADHO O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001219669020 1031549719 /nfs/dbraw/zinc/54/97/19/1031549719.db2.gz IWQFCSCZSLIVEW-XMMPIXPASA-N 1 3 391.559 3.796 20 0 GHADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001219706150 1031567032 /nfs/dbraw/zinc/56/70/32/1031567032.db2.gz XVFWOWUGACOUAC-NRFANRHFSA-N 1 3 397.950 3.514 20 0 GHADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](N)CCCc1ccccc1)CC21CC[NH2+]CC1 ZINC001219754237 1031594230 /nfs/dbraw/zinc/59/42/30/1031594230.db2.gz OYQWHQCJPWQZDO-GOTSBHOMSA-N 1 3 391.559 3.527 20 0 GHADHO CCCN(C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H]1CCN(C)C1 ZINC001220472759 1031954848 /nfs/dbraw/zinc/95/48/48/1031954848.db2.gz JZKXUVMBPJDXME-JOCHJYFZSA-N 1 3 386.584 3.544 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC001205554150 1033466861 /nfs/dbraw/zinc/46/68/61/1033466861.db2.gz AKSNLTJUAPPELB-NXMQOFKUSA-N 1 3 377.573 3.819 20 0 GHADHO CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC[C@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC001205554150 1033466863 /nfs/dbraw/zinc/46/68/63/1033466863.db2.gz AKSNLTJUAPPELB-NXMQOFKUSA-N 1 3 377.573 3.819 20 0 GHADHO C[C@]1(F)CCCN(Cc2cc(Br)ccc2N2CC[NH2+]CC2)CC1 ZINC001205852150 1033608104 /nfs/dbraw/zinc/60/81/04/1033608104.db2.gz FUVOGNSRMLAWLK-SFHVURJKSA-N 1 3 384.337 3.573 20 0 GHADHO N[C@@H](CC(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1)c1cccc(C(F)(F)F)c1 ZINC001158031159 1033873260 /nfs/dbraw/zinc/87/32/60/1033873260.db2.gz HPTNDXQMZJWLMO-ICSRJNTNSA-N 1 3 397.485 3.868 20 0 GHADHO CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001207245029 1034209210 /nfs/dbraw/zinc/20/92/10/1034209210.db2.gz PTIYWJNTJOHVCT-QGZVFWFLSA-N 1 3 383.552 3.532 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249194 1034214410 /nfs/dbraw/zinc/21/44/10/1034214410.db2.gz VIKWDTFJLCOEMM-HSALFYBXSA-N 1 3 379.589 3.972 20 0 GHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249194 1034214415 /nfs/dbraw/zinc/21/44/15/1034214415.db2.gz VIKWDTFJLCOEMM-HSALFYBXSA-N 1 3 379.589 3.972 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268413 1034224429 /nfs/dbraw/zinc/22/44/29/1034224429.db2.gz LTWRIRRTYJLLLD-HTAFUYNTSA-N 1 3 377.573 3.773 20 0 GHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268413 1034224434 /nfs/dbraw/zinc/22/44/34/1034224434.db2.gz LTWRIRRTYJLLLD-HTAFUYNTSA-N 1 3 377.573 3.773 20 0 GHADHO CN(C)C(=O)C1CCN(C2CC[NH+](CCCc3cccc(Cl)c3)CC2)CC1 ZINC001207589481 1034469508 /nfs/dbraw/zinc/46/95/08/1034469508.db2.gz MWOYFQLALWVCKX-UHFFFAOYSA-N 1 3 391.987 3.537 20 0 GHADHO CN(CCC1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207772179 1034568926 /nfs/dbraw/zinc/56/89/26/1034568926.db2.gz DJGYVEQGZWOTCH-UHFFFAOYSA-N 1 3 379.589 3.972 20 0 GHADHO C[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C1CCN(C2CCCCC2)CC1 ZINC001207772179 1034568934 /nfs/dbraw/zinc/56/89/34/1034568934.db2.gz DJGYVEQGZWOTCH-UHFFFAOYSA-N 1 3 379.589 3.972 20 0 GHADHO C[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C1CCN(C2CCCCC2)CC1 ZINC001207772179 1034568942 /nfs/dbraw/zinc/56/89/42/1034568942.db2.gz DJGYVEQGZWOTCH-UHFFFAOYSA-N 1 3 379.589 3.972 20 0 GHADHO CCCN(CCC[NH+](C)C)C[C@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001207827928 1034604665 /nfs/dbraw/zinc/60/46/65/1034604665.db2.gz PTDIAIROJDDXAF-IRXDYDNUSA-N 1 3 391.547 3.788 20 0 GHADHO CSCc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001159467704 1034609510 /nfs/dbraw/zinc/60/95/10/1034609510.db2.gz RIPSNUKSWZKKJF-UHFFFAOYSA-N 1 3 380.561 3.854 20 0 GHADHO Cc1cc2cccnc2c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159467831 1034609980 /nfs/dbraw/zinc/60/99/80/1034609980.db2.gz SLCPWKHOGOVKJM-UHFFFAOYSA-N 1 3 385.515 3.848 20 0 GHADHO COCCCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231505963 1034649473 /nfs/dbraw/zinc/64/94/73/1034649473.db2.gz WMVQNGZRGKXFPM-ZRZAMGCNSA-N 1 3 380.532 3.666 20 0 GHADHO COCCCOc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231505963 1034649483 /nfs/dbraw/zinc/64/94/83/1034649483.db2.gz WMVQNGZRGKXFPM-ZRZAMGCNSA-N 1 3 380.532 3.666 20 0 GHADHO CC1=C[C@@H](C)[C@H](C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CC1 ZINC001208175963 1034775179 /nfs/dbraw/zinc/77/51/79/1034775179.db2.gz OOBNPWWRWJCTGE-GGAORHGYSA-N 1 3 383.580 3.988 20 0 GHADHO Cc1c[nH+]ccc1N1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208235688 1034825259 /nfs/dbraw/zinc/82/52/59/1034825259.db2.gz QXVYZNSMWWOKBA-IBGZPJMESA-N 1 3 388.556 3.549 20 0 GHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)CCO1 ZINC001208818394 1035038066 /nfs/dbraw/zinc/03/80/66/1035038066.db2.gz RPQIOHKVRSJXPH-GOSISDBHSA-N 1 3 388.552 3.575 20 0 GHADHO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cc(F)cc(CN(C)C)c4)C[C@H]3C2)cc1 ZINC001232149197 1035128043 /nfs/dbraw/zinc/12/80/43/1035128043.db2.gz WLFJSUXYHKXZBO-ZRZAMGCNSA-N 1 3 381.539 3.760 20 0 GHADHO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cc(F)cc(CN(C)C)c4)C[C@H]3C2)cc1 ZINC001232149197 1035128050 /nfs/dbraw/zinc/12/80/50/1035128050.db2.gz WLFJSUXYHKXZBO-ZRZAMGCNSA-N 1 3 381.539 3.760 20 0 GHADHO Cc1cccc(C[C@]2(C(=O)N(C3CCCC3)C3CCN(C)CC3)CCC[NH2+]2)c1 ZINC001161454610 1035234337 /nfs/dbraw/zinc/23/43/37/1035234337.db2.gz YZIJNOLRNPBBGS-DEOSSOPVSA-N 1 3 383.580 3.525 20 0 GHADHO CCOC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001461988801 1069930889 /nfs/dbraw/zinc/93/08/89/1069930889.db2.gz LBQWDLKJRFHJAV-LEHRLTEOSA-N 1 3 384.564 3.999 20 0 GHADHO CC(C)(C)C(=O)Nc1ccc(C[NH3+])nc1C1=CCN(Cc2ccccc2)CC1 ZINC001241502231 1035596143 /nfs/dbraw/zinc/59/61/43/1035596143.db2.gz QJRWPZIIHXETEL-UHFFFAOYSA-N 1 3 378.520 3.814 20 0 GHADHO CN1CCN(c2cccc(-c3ccc4ncn([C@@H]5CCC[NH2+]CC5)c4c3)c2)CC1 ZINC001243667782 1036243996 /nfs/dbraw/zinc/24/39/96/1036243996.db2.gz CIOIMIWMFNDUGN-OAQYLSRUSA-N 1 3 389.547 3.770 20 0 GHADHO c1cc(C2=CC[C@@H](N3CCOCC3)CC2)cc2nc([C@H]3[NH2+][C@@H]4CC[C@H]3C4)[nH]c12 ZINC001245427506 1036919972 /nfs/dbraw/zinc/91/99/72/1036919972.db2.gz QHLZIUDPMPWLCG-JYLXEMOASA-N 1 3 378.520 3.644 20 0 GHADHO c1cc(C2=CC[C@@H](N3CCOCC3)CC2)cc2[nH]c([C@H]3[NH2+][C@@H]4CC[C@H]3C4)nc12 ZINC001245427506 1036919974 /nfs/dbraw/zinc/91/99/74/1036919974.db2.gz QHLZIUDPMPWLCG-JYLXEMOASA-N 1 3 378.520 3.644 20 0 GHADHO O[C@H](C[NH2+][C@@H]1CCCNC1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245981083 1037105054 /nfs/dbraw/zinc/10/50/54/1037105054.db2.gz FNFCBZOKVLAYQT-VQIMIIECSA-N 1 3 377.315 3.940 20 0 GHADHO O[C@H](CNC1(CC2CC2)CC[NH2+]CC1)COc1cccc2[nH]c3ccccc3c21 ZINC001245994675 1037115124 /nfs/dbraw/zinc/11/51/24/1037115124.db2.gz DAWZQZQWHLWSEW-GOSISDBHSA-N 1 3 393.531 3.573 20 0 GHADHO O[C@H](C[NH2+]C1(CC2CC2)CCNCC1)COc1cccc2[nH]c3ccccc3c21 ZINC001245994675 1037115135 /nfs/dbraw/zinc/11/51/35/1037115135.db2.gz DAWZQZQWHLWSEW-GOSISDBHSA-N 1 3 393.531 3.573 20 0 GHADHO Brc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN[C@@H](Cc3ccccc3)C1)C2 ZINC001246162463 1037217958 /nfs/dbraw/zinc/21/79/58/1037217958.db2.gz DOHIJXLRQUWUFR-QHAWAJNXSA-N 1 3 385.349 3.869 20 0 GHADHO CC[C@H]1CC(NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)C[C@H](CC)[NH2+]1 ZINC001246281334 1037272821 /nfs/dbraw/zinc/27/28/21/1037272821.db2.gz OAQNTGLTHADDBO-DKKFBQAASA-N 1 3 398.588 3.527 20 0 GHADHO COc1ccc(CC[C@H](C)[NH2+]C2(Cc3cccc(OC)c3)CCNCC2)cc1 ZINC001246377810 1037334601 /nfs/dbraw/zinc/33/46/01/1037334601.db2.gz MEGLJRCRJTVUBS-IBGZPJMESA-N 1 3 382.548 3.979 20 0 GHADHO CC[C@H](Cc1ccc2c(c1)OCO2)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246379356 1037336260 /nfs/dbraw/zinc/33/62/60/1037336260.db2.gz CSAMSISHTRNZBU-LJQANCHMSA-N 1 3 382.504 3.614 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)CC1 ZINC001246379755 1037339202 /nfs/dbraw/zinc/33/92/02/1037339202.db2.gz CDJBCOMZWLIEAE-AEFFLSMTSA-N 1 3 378.944 3.716 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2C[C@H](CN)CC[C@@H]2C)CC1 ZINC001246595523 1037497147 /nfs/dbraw/zinc/49/71/47/1037497147.db2.gz ZYMIPFOBPBPWKZ-UVMVFJKDSA-N 1 3 378.944 3.753 20 0 GHADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H](CN)CC[C@@H]2C)CC1 ZINC001246595523 1037497156 /nfs/dbraw/zinc/49/71/56/1037497156.db2.gz ZYMIPFOBPBPWKZ-UVMVFJKDSA-N 1 3 378.944 3.753 20 0 GHADHO Clc1ccc(N2CCC([N@@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)CC2)cc1 ZINC001246623202 1037512668 /nfs/dbraw/zinc/51/26/68/1037512668.db2.gz MDCYESOEALEZSY-JOCHJYFZSA-N 1 3 381.951 3.998 20 0 GHADHO Clc1ccc(N2CCC([N@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)CC2)cc1 ZINC001246623202 1037512684 /nfs/dbraw/zinc/51/26/84/1037512684.db2.gz MDCYESOEALEZSY-JOCHJYFZSA-N 1 3 381.951 3.998 20 0 GHADHO Clc1ccc(N2CCC(N3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246623202 1037512705 /nfs/dbraw/zinc/51/27/05/1037512705.db2.gz MDCYESOEALEZSY-JOCHJYFZSA-N 1 3 381.951 3.998 20 0 GHADHO C[C@H](Cc1ccccn1)[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246622301 1037513490 /nfs/dbraw/zinc/51/34/90/1037513490.db2.gz YPEWEMZDKZWXOP-OFNKIYASSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@H](Cc1ccccn1)[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246622301 1037513508 /nfs/dbraw/zinc/51/35/08/1037513508.db2.gz YPEWEMZDKZWXOP-OFNKIYASSA-N 1 3 379.548 3.816 20 0 GHADHO C[C@H](Cc1ccccn1)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622301 1037513512 /nfs/dbraw/zinc/51/35/12/1037513512.db2.gz YPEWEMZDKZWXOP-OFNKIYASSA-N 1 3 379.548 3.816 20 0 GHADHO CC[C@H]1[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724646 1037574590 /nfs/dbraw/zinc/57/45/90/1037574590.db2.gz WDYLTUNNVKCPDV-URFJDIBFSA-N 1 3 375.601 3.799 20 0 GHADHO CC[C@H]1[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724646 1037574601 /nfs/dbraw/zinc/57/46/01/1037574601.db2.gz WDYLTUNNVKCPDV-URFJDIBFSA-N 1 3 375.601 3.799 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CCN1 ZINC001246747756 1037588598 /nfs/dbraw/zinc/58/85/98/1037588598.db2.gz RLGQHYFDBXLTPI-AZKZNFPZSA-N 1 3 383.580 3.635 20 0 GHADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CCN1 ZINC001246747756 1037588608 /nfs/dbraw/zinc/58/86/08/1037588608.db2.gz RLGQHYFDBXLTPI-AZKZNFPZSA-N 1 3 383.580 3.635 20 0 GHADHO CC[C@@H]1CC(N2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246755231 1037597179 /nfs/dbraw/zinc/59/71/79/1037597179.db2.gz HYVUSDMMGVETEJ-LZJOCLMNSA-N 1 3 375.582 3.795 20 0 GHADHO COC(=O)[C@H]1CN([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920812 1037726662 /nfs/dbraw/zinc/72/66/62/1037726662.db2.gz STHBRRCFKKYVBD-CZYKHXBRSA-N 1 3 382.479 3.507 20 0 GHADHO CC1(C)C[C@@H](N2CCC3(Cc4cc(Br)ccc4O3)CC2)CC[NH2+]1 ZINC001246920756 1037727053 /nfs/dbraw/zinc/72/70/53/1037727053.db2.gz FOSOSWYHWMAHCG-INIZCTEOSA-N 1 3 379.342 3.749 20 0 GHADHO CC1(C)[N@@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246924768 1037730162 /nfs/dbraw/zinc/73/01/62/1037730162.db2.gz JQXDJLBSNFQCDG-WZOHSFFVSA-N 1 3 390.527 3.691 20 0 GHADHO CC1(C)[N@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246924768 1037730187 /nfs/dbraw/zinc/73/01/87/1037730187.db2.gz JQXDJLBSNFQCDG-WZOHSFFVSA-N 1 3 390.527 3.691 20 0 GHADHO CC1(C)N([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246924768 1037730207 /nfs/dbraw/zinc/73/02/07/1037730207.db2.gz JQXDJLBSNFQCDG-WZOHSFFVSA-N 1 3 390.527 3.691 20 0 GHADHO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246987239 1037812263 /nfs/dbraw/zinc/81/22/63/1037812263.db2.gz FBUPQSHFMXYCNS-VABKMULXSA-N 1 3 378.516 3.973 20 0 GHADHO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246987239 1037812270 /nfs/dbraw/zinc/81/22/70/1037812270.db2.gz FBUPQSHFMXYCNS-VABKMULXSA-N 1 3 378.516 3.973 20 0 GHADHO CN1CCC([N@H+](C2CCNCC2)[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993637 1037818058 /nfs/dbraw/zinc/81/80/58/1037818058.db2.gz LPWSXVLXTYCZEN-LJQANCHMSA-N 1 3 396.406 3.999 20 0 GHADHO CN1CCC([N@@H+](C2CCNCC2)[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993637 1037818075 /nfs/dbraw/zinc/81/80/75/1037818075.db2.gz LPWSXVLXTYCZEN-LJQANCHMSA-N 1 3 396.406 3.999 20 0 GHADHO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001462219527 1070093422 /nfs/dbraw/zinc/09/34/22/1070093422.db2.gz KKTYTNGTEZQYKK-PFATUAPWSA-N 1 3 399.623 3.720 20 0 GHADHO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001462219527 1070093438 /nfs/dbraw/zinc/09/34/38/1070093438.db2.gz KKTYTNGTEZQYKK-PFATUAPWSA-N 1 3 399.623 3.720 20 0 GHADHO COc1ccc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)n1 ZINC001232336118 1038114830 /nfs/dbraw/zinc/11/48/30/1038114830.db2.gz ZJIJRPUFAQTGIL-JOCHJYFZSA-N 1 3 395.547 3.654 20 0 GHADHO COc1ccc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)n1 ZINC001232336118 1038114845 /nfs/dbraw/zinc/11/48/45/1038114845.db2.gz ZJIJRPUFAQTGIL-JOCHJYFZSA-N 1 3 395.547 3.654 20 0 GHADHO CC(C)[NH+]1CCC(CN(C)Cc2cccc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001232603757 1038384541 /nfs/dbraw/zinc/38/45/41/1038384541.db2.gz MEQQZAYJCUMZBX-UHFFFAOYSA-N 1 3 376.545 3.981 20 0 GHADHO CN1CC2(C1)CC[NH+](Cc1cc3c(s1)CN(C(=O)OC(C)(C)C)CC3)CC2 ZINC001232769784 1038544613 /nfs/dbraw/zinc/54/46/13/1038544613.db2.gz IVAHQSSXNFQRMB-UHFFFAOYSA-N 1 3 391.581 3.569 20 0 GHADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC001462296826 1070153455 /nfs/dbraw/zinc/15/34/55/1070153455.db2.gz FZTTZJFLRMQJJS-WOJBJXKFSA-N 1 3 375.557 3.628 20 0 GHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cccc3nccn31)CC2 ZINC001233362343 1039189501 /nfs/dbraw/zinc/18/95/01/1039189501.db2.gz YAUKZSDPBAVGJW-UHFFFAOYSA-N 1 3 375.520 3.606 20 0 GHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cccc3nccn31)CC2 ZINC001233362343 1039189516 /nfs/dbraw/zinc/18/95/16/1039189516.db2.gz YAUKZSDPBAVGJW-UHFFFAOYSA-N 1 3 375.520 3.606 20 0 GHADHO O[C@@H](CN1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1)c1ccc(F)c(F)c1 ZINC001253356975 1039568901 /nfs/dbraw/zinc/56/89/01/1039568901.db2.gz PMJQWJGBBLFZKQ-FQEVSTJZSA-N 1 3 376.447 3.579 20 0 GHADHO O[C@@H](CN1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1)c1ccc(F)c(F)c1 ZINC001253356975 1039568904 /nfs/dbraw/zinc/56/89/04/1039568904.db2.gz PMJQWJGBBLFZKQ-FQEVSTJZSA-N 1 3 376.447 3.579 20 0 GHADHO Cc1ccc(OC[C@H](O)CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001253830311 1039836913 /nfs/dbraw/zinc/83/69/13/1039836913.db2.gz DAWGKYGGUCJCEW-FSHOYSFVSA-N 1 3 396.575 3.630 20 0 GHADHO Cc1ccc(OC[C@H](O)CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001253830311 1039836941 /nfs/dbraw/zinc/83/69/41/1039836941.db2.gz DAWGKYGGUCJCEW-FSHOYSFVSA-N 1 3 396.575 3.630 20 0 GHADHO C[C@@H](CN(C)C)Oc1cccc2c1[C@@]13CC[N@H+](CC4CC4)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC001234709631 1040241901 /nfs/dbraw/zinc/24/19/01/1040241901.db2.gz NHTYIKZMSLWPNX-AOOPRCNYSA-N 1 3 396.575 3.663 20 0 GHADHO C[C@@H](CN(C)C)Oc1cccc2c1[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC001234709631 1040241916 /nfs/dbraw/zinc/24/19/16/1040241916.db2.gz NHTYIKZMSLWPNX-AOOPRCNYSA-N 1 3 396.575 3.663 20 0 GHADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)CCN(Cc2ccccc2)C1 ZINC001462450433 1070261541 /nfs/dbraw/zinc/26/15/41/1070261541.db2.gz IFKRIHWRQIDQKO-RDGATRHJSA-N 1 3 397.607 3.869 20 0 GHADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)CCN(Cc2ccccc2)C1 ZINC001462450433 1070261552 /nfs/dbraw/zinc/26/15/52/1070261552.db2.gz IFKRIHWRQIDQKO-RDGATRHJSA-N 1 3 397.607 3.869 20 0 GHADHO COc1cccc(CCC[N@@H+]2CCc3ccc(OC)cc3C23CCNCC3)c1 ZINC001235019234 1040508864 /nfs/dbraw/zinc/50/88/64/1040508864.db2.gz NYEIBVIPGZLOPJ-UHFFFAOYSA-N 1 3 380.532 3.773 20 0 GHADHO COc1cccc(CCC[N@H+]2CCc3ccc(OC)cc3C23CCNCC3)c1 ZINC001235019234 1040508885 /nfs/dbraw/zinc/50/88/85/1040508885.db2.gz NYEIBVIPGZLOPJ-UHFFFAOYSA-N 1 3 380.532 3.773 20 0 GHADHO c1ccc2c(c1)CC(N1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001255022092 1040735294 /nfs/dbraw/zinc/73/52/94/1040735294.db2.gz BLEVPULTWFMVEL-ILBGXUMGSA-N 1 3 380.576 3.614 20 0 GHADHO c1ccc2c(c1)CC(N1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001255022092 1040735311 /nfs/dbraw/zinc/73/53/11/1040735311.db2.gz BLEVPULTWFMVEL-ILBGXUMGSA-N 1 3 380.576 3.614 20 0 GHADHO NCc1cnnn1[C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255069752 1040763193 /nfs/dbraw/zinc/76/31/93/1040763193.db2.gz OBEQYVWFSKLPFF-GMKZXUHWSA-N 1 3 387.531 3.674 20 0 GHADHO NCc1cnnn1[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255069752 1040763206 /nfs/dbraw/zinc/76/32/06/1040763206.db2.gz OBEQYVWFSKLPFF-GMKZXUHWSA-N 1 3 387.531 3.674 20 0 GHADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(Cc1ccsc1Cl)C2 ZINC001235326837 1040796418 /nfs/dbraw/zinc/79/64/18/1040796418.db2.gz YCRHQFOSALMIPB-HNAYVOBHSA-N 1 3 382.957 3.546 20 0 GHADHO CCOC(=O)[C@@]12CN(Cc3c(Cl)ccc(C)c3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235353189 1040829191 /nfs/dbraw/zinc/82/91/91/1040829191.db2.gz WEOXILOCUMLVCK-LIRRHRJNSA-N 1 3 385.335 3.667 20 0 GHADHO Cc1nccn1-c1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235365267 1040855667 /nfs/dbraw/zinc/85/56/67/1040855667.db2.gz NKYKZIKBXOIHLN-ZCYQVOJMSA-N 1 3 386.543 3.934 20 0 GHADHO Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255149236 1040863505 /nfs/dbraw/zinc/86/35/05/1040863505.db2.gz GCHUPTKRBWRHBP-KAOXLYBCSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cncnc1O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255149236 1040863515 /nfs/dbraw/zinc/86/35/15/1040863515.db2.gz GCHUPTKRBWRHBP-KAOXLYBCSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255149237 1040868813 /nfs/dbraw/zinc/86/88/13/1040868813.db2.gz GCHUPTKRBWRHBP-WZYRSQIMSA-N 1 3 392.547 3.824 20 0 GHADHO Cc1cncnc1O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255149237 1040868822 /nfs/dbraw/zinc/86/88/22/1040868822.db2.gz GCHUPTKRBWRHBP-WZYRSQIMSA-N 1 3 392.547 3.824 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151268 1040875273 /nfs/dbraw/zinc/87/52/73/1040875273.db2.gz VGWIWNHFBJRCSU-LRSLUSHPSA-N 1 3 378.520 3.515 20 0 GHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151268 1040875286 /nfs/dbraw/zinc/87/52/86/1040875286.db2.gz VGWIWNHFBJRCSU-LRSLUSHPSA-N 1 3 378.520 3.515 20 0 GHADHO COc1ccc(N(C)c2ccc(CN3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)cc2)cc1 ZINC001235394547 1040909943 /nfs/dbraw/zinc/90/99/43/1040909943.db2.gz DNPYDITVXCGNIQ-AVRDEDQJSA-N 1 3 383.511 3.972 20 0 GHADHO Cn1cnc2c1cc(C1CCN(C[C@H]3CCC[NH2+]C3)CC1)nc2-c1ccccc1 ZINC001235490407 1040959769 /nfs/dbraw/zinc/95/97/69/1040959769.db2.gz UTMBSWZZNRBSAH-SFHVURJKSA-N 1 3 389.547 3.814 20 0 GHADHO c1c2c(nn1CC1CC1)[C@H](C[NH2+][C@H]1CCCN(Cc3ccccc3)CC1)OCC2 ZINC001255383478 1040974010 /nfs/dbraw/zinc/97/40/10/1040974010.db2.gz JZBZWNXYFVGKJL-GOTSBHOMSA-N 1 3 394.563 3.551 20 0 GHADHO Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255408890 1040996405 /nfs/dbraw/zinc/99/64/05/1040996405.db2.gz DTNMMDWVYCKYLB-FCHUYYIVSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1cncnc1O[C@@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255408890 1040996406 /nfs/dbraw/zinc/99/64/06/1040996406.db2.gz DTNMMDWVYCKYLB-FCHUYYIVSA-N 1 3 380.536 3.683 20 0 GHADHO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235619540 1041042269 /nfs/dbraw/zinc/04/22/69/1041042269.db2.gz ZNWARCNEBDTKLX-SIKLNZKXSA-N 1 3 398.595 3.577 20 0 GHADHO CC(C)(CN1CCN(C2(C)CC[NH2+]CC2)CC1)Sc1ccc(Cl)cc1 ZINC001235814934 1041328626 /nfs/dbraw/zinc/32/86/26/1041328626.db2.gz HDLINFLQUALRFI-UHFFFAOYSA-N 1 3 382.017 3.970 20 0 GHADHO Cc1cc(-c2cccc(Cl)c2)ncc1CN1CCC(N2CC[NH2+]CC2)CC1 ZINC001236128354 1041556387 /nfs/dbraw/zinc/55/63/87/1041556387.db2.gz OORBDXKPHOPZHQ-UHFFFAOYSA-N 1 3 384.955 3.580 20 0 GHADHO COc1ccc2c(Br)ccc(C[N@H+](C)[C@@H]3CCCC[C@@H]3N)c2n1 ZINC001236215316 1041626231 /nfs/dbraw/zinc/62/62/31/1041626231.db2.gz GQELMPLYTLDOLR-JKSUJKDBSA-N 1 3 378.314 3.708 20 0 GHADHO COc1ccc2c(Br)ccc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3N)c2n1 ZINC001236215316 1041626235 /nfs/dbraw/zinc/62/62/35/1041626235.db2.gz GQELMPLYTLDOLR-JKSUJKDBSA-N 1 3 378.314 3.708 20 0 GHADHO C[NH+](C)CCCNC(=O)c1cccnc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236246254 1041642858 /nfs/dbraw/zinc/64/28/58/1041642858.db2.gz ZZNJIFVZMVYTGU-UHFFFAOYSA-N 1 3 398.526 3.555 20 0 GHADHO COc1cc(CN(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)cc2c1OCO2 ZINC001236533595 1041754939 /nfs/dbraw/zinc/75/49/39/1041754939.db2.gz BKUWYXRBLPDBPZ-IYARVYRRSA-N 1 3 386.467 3.835 20 0 GHADHO CNc1nc(SC)ncc1CN(Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556393 1041761731 /nfs/dbraw/zinc/76/17/31/1041761731.db2.gz AMAWJQCULDEZNY-WGSAOQKQSA-N 1 3 385.581 3.821 20 0 GHADHO [NH3+][C@@H]1CCN(C2CCN(Cc3ccc(Br)c4ccccc34)CC2)C1 ZINC001236616854 1041783979 /nfs/dbraw/zinc/78/39/79/1041783979.db2.gz QJGJMXOXDAVAGB-MRXNPFEDSA-N 1 3 388.353 3.600 20 0 GHADHO COc1ccccc1Sc1ccc(CN2CCC(N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC001236622597 1041788548 /nfs/dbraw/zinc/78/85/48/1041788548.db2.gz QVTIVMPVXITZPK-IBGZPJMESA-N 1 3 397.588 3.844 20 0 GHADHO COc1ccc2c(c1)[nH]nc2CN(Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236754036 1041872878 /nfs/dbraw/zinc/87/28/78/1041872878.db2.gz HGSRVRQHRGUJCR-IYARVYRRSA-N 1 3 382.483 3.983 20 0 GHADHO COC(=O)c1cc2cc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001237311253 1042139689 /nfs/dbraw/zinc/13/96/89/1042139689.db2.gz QMHPZXJFJXHYBA-OYRHEFFESA-N 1 3 389.499 3.518 20 0 GHADHO COC(=O)c1cc2cc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001237311253 1042139695 /nfs/dbraw/zinc/13/96/95/1042139695.db2.gz QMHPZXJFJXHYBA-OYRHEFFESA-N 1 3 389.499 3.518 20 0 GHADHO Cc1cc(I)c(CN2CCC3(CC[C@@H]3[NH3+])CC2)cc1C ZINC001237359867 1042169298 /nfs/dbraw/zinc/16/92/98/1042169298.db2.gz QPQBFQQJZPRRLL-INIZCTEOSA-N 1 3 384.305 3.611 20 0 GHADHO CCOC(=O)COc1cccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001237917715 1042421928 /nfs/dbraw/zinc/42/19/28/1042421928.db2.gz AZXYEHSOCGMERK-QFIPXVFZSA-N 1 3 396.531 3.582 20 0 GHADHO CCOC(=O)COc1cccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001237917715 1042421931 /nfs/dbraw/zinc/42/19/31/1042421931.db2.gz AZXYEHSOCGMERK-QFIPXVFZSA-N 1 3 396.531 3.582 20 0 GHADHO CN(C)CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001239307657 1042806324 /nfs/dbraw/zinc/80/63/24/1042806324.db2.gz FXOVYYARTAQJDL-LJQANCHMSA-N 1 3 382.508 3.626 20 0 GHADHO C[C@@H]1C[C@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 ZINC001256543209 1043498934 /nfs/dbraw/zinc/49/89/34/1043498934.db2.gz RZXSAYATGGWPKL-TZIWHRDSSA-N 1 3 399.579 3.982 20 0 GHADHO CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)Cc1ccccc1 ZINC001256563940 1043538285 /nfs/dbraw/zinc/53/82/85/1043538285.db2.gz LFDBDKLRFSFSKA-FQEVSTJZSA-N 1 3 389.584 3.975 20 0 GHADHO [NH3+][C@H]1CCc2c3cc(F)ccc3n(C3CCN(Cc4ccncc4)CC3)c2C1 ZINC001256586085 1043554606 /nfs/dbraw/zinc/55/46/06/1043554606.db2.gz VNTGEMHTWVVQRP-SFHVURJKSA-N 1 3 378.495 3.829 20 0 GHADHO CC(C)(C)OC(=O)Nc1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256676417 1043615447 /nfs/dbraw/zinc/61/54/47/1043615447.db2.gz CJXQADCLQQPKNW-UHFFFAOYSA-N 1 3 389.540 3.767 20 0 GHADHO C[C@@H]1CC([NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C[C@@H](C)O1 ZINC001257091683 1043840425 /nfs/dbraw/zinc/84/04/25/1043840425.db2.gz GCEWHWYJOOFIMF-ZHALLVOQSA-N 1 3 378.582 3.759 20 0 GHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257557735 1044041776 /nfs/dbraw/zinc/04/17/76/1044041776.db2.gz PSMGQELEHVWOHE-MRXNPFEDSA-N 1 3 395.385 3.861 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C)([NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC001257975109 1044298421 /nfs/dbraw/zinc/29/84/21/1044298421.db2.gz CAUZXLRUCIFHDG-WOJBJXKFSA-N 1 3 387.568 3.810 20 0 GHADHO CC(C)CN1CCC([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001258001203 1044329714 /nfs/dbraw/zinc/32/97/14/1044329714.db2.gz GYPODYOFBWQLDX-RTBURBONSA-N 1 3 381.605 3.980 20 0 GHADHO COC(=O)CC[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001258358055 1044522293 /nfs/dbraw/zinc/52/22/93/1044522293.db2.gz MPVNEIRTGHEEQA-PMOQBDJRSA-N 1 3 380.532 3.976 20 0 GHADHO COC(=O)CC[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001258358055 1044522311 /nfs/dbraw/zinc/52/23/11/1044522311.db2.gz MPVNEIRTGHEEQA-PMOQBDJRSA-N 1 3 380.532 3.976 20 0 GHADHO CCC[NH+](CCC)CCN1CCN([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258409362 1044545377 /nfs/dbraw/zinc/54/53/77/1044545377.db2.gz SYXVHFYIAMQGRQ-NRFANRHFSA-N 1 3 375.601 3.756 20 0 GHADHO COc1cc(C[C@H](C)[N@@H+]2CCCC[C@H]2CCN2CCCC2)cc(OC)c1OC ZINC001258872112 1044814017 /nfs/dbraw/zinc/81/40/17/1044814017.db2.gz NYSQGFDDJJUAAW-ICSRJNTNSA-N 1 3 390.568 3.984 20 0 GHADHO COc1cc(C[C@H](C)[N@H+]2CCCC[C@H]2CCN2CCCC2)cc(OC)c1OC ZINC001258872112 1044814044 /nfs/dbraw/zinc/81/40/44/1044814044.db2.gz NYSQGFDDJJUAAW-ICSRJNTNSA-N 1 3 390.568 3.984 20 0 GHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1)[NH+](C)C ZINC001296529387 1045332568 /nfs/dbraw/zinc/33/25/68/1045332568.db2.gz HPCCBBWBAPZZLF-MBSDFSHPSA-N 1 3 388.515 3.977 20 0 GHADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606660117 1047327037 /nfs/dbraw/zinc/32/70/37/1047327037.db2.gz QOHXSSVNVVRZLW-PKTZIBPZSA-N 1 3 398.595 3.701 20 0 GHADHO Cc1ccc(CN2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)c(Cl)c1Cl ZINC001279301072 1047759963 /nfs/dbraw/zinc/75/99/63/1047759963.db2.gz AXGHZQXICKGIJZ-IYBDPMFKSA-N 1 3 398.378 3.534 20 0 GHADHO Cc1ccc(CN2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)c(Cl)c1Cl ZINC001279301072 1047759968 /nfs/dbraw/zinc/75/99/68/1047759968.db2.gz AXGHZQXICKGIJZ-IYBDPMFKSA-N 1 3 398.378 3.534 20 0 GHADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001304850946 1047791203 /nfs/dbraw/zinc/79/12/03/1047791203.db2.gz JKSMGINBKZWYFE-GOSISDBHSA-N 1 3 398.599 3.636 20 0 GHADHO Brc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)s1 ZINC001279397580 1047793325 /nfs/dbraw/zinc/79/33/25/1047793325.db2.gz ILBQRZRNZLWGRR-GASCZTMLSA-N 1 3 395.370 3.578 20 0 GHADHO Brc1ccc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)s1 ZINC001279397580 1047793333 /nfs/dbraw/zinc/79/33/33/1047793333.db2.gz ILBQRZRNZLWGRR-GASCZTMLSA-N 1 3 395.370 3.578 20 0 GHADHO CN1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)C1 ZINC001308465845 1049982617 /nfs/dbraw/zinc/98/26/17/1049982617.db2.gz SMMHNKWUDOKSRT-AWEZNQCLSA-N 1 3 377.330 3.661 20 0 GHADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001308617419 1050034979 /nfs/dbraw/zinc/03/49/79/1050034979.db2.gz DAKUYVGQAYRUDT-AQNXPRMDSA-N 1 3 379.589 3.878 20 0 GHADHO CC[N@H+](CCC1CCN(C(=O)NCCN2CCC(C)CC2)CC1)CC(C)C ZINC001311397053 1052091397 /nfs/dbraw/zinc/09/13/97/1052091397.db2.gz CRBCDXPOLIKUOW-UHFFFAOYSA-N 1 3 380.621 3.508 20 0 GHADHO CC[N@@H+](CCC1CCN(C(=O)NCCN2CCC(C)CC2)CC1)CC(C)C ZINC001311397053 1052091411 /nfs/dbraw/zinc/09/14/11/1052091411.db2.gz CRBCDXPOLIKUOW-UHFFFAOYSA-N 1 3 380.621 3.508 20 0 GHADHO CC(C)C1CCC(N2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)CC1 ZINC001311617437 1052283984 /nfs/dbraw/zinc/28/39/84/1052283984.db2.gz PAADPZBIJIGBEU-UHFFFAOYSA-N 1 3 392.632 3.791 20 0 GHADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C(C)C ZINC001312180041 1052620011 /nfs/dbraw/zinc/62/00/11/1052620011.db2.gz BFTCGTBANKYFRI-JOCHJYFZSA-N 1 3 388.600 3.849 20 0 GHADHO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H](c1ccccc1)N(C)C ZINC001312662705 1052830196 /nfs/dbraw/zinc/83/01/96/1052830196.db2.gz XMKRTSKZNHMFBJ-VLCRHTCISA-N 1 3 386.584 3.774 20 0 GHADHO C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@H](c1ccccc1)N(C)C ZINC001312662705 1052830202 /nfs/dbraw/zinc/83/02/02/1052830202.db2.gz XMKRTSKZNHMFBJ-VLCRHTCISA-N 1 3 386.584 3.774 20 0 GHADHO N[C@@H](CC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)c1ccccc1 ZINC001342867689 1053398575 /nfs/dbraw/zinc/39/85/75/1053398575.db2.gz OTMJGDRPCPXQOH-QFIPXVFZSA-N 1 3 377.532 3.690 20 0 GHADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001322075655 1056505629 /nfs/dbraw/zinc/50/56/29/1056505629.db2.gz WGRGRTQBKXBHAV-GOTSBHOMSA-N 1 3 383.580 3.684 20 0 GHADHO COc1cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC000848575375 1057189217 /nfs/dbraw/zinc/18/92/17/1057189217.db2.gz PKWXUPQNUFGZBA-HZPDHXFCSA-N 1 3 383.330 3.573 20 0 GHADHO COc1cc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC000848575375 1057189222 /nfs/dbraw/zinc/18/92/22/1057189222.db2.gz PKWXUPQNUFGZBA-HZPDHXFCSA-N 1 3 383.330 3.573 20 0 GHADHO CC[N@@H+](Cc1ccc(/C=C\C(=O)OC)o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000848889043 1057399016 /nfs/dbraw/zinc/39/90/16/1057399016.db2.gz GLYWRKQRTFSGMO-DUQGCJEPSA-N 1 3 382.504 3.810 20 0 GHADHO CC[N@H+](Cc1ccc(/C=C\C(=O)OC)o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000848889043 1057399019 /nfs/dbraw/zinc/39/90/19/1057399019.db2.gz GLYWRKQRTFSGMO-DUQGCJEPSA-N 1 3 382.504 3.810 20 0 GHADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000849001952 1057506961 /nfs/dbraw/zinc/50/69/61/1057506961.db2.gz UKVDDOZCYWJLKP-QGZVFWFLSA-N 1 3 391.972 3.604 20 0 GHADHO CC[C@@H](C)NC(=[NH2+])NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000849013242 1057521662 /nfs/dbraw/zinc/52/16/62/1057521662.db2.gz TUIVVSFKJONVSQ-MRXNPFEDSA-N 1 3 399.505 3.520 20 0 GHADHO [NH2+]=C(NCC1(c2ccc(F)cc2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849071564 1057580614 /nfs/dbraw/zinc/58/06/14/1057580614.db2.gz HULIKXMOZOXRBM-UHFFFAOYSA-N 1 3 380.511 3.636 20 0 GHADHO [NH2+]=C(NCCc1c[nH]c2ccc(F)cc12)NC1CCN(Cc2ccccc2)CC1 ZINC000849094914 1057592171 /nfs/dbraw/zinc/59/21/71/1057592171.db2.gz UGLSDDWROPSDQR-UHFFFAOYSA-N 1 3 393.510 3.628 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccsc1 ZINC001441312230 1058748088 /nfs/dbraw/zinc/74/80/88/1058748088.db2.gz JMHCDBBFYHJGDS-QHAWAJNXSA-N 1 3 385.577 3.593 20 0 GHADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccsc1 ZINC001441312230 1058748108 /nfs/dbraw/zinc/74/81/08/1058748108.db2.gz JMHCDBBFYHJGDS-QHAWAJNXSA-N 1 3 385.577 3.593 20 0 GHADHO COc1ccc([C@@H](NC(C)C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001457531016 1063227071 /nfs/dbraw/zinc/22/70/71/1063227071.db2.gz LEBUDWDSRUKSRV-HSZRJFAPSA-N 1 3 395.547 3.647 20 0 GHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001436160480 1063248371 /nfs/dbraw/zinc/24/83/71/1063248371.db2.gz BCPMKCQWHRMTSN-QHCPKHFHSA-N 1 3 389.559 3.747 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(N4CCCCC4)c3)CC2)CC1 ZINC000847382609 1065185092 /nfs/dbraw/zinc/18/50/92/1065185092.db2.gz UKSYWGHSHMXXBV-UHFFFAOYSA-N 1 3 398.595 3.812 20 0 GHADHO [NH2+]=C(NCc1c(F)cc(F)c(F)c1F)NC1CCN(Cc2ccccc2)CC1 ZINC000849097221 1067726081 /nfs/dbraw/zinc/72/60/81/1067726081.db2.gz IBZWYRVZUOYHSA-UHFFFAOYSA-N 1 3 394.416 3.522 20 0 GHADHO [NH2+]=C(NC[C@@H]1CCCCC(F)(F)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849102525 1067728667 /nfs/dbraw/zinc/72/86/67/1067728667.db2.gz KXASQVBVOAOCDQ-GOSISDBHSA-N 1 3 378.511 3.981 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001468872192 1067914426 /nfs/dbraw/zinc/91/44/26/1067914426.db2.gz GWFLPOLHVQUKJY-FYYLOGMGSA-N 1 3 398.595 3.920 20 0 GHADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001468872192 1067914430 /nfs/dbraw/zinc/91/44/30/1067914430.db2.gz GWFLPOLHVQUKJY-FYYLOGMGSA-N 1 3 398.595 3.920 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC001469319549 1068100596 /nfs/dbraw/zinc/10/05/96/1068100596.db2.gz VAOPIDVNULIFAL-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC001478700893 1078960198 /nfs/dbraw/zinc/96/01/98/1078960198.db2.gz KKRFDPUCGYEUCU-YLJYHZDGSA-N 1 3 392.613 3.575 20 0 GHADHO CSc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC001478700893 1078960204 /nfs/dbraw/zinc/96/02/04/1078960204.db2.gz KKRFDPUCGYEUCU-YLJYHZDGSA-N 1 3 392.613 3.575 20 0 GHADHO C[NH+](C)CCN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CCCC1 ZINC001471104754 1072924175 /nfs/dbraw/zinc/92/41/75/1072924175.db2.gz BACOZSDATYMSBQ-JOCHJYFZSA-N 1 3 386.584 3.557 20 0 GHADHO CN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001471376673 1073044581 /nfs/dbraw/zinc/04/45/81/1073044581.db2.gz OGNATWNATMNHTR-XERBYJISSA-N 1 3 398.595 3.699 20 0 GHADHO CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001478956659 1079038736 /nfs/dbraw/zinc/03/87/36/1079038736.db2.gz DUARQNJPNUGXLH-BVSLBCMMSA-N 1 3 388.600 3.626 20 0 GHADHO CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001478956659 1079038741 /nfs/dbraw/zinc/03/87/41/1079038741.db2.gz DUARQNJPNUGXLH-BVSLBCMMSA-N 1 3 388.600 3.626 20 0 GHADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCC1 ZINC001472318617 1073418994 /nfs/dbraw/zinc/41/89/94/1073418994.db2.gz SVDPCOOXYDSRDD-BHIFYINESA-N 1 3 383.580 3.668 20 0 GHADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCC1 ZINC001472318617 1073419004 /nfs/dbraw/zinc/41/90/04/1073419004.db2.gz SVDPCOOXYDSRDD-BHIFYINESA-N 1 3 383.580 3.668 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(-n2cncn2)cc1 ZINC001474041928 1074245502 /nfs/dbraw/zinc/24/55/02/1074245502.db2.gz DQMJWFLXYFSSQD-MOJGAOKDSA-N 1 3 375.520 3.514 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(-n2cncn2)cc1 ZINC001474041928 1074245507 /nfs/dbraw/zinc/24/55/07/1074245507.db2.gz DQMJWFLXYFSSQD-MOJGAOKDSA-N 1 3 375.520 3.514 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC001474317475 1074339161 /nfs/dbraw/zinc/33/91/61/1074339161.db2.gz GWHQRQFRTYHXDK-PXNSSMCTSA-N 1 3 375.557 3.873 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC001474317475 1074339165 /nfs/dbraw/zinc/33/91/65/1074339165.db2.gz GWHQRQFRTYHXDK-PXNSSMCTSA-N 1 3 375.557 3.873 20 0 GHADHO CN(C)c1nc(Cl)c(CNCC2(c3ccccc3)CC[NH+](C)CC2)s1 ZINC001474667533 1074506196 /nfs/dbraw/zinc/50/61/96/1074506196.db2.gz DEPHYJROJQQUPC-UHFFFAOYSA-N 1 3 378.973 3.616 20 0 GHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCc3ncc(Br)n3C2)CC1 ZINC001474748176 1074544530 /nfs/dbraw/zinc/54/45/30/1074544530.db2.gz NOLGBABWFOAFLA-PVAVHDDUSA-N 1 3 395.389 3.593 20 0 GHADHO COc1cc(Br)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647544020 837475501 /nfs/dbraw/zinc/47/55/01/837475501.db2.gz VOWZNCBEKWYSJS-LSDHHAIUSA-N 1 3 397.357 3.678 20 0 GHADHO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(CN2CCCC2)c1 ZINC000139251975 834734494 /nfs/dbraw/zinc/73/44/94/834734494.db2.gz OGBLFUAENZMDPP-UHFFFAOYSA-N 1 3 377.532 3.808 20 0 GHADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000141377424 834780331 /nfs/dbraw/zinc/78/03/31/834780331.db2.gz SRXXEVFPWSFVNB-JOCHJYFZSA-N 1 3 382.552 3.549 20 0 GHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000141377424 834780338 /nfs/dbraw/zinc/78/03/38/834780338.db2.gz SRXXEVFPWSFVNB-JOCHJYFZSA-N 1 3 382.552 3.549 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000143598048 834798089 /nfs/dbraw/zinc/79/80/89/834798089.db2.gz OVMUAQZAGVMMLW-YKSBVNFPSA-N 1 3 391.559 3.850 20 0 GHADHO CS(=O)(=O)c1cccc([C@H](NCCC2(C[NH3+])CC2)c2ccc(Cl)cc2)c1 ZINC000650745276 834910931 /nfs/dbraw/zinc/91/09/31/834910931.db2.gz CSKDJSKRQDZUES-LJQANCHMSA-N 1 3 392.952 3.552 20 0 GHADHO Cc1cccn2cc(COc3ccc(CN(C)[C@H]4CC[N@@H+](C)C[C@H]4C)cc3)nc12 ZINC000685470410 835034631 /nfs/dbraw/zinc/03/46/31/835034631.db2.gz MQUIAQIRRWBTEK-XXBNENTESA-N 1 3 392.547 3.994 20 0 GHADHO Cc1cccn2cc(COc3ccc(CN(C)[C@H]4CC[N@H+](C)C[C@H]4C)cc3)nc12 ZINC000685470410 835034642 /nfs/dbraw/zinc/03/46/42/835034642.db2.gz MQUIAQIRRWBTEK-XXBNENTESA-N 1 3 392.547 3.994 20 0 GHADHO Cn1cc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000685632363 835239567 /nfs/dbraw/zinc/23/95/67/835239567.db2.gz GOKFASOMLCLCHN-OAQYLSRUSA-N 1 3 389.547 3.874 20 0 GHADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ncc(-c2ccccc2)n1C ZINC000658069576 835409898 /nfs/dbraw/zinc/40/98/98/835409898.db2.gz HUMCUFPAMYSUHJ-SFHVURJKSA-N 1 3 382.552 3.629 20 0 GHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142198 835454064 /nfs/dbraw/zinc/45/40/64/835454064.db2.gz DMBWYDZFJFSNHP-BEFAXECRSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142198 835454066 /nfs/dbraw/zinc/45/40/66/835454066.db2.gz DMBWYDZFJFSNHP-BEFAXECRSA-N 1 3 376.447 3.705 20 0 GHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccnn1-c1ccccc1 ZINC000658166099 835480710 /nfs/dbraw/zinc/48/07/10/835480710.db2.gz MKNSWJWAYVOBNA-LJQANCHMSA-N 1 3 375.520 3.830 20 0 GHADHO Cn1cc([C@H](NCC2CC[NH+](Cc3ccncc3)CC2)c2cccc(F)c2)cn1 ZINC000658168568 835483352 /nfs/dbraw/zinc/48/33/52/835483352.db2.gz XWSIVAVAAKWLTG-HSZRJFAPSA-N 1 3 393.510 3.545 20 0 GHADHO Cn1cc([C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2cccc(F)c2)cn1 ZINC000658168568 835483356 /nfs/dbraw/zinc/48/33/56/835483356.db2.gz XWSIVAVAAKWLTG-HSZRJFAPSA-N 1 3 393.510 3.545 20 0 GHADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000584107219 835656020 /nfs/dbraw/zinc/65/60/20/835656020.db2.gz VFXGMXTUPXPRLQ-ZJSXRUAMSA-N 1 3 388.515 3.835 20 0 GHADHO CC1CC[NH+](CCCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000109348068 835837304 /nfs/dbraw/zinc/83/73/04/835837304.db2.gz NBEXZRXFDBXHPP-NRFANRHFSA-N 1 3 389.559 3.666 20 0 GHADHO COCC[NH+]1CCC(N[C@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657849195 835929546 /nfs/dbraw/zinc/92/95/46/835929546.db2.gz GNSLAXYUULPXPR-GFCCVEGCSA-N 1 3 375.738 3.864 20 0 GHADHO COc1ccc([C@H](NCC2CC[NH+](CCO)CC2)c2ccccc2Cl)cc1 ZINC000180485732 836179186 /nfs/dbraw/zinc/17/91/86/836179186.db2.gz OFFAIOBHGBNKIQ-QFIPXVFZSA-N 1 3 388.939 3.732 20 0 GHADHO c1cc2cccc(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)c2[nH]1 ZINC000236698303 836439635 /nfs/dbraw/zinc/43/96/35/836439635.db2.gz MEQVCFCMJRPQQG-UHFFFAOYSA-N 1 3 376.548 3.856 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000511394148 836927897 /nfs/dbraw/zinc/92/78/97/836927897.db2.gz BECRSWVLEUZEEV-BVYCBKJFSA-N 1 3 394.003 3.956 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000511394148 836927901 /nfs/dbraw/zinc/92/79/01/836927901.db2.gz BECRSWVLEUZEEV-BVYCBKJFSA-N 1 3 394.003 3.956 20 0 GHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119900382 836967316 /nfs/dbraw/zinc/96/73/16/836967316.db2.gz VDQFYRKUYZTFNH-NCZKRNLISA-N 1 3 390.881 3.651 20 0 GHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119900382 836967322 /nfs/dbraw/zinc/96/73/22/836967322.db2.gz VDQFYRKUYZTFNH-NCZKRNLISA-N 1 3 390.881 3.651 20 0 GHADHO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001167283655 837311838 /nfs/dbraw/zinc/31/18/38/837311838.db2.gz KEMCFSANMRKCLI-DEOSSOPVSA-N 1 3 399.623 3.815 20 0 GHADHO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001167283655 837311854 /nfs/dbraw/zinc/31/18/54/837311854.db2.gz KEMCFSANMRKCLI-DEOSSOPVSA-N 1 3 399.623 3.815 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000510298798 838032609 /nfs/dbraw/zinc/03/26/09/838032609.db2.gz OFPPUDIBYHBPPF-UHFFFAOYSA-N 1 3 391.515 3.673 20 0 GHADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000510298798 838032618 /nfs/dbraw/zinc/03/26/18/838032618.db2.gz OFPPUDIBYHBPPF-UHFFFAOYSA-N 1 3 391.515 3.673 20 0 GHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1NCc2ccccc21 ZINC000659285335 838210600 /nfs/dbraw/zinc/21/06/00/838210600.db2.gz MKMVVGNTFRHPJH-NFBKMPQASA-N 1 3 377.532 3.592 20 0 GHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1NCc2ccccc21 ZINC000659285335 838210617 /nfs/dbraw/zinc/21/06/17/838210617.db2.gz MKMVVGNTFRHPJH-NFBKMPQASA-N 1 3 377.532 3.592 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000415919582 838270702 /nfs/dbraw/zinc/27/07/02/838270702.db2.gz NLXZUMXKZUSTDF-NRFANRHFSA-N 1 3 380.536 3.924 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]2NCc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000659319243 838278250 /nfs/dbraw/zinc/27/82/50/838278250.db2.gz LLUOWCCTWUDHIO-XQFWAAQXSA-N 1 3 377.532 3.638 20 0 GHADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]2NCc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000659319243 838278254 /nfs/dbraw/zinc/27/82/54/838278254.db2.gz LLUOWCCTWUDHIO-XQFWAAQXSA-N 1 3 377.532 3.638 20 0 GHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000415942760 838295914 /nfs/dbraw/zinc/29/59/14/838295914.db2.gz KFUAPEWOEKORAV-QFIPXVFZSA-N 1 3 396.535 3.763 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415953658 838316078 /nfs/dbraw/zinc/31/60/78/838316078.db2.gz JERMNNBHITWHKD-QGZVFWFLSA-N 1 3 396.510 3.600 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)N(C)C)cc1 ZINC000415960442 838329061 /nfs/dbraw/zinc/32/90/61/838329061.db2.gz BIJPFYWWHBUQBS-GOSISDBHSA-N 1 3 394.441 3.897 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380225 838344430 /nfs/dbraw/zinc/34/44/30/838344430.db2.gz BGDCJBCIFDXVIW-GGAORHGYSA-N 1 3 389.543 3.640 20 0 GHADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659380225 838344436 /nfs/dbraw/zinc/34/44/36/838344436.db2.gz BGDCJBCIFDXVIW-GGAORHGYSA-N 1 3 389.543 3.640 20 0 GHADHO Cn1c2ccc(C[N@@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cc2sc1=O ZINC000584561731 838632204 /nfs/dbraw/zinc/63/22/04/838632204.db2.gz WWLMULLZPRYZGL-VQTJNVASSA-N 1 3 393.556 3.554 20 0 GHADHO Cn1c2ccc(C[N@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cc2sc1=O ZINC000584561731 838632205 /nfs/dbraw/zinc/63/22/05/838632205.db2.gz WWLMULLZPRYZGL-VQTJNVASSA-N 1 3 393.556 3.554 20 0 GHADHO CC(C)[NH+]1CCC(N[C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000236821320 838984558 /nfs/dbraw/zinc/98/45/58/838984558.db2.gz SNMGMLJVVQNGRX-CQSZACIVSA-N 1 3 382.346 3.629 20 0 GHADHO [NH3+]C[C@@H]1CN(Cc2cccc(OCc3ccc(F)cc3)c2)CC12CCOCC2 ZINC000580192399 839027321 /nfs/dbraw/zinc/02/73/21/839027321.db2.gz MYSUVGLJBOGDFE-HXUWFJFHSA-N 1 3 384.495 3.592 20 0 GHADHO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000415100926 839206319 /nfs/dbraw/zinc/20/63/19/839206319.db2.gz AWGGXDAGGIJHTM-LJQANCHMSA-N 1 3 379.508 3.514 20 0 GHADHO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000415100926 839206332 /nfs/dbraw/zinc/20/63/32/839206332.db2.gz AWGGXDAGGIJHTM-LJQANCHMSA-N 1 3 379.508 3.514 20 0 GHADHO CCCCCOc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000415111792 839233091 /nfs/dbraw/zinc/23/30/91/839233091.db2.gz QZVYXZSRJUAPNF-NFBKMPQASA-N 1 3 390.568 3.983 20 0 GHADHO [NH3+]CC1(O)CCN(Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000415143289 839269724 /nfs/dbraw/zinc/26/97/24/839269724.db2.gz RTWLJQFMAWONMA-UHFFFAOYSA-N 1 3 380.410 3.783 20 0 GHADHO Fc1ccc(-c2nnc3n2C[C@@H]([NH2+]C2CCN(C4CCCCC4)CC2)CC3)cc1 ZINC000378553581 839334481 /nfs/dbraw/zinc/33/44/81/839334481.db2.gz ULKVGCYDBLONBC-FQEVSTJZSA-N 1 3 397.542 3.786 20 0 GHADHO c1cn(Cc2ccccc2CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000580499315 839694757 /nfs/dbraw/zinc/69/47/57/839694757.db2.gz WMCIQKJZFVSQBG-CCDWMCETSA-N 1 3 386.543 3.932 20 0 GHADHO c1cn(Cc2ccccc2CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000580499315 839694761 /nfs/dbraw/zinc/69/47/61/839694761.db2.gz WMCIQKJZFVSQBG-CCDWMCETSA-N 1 3 386.543 3.932 20 0 GHADHO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)s2)cc1C ZINC000656255767 839853833 /nfs/dbraw/zinc/85/38/33/839853833.db2.gz OYHWUOKMWJUDPN-UGKGYDQZSA-N 1 3 398.620 3.885 20 0 GHADHO Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)s2)cc1C ZINC000656255767 839853837 /nfs/dbraw/zinc/85/38/37/839853837.db2.gz OYHWUOKMWJUDPN-UGKGYDQZSA-N 1 3 398.620 3.885 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829278 840298919 /nfs/dbraw/zinc/29/89/19/840298919.db2.gz HHYHSCDPLUNARE-GGAORHGYSA-N 1 3 390.527 3.691 20 0 GHADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829278 840298935 /nfs/dbraw/zinc/29/89/35/840298935.db2.gz HHYHSCDPLUNARE-GGAORHGYSA-N 1 3 390.527 3.691 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000417351509 840748425 /nfs/dbraw/zinc/74/84/25/840748425.db2.gz CXDRQVMANYBWMX-XZOQPEGZSA-N 1 3 394.563 3.911 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3CSC)CC2)CC1 ZINC000581498127 841543352 /nfs/dbraw/zinc/54/33/52/841543352.db2.gz PFBCASWUBMKINF-UHFFFAOYSA-N 1 3 375.582 3.684 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662824321 841705814 /nfs/dbraw/zinc/70/58/14/841705814.db2.gz BRBHEWPNGBTDFM-MRXNPFEDSA-N 1 3 375.582 3.511 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662824321 841705820 /nfs/dbraw/zinc/70/58/20/841705820.db2.gz BRBHEWPNGBTDFM-MRXNPFEDSA-N 1 3 375.582 3.511 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccccc3)C(F)(F)F)CC2)CC1 ZINC000581616354 841787061 /nfs/dbraw/zinc/78/70/61/841787061.db2.gz JYRUZHSDNXOMJR-LJQANCHMSA-N 1 3 397.485 3.603 20 0 GHADHO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782986 841913849 /nfs/dbraw/zinc/91/38/49/841913849.db2.gz KSNRTQOZFWOOPG-KRWDZBQOSA-N 1 3 385.533 3.750 20 0 GHADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1OCc1ccncc1 ZINC000656787131 841928295 /nfs/dbraw/zinc/92/82/95/841928295.db2.gz USYZZRCPAQKVLC-QFIPXVFZSA-N 1 3 395.547 3.881 20 0 GHADHO FC(F)(F)c1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166289371 842010185 /nfs/dbraw/zinc/01/01/85/842010185.db2.gz UCCGLODHLLXCPZ-RTBURBONSA-N 1 3 382.470 3.970 20 0 GHADHO FC(F)(F)c1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166289371 842010204 /nfs/dbraw/zinc/01/02/04/842010204.db2.gz UCCGLODHLLXCPZ-RTBURBONSA-N 1 3 382.470 3.970 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])[C@@H](C)C1 ZINC000248480553 842680603 /nfs/dbraw/zinc/68/06/03/842680603.db2.gz APBSXEURLPPBTC-MPGHIAIKSA-N 1 3 399.373 3.942 20 0 GHADHO CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])[C@@H](C)C1 ZINC000248480553 842680608 /nfs/dbraw/zinc/68/06/08/842680608.db2.gz APBSXEURLPPBTC-MPGHIAIKSA-N 1 3 399.373 3.942 20 0 GHADHO COc1cccc(C(=O)N2CCC([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CC2)c1 ZINC001167854820 842745653 /nfs/dbraw/zinc/74/56/53/842745653.db2.gz IWUYQWVJTYKVCJ-UHFFFAOYSA-N 1 3 387.568 3.541 20 0 GHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc3c2CNC3)C1 ZINC000662388403 843184230 /nfs/dbraw/zinc/18/42/30/843184230.db2.gz OAYDBXVYPJIGCF-ROUUACIJSA-N 1 3 377.532 3.698 20 0 GHADHO O[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)Cc1ccc(F)cc1 ZINC000663368642 843331008 /nfs/dbraw/zinc/33/10/08/843331008.db2.gz LWFQWBHRKNQSJP-GMAHTHKFSA-N 1 3 382.523 3.621 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662503694 843349458 /nfs/dbraw/zinc/34/94/58/843349458.db2.gz VPSCETPHEYKMIR-UYAOXDASSA-N 1 3 395.572 3.521 20 0 GHADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503694 843349469 /nfs/dbraw/zinc/34/94/69/843349469.db2.gz VPSCETPHEYKMIR-UYAOXDASSA-N 1 3 395.572 3.521 20 0 GHADHO CN(C)C[C@@H](NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccc(Cl)cc1 ZINC000662533110 843396542 /nfs/dbraw/zinc/39/65/42/843396542.db2.gz ZNUPYLNJCOFXTR-GHTZIAJQSA-N 1 3 385.939 3.751 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466844 843665019 /nfs/dbraw/zinc/66/50/19/843665019.db2.gz ALEATDDTZJDNDK-WBVHZDCISA-N 1 3 393.959 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466844 843665024 /nfs/dbraw/zinc/66/50/24/843665024.db2.gz ALEATDDTZJDNDK-WBVHZDCISA-N 1 3 393.959 3.777 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466844 843665028 /nfs/dbraw/zinc/66/50/28/843665028.db2.gz ALEATDDTZJDNDK-WBVHZDCISA-N 1 3 393.959 3.777 20 0 GHADHO C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182402489 843736614 /nfs/dbraw/zinc/73/66/14/843736614.db2.gz IHBAADILYYUOOS-WPYKKVEZSA-N 1 3 398.595 3.776 20 0 GHADHO C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182402489 843736625 /nfs/dbraw/zinc/73/66/25/843736625.db2.gz IHBAADILYYUOOS-WPYKKVEZSA-N 1 3 398.595 3.776 20 0 GHADHO CN1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000179078903 861466269 /nfs/dbraw/zinc/46/62/69/861466269.db2.gz VQFQKJFXHLRQTD-GOTSBHOMSA-N 1 3 392.547 3.527 20 0 GHADHO COCc1ccccc1/C=C(/C)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000512467834 843911501 /nfs/dbraw/zinc/91/15/01/843911501.db2.gz GDYVSXFWLALTRD-FXBPSFAMSA-N 1 3 385.596 3.586 20 0 GHADHO O=C(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)N1CCCCCC1 ZINC000512666128 844959848 /nfs/dbraw/zinc/95/98/48/844959848.db2.gz IZNJOYWLMDZGKV-DNVJHFABSA-N 1 3 383.580 3.669 20 0 GHADHO CN1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000318963255 845434284 /nfs/dbraw/zinc/43/42/84/845434284.db2.gz CWKYZDJETIUHRP-LBPRGKRZSA-N 1 3 381.236 3.779 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNCc3ccnn3-c3ccncc3)cc2)CC1 ZINC000657299392 845845306 /nfs/dbraw/zinc/84/53/06/845845306.db2.gz WDKFHFAOSRQPML-UHFFFAOYSA-N 1 3 375.520 3.789 20 0 GHADHO C[C@@H](NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000625325016 861611991 /nfs/dbraw/zinc/61/19/91/861611991.db2.gz GEODHGKCLBBAIM-VAMGGRTRSA-N 1 3 379.548 3.610 20 0 GHADHO CCN1CCN(CCC[NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000657307308 845947652 /nfs/dbraw/zinc/94/76/52/845947652.db2.gz AEGALGQXWRLYJO-UHFFFAOYSA-N 1 3 396.398 3.781 20 0 GHADHO Clc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000582179123 846590269 /nfs/dbraw/zinc/59/02/69/846590269.db2.gz KYXAVWHCNRHXLL-WKDRNLAYSA-N 1 3 390.955 3.562 20 0 GHADHO Clc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000582179123 846590282 /nfs/dbraw/zinc/59/02/82/846590282.db2.gz KYXAVWHCNRHXLL-WKDRNLAYSA-N 1 3 390.955 3.562 20 0 GHADHO OC1(C[NH2+]Cc2cnc(-c3cccs3)s2)CCN(Cc2ccccc2)CC1 ZINC000414556297 846621309 /nfs/dbraw/zinc/62/13/09/846621309.db2.gz YEOZJYZSLOMLCU-UHFFFAOYSA-N 1 3 399.585 3.988 20 0 GHADHO C[NH+](C)[C@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000501360121 846868119 /nfs/dbraw/zinc/86/81/19/846868119.db2.gz LUOSGORXONMSRL-FGZHOGPDSA-N 1 3 386.584 3.633 20 0 GHADHO CC(C)(C)[NH2+]CCC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001268911397 847020578 /nfs/dbraw/zinc/02/05/78/847020578.db2.gz XUIVTVPQLAHWCZ-LJQANCHMSA-N 1 3 381.511 3.775 20 0 GHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511124371 847220007 /nfs/dbraw/zinc/22/00/07/847220007.db2.gz SQCARNSNEWHAKZ-BJKOFHAPSA-N 1 3 391.559 3.679 20 0 GHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511124371 847220017 /nfs/dbraw/zinc/22/00/17/847220017.db2.gz SQCARNSNEWHAKZ-BJKOFHAPSA-N 1 3 391.559 3.679 20 0 GHADHO FC(F)(F)Oc1cccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422734487 847789578 /nfs/dbraw/zinc/78/95/78/847789578.db2.gz SKNFKZBKGKPIDM-UDTPNQRGSA-N 1 3 383.458 3.674 20 0 GHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422715265 847792051 /nfs/dbraw/zinc/79/20/51/847792051.db2.gz RVCZFSYGODMWIB-QSFXBCCZSA-N 1 3 388.353 3.576 20 0 GHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000422725809 847798664 /nfs/dbraw/zinc/79/86/64/847798664.db2.gz CJXURRWFDISMEL-HOTGVXAUSA-N 1 3 389.503 3.908 20 0 GHADHO C[C@H](CCC[NH3+])N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422797295 847827747 /nfs/dbraw/zinc/82/77/47/847827747.db2.gz LWADSKQVCPJFLN-KUHUBIRLSA-N 1 3 380.941 3.550 20 0 GHADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(C(F)(F)F)c1 ZINC000422840050 847849698 /nfs/dbraw/zinc/84/96/98/847849698.db2.gz SBLVNUYAOBOHIQ-NXWXRZEISA-N 1 3 386.458 3.610 20 0 GHADHO Clc1ccc(-c2nc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000423016490 847938652 /nfs/dbraw/zinc/93/86/52/847938652.db2.gz TVAHJSYCOSOTED-CEXWTWQISA-N 1 3 391.968 3.753 20 0 GHADHO FC(F)(F)Oc1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613310 848326855 /nfs/dbraw/zinc/32/68/55/848326855.db2.gz XTQLQNYIJXBGEV-UHFFFAOYSA-N 1 3 379.426 3.982 20 0 GHADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604166012 861913920 /nfs/dbraw/zinc/91/39/20/861913920.db2.gz SFJNTCOVXJPNIW-QFIPXVFZSA-N 1 3 386.584 3.633 20 0 GHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 ZINC000548776828 848587830 /nfs/dbraw/zinc/58/78/30/848587830.db2.gz GFJHQEOIGDWHMO-LJQANCHMSA-N 1 3 386.609 3.892 20 0 GHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 ZINC000548776828 848587837 /nfs/dbraw/zinc/58/78/37/848587837.db2.gz GFJHQEOIGDWHMO-LJQANCHMSA-N 1 3 386.609 3.892 20 0 GHADHO CC(=O)CNc1cncc(-c2ccc(C(F)(F)F)cc2)c1N1CCC([NH3+])CC1 ZINC001167632080 848602809 /nfs/dbraw/zinc/60/28/09/848602809.db2.gz NSPSNAGXYCWWET-UHFFFAOYSA-N 1 3 392.425 3.696 20 0 GHADHO CC[C@@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000525635418 848969735 /nfs/dbraw/zinc/96/97/35/848969735.db2.gz YLNPZSINDRBJIY-DEOSSOPVSA-N 1 3 393.575 3.852 20 0 GHADHO Cc1cc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079527 849027434 /nfs/dbraw/zinc/02/74/34/849027434.db2.gz YFRPLTKGUSMCLT-SJLPKXTDSA-N 1 3 380.960 3.585 20 0 GHADHO Cc1cc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079527 849027437 /nfs/dbraw/zinc/02/74/37/849027437.db2.gz YFRPLTKGUSMCLT-SJLPKXTDSA-N 1 3 380.960 3.585 20 0 GHADHO Cc1cc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079527 849027440 /nfs/dbraw/zinc/02/74/40/849027440.db2.gz YFRPLTKGUSMCLT-SJLPKXTDSA-N 1 3 380.960 3.585 20 0 GHADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000514446764 849845530 /nfs/dbraw/zinc/84/55/30/849845530.db2.gz MAHPZOJXSABQSQ-JOCHJYFZSA-N 1 3 382.552 3.631 20 0 GHADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(SCC(F)F)cc1 ZINC000423403660 849909486 /nfs/dbraw/zinc/90/94/86/849909486.db2.gz ZHGYHQAFTCOCJN-DOMZBBRYSA-N 1 3 397.457 3.531 20 0 GHADHO Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@]5(CCN(C)C5)C4)cc3)nc12 ZINC000430135274 850156275 /nfs/dbraw/zinc/15/62/75/850156275.db2.gz QMMPZCQEEJYSKF-DEOSSOPVSA-N 1 3 390.531 3.749 20 0 GHADHO Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@]5(CCN(C)C5)C4)cc3)nc12 ZINC000430135274 850156281 /nfs/dbraw/zinc/15/62/81/850156281.db2.gz QMMPZCQEEJYSKF-DEOSSOPVSA-N 1 3 390.531 3.749 20 0 GHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000486925493 850251780 /nfs/dbraw/zinc/25/17/80/850251780.db2.gz GFPHNFNXXDPYNM-FQEVSTJZSA-N 1 3 381.589 3.852 20 0 GHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424166668 850274453 /nfs/dbraw/zinc/27/44/53/850274453.db2.gz GJMCTKPETQSQIH-NQIIRXRSSA-N 1 3 386.584 3.801 20 0 GHADHO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000514831582 850364324 /nfs/dbraw/zinc/36/43/24/850364324.db2.gz DHHCQUHWGJDTKJ-QOTSGZDISA-N 1 3 393.522 3.649 20 0 GHADHO C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000514831582 850364327 /nfs/dbraw/zinc/36/43/27/850364327.db2.gz DHHCQUHWGJDTKJ-QOTSGZDISA-N 1 3 393.522 3.649 20 0 GHADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OCc1ccncc1 ZINC000435380251 850445701 /nfs/dbraw/zinc/44/57/01/850445701.db2.gz QLERIOBNMKNWJH-NRFANRHFSA-N 1 3 381.520 3.633 20 0 GHADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OCc1ccccc1 ZINC000414803362 850582940 /nfs/dbraw/zinc/58/29/40/850582940.db2.gz NRMVZUDWGGYPHF-WOJBJXKFSA-N 1 3 384.520 3.890 20 0 GHADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc(Br)c1OC(F)F ZINC000414812155 850681888 /nfs/dbraw/zinc/68/18/88/850681888.db2.gz WXULFZRVAMNRAT-DGCLKSJQSA-N 1 3 393.272 3.666 20 0 GHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000515301943 850891796 /nfs/dbraw/zinc/89/17/96/850891796.db2.gz VUSFQRYDNGAKSX-AUSIDOKSSA-N 1 3 391.559 3.794 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccco1 ZINC000487773775 850901508 /nfs/dbraw/zinc/90/15/08/850901508.db2.gz YWDYUVIUCNPIOM-FXAWDEMLSA-N 1 3 390.572 3.663 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434351799 851005649 /nfs/dbraw/zinc/00/56/49/851005649.db2.gz DIRMJIPCYOFFNE-SIKLNZKXSA-N 1 3 390.616 3.689 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434351799 851005660 /nfs/dbraw/zinc/00/56/60/851005660.db2.gz DIRMJIPCYOFFNE-SIKLNZKXSA-N 1 3 390.616 3.689 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000434355028 851026212 /nfs/dbraw/zinc/02/62/12/851026212.db2.gz LQYSLUFIBPWVQX-OIBXWCBGSA-N 1 3 398.595 3.698 20 0 GHADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000434355028 851026217 /nfs/dbraw/zinc/02/62/17/851026217.db2.gz LQYSLUFIBPWVQX-OIBXWCBGSA-N 1 3 398.595 3.698 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)N(C)C)cc1 ZINC000514013051 851119313 /nfs/dbraw/zinc/11/93/13/851119313.db2.gz JKBZOQAPKPXCMT-HSZRJFAPSA-N 1 3 394.563 3.693 20 0 GHADHO C[C@@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000162945814 862222109 /nfs/dbraw/zinc/22/21/09/862222109.db2.gz PXUKUHLGCMVSRE-UZLBHIALSA-N 1 3 396.453 3.728 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)N(C)C)cc1 ZINC000514126896 851266783 /nfs/dbraw/zinc/26/67/83/851266783.db2.gz NGZBYBSHKLOFEM-SJBKTWHCSA-N 1 3 388.600 3.655 20 0 GHADHO CCOc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OCC(C)C ZINC000415118847 851353705 /nfs/dbraw/zinc/35/37/05/851353705.db2.gz DPVVFQHBTBHTLL-IFMALSPDSA-N 1 3 390.568 3.838 20 0 GHADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167974214 851676601 /nfs/dbraw/zinc/67/66/01/851676601.db2.gz REUDLHQBGKHZSU-VNVJMFPYSA-N 1 3 377.573 3.627 20 0 GHADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974214 851676608 /nfs/dbraw/zinc/67/66/08/851676608.db2.gz REUDLHQBGKHZSU-VNVJMFPYSA-N 1 3 377.573 3.627 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000517540597 852070123 /nfs/dbraw/zinc/07/01/23/852070123.db2.gz GCORIIQIDXETMG-NZQKXSOJSA-N 1 3 394.563 3.595 20 0 GHADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000517544778 852100923 /nfs/dbraw/zinc/10/09/23/852100923.db2.gz PDMGCSNKZCUFCX-KNQAVFIVSA-N 1 3 386.584 3.584 20 0 GHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000517544778 852100931 /nfs/dbraw/zinc/10/09/31/852100931.db2.gz PDMGCSNKZCUFCX-KNQAVFIVSA-N 1 3 386.584 3.584 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@@H](C(C)C)CC3)CC2)CC1 ZINC000570460383 852364347 /nfs/dbraw/zinc/36/43/47/852364347.db2.gz SVDFUWRKPQHQBF-CTNGQTDRSA-N 1 3 377.617 3.904 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000505914482 852569217 /nfs/dbraw/zinc/56/92/17/852569217.db2.gz ZLEGPSAVAQUAOE-MZYLBHOOSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000505914482 852569225 /nfs/dbraw/zinc/56/92/25/852569225.db2.gz ZLEGPSAVAQUAOE-MZYLBHOOSA-N 1 3 383.580 3.764 20 0 GHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H]1CCCOC1 ZINC000507473615 852947024 /nfs/dbraw/zinc/94/70/24/852947024.db2.gz VQVKNFKGKUQFPF-QPPBQGQZSA-N 1 3 393.575 3.914 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3OCC(C)C)CC2)CC1 ZINC000516978989 853220300 /nfs/dbraw/zinc/22/03/00/853220300.db2.gz JHXHSRUAUILISX-UHFFFAOYSA-N 1 3 387.568 3.856 20 0 GHADHO C[C@@H](C(=O)NCCc1ccccc1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491028328 853407152 /nfs/dbraw/zinc/40/71/52/853407152.db2.gz OOBVAODHALDHFP-NRFANRHFSA-N 1 3 393.575 3.578 20 0 GHADHO C[C@@H](C(=O)NCCc1ccccc1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491028328 853407158 /nfs/dbraw/zinc/40/71/58/853407158.db2.gz OOBVAODHALDHFP-NRFANRHFSA-N 1 3 393.575 3.578 20 0 GHADHO C[NH+](C)CCOc1ccc(CCN[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000491029738 853409149 /nfs/dbraw/zinc/40/91/49/853409149.db2.gz JZYVUAUPDHATCH-XMMPIXPASA-N 1 3 375.516 3.944 20 0 GHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754597 853463363 /nfs/dbraw/zinc/46/33/63/853463363.db2.gz WRXNIFSDMAASRD-ROUUACIJSA-N 1 3 385.577 3.952 20 0 GHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754597 853463369 /nfs/dbraw/zinc/46/33/69/853463369.db2.gz WRXNIFSDMAASRD-ROUUACIJSA-N 1 3 385.577 3.952 20 0 GHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754597 853463373 /nfs/dbraw/zinc/46/33/73/853463373.db2.gz WRXNIFSDMAASRD-ROUUACIJSA-N 1 3 385.577 3.952 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000437780558 853502787 /nfs/dbraw/zinc/50/27/87/853502787.db2.gz VSFZRUAFAXSMBU-FDFHNCONSA-N 1 3 384.568 3.528 20 0 GHADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000437780558 853502790 /nfs/dbraw/zinc/50/27/90/853502790.db2.gz VSFZRUAFAXSMBU-FDFHNCONSA-N 1 3 384.568 3.528 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)N(C)C)cc1 ZINC000520108722 853851735 /nfs/dbraw/zinc/85/17/35/853851735.db2.gz TXENBHPEDWVNAY-JTHBVZDNSA-N 1 3 397.538 3.765 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)N(C)C)cc1 ZINC000520108722 853851741 /nfs/dbraw/zinc/85/17/41/853851741.db2.gz TXENBHPEDWVNAY-JTHBVZDNSA-N 1 3 397.538 3.765 20 0 GHADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000520130123 853864055 /nfs/dbraw/zinc/86/40/55/853864055.db2.gz ZRXGFWSBJIGWLL-SFHVURJKSA-N 1 3 394.991 3.535 20 0 GHADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000571789559 854156132 /nfs/dbraw/zinc/15/61/32/854156132.db2.gz RIAUZCJGKLLFGU-BBWFWOEESA-N 1 3 394.357 3.596 20 0 GHADHO CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H]1c1ccccc1 ZINC000536263659 854166112 /nfs/dbraw/zinc/16/61/12/854166112.db2.gz LKZKTJKKSWRSMC-PUHATCMVSA-N 1 3 395.522 3.599 20 0 GHADHO CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H]1c1ccccc1 ZINC000536263659 854166117 /nfs/dbraw/zinc/16/61/17/854166117.db2.gz LKZKTJKKSWRSMC-PUHATCMVSA-N 1 3 395.522 3.599 20 0 GHADHO Cc1ccc2cc(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)ccc2n1 ZINC000189427349 855091942 /nfs/dbraw/zinc/09/19/42/855091942.db2.gz WZEUNMSRKXKMEU-QHCPKHFHSA-N 1 3 375.516 3.790 20 0 GHADHO Cc1ccc2cc(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)ccc2n1 ZINC000189427349 855091949 /nfs/dbraw/zinc/09/19/49/855091949.db2.gz WZEUNMSRKXKMEU-QHCPKHFHSA-N 1 3 375.516 3.790 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000590147018 855298057 /nfs/dbraw/zinc/29/80/57/855298057.db2.gz CUKPFCFJSSBFSZ-IRLDBZIGSA-N 1 3 386.584 3.777 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000590147018 855298059 /nfs/dbraw/zinc/29/80/59/855298059.db2.gz CUKPFCFJSSBFSZ-IRLDBZIGSA-N 1 3 386.584 3.777 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190583650 855461720 /nfs/dbraw/zinc/46/17/20/855461720.db2.gz ZPKWNQVCOGAYDM-QGZVFWFLSA-N 1 3 386.403 3.579 20 0 GHADHO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000542727939 855576406 /nfs/dbraw/zinc/57/64/06/855576406.db2.gz MPQGZPLUDBBDGT-XMMPIXPASA-N 1 3 387.527 3.601 20 0 GHADHO CN(C[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001168004236 855752512 /nfs/dbraw/zinc/75/25/12/855752512.db2.gz RTKYAXXANOEPKW-WRURNZQNSA-N 1 3 377.573 3.581 20 0 GHADHO CN(C[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001168004236 855752517 /nfs/dbraw/zinc/75/25/17/855752517.db2.gz RTKYAXXANOEPKW-WRURNZQNSA-N 1 3 377.573 3.581 20 0 GHADHO CCCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000520610127 855787278 /nfs/dbraw/zinc/78/72/78/855787278.db2.gz VQOAHBWIZWRGRS-UGKGYDQZSA-N 1 3 386.584 3.555 20 0 GHADHO CCCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000520610127 855787289 /nfs/dbraw/zinc/78/72/89/855787289.db2.gz VQOAHBWIZWRGRS-UGKGYDQZSA-N 1 3 386.584 3.555 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000520620353 855806982 /nfs/dbraw/zinc/80/69/82/855806982.db2.gz ZLVUTSUBGARQFS-XZOQPEGZSA-N 1 3 398.595 3.792 20 0 GHADHO Brc1cccc(-c2cnc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573447650 856130729 /nfs/dbraw/zinc/13/07/29/856130729.db2.gz DQWKZTNLMHLILK-CVEARBPZSA-N 1 3 390.325 3.926 20 0 GHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000499513165 857085377 /nfs/dbraw/zinc/08/53/77/857085377.db2.gz IRZWOGKFAOLYKY-KRWDZBQOSA-N 1 3 377.916 3.574 20 0 GHADHO O[C@@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391795 857444751 /nfs/dbraw/zinc/44/47/51/857444751.db2.gz CWMMGRZZBDTQQC-UXHICEINSA-N 1 3 388.939 3.582 20 0 GHADHO O[C@@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391795 857444756 /nfs/dbraw/zinc/44/47/56/857444756.db2.gz CWMMGRZZBDTQQC-UXHICEINSA-N 1 3 388.939 3.582 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672555557 857464950 /nfs/dbraw/zinc/46/49/50/857464950.db2.gz LOBVYZQNVWMFLU-XUVXKRRUSA-N 1 3 392.975 3.649 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672555557 857464955 /nfs/dbraw/zinc/46/49/55/857464955.db2.gz LOBVYZQNVWMFLU-XUVXKRRUSA-N 1 3 392.975 3.649 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000486225183 857553544 /nfs/dbraw/zinc/55/35/44/857553544.db2.gz BQGOWEDTFORRML-IFMALSPDSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000486225183 857553546 /nfs/dbraw/zinc/55/35/46/857553546.db2.gz BQGOWEDTFORRML-IFMALSPDSA-N 1 3 398.595 3.699 20 0 GHADHO C[C@@H](N[C@@H](C)c1cc2c(cc1Br)OCCO2)C1CC[NH+](C)CC1 ZINC000675777468 857607643 /nfs/dbraw/zinc/60/76/43/857607643.db2.gz IGKUWWPHBPGFAZ-OLZOCXBDSA-N 1 3 383.330 3.601 20 0 GHADHO CCOc1cc2nccc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)c2cc1OCC ZINC000486487142 857771675 /nfs/dbraw/zinc/77/16/75/857771675.db2.gz LEUQMAUYUJFQDV-QGZVFWFLSA-N 1 3 399.535 3.722 20 0 GHADHO CCOc1cc2nccc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)c2cc1OCC ZINC000486487142 857771678 /nfs/dbraw/zinc/77/16/78/857771678.db2.gz LEUQMAUYUJFQDV-QGZVFWFLSA-N 1 3 399.535 3.722 20 0 GHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000672884655 857817274 /nfs/dbraw/zinc/81/72/74/857817274.db2.gz QVMPFVWDQMKBGD-XMSQKQJNSA-N 1 3 388.600 3.517 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466032470 857925942 /nfs/dbraw/zinc/92/59/42/857925942.db2.gz AOMIAUQWYRTBBV-KSEOMHKRSA-N 1 3 386.584 3.555 20 0 GHADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466032470 857925950 /nfs/dbraw/zinc/92/59/50/857925950.db2.gz AOMIAUQWYRTBBV-KSEOMHKRSA-N 1 3 386.584 3.555 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000442707885 858065332 /nfs/dbraw/zinc/06/53/32/858065332.db2.gz HSEXMUDKGODFIY-OAQYLSRUSA-N 1 3 388.559 3.562 20 0 GHADHO CN1CCN(CC[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1(C)C ZINC000442869554 858188018 /nfs/dbraw/zinc/18/80/18/858188018.db2.gz BWBSBGSROURHDN-NRFANRHFSA-N 1 3 386.971 3.634 20 0 GHADHO COC(=O)c1cc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)c(C)o1 ZINC000594607767 858240598 /nfs/dbraw/zinc/24/05/98/858240598.db2.gz FDONWAHFVMOKOA-UHFFFAOYSA-N 1 3 382.460 3.889 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000521991180 858514420 /nfs/dbraw/zinc/51/44/20/858514420.db2.gz RRSLCGGJAPSYQH-RBBKRZOGSA-N 1 3 386.584 3.696 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000521991180 858514426 /nfs/dbraw/zinc/51/44/26/858514426.db2.gz RRSLCGGJAPSYQH-RBBKRZOGSA-N 1 3 386.584 3.696 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@H](C)O1 ZINC000067452574 858574597 /nfs/dbraw/zinc/57/45/97/858574597.db2.gz LTRUXZYRWCEDRU-QZTJIDSGSA-N 1 3 396.535 3.812 20 0 GHADHO CSCc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000922184866 858727989 /nfs/dbraw/zinc/72/79/89/858727989.db2.gz RYKJBIONPWJNEJ-UHFFFAOYSA-N 1 3 397.588 3.537 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466292452 859009175 /nfs/dbraw/zinc/00/91/75/859009175.db2.gz ANXQKTVIPPYQIO-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466292452 859009181 /nfs/dbraw/zinc/00/91/81/859009181.db2.gz ANXQKTVIPPYQIO-NFBKMPQASA-N 1 3 398.595 3.557 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C2CCN([C@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000483133946 859172067 /nfs/dbraw/zinc/17/20/67/859172067.db2.gz JXORRTSHPZYFLW-LGVFNWMJSA-N 1 3 387.612 3.939 20 0 GHADHO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)N(C)Cc1ccccc1 ZINC000550571368 859299090 /nfs/dbraw/zinc/29/90/90/859299090.db2.gz VIPAQRLRIILAIK-KBAYOESNSA-N 1 3 399.501 3.532 20 0 GHADHO C[C@H](CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)N(C)Cc1ccccc1 ZINC000550571368 859299103 /nfs/dbraw/zinc/29/91/03/859299103.db2.gz VIPAQRLRIILAIK-KBAYOESNSA-N 1 3 399.501 3.532 20 0 GHADHO COc1cccc(COCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000499187109 881405541 /nfs/dbraw/zinc/40/55/41/881405541.db2.gz DEAGPOZJJXSUGX-WBDAEOGXSA-N 1 3 380.532 3.997 20 0 GHADHO COc1cccc(COCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499187109 881405549 /nfs/dbraw/zinc/40/55/49/881405549.db2.gz DEAGPOZJJXSUGX-WBDAEOGXSA-N 1 3 380.532 3.997 20 0 GHADHO CCc1ccc([C@H](CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)N(C)C)cc1 ZINC000582202476 859387394 /nfs/dbraw/zinc/38/73/94/859387394.db2.gz MBXKPIPJZHHLGX-QFIPXVFZSA-N 1 3 398.551 3.614 20 0 GHADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746978 859466910 /nfs/dbraw/zinc/46/69/10/859466910.db2.gz BNPHCNMKHZCNQZ-MRXNPFEDSA-N 1 3 381.476 3.859 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000543394041 859542752 /nfs/dbraw/zinc/54/27/52/859542752.db2.gz MZBVSGKOBMZABE-HOTGVXAUSA-N 1 3 381.948 3.920 20 0 GHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000543394041 859542757 /nfs/dbraw/zinc/54/27/57/859542757.db2.gz MZBVSGKOBMZABE-HOTGVXAUSA-N 1 3 381.948 3.920 20 0 GHADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390507 859886452 /nfs/dbraw/zinc/88/64/52/859886452.db2.gz NJQNSFPUUNBERD-SCPDWHHUSA-N 1 3 399.510 3.582 20 0 GHADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390507 859886462 /nfs/dbraw/zinc/88/64/62/859886462.db2.gz NJQNSFPUUNBERD-SCPDWHHUSA-N 1 3 399.510 3.582 20 0 GHADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000155323256 860480693 /nfs/dbraw/zinc/48/06/93/860480693.db2.gz IVRWSHHPHBDRLY-FGZHOGPDSA-N 1 3 386.584 3.512 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000904515088 860486260 /nfs/dbraw/zinc/48/62/60/860486260.db2.gz IDXSSDSSHAXWAW-NWSQWKLXSA-N 1 3 390.531 3.712 20 0 GHADHO O=C(Nc1ccc2c(c1)CNC2)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000904515088 860486265 /nfs/dbraw/zinc/48/62/65/860486265.db2.gz IDXSSDSSHAXWAW-NWSQWKLXSA-N 1 3 390.531 3.712 20 0 GHADHO CN(CCC[NH+]1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168556257 860605638 /nfs/dbraw/zinc/60/56/38/860605638.db2.gz AOCPWKCVMAQPRC-JKSUJKDBSA-N 1 3 393.494 3.735 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCOc3ccccc3)C2)ccn1 ZINC000856600056 881574163 /nfs/dbraw/zinc/57/41/63/881574163.db2.gz VVDCFORBRRGERN-HSZRJFAPSA-N 1 3 383.536 3.844 20 0 GHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCOc3ccccc3)C2)ccn1 ZINC000856600056 881574178 /nfs/dbraw/zinc/57/41/78/881574178.db2.gz VVDCFORBRRGERN-HSZRJFAPSA-N 1 3 383.536 3.844 20 0 GHADHO COc1ccc(CC[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856600382 881576046 /nfs/dbraw/zinc/57/60/46/881576046.db2.gz ZAVRUOGGVDLEPE-QHCPKHFHSA-N 1 3 383.536 3.626 20 0 GHADHO COc1ccc(CC[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 ZINC000856600382 881576054 /nfs/dbraw/zinc/57/60/54/881576054.db2.gz ZAVRUOGGVDLEPE-QHCPKHFHSA-N 1 3 383.536 3.626 20 0 GHADHO CCCC[N@H+](C)CC1CCN(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1 ZINC000114475870 881585490 /nfs/dbraw/zinc/58/54/90/881585490.db2.gz BILSIYJLGGYEAD-UHFFFAOYSA-N 1 3 399.535 3.695 20 0 GHADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1 ZINC000114475870 881585494 /nfs/dbraw/zinc/58/54/94/881585494.db2.gz BILSIYJLGGYEAD-UHFFFAOYSA-N 1 3 399.535 3.695 20 0 GHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000481328980 861077672 /nfs/dbraw/zinc/07/76/72/861077672.db2.gz WFEZYCDKAJHBEH-RTBURBONSA-N 1 3 378.520 3.906 20 0 GHADHO Cn1c(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000176984243 861118832 /nfs/dbraw/zinc/11/88/32/861118832.db2.gz QXDUQCLQYCYCDU-UHFFFAOYSA-N 1 3 392.547 3.734 20 0 GHADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000444173510 863590841 /nfs/dbraw/zinc/59/08/41/863590841.db2.gz ZYVINEUZQIVMEA-QGZVFWFLSA-N 1 3 382.346 3.584 20 0 GHADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000444173510 863590851 /nfs/dbraw/zinc/59/08/51/863590851.db2.gz ZYVINEUZQIVMEA-QGZVFWFLSA-N 1 3 382.346 3.584 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606623173 863741058 /nfs/dbraw/zinc/74/10/58/863741058.db2.gz BJGMAVWHZKRQLD-LJQANCHMSA-N 1 3 390.597 3.545 20 0 GHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606623173 863741067 /nfs/dbraw/zinc/74/10/67/863741067.db2.gz BJGMAVWHZKRQLD-LJQANCHMSA-N 1 3 390.597 3.545 20 0 GHADHO CCN(C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159069586 864023330 /nfs/dbraw/zinc/02/33/30/864023330.db2.gz CKSMFEDLJBXCDB-HSZRJFAPSA-N 1 3 394.563 3.554 20 0 GHADHO CCSc1ccc([C@H](C)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000475134984 864271330 /nfs/dbraw/zinc/27/13/30/864271330.db2.gz DRRHJVUCYWWHHA-UWJYYQICSA-N 1 3 385.577 3.868 20 0 GHADHO CCSc1ccc([C@@H](C)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000475134980 864271781 /nfs/dbraw/zinc/27/17/81/864271781.db2.gz DRRHJVUCYWWHHA-DYESRHJHSA-N 1 3 385.577 3.868 20 0 GHADHO CCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475171952 864394230 /nfs/dbraw/zinc/39/42/30/864394230.db2.gz GFYGJWGXFVARMJ-IRLDBZIGSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414926206 864541562 /nfs/dbraw/zinc/54/15/62/864541562.db2.gz MYTRSLWPNSPMPV-IJLUTSLNSA-N 1 3 377.838 3.935 20 0 GHADHO CC(C)N(C)c1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000480360402 864548806 /nfs/dbraw/zinc/54/88/06/864548806.db2.gz UIWDOKFSVOLYRN-UHFFFAOYSA-N 1 3 382.552 3.691 20 0 GHADHO CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475277906 864683638 /nfs/dbraw/zinc/68/36/38/864683638.db2.gz ZJFXBQNCSSQNJY-HSZRJFAPSA-N 1 3 398.595 3.699 20 0 GHADHO Cc1nc2ccc(Br)cc2c(NCC2CC[NH+](CCO)CC2)c1C ZINC000301395837 865335553 /nfs/dbraw/zinc/33/55/53/865335553.db2.gz FPWJMHDFTVTHON-UHFFFAOYSA-N 1 3 392.341 3.730 20 0 GHADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000534020236 865988916 /nfs/dbraw/zinc/98/89/16/865988916.db2.gz MTAPHTJLRARJEH-PKTZIBPZSA-N 1 3 395.547 3.582 20 0 GHADHO CCOc1cccc([C@@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000840889118 866184589 /nfs/dbraw/zinc/18/45/89/866184589.db2.gz OOWVHJFKIQVDDK-GOSISDBHSA-N 1 3 395.547 3.633 20 0 GHADHO CCOc1ccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OCC ZINC000534349948 866597412 /nfs/dbraw/zinc/59/74/12/866597412.db2.gz JPECYVZKFHZKPG-OALUTQOASA-N 1 3 390.568 3.805 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553143619 866874256 /nfs/dbraw/zinc/87/42/56/866874256.db2.gz QCHHXGPHKKCSJP-URXFXBBRSA-N 1 3 391.559 3.632 20 0 GHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553143619 866874263 /nfs/dbraw/zinc/87/42/63/866874263.db2.gz QCHHXGPHKKCSJP-URXFXBBRSA-N 1 3 391.559 3.632 20 0 GHADHO CN1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@H]1c1ccccc1 ZINC000857165781 882072496 /nfs/dbraw/zinc/07/24/96/882072496.db2.gz ZKYQKOJNRIZBHV-YTFSRNRJSA-N 1 3 377.532 3.671 20 0 GHADHO CN1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@H]1c1ccccc1 ZINC000857165781 882072476 /nfs/dbraw/zinc/07/24/76/882072476.db2.gz ZKYQKOJNRIZBHV-YTFSRNRJSA-N 1 3 377.532 3.671 20 0 GHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000154306876 867346859 /nfs/dbraw/zinc/34/68/59/867346859.db2.gz COTSSXSTQCEISC-AWEZNQCLSA-N 1 3 375.891 3.620 20 0 GHADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc(N(C)C)nc3ccccc23)[C@H](C)C1 ZINC000154459494 867414128 /nfs/dbraw/zinc/41/41/28/867414128.db2.gz QCKQWVCBQBGDGV-NQIIRXRSSA-N 1 3 384.568 3.527 20 0 GHADHO CCOCCC[N@H+]1CC[C@H](NCc2cc(N(C)C)nc3ccccc23)[C@H](C)C1 ZINC000154459494 867414134 /nfs/dbraw/zinc/41/41/34/867414134.db2.gz QCKQWVCBQBGDGV-NQIIRXRSSA-N 1 3 384.568 3.527 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479355520 867600590 /nfs/dbraw/zinc/60/05/90/867600590.db2.gz CZGFIZCYARZPRV-IFXJQAMLSA-N 1 3 398.364 3.655 20 0 GHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000155627588 867989365 /nfs/dbraw/zinc/98/93/65/867989365.db2.gz LQEVWXDBNZOTHH-WMLDXEAASA-N 1 3 386.367 3.823 20 0 GHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156068229 868239962 /nfs/dbraw/zinc/23/99/62/868239962.db2.gz RIVYHVKZYXFKLS-UHFFFAOYSA-N 1 3 383.561 3.858 20 0 GHADHO Fc1ccc([C@H](NCC2CC[NH+](Cc3ccccc3)CC2)c2c[nH]nn2)cc1 ZINC000671105692 868510688 /nfs/dbraw/zinc/51/06/88/868510688.db2.gz TXHGMKIGKMVIFQ-QFIPXVFZSA-N 1 3 379.483 3.535 20 0 GHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccco1 ZINC000479790047 868528106 /nfs/dbraw/zinc/52/81/06/868528106.db2.gz QNOWVJPBDTVABP-TYPHKJRUSA-N 1 3 398.551 3.845 20 0 GHADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)N(C)C)c1 ZINC000479864483 868660888 /nfs/dbraw/zinc/66/08/88/868660888.db2.gz ULABXXWRZPTUPK-IGKWTDBASA-N 1 3 381.564 3.798 20 0 GHADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)c1 ZINC000479864483 868660893 /nfs/dbraw/zinc/66/08/93/868660893.db2.gz ULABXXWRZPTUPK-IGKWTDBASA-N 1 3 381.564 3.798 20 0 GHADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)c1 ZINC000479864483 868660897 /nfs/dbraw/zinc/66/08/97/868660897.db2.gz ULABXXWRZPTUPK-IGKWTDBASA-N 1 3 381.564 3.798 20 0 GHADHO CCc1ccc(-c2ccc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)o2)cc1 ZINC000539823128 869855049 /nfs/dbraw/zinc/85/50/49/869855049.db2.gz RMBYZQRUNLHLDD-CVDCTZTESA-N 1 3 381.564 3.967 20 0 GHADHO CCc1ccc(-c2ccc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)o2)cc1 ZINC000539823128 869855061 /nfs/dbraw/zinc/85/50/61/869855061.db2.gz RMBYZQRUNLHLDD-CVDCTZTESA-N 1 3 381.564 3.967 20 0 GHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000525107181 869988148 /nfs/dbraw/zinc/98/81/48/869988148.db2.gz OUQHFKOCQPRHSO-QTEQDKRBSA-N 1 3 385.596 3.518 20 0 GHADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000525107181 869988153 /nfs/dbraw/zinc/98/81/53/869988153.db2.gz OUQHFKOCQPRHSO-QTEQDKRBSA-N 1 3 385.596 3.518 20 0 GHADHO Cc1cccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1C ZINC000248172064 870309075 /nfs/dbraw/zinc/30/90/75/870309075.db2.gz UYIBRSPJGONKMK-DENIHFKCSA-N 1 3 379.548 3.852 20 0 GHADHO Cc1cccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1C ZINC000248172064 870309082 /nfs/dbraw/zinc/30/90/82/870309082.db2.gz UYIBRSPJGONKMK-DENIHFKCSA-N 1 3 379.548 3.852 20 0 GHADHO FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000248392869 870361947 /nfs/dbraw/zinc/36/19/47/870361947.db2.gz DKXMGSYVPHYRFY-MXEMCNAFSA-N 1 3 395.513 3.761 20 0 GHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000248395691 870366656 /nfs/dbraw/zinc/36/66/56/870366656.db2.gz GOZVEDZKEIETSS-BJESRGMDSA-N 1 3 376.548 3.551 20 0 GHADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000248395691 870366679 /nfs/dbraw/zinc/36/66/79/870366679.db2.gz GOZVEDZKEIETSS-BJESRGMDSA-N 1 3 376.548 3.551 20 0 GHADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000248395691 870366696 /nfs/dbraw/zinc/36/66/96/870366696.db2.gz GOZVEDZKEIETSS-BJESRGMDSA-N 1 3 376.548 3.551 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000525392528 870600692 /nfs/dbraw/zinc/60/06/92/870600692.db2.gz NPQIFBGXYFHCKT-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000525392528 870600701 /nfs/dbraw/zinc/60/07/01/870600701.db2.gz NPQIFBGXYFHCKT-RBBKRZOGSA-N 1 3 386.584 3.557 20 0 GHADHO C[C@H](CCc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000540170978 870655656 /nfs/dbraw/zinc/65/56/56/870655656.db2.gz ODFUDIBJEAWYSR-LJQANCHMSA-N 1 3 397.538 3.762 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)N2CCCC2)o1 ZINC000060354893 882434742 /nfs/dbraw/zinc/43/47/42/882434742.db2.gz UFBLWTIFMUVSMQ-NHCUHLMSSA-N 1 3 381.520 3.506 20 0 GHADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)N2CCCC2)o1 ZINC000060354893 882434751 /nfs/dbraw/zinc/43/47/51/882434751.db2.gz UFBLWTIFMUVSMQ-NHCUHLMSSA-N 1 3 381.520 3.506 20 0 GHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000539053415 871184205 /nfs/dbraw/zinc/18/42/05/871184205.db2.gz PWBPJKPVTWMBTA-SJLPKXTDSA-N 1 3 393.453 3.979 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000539053415 871184212 /nfs/dbraw/zinc/18/42/12/871184212.db2.gz PWBPJKPVTWMBTA-SJLPKXTDSA-N 1 3 393.453 3.979 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC001193648667 871214669 /nfs/dbraw/zinc/21/46/69/871214669.db2.gz HSNUSUXUHLANCW-NQIIRXRSSA-N 1 3 390.568 3.869 20 0 GHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(Br)cc1C(F)(F)F ZINC000539066638 871241518 /nfs/dbraw/zinc/24/15/18/871241518.db2.gz PIYUMUFFZDGGSH-BXUZGUMPSA-N 1 3 395.263 3.777 20 0 GHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(Br)cc1C(F)(F)F ZINC000539066638 871241533 /nfs/dbraw/zinc/24/15/33/871241533.db2.gz PIYUMUFFZDGGSH-BXUZGUMPSA-N 1 3 395.263 3.777 20 0 GHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C[C@H](C)O1 ZINC000539072831 871258958 /nfs/dbraw/zinc/25/89/58/871258958.db2.gz VBAPBLUJMUGQSE-GQIGUUNPSA-N 1 3 395.385 3.785 20 0 GHADHO CCN1CC[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191497540 882492088 /nfs/dbraw/zinc/49/20/88/882492088.db2.gz OJSYAAYWXHOVAL-HNAYVOBHSA-N 1 3 381.358 3.848 20 0 GHADHO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539148481 871431816 /nfs/dbraw/zinc/43/18/16/871431816.db2.gz OLWRBUXEKFWQMJ-IXDOHACOSA-N 1 3 382.495 3.616 20 0 GHADHO CCCN1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1 ZINC000462114806 871639831 /nfs/dbraw/zinc/63/98/31/871639831.db2.gz ZANMFEUGLMGGJN-NRFANRHFSA-N 1 3 394.003 3.956 20 0 GHADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001169683634 871751792 /nfs/dbraw/zinc/75/17/92/871751792.db2.gz BHUZTXWCZUMBDS-QGZVFWFLSA-N 1 3 381.524 3.765 20 0 GHADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000643522081 871849894 /nfs/dbraw/zinc/84/98/94/871849894.db2.gz HMPZULBKXRIZSX-WCQYABFASA-N 1 3 377.838 3.808 20 0 GHADHO C[NH+](C)CCOCCN[C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000447598883 871912436 /nfs/dbraw/zinc/91/24/36/871912436.db2.gz WGNXUPJQHPIPEK-INIZCTEOSA-N 1 3 375.738 3.721 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@H](O)c2ccccc2)CC1 ZINC000763515693 872231637 /nfs/dbraw/zinc/23/16/37/872231637.db2.gz FVADFYBGWOEKNN-RDPSFJRHSA-N 1 3 381.564 3.820 20 0 GHADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030925 872382406 /nfs/dbraw/zinc/38/24/06/872382406.db2.gz YKZZFQJSEFDODS-UXHICEINSA-N 1 3 379.548 3.819 20 0 GHADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030925 872382425 /nfs/dbraw/zinc/38/24/25/872382425.db2.gz YKZZFQJSEFDODS-UXHICEINSA-N 1 3 379.548 3.819 20 0 GHADHO CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000667288504 872443640 /nfs/dbraw/zinc/44/36/40/872443640.db2.gz MZQHWXMFGCWJHA-SFHVURJKSA-N 1 3 390.597 3.869 20 0 GHADHO CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000667288503 872443698 /nfs/dbraw/zinc/44/36/98/872443698.db2.gz MZQHWXMFGCWJHA-GOSISDBHSA-N 1 3 390.597 3.869 20 0 GHADHO C[C@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000093844242 872449218 /nfs/dbraw/zinc/44/92/18/872449218.db2.gz IHVLGHIWCPAATH-OALUTQOASA-N 1 3 382.552 3.788 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](c2cccs2)N(C)C)CC1 ZINC000236801553 882614934 /nfs/dbraw/zinc/61/49/34/882614934.db2.gz NDZAIBYNGLEDLH-NRFANRHFSA-N 1 3 386.609 3.673 20 0 GHADHO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000122885501 882699182 /nfs/dbraw/zinc/69/91/82/882699182.db2.gz DVXZSJVEFHJHCK-SFHVURJKSA-N 1 3 387.568 3.720 20 0 GHADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183099858 873229934 /nfs/dbraw/zinc/22/99/34/873229934.db2.gz IWOQUABQHVTPOL-GBESFXJTSA-N 1 3 379.589 3.876 20 0 GHADHO CC(C)C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000460482601 882701497 /nfs/dbraw/zinc/70/14/97/882701497.db2.gz GUMLFKARJBMOPH-JOCHJYFZSA-N 1 3 385.596 3.883 20 0 GHADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001196788429 873361330 /nfs/dbraw/zinc/36/13/30/873361330.db2.gz AMTVZVYBAOJUPW-VQTJNVASSA-N 1 3 397.607 3.939 20 0 GHADHO CC(C)CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)CC1CC[NH+](C)CC1 ZINC001197194700 873644399 /nfs/dbraw/zinc/64/43/99/873644399.db2.gz SRMMJZNOYOWIKO-UHFFFAOYSA-N 1 3 385.474 3.944 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011430 873733353 /nfs/dbraw/zinc/73/33/53/873733353.db2.gz AWQJZWDBFNAQGK-FXAWDEMLSA-N 1 3 394.991 3.706 20 0 GHADHO CCCN(C)[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011430 873733360 /nfs/dbraw/zinc/73/33/60/873733360.db2.gz AWQJZWDBFNAQGK-FXAWDEMLSA-N 1 3 394.991 3.706 20 0 GHADHO Cc1cncc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000550881752 882760808 /nfs/dbraw/zinc/76/08/08/882760808.db2.gz CGPPVZXKUCYRNE-REWPJTCUSA-N 1 3 379.548 3.969 20 0 GHADHO Cc1cc(N2CCC(C)(N3CCOCC3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000528189596 874183797 /nfs/dbraw/zinc/18/37/97/874183797.db2.gz MPQLORLSTSYUBU-UHFFFAOYSA-N 1 3 391.462 3.836 20 0 GHADHO CC(C)[C@@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)N1CCCCC1 ZINC000104287594 874270953 /nfs/dbraw/zinc/27/09/53/874270953.db2.gz OQVBGPHTDHQGGO-QFIPXVFZSA-N 1 3 386.584 3.666 20 0 GHADHO C[C@@H](CNC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122331 874505190 /nfs/dbraw/zinc/50/51/90/874505190.db2.gz KYHVQINRPFOJST-GHTZIAJQSA-N 1 3 392.609 3.828 20 0 GHADHO C[C@@H](CNC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122331 874505200 /nfs/dbraw/zinc/50/52/00/874505200.db2.gz KYHVQINRPFOJST-GHTZIAJQSA-N 1 3 392.609 3.828 20 0 GHADHO C[NH+]1C(C)(C)CC(Nc2nc(CN)ccc2NC(=O)C(C)(C)C)CC1(C)C ZINC001170453565 882956254 /nfs/dbraw/zinc/95/62/54/882956254.db2.gz NUWRLMMRWHCUHF-UHFFFAOYSA-N 1 3 375.561 3.588 20 0 GHADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CN(C)C ZINC000491549698 875792346 /nfs/dbraw/zinc/79/23/46/875792346.db2.gz WDSDGBDSRYDFHU-NEPJUHHUSA-N 1 3 379.854 3.863 20 0 GHADHO C[C@H](CN[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C[NH+](C)C ZINC000491549698 875792357 /nfs/dbraw/zinc/79/23/57/875792357.db2.gz WDSDGBDSRYDFHU-NEPJUHHUSA-N 1 3 379.854 3.863 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000785504818 876078486 /nfs/dbraw/zinc/07/84/86/876078486.db2.gz XWFKAZGOJZBBPA-NVXWUHKLSA-N 1 3 391.357 3.573 20 0 GHADHO C[C@@H]1C[C@@H](CCNCc2cc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000785504818 876078496 /nfs/dbraw/zinc/07/84/96/876078496.db2.gz XWFKAZGOJZBBPA-NVXWUHKLSA-N 1 3 391.357 3.573 20 0 GHADHO CCc1ccc2nccc(N3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)c2c1 ZINC000450271207 876197213 /nfs/dbraw/zinc/19/72/13/876197213.db2.gz XCIDDOMBKRGNKW-UHFFFAOYSA-N 1 3 396.579 3.718 20 0 GHADHO Cc1cc(C)c(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000108421012 876466980 /nfs/dbraw/zinc/46/69/80/876466980.db2.gz XYZBZBUJTNVFGQ-JOCHJYFZSA-N 1 3 379.548 3.599 20 0 GHADHO Cc1cc(C)c(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000108421012 876466990 /nfs/dbraw/zinc/46/69/90/876466990.db2.gz XYZBZBUJTNVFGQ-JOCHJYFZSA-N 1 3 379.548 3.599 20 0 GHADHO CC(C)(O)[C@H]1CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000450596432 876661925 /nfs/dbraw/zinc/66/19/25/876661925.db2.gz GEXPXDCWFTXDGJ-WOJBJXKFSA-N 1 3 394.987 3.811 20 0 GHADHO CC(C)(O)[C@H]1CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000450596432 876661930 /nfs/dbraw/zinc/66/19/30/876661930.db2.gz GEXPXDCWFTXDGJ-WOJBJXKFSA-N 1 3 394.987 3.811 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(N3CCCNC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850414492 876894624 /nfs/dbraw/zinc/89/46/24/876894624.db2.gz PCWDXUVASZSAPI-UGKGYDQZSA-N 1 3 392.547 3.749 20 0 GHADHO C[C@H]1C[C@@H](NCc2ccc(N3CCCNC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850414492 876894631 /nfs/dbraw/zinc/89/46/31/876894631.db2.gz PCWDXUVASZSAPI-UGKGYDQZSA-N 1 3 392.547 3.749 20 0 GHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2c(c1)CCCO2 ZINC000850440461 876924835 /nfs/dbraw/zinc/92/48/35/876924835.db2.gz YIBPPFZXRSMEJQ-GOSISDBHSA-N 1 3 380.532 3.819 20 0 GHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458451 876939822 /nfs/dbraw/zinc/93/98/22/876939822.db2.gz SNOSTCITTRQMTF-FDDCHVKYSA-N 1 3 380.532 3.819 20 0 GHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458451 876939831 /nfs/dbraw/zinc/93/98/31/876939831.db2.gz SNOSTCITTRQMTF-FDDCHVKYSA-N 1 3 380.532 3.819 20 0 GHADHO C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850574694 877039502 /nfs/dbraw/zinc/03/95/02/877039502.db2.gz IKQXYBSJHRFTSW-DENIHFKCSA-N 1 3 392.547 3.607 20 0 GHADHO O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134893102 883094635 /nfs/dbraw/zinc/09/46/35/883094635.db2.gz XNQAWFCFEKKWGG-OFNKIYASSA-N 1 3 393.531 3.658 20 0 GHADHO O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134893102 883094649 /nfs/dbraw/zinc/09/46/49/883094649.db2.gz XNQAWFCFEKKWGG-OFNKIYASSA-N 1 3 393.531 3.658 20 0 GHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000079393179 877182068 /nfs/dbraw/zinc/18/20/68/877182068.db2.gz IODWVAQQVFTEKS-NRFANRHFSA-N 1 3 386.584 3.559 20 0 GHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000079393179 877182076 /nfs/dbraw/zinc/18/20/76/877182076.db2.gz IODWVAQQVFTEKS-NRFANRHFSA-N 1 3 386.584 3.559 20 0 GHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000729600316 883115518 /nfs/dbraw/zinc/11/55/18/883115518.db2.gz QJEDKRWDFNUZPS-CVDCTZTESA-N 1 3 394.563 3.725 20 0 GHADHO CC[C@H](c1ccc(Br)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239001 877345687 /nfs/dbraw/zinc/34/56/87/877345687.db2.gz BWMSWAYBRGCMSQ-RBUKOAKNSA-N 1 3 381.358 3.991 20 0 GHADHO O=C(Nc1ccccc1)c1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530238790 877346707 /nfs/dbraw/zinc/34/67/07/877346707.db2.gz CFURWZYEVDHQSF-HSZRJFAPSA-N 1 3 393.531 3.529 20 0 GHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176268794 878174455 /nfs/dbraw/zinc/17/44/55/878174455.db2.gz GVSSACWJUSVBQZ-OAQYLSRUSA-N 1 3 386.584 3.557 20 0 GHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176268794 878174461 /nfs/dbraw/zinc/17/44/61/878174461.db2.gz GVSSACWJUSVBQZ-OAQYLSRUSA-N 1 3 386.584 3.557 20 0 GHADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCCN3CCc4ccccc4C3)ccc21 ZINC000455910802 878367917 /nfs/dbraw/zinc/36/79/17/878367917.db2.gz IQBGGVYAOKXOPP-QHCPKHFHSA-N 1 3 392.547 3.805 20 0 GHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000530727908 878401164 /nfs/dbraw/zinc/40/11/64/878401164.db2.gz PLORRFZBKAEPQI-UGKGYDQZSA-N 1 3 392.547 3.558 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245779757 878588117 /nfs/dbraw/zinc/58/81/17/878588117.db2.gz YRASGOSXZZIXIR-XQUALCHDSA-N 1 3 395.591 3.953 20 0 GHADHO O=C(C1CCCCC1)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245779757 878588128 /nfs/dbraw/zinc/58/81/28/878588128.db2.gz YRASGOSXZZIXIR-XQUALCHDSA-N 1 3 395.591 3.953 20 0 GHADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)N(C)C)cc1 ZINC000177481076 878722139 /nfs/dbraw/zinc/72/21/39/878722139.db2.gz ROEBSYSSILGPQL-QFIPXVFZSA-N 1 3 386.584 3.694 20 0 GHADHO O[C@@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cc(F)ccc1F ZINC000853120231 878827595 /nfs/dbraw/zinc/82/75/95/878827595.db2.gz HYWHULMRCOQYNT-AVRDEDQJSA-N 1 3 386.486 3.890 20 0 GHADHO CC(C)c1ccc(C[C@@H]2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000460980452 878921273 /nfs/dbraw/zinc/92/12/73/878921273.db2.gz TZRKKXXDHAQWCK-NRFANRHFSA-N 1 3 385.596 3.663 20 0 GHADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853241080 878925013 /nfs/dbraw/zinc/92/50/13/878925013.db2.gz UHMKZMZXXMZORA-ICSRJNTNSA-N 1 3 397.563 3.553 20 0 GHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000667054181 878954954 /nfs/dbraw/zinc/95/49/54/878954954.db2.gz UCRRZDAAIARPNB-IRLDBZIGSA-N 1 3 396.579 3.888 20 0 GHADHO CC1(N2CCOCC2)CCC([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001183370412 912485587 /nfs/dbraw/zinc/48/55/87/912485587.db2.gz DIJUUFASKCPNTG-NSQNTRMNSA-N 1 3 385.596 3.664 20 0 GHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@@H](OC)c3ccccc3)cc2)CC1 ZINC000493967660 879785834 /nfs/dbraw/zinc/78/58/34/879785834.db2.gz HNRCNBDTBXKIJI-GBXCKJPGSA-N 1 3 381.564 3.690 20 0 GHADHO C[C@H]1CC[C@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139794 879826810 /nfs/dbraw/zinc/82/68/10/879826810.db2.gz VZVJODSXSVXQCG-ZNEWLNCYSA-N 1 3 383.580 3.821 20 0 GHADHO C[C@H]1CC[C@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139794 879826821 /nfs/dbraw/zinc/82/68/21/879826821.db2.gz VZVJODSXSVXQCG-ZNEWLNCYSA-N 1 3 383.580 3.821 20 0 GHADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H](C)C1 ZINC000246959760 879863245 /nfs/dbraw/zinc/86/32/45/879863245.db2.gz HTYWFVFNTJUXCY-NOLJZWGESA-N 1 3 390.881 3.652 20 0 GHADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H](C)C1 ZINC000246959760 879863251 /nfs/dbraw/zinc/86/32/51/879863251.db2.gz HTYWFVFNTJUXCY-NOLJZWGESA-N 1 3 390.881 3.652 20 0 GHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494188178 880003332 /nfs/dbraw/zinc/00/33/32/880003332.db2.gz HQSQOKGXUFDNCF-IAGOWNOFSA-N 1 3 387.749 3.570 20 0 GHADHO CC[C@H](CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1)[NH+]1CCCC1 ZINC000531686577 880318086 /nfs/dbraw/zinc/31/80/86/880318086.db2.gz PMNYIAYHIXHSLF-WMLDXEAASA-N 1 3 382.346 3.630 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000184753987 880374675 /nfs/dbraw/zinc/37/46/75/880374675.db2.gz XVGNJKVJUIOZBR-QZTJIDSGSA-N 1 3 375.516 3.774 20 0 GHADHO COc1ccc(-c2cnc(NCc3nc4c(s3)C[N@@H+](C(C)C)CC4)n2C)cc1 ZINC000453052066 880400560 /nfs/dbraw/zinc/40/05/60/880400560.db2.gz NSOQHFNAAWTCBS-UHFFFAOYSA-N 1 3 397.548 3.931 20 0 GHADHO COc1ccc(-c2cnc(NCc3nc4c(s3)C[N@H+](C(C)C)CC4)n2C)cc1 ZINC000453052066 880400572 /nfs/dbraw/zinc/40/05/72/880400572.db2.gz NSOQHFNAAWTCBS-UHFFFAOYSA-N 1 3 397.548 3.931 20 0 GHADHO c1ncn(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@@H]4CCC[C@@H]43)cc2)n1 ZINC000453109392 880477315 /nfs/dbraw/zinc/47/73/15/880477315.db2.gz PKTQAVIQWNGRRG-TZRRMPRUSA-N 1 3 387.531 3.800 20 0 GHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000531948409 880806190 /nfs/dbraw/zinc/80/61/90/880806190.db2.gz YEHPXNCPAFWKRF-UNMCSNQZSA-N 1 3 377.617 3.654 20 0 GHADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCCCN(C)C2CC2)cc1 ZINC000453390094 880886693 /nfs/dbraw/zinc/88/66/93/880886693.db2.gz CXARRVGNOBANIW-NHCUHLMSSA-N 1 3 378.582 3.544 20 0 GHADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H](C)C1 ZINC000119898455 881206411 /nfs/dbraw/zinc/20/64/11/881206411.db2.gz HTYWFVFNTJUXCY-XPKDYRNWSA-N 1 3 390.881 3.652 20 0 GHADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H](C)C1 ZINC000119898455 881206427 /nfs/dbraw/zinc/20/64/27/881206427.db2.gz HTYWFVFNTJUXCY-XPKDYRNWSA-N 1 3 390.881 3.652 20 0 GHADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2cccnc2-n2ccnc2)ccc1OC ZINC000182355396 883216726 /nfs/dbraw/zinc/21/67/26/883216726.db2.gz LNUZHHPHWNYHDT-SFHVURJKSA-N 1 3 393.535 3.969 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccco1 ZINC000476986356 883540102 /nfs/dbraw/zinc/54/01/02/883540102.db2.gz VKTKQQRKYXGVEJ-NQIIRXRSSA-N 1 3 398.551 3.804 20 0 GHADHO COc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1OCc1c(C)noc1C ZINC000194062228 883655646 /nfs/dbraw/zinc/65/56/46/883655646.db2.gz IFXWQRBYXFQHKA-UHFFFAOYSA-N 1 3 399.535 3.843 20 0 GHADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230017 884165152 /nfs/dbraw/zinc/16/51/52/884165152.db2.gz KXDGBZJLMLZLHW-RJGXRXQPSA-N 1 3 386.580 3.710 20 0 GHADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177092 884382042 /nfs/dbraw/zinc/38/20/42/884382042.db2.gz LRUPSGJSAGCIDW-UCNVEGJOSA-N 1 3 376.972 3.951 20 0 GHADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177092 884382060 /nfs/dbraw/zinc/38/20/60/884382060.db2.gz LRUPSGJSAGCIDW-UCNVEGJOSA-N 1 3 376.972 3.951 20 0 GHADHO FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000806157528 884414405 /nfs/dbraw/zinc/41/44/05/884414405.db2.gz GVHRSXCOLSPHGE-UTBUEMAESA-N 1 3 382.470 3.987 20 0 GHADHO CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(F)cc1 ZINC000455868727 884600353 /nfs/dbraw/zinc/60/03/53/884600353.db2.gz WAMKIAWCSKRYBM-RTWAWAEBSA-N 1 3 384.499 3.799 20 0 GHADHO CC[NH+]1CCC(N(C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000106388354 885050689 /nfs/dbraw/zinc/05/06/89/885050689.db2.gz HTYQSQHBJZOVNT-ZCYQVOJMSA-N 1 3 396.575 3.878 20 0 GHADHO Cc1cc(F)ccc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000130906033 885325405 /nfs/dbraw/zinc/32/54/05/885325405.db2.gz JDSSFLZUFQYCIJ-UHFFFAOYSA-N 1 3 397.538 3.594 20 0 GHADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000807440852 885473876 /nfs/dbraw/zinc/47/38/76/885473876.db2.gz RTSVSZFINPDEJT-XLIONFOSSA-N 1 3 386.540 3.612 20 0 GHADHO Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000655768651 885531868 /nfs/dbraw/zinc/53/18/68/885531868.db2.gz LDNQGLRDKBZJIU-HXUWFJFHSA-N 1 3 378.495 3.932 20 0 GHADHO COc1c(F)cc(F)cc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170528359 885552256 /nfs/dbraw/zinc/55/22/56/885552256.db2.gz NKQFRZXUYFNYRG-UHFFFAOYSA-N 1 3 385.458 3.883 20 0 GHADHO CCc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)ccc1F ZINC001211917128 885563183 /nfs/dbraw/zinc/56/31/83/885563183.db2.gz WNZWEDLHMLDJKW-IBGZPJMESA-N 1 3 392.478 3.627 20 0 GHADHO CCc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)ccc1F ZINC001211917128 885563202 /nfs/dbraw/zinc/56/32/02/885563202.db2.gz WNZWEDLHMLDJKW-IBGZPJMESA-N 1 3 392.478 3.627 20 0 GHADHO Cc1cccc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1Cl ZINC000072580843 886159669 /nfs/dbraw/zinc/15/96/69/886159669.db2.gz ALQVENRMUNAQOA-UHFFFAOYSA-N 1 3 378.948 3.720 20 0 GHADHO CCCCCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802136 887711669 /nfs/dbraw/zinc/71/16/69/887711669.db2.gz DPGDYKWRJWLSLG-UHFFFAOYSA-N 1 3 387.568 3.544 20 0 GHADHO C[C@@H](c1ccccc1Cl)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777833 887783215 /nfs/dbraw/zinc/78/32/15/887783215.db2.gz MBJYFVQEPSQBLN-INIZCTEOSA-N 1 3 392.975 3.601 20 0 GHADHO C[NH+](C)CCCC1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000123417065 889027799 /nfs/dbraw/zinc/02/77/99/889027799.db2.gz BXRHONHGJIKSLA-UHFFFAOYSA-N 1 3 383.536 3.763 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000465535443 889310154 /nfs/dbraw/zinc/31/01/54/889310154.db2.gz YCNVTQREOQFYAI-MOPGFXCFSA-N 1 3 380.602 3.647 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000465535443 889310163 /nfs/dbraw/zinc/31/01/63/889310163.db2.gz YCNVTQREOQFYAI-MOPGFXCFSA-N 1 3 380.602 3.647 20 0 GHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868185233 889341786 /nfs/dbraw/zinc/34/17/86/889341786.db2.gz QBHWKBLGQTVUMV-VOQZNFBZSA-N 1 3 378.520 3.630 20 0 GHADHO CC(C)C[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467420 889627477 /nfs/dbraw/zinc/62/74/77/889627477.db2.gz MFHWISDDQHBTFL-NLWGTHIKSA-N 1 3 379.589 3.875 20 0 GHADHO CC(C)C[C@H](CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467420 889627482 /nfs/dbraw/zinc/62/74/82/889627482.db2.gz MFHWISDDQHBTFL-NLWGTHIKSA-N 1 3 379.589 3.875 20 0 GHADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000124486266 889646942 /nfs/dbraw/zinc/64/69/42/889646942.db2.gz ZNRSXUKEMBOKMI-UHFFFAOYSA-N 1 3 378.152 3.889 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000125852988 890207734 /nfs/dbraw/zinc/20/77/34/890207734.db2.gz HVFSEAQHXZHUEN-QHCPKHFHSA-N 1 3 394.563 3.562 20 0 GHADHO C[C@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccc(-n2cnnn2)cc1 ZINC000126481291 890556462 /nfs/dbraw/zinc/55/64/62/890556462.db2.gz UZERVERHIKWKRY-IBGZPJMESA-N 1 3 390.535 3.745 20 0 GHADHO c1cc(N2CCCC2)oc1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001137066478 891426598 /nfs/dbraw/zinc/42/65/98/891426598.db2.gz SRCDCZIFIXJDJE-UHFFFAOYSA-N 1 3 380.536 3.763 20 0 GHADHO c1cc(N2CCCC2)oc1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001137066478 891426604 /nfs/dbraw/zinc/42/66/04/891426604.db2.gz SRCDCZIFIXJDJE-UHFFFAOYSA-N 1 3 380.536 3.763 20 0 GHADHO CN1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000497416204 891532994 /nfs/dbraw/zinc/53/29/94/891532994.db2.gz JQJYZIKZXGJVGA-DHIUTWEWSA-N 1 3 377.532 3.500 20 0 GHADHO C[NH2+]CCC1CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000261999200 892191643 /nfs/dbraw/zinc/19/16/43/892191643.db2.gz OXFWXEULPOEZSW-UHFFFAOYSA-N 1 3 397.485 3.518 20 0 GHADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(N2CCOCC2)c1 ZINC000508716901 892842590 /nfs/dbraw/zinc/84/25/90/892842590.db2.gz GVNRBEVWGNEDSC-QPPBQGQZSA-N 1 3 393.575 3.832 20 0 GHADHO CN1CCC(N(Cc2ccccc2)C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000876111223 892972532 /nfs/dbraw/zinc/97/25/32/892972532.db2.gz XVMMFQBFLXNHHS-UHFFFAOYSA-N 1 3 386.584 3.555 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)(c4ccccc4)CC3)CC2)CC1 ZINC000563379758 893682243 /nfs/dbraw/zinc/68/22/43/893682243.db2.gz XKJPQCIGUNAGML-UHFFFAOYSA-N 1 3 397.607 3.763 20 0 GHADHO Cc1nnc(CN2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000459524222 893727274 /nfs/dbraw/zinc/72/72/74/893727274.db2.gz BCCUHOQSMNKOJA-QFIPXVFZSA-N 1 3 381.568 3.780 20 0 GHADHO C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000536836456 893909525 /nfs/dbraw/zinc/90/95/25/893909525.db2.gz AUDYHLOSOSMDHC-DYESRHJHSA-N 1 3 399.510 3.612 20 0 GHADHO OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@H]1c1ccccc1 ZINC000563654599 894029358 /nfs/dbraw/zinc/02/93/58/894029358.db2.gz FDYAQXYFPXFJQH-ZLOLNMDISA-N 1 3 376.544 3.653 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCC[C@H](c4ccccc4)O3)CC2)CC1 ZINC000878427481 894280729 /nfs/dbraw/zinc/28/07/29/894280729.db2.gz MCOQHEYVOGRRHG-DHIUTWEWSA-N 1 3 385.596 3.646 20 0 GHADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1c2ccccc2CCc2ccccc21 ZINC000563957663 894372329 /nfs/dbraw/zinc/37/23/29/894372329.db2.gz SKIYSLATAIDQFB-FCHUYYIVSA-N 1 3 389.543 3.771 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c4c(cc5c3CCC5)CCC4)CC2)CC1 ZINC000565667039 895796548 /nfs/dbraw/zinc/79/65/48/895796548.db2.gz NVUNXWRIZVIHHX-UHFFFAOYSA-N 1 3 395.591 3.799 20 0 GHADHO O[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(Cl)cccc1Cl ZINC000817905793 895955408 /nfs/dbraw/zinc/95/54/08/895955408.db2.gz OARBJLKDUBWXAP-SQGPQFPESA-N 1 3 393.314 3.872 20 0 GHADHO COc1cccc(OC)c1OCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000565884745 895957790 /nfs/dbraw/zinc/95/77/90/895957790.db2.gz LAUZCTNMVXFZAM-IBGZPJMESA-N 1 3 376.541 3.671 20 0 GHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(F)c(I)c1 ZINC000817949755 895975067 /nfs/dbraw/zinc/97/50/67/895975067.db2.gz UVURQLIAOODMBB-LBPRGKRZSA-N 1 3 398.263 3.782 20 0 GHADHO COc1ccc(OC)c([C@@H](O)CNCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000818957426 896295140 /nfs/dbraw/zinc/29/51/40/896295140.db2.gz RZZBCBVNNDWLOR-QHCPKHFHSA-N 1 3 398.547 3.759 20 0 GHADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444232 896317974 /nfs/dbraw/zinc/31/79/74/896317974.db2.gz LCVCYYMWNGDLLF-OXFYSEKESA-N 1 3 397.485 3.546 20 0 GHADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444232 896317982 /nfs/dbraw/zinc/31/79/82/896317982.db2.gz LCVCYYMWNGDLLF-OXFYSEKESA-N 1 3 397.485 3.546 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275664 896560303 /nfs/dbraw/zinc/56/03/03/896560303.db2.gz ZWIJBODQUHFYCP-FXAWDEMLSA-N 1 3 394.437 3.730 20 0 GHADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275664 896560320 /nfs/dbraw/zinc/56/03/20/896560320.db2.gz ZWIJBODQUHFYCP-FXAWDEMLSA-N 1 3 394.437 3.730 20 0 GHADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc(Cl)cc1Cl ZINC000567684216 897335601 /nfs/dbraw/zinc/33/56/01/897335601.db2.gz DVNVFQNTKDTNJC-QGZVFWFLSA-N 1 3 387.351 3.730 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3cccs3)C3CC3)CC2)CC1 ZINC000568184212 897659853 /nfs/dbraw/zinc/65/98/53/897659853.db2.gz OMGLTHNTLCRARL-HXUWFJFHSA-N 1 3 375.582 3.512 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000568192769 897666213 /nfs/dbraw/zinc/66/62/13/897666213.db2.gz SWTWZQHMYGGGFV-DEOSSOPVSA-N 1 3 383.580 3.551 20 0 GHADHO c1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210992 899196256 /nfs/dbraw/zinc/19/62/56/899196256.db2.gz QEMWIYDROMRXRZ-DHIUTWEWSA-N 1 3 376.548 3.636 20 0 GHADHO c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210992 899196266 /nfs/dbraw/zinc/19/62/66/899196266.db2.gz QEMWIYDROMRXRZ-DHIUTWEWSA-N 1 3 376.548 3.636 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631926 899456694 /nfs/dbraw/zinc/45/66/94/899456694.db2.gz WIGKDDNEPSVTGB-QTJGBDASSA-N 1 3 399.623 3.910 20 0 GHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000570761407 899566732 /nfs/dbraw/zinc/56/67/32/899566732.db2.gz ZUPJQOVUXBNVAU-UHFFFAOYSA-N 1 3 379.976 3.709 20 0 GHADHO C[NH+]1CCC(Oc2ccc(CNCc3c[nH]nc3-c3ccsc3)cc2)CC1 ZINC000572065767 900050486 /nfs/dbraw/zinc/05/04/86/900050486.db2.gz VBMQBFZQEVLSPS-UHFFFAOYSA-N 1 3 382.533 3.901 20 0 GHADHO O=C(C1CC1)N1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000572787574 900277430 /nfs/dbraw/zinc/27/74/30/900277430.db2.gz AOWMELSYEQUVNJ-GMKZXUHWSA-N 1 3 395.591 3.668 20 0 GHADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccsc1 ZINC000573153262 900399117 /nfs/dbraw/zinc/39/91/17/900399117.db2.gz AJBMWFYTSZGRCF-PMACEKPBSA-N 1 3 392.613 3.791 20 0 GHADHO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460235 902230007 /nfs/dbraw/zinc/23/00/07/902230007.db2.gz CPEQHDDLFSVWKK-NHCUHLMSSA-N 1 3 389.971 3.781 20 0 GHADHO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460235 902230018 /nfs/dbraw/zinc/23/00/18/902230018.db2.gz CPEQHDDLFSVWKK-NHCUHLMSSA-N 1 3 389.971 3.781 20 0 GHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccccc4)C[C@@H]3C)CC2)CC1 ZINC000577229983 902602205 /nfs/dbraw/zinc/60/22/05/902602205.db2.gz VADYRZYOFVCVAV-REWPJTCUSA-N 1 3 397.607 3.977 20 0 GHADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000577363501 902714323 /nfs/dbraw/zinc/71/43/23/902714323.db2.gz LSSDMLWUUMHWCE-UNMCSNQZSA-N 1 3 382.552 3.714 20 0 GHADHO CCOc1cccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000263961032 902719378 /nfs/dbraw/zinc/71/93/78/902719378.db2.gz OYISLAIMTSYWNT-UHFFFAOYSA-N 1 3 398.547 3.865 20 0 GHADHO CCOc1cccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000263961032 902719390 /nfs/dbraw/zinc/71/93/90/902719390.db2.gz OYISLAIMTSYWNT-UHFFFAOYSA-N 1 3 398.547 3.865 20 0 GHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)N3CCc4ccccc43)C2)s1 ZINC000577378451 902725190 /nfs/dbraw/zinc/72/51/90/902725190.db2.gz WDYPUCMCKSEQNL-LJQANCHMSA-N 1 3 397.588 3.790 20 0 GHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)N3CCc4ccccc43)C2)s1 ZINC000577378451 902725205 /nfs/dbraw/zinc/72/52/05/902725205.db2.gz WDYPUCMCKSEQNL-LJQANCHMSA-N 1 3 397.588 3.790 20 0 GHADHO CC[NH+]1CCC(C(=O)Nc2cccc3c2CN(C)C[C@H]3c2ccccc2)CC1 ZINC001146787399 903609643 /nfs/dbraw/zinc/60/96/43/903609643.db2.gz SOXFEWYPCAHGGQ-NRFANRHFSA-N 1 3 377.532 3.934 20 0 GHADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000578363875 903769691 /nfs/dbraw/zinc/76/96/91/903769691.db2.gz WFVJDDNSCCUSIV-QHCPKHFHSA-N 1 3 379.548 3.652 20 0 GHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])c4cc(C)ccc43)cc2)CC1 ZINC001149010949 904265989 /nfs/dbraw/zinc/26/59/89/904265989.db2.gz RAVLDRVFLZAUMN-JOCHJYFZSA-N 1 3 392.547 3.577 20 0 GHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000773014178 904373682 /nfs/dbraw/zinc/37/36/82/904373682.db2.gz ITCADQQUNMWUBG-FHLIZLRMSA-N 1 3 389.367 3.753 20 0 GHADHO COCCC1([NH3+])CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)CC1 ZINC001171597303 904859682 /nfs/dbraw/zinc/85/96/82/904859682.db2.gz RLEYPDZZGLJKQF-ZWKOTPCHSA-N 1 3 397.604 3.630 20 0 GHADHO COc1cccc(C(=O)NC2CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)c1 ZINC001171640991 904930109 /nfs/dbraw/zinc/93/01/09/904930109.db2.gz LLNIKWXMFIOXJZ-UHFFFAOYSA-N 1 3 387.568 3.541 20 0 GHADHO COc1cccc(C(=O)NC2CCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)c1 ZINC001171640991 904930116 /nfs/dbraw/zinc/93/01/16/904930116.db2.gz LLNIKWXMFIOXJZ-UHFFFAOYSA-N 1 3 387.568 3.541 20 0 GHADHO COC(=O)[C@H]1C[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C[C@@H]1c1ccc(F)cc1 ZINC001171641922 904932443 /nfs/dbraw/zinc/93/24/43/904932443.db2.gz WDGXKVZZSYJVID-MOPGFXCFSA-N 1 3 376.516 3.666 20 0 GHADHO COC(=O)[C@H]1C[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C[C@@H]1c1ccc(F)cc1 ZINC001171641922 904932446 /nfs/dbraw/zinc/93/24/46/904932446.db2.gz WDGXKVZZSYJVID-MOPGFXCFSA-N 1 3 376.516 3.666 20 0 GHADHO [NH3+]C1(Cc2ccccc2)CCN([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171881380 905154626 /nfs/dbraw/zinc/15/46/26/905154626.db2.gz RHBNGNSVSJOPMN-QHCPKHFHSA-N 1 3 391.559 3.717 20 0 GHADHO CC1(C)C[C@@H](N2CCC(N3CCCOC3=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171985830 905243793 /nfs/dbraw/zinc/24/37/93/905243793.db2.gz CESNLUYCAUJCJH-NRFANRHFSA-N 1 3 385.552 3.736 20 0 GHADHO CC1(C)C[C@@H](N2CCC(N3CCCOC3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171985830 905243803 /nfs/dbraw/zinc/24/38/03/905243803.db2.gz CESNLUYCAUJCJH-NRFANRHFSA-N 1 3 385.552 3.736 20 0 GHADHO O[C@@]1(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071926 905276329 /nfs/dbraw/zinc/27/63/29/905276329.db2.gz JMTDMKPJYTXTDF-ILSIFQBBSA-N 1 3 392.543 3.832 20 0 GHADHO O[C@@]1(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071926 905276345 /nfs/dbraw/zinc/27/63/45/905276345.db2.gz JMTDMKPJYTXTDF-ILSIFQBBSA-N 1 3 392.543 3.832 20 0 GHADHO CC(C)C(=O)NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076184 905288307 /nfs/dbraw/zinc/28/83/07/905288307.db2.gz WOENDOVLBIYZJF-JKHIJQBDSA-N 1 3 383.580 3.809 20 0 GHADHO CC(C)C(=O)NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076184 905288318 /nfs/dbraw/zinc/28/83/18/905288318.db2.gz WOENDOVLBIYZJF-JKHIJQBDSA-N 1 3 383.580 3.809 20 0 GHADHO OC[C@H](Cc1cccc(F)c1)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076300 905288550 /nfs/dbraw/zinc/28/85/50/905288550.db2.gz HRWDQJJEPNLEDJ-NEWJYFPISA-N 1 3 382.523 3.904 20 0 GHADHO OC[C@H](Cc1cccc(F)c1)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076300 905288557 /nfs/dbraw/zinc/28/85/57/905288557.db2.gz HRWDQJJEPNLEDJ-NEWJYFPISA-N 1 3 382.523 3.904 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@]1(F)CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172100127 905322316 /nfs/dbraw/zinc/32/23/16/905322316.db2.gz PHJMIEYWCMHNKU-DCXXXQMHSA-N 1 3 383.552 3.721 20 0 GHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001172113297 905362923 /nfs/dbraw/zinc/36/29/23/905362923.db2.gz IEQYRSBLINDIGV-PMOLBWCYSA-N 1 3 381.486 3.838 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172122463 905385040 /nfs/dbraw/zinc/38/50/40/905385040.db2.gz BJNWHMJIKVPSBE-KAOXLYBCSA-N 1 3 385.596 3.997 20 0 GHADHO COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172122463 905385059 /nfs/dbraw/zinc/38/50/59/905385059.db2.gz BJNWHMJIKVPSBE-KAOXLYBCSA-N 1 3 385.596 3.997 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC4(CCCC4)c4ccccc43)CC2)CC1 ZINC000175733131 905650581 /nfs/dbraw/zinc/65/05/81/905650581.db2.gz XVDOICQVJQYVJL-UHFFFAOYSA-N 1 3 396.579 3.587 20 0 GHADHO COc1cccc2c1C[C@H]([NH+]1CCC3(CC[C@@H]3N(C)Cc3ccco3)CC1)CO2 ZINC001173154202 906241559 /nfs/dbraw/zinc/24/15/59/906241559.db2.gz LEPQULUXLGXDGU-MBSDFSHPSA-N 1 3 396.531 3.968 20 0 GHADHO COc1cccc2c1C[C@H](N1CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154202 906241571 /nfs/dbraw/zinc/24/15/71/906241571.db2.gz LEPQULUXLGXDGU-MBSDFSHPSA-N 1 3 396.531 3.968 20 0 GHADHO COc1cccc2c1C[C@H](N1CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154202 906241590 /nfs/dbraw/zinc/24/15/90/906241590.db2.gz LEPQULUXLGXDGU-MBSDFSHPSA-N 1 3 396.531 3.968 20 0 GHADHO CC1(C)CC(N)CC(C)(C)[NH+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173410271 906436625 /nfs/dbraw/zinc/43/66/25/906436625.db2.gz CSRIRCDFTAQSNE-UHFFFAOYSA-N 1 3 377.960 3.925 20 0 GHADHO CC(=O)Oc1ccc(C2CCC([NH+]3CCN(c4ccncc4)CC3)CC2)cc1 ZINC001173793386 906714915 /nfs/dbraw/zinc/71/49/15/906714915.db2.gz WJHWTJWEHTVRNL-UHFFFAOYSA-N 1 3 379.504 3.855 20 0 GHADHO CC(=O)Oc1ccc(C2CCC(N3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001173793386 906714929 /nfs/dbraw/zinc/71/49/29/906714929.db2.gz WJHWTJWEHTVRNL-UHFFFAOYSA-N 1 3 379.504 3.855 20 0 GHADHO CCCCN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984462 907334582 /nfs/dbraw/zinc/33/45/82/907334582.db2.gz PIXIIGZFZXPIQY-GOSISDBHSA-N 1 3 399.620 3.626 20 0 GHADHO OC1(c2cccnc2)CCC([NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000186351277 907911660 /nfs/dbraw/zinc/91/16/60/907911660.db2.gz YLGYMIRPMFTOJT-QCVQKGSRSA-N 1 3 391.559 3.712 20 0 GHADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCCS2 ZINC000188037385 908169393 /nfs/dbraw/zinc/16/93/93/908169393.db2.gz ATKVGKLTGKNZHH-JXFKEZNVSA-N 1 3 376.566 3.713 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCCCc3ccc(F)cc3)CC2)CC1 ZINC000188834446 908255679 /nfs/dbraw/zinc/25/56/79/908255679.db2.gz YLTFGVRCGAJAMX-UHFFFAOYSA-N 1 3 389.559 3.603 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cnc(-c3ccsc3)s2)C1 ZINC001178463448 909066145 /nfs/dbraw/zinc/06/61/45/909066145.db2.gz QETIXLBZFZYDHE-SFHVURJKSA-N 1 3 385.558 3.728 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cnc(-c3ccsc3)s2)C1 ZINC001178463448 909066161 /nfs/dbraw/zinc/06/61/61/909066161.db2.gz QETIXLBZFZYDHE-SFHVURJKSA-N 1 3 385.558 3.728 20 0 GHADHO C[C@@H]1C[C@@H](NCc2cccc(CN3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268832565 910038424 /nfs/dbraw/zinc/03/84/24/910038424.db2.gz RGRHIQUKYSHYIT-YKSBVNFPSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@@H]1C[C@@H](NCc2cccc(CN3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000268832565 910038432 /nfs/dbraw/zinc/03/84/32/910038432.db2.gz RGRHIQUKYSHYIT-YKSBVNFPSA-N 1 3 391.559 3.952 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000246011378 910046150 /nfs/dbraw/zinc/04/61/50/910046150.db2.gz LAGSAOVWQWBRAA-KNQAVFIVSA-N 1 3 385.552 3.988 20 0 GHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000246011378 910046167 /nfs/dbraw/zinc/04/61/67/910046167.db2.gz LAGSAOVWQWBRAA-KNQAVFIVSA-N 1 3 385.552 3.988 20 0 GHADHO CN1Cc2c(NC(=O)C3(C)CC[NH+](C)CC3)cccc2[C@H](c2ccccc2)C1 ZINC001181988279 911111841 /nfs/dbraw/zinc/11/18/41/911111841.db2.gz YCWREQIEFDPVMI-FQEVSTJZSA-N 1 3 377.532 3.934 20 0 GHADHO COCCOCc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000291070405 914955267 /nfs/dbraw/zinc/95/52/67/914955267.db2.gz AZVCRKJREHPWEE-LJQANCHMSA-N 1 3 386.536 3.641 20 0 GHADHO C[NH+](C)CCCOc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000649704757 916343646 /nfs/dbraw/zinc/34/36/46/916343646.db2.gz VVFLEUNWHJNPPP-IAGOWNOFSA-N 1 3 388.430 3.703 20 0 GHADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3cc(Cl)ccc3Cl)CC2)C1=O ZINC001275727168 916443611 /nfs/dbraw/zinc/44/36/11/916443611.db2.gz FGNRMKRIDDOMNK-HXUWFJFHSA-N 1 3 398.378 3.760 20 0 GHADHO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(OC)c(CN(CC)CC)c2)CC1 ZINC000775361790 917164482 /nfs/dbraw/zinc/16/44/82/917164482.db2.gz DATYWKUVHYEDHS-QGZVFWFLSA-N 1 3 391.556 3.809 20 0 GHADHO CN(c1ccccc1)c1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650724858 917252098 /nfs/dbraw/zinc/25/20/98/917252098.db2.gz NOXKPHLRHDJEJL-FCEUIQTBSA-N 1 3 380.536 3.710 20 0 GHADHO COc1ccc([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)cc1CN1CCCCC1 ZINC000775383039 917313472 /nfs/dbraw/zinc/31/34/72/917313472.db2.gz UCSLCNDCFCBBOA-QGZVFWFLSA-N 1 3 391.556 3.856 20 0 GHADHO Cc1ccc(C[C@@H]2CCCN(CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001190682367 917511133 /nfs/dbraw/zinc/51/11/33/917511133.db2.gz HCRSRKSEUOQMQS-LADGPHEKSA-N 1 3 393.575 3.669 20 0 GHADHO OC1CC[NH+](Cc2ccc(CN[C@H]3CCCc4nc(Cl)ccc43)cc2)CC1 ZINC000297806934 919801816 /nfs/dbraw/zinc/80/18/16/919801816.db2.gz QPTZFAKSVNFMNW-FQEVSTJZSA-N 1 3 385.939 3.859 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000902505864 922245626 /nfs/dbraw/zinc/24/56/26/922245626.db2.gz VVSHTXMEXJNTCS-KPDCDPCYSA-N 1 3 379.504 3.558 20 0 GHADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000902505866 922246695 /nfs/dbraw/zinc/24/66/95/922246695.db2.gz VVSHTXMEXJNTCS-WGGBDISSSA-N 1 3 379.504 3.558 20 0 GHADHO C[S@@](=O)Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000367713270 922277717 /nfs/dbraw/zinc/27/77/17/922277717.db2.gz RIJBVRBHDAXNJX-IQXSCUCBSA-N 1 3 382.573 3.850 20 0 GHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199835 922848036 /nfs/dbraw/zinc/84/80/36/922848036.db2.gz NHQPRYVRIJZIDA-URXFXBBRSA-N 1 3 398.522 3.650 20 0 GHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199835 922848046 /nfs/dbraw/zinc/84/80/46/922848046.db2.gz NHQPRYVRIJZIDA-URXFXBBRSA-N 1 3 398.522 3.650 20 0 GHADHO CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCCC[NH2+]C2)n1 ZINC000903788165 923293941 /nfs/dbraw/zinc/29/39/41/923293941.db2.gz DFEUNVCGDGKDAJ-DIXTZKEJSA-N 1 3 391.625 3.731 20 0 GHADHO Cc1ccc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(Br)c1 ZINC000678296237 924712673 /nfs/dbraw/zinc/71/26/73/924712673.db2.gz XUVBOZSSMSGIOU-UHFFFAOYSA-N 1 3 394.401 3.748 20 0 GHADHO CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000678589068 924831721 /nfs/dbraw/zinc/83/17/21/924831721.db2.gz IPEKVJKGLIBKDO-FQEVSTJZSA-N 1 3 385.577 3.685 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@]3(CC[C@@H](C)C3)C2)CC1 ZINC000679836039 925280240 /nfs/dbraw/zinc/28/02/40/925280240.db2.gz VJXZFXXLKGVCCY-DVECYGJZSA-N 1 3 383.580 3.588 20 0 GHADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCN(C4CCCC4)CC3)cc2)CC1 ZINC000410340665 925550977 /nfs/dbraw/zinc/55/09/77/925550977.db2.gz ZSPYNNHYJWTZBW-UHFFFAOYSA-N 1 3 398.595 3.688 20 0 GHADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)CC1 ZINC000412011220 927006555 /nfs/dbraw/zinc/00/65/55/927006555.db2.gz SUSRYBQKMHMMIC-HSZRJFAPSA-N 1 3 387.612 3.676 20 0 GHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751069703 928011591 /nfs/dbraw/zinc/01/15/91/928011591.db2.gz HUDDZKIJYNTOLB-VNXZQDSDSA-N 1 3 398.595 3.920 20 0 GHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](CC(C)(C)C)C3(C)C)CC2)CC1 ZINC000413213032 928326250 /nfs/dbraw/zinc/32/62/50/928326250.db2.gz ZBEBQEZRVGIPSC-SFHVURJKSA-N 1 3 392.632 3.791 20 0 GHADHO CN1CCN(CC2(C)CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)CC1 ZINC000544595161 929322148 /nfs/dbraw/zinc/32/21/48/929322148.db2.gz RKHFZKUJPMZMQH-UHFFFAOYSA-N 1 3 378.564 3.598 20 0 GHADHO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000757772789 929795293 /nfs/dbraw/zinc/79/52/93/929795293.db2.gz KXPYGSGZHMYNLE-CVDCTZTESA-N 1 3 394.563 3.553 20 0 GHADHO C[C@@H](NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000469757719 930139715 /nfs/dbraw/zinc/13/97/15/930139715.db2.gz NPCOIZSNVVNMQR-LFALDJFMSA-N 1 3 397.538 3.749 20 0 GHADHO C[C@@H]1C[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000781337790 930801709 /nfs/dbraw/zinc/80/17/09/930801709.db2.gz LMBUJGZUSDJZPI-QAPCUYQASA-N 1 3 387.515 3.756 20 0 GHADHO C[C@@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000781337790 930801720 /nfs/dbraw/zinc/80/17/20/930801720.db2.gz LMBUJGZUSDJZPI-QAPCUYQASA-N 1 3 387.515 3.756 20 0 GHADHO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000781421819 930837330 /nfs/dbraw/zinc/83/73/30/930837330.db2.gz LQKFYWRFXVSZTR-BHIFYINESA-N 1 3 399.579 3.744 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000557259017 931305140 /nfs/dbraw/zinc/30/51/40/931305140.db2.gz HTLVQNCAWCKYJO-GHTZIAJQSA-N 1 3 381.520 3.667 20 0 GHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000557259017 931305155 /nfs/dbraw/zinc/30/51/55/931305155.db2.gz HTLVQNCAWCKYJO-GHTZIAJQSA-N 1 3 381.520 3.667 20 0 GHADHO COc1ccc([C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC000557575552 931554014 /nfs/dbraw/zinc/55/40/14/931554014.db2.gz BEHXFDGJSNQIHT-QFIPXVFZSA-N 1 3 387.568 3.603 20 0 GHADHO COc1ccc([C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC000557575552 931554020 /nfs/dbraw/zinc/55/40/20/931554020.db2.gz BEHXFDGJSNQIHT-QFIPXVFZSA-N 1 3 387.568 3.603 20 0 GHADHO CN(C)CC[NH+]1CCC(CN[C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924960585 931595027 /nfs/dbraw/zinc/59/50/27/931595027.db2.gz TUTJHAGEROIBRK-DEOSSOPVSA-N 1 3 392.547 3.780 20 0 GHADHO COC(=O)COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000559081397 932420569 /nfs/dbraw/zinc/42/05/69/932420569.db2.gz WNUNYHMQNSDNAU-QFIPXVFZSA-N 1 3 396.531 3.629 20 0 GHADHO COC(=O)COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000559081397 932420571 /nfs/dbraw/zinc/42/05/71/932420571.db2.gz WNUNYHMQNSDNAU-QFIPXVFZSA-N 1 3 396.531 3.629 20 0 GHADHO CN(CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000797966052 932474263 /nfs/dbraw/zinc/47/42/63/932474263.db2.gz FZYUCKKLBKJHRF-FQEVSTJZSA-N 1 3 375.557 3.697 20 0 GHADHO CN(CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000797966052 932474264 /nfs/dbraw/zinc/47/42/64/932474264.db2.gz FZYUCKKLBKJHRF-FQEVSTJZSA-N 1 3 375.557 3.697 20 0 GHADHO C[C@H]1CCC[N@H+](CCCCNCc2c(Cl)cccc2N2CCOCC2)C1 ZINC000559243474 932545072 /nfs/dbraw/zinc/54/50/72/932545072.db2.gz IYJRLKXBKTUIPS-SFHVURJKSA-N 1 3 379.976 3.778 20 0 GHADHO C[C@H]1CCC[N@@H+](CCCCNCc2c(Cl)cccc2N2CCOCC2)C1 ZINC000559243474 932545074 /nfs/dbraw/zinc/54/50/74/932545074.db2.gz IYJRLKXBKTUIPS-SFHVURJKSA-N 1 3 379.976 3.778 20 0 GHADHO C[C@@H](NC(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000562191150 934752519 /nfs/dbraw/zinc/75/25/19/934752519.db2.gz CKUQOGJAFWARKT-MOPGFXCFSA-N 1 3 385.596 3.795 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(Cl)n1 ZINC000829597861 935832710 /nfs/dbraw/zinc/83/27/10/935832710.db2.gz BOYJLQVPKFERAI-YQVWRLOYSA-N 1 3 392.975 3.546 20 0 GHADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(Cl)n1 ZINC000829597861 935832712 /nfs/dbraw/zinc/83/27/12/935832712.db2.gz BOYJLQVPKFERAI-YQVWRLOYSA-N 1 3 392.975 3.546 20 0 GHADHO C[C@@H](CNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1)CC(C)(C)CC[NH3+] ZINC001220763557 1032105775 /nfs/dbraw/zinc/10/57/75/1032105775.db2.gz GFFRKZIZZPVKIK-GCJKJVERSA-N 1 3 381.564 3.741 20 0 GHADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001221063324 1032262936 /nfs/dbraw/zinc/26/29/36/1032262936.db2.gz RVJFZDPTXBFMKG-RJGXRXQPSA-N 1 3 377.532 3.508 20 0 GHADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001221071149 1032267194 /nfs/dbraw/zinc/26/71/94/1032267194.db2.gz KHPIGPDYFDWFIQ-MOPGFXCFSA-N 1 3 392.613 3.645 20 0 GHADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC001221071149 1032267209 /nfs/dbraw/zinc/26/72/09/1032267209.db2.gz KHPIGPDYFDWFIQ-MOPGFXCFSA-N 1 3 392.613 3.645 20 0 GHADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H]1CCc2ccccc2C1 ZINC001227161656 1032300732 /nfs/dbraw/zinc/30/07/32/1032300732.db2.gz VHOOVOMRGNEGCA-DEOSSOPVSA-N 1 3 395.591 3.808 20 0 GHADHO C[NH+](C)CC[C@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C(C)(C)C ZINC001227447687 1032423959 /nfs/dbraw/zinc/42/39/59/1032423959.db2.gz SMECFBKTABFRTF-RTWAWAEBSA-N 1 3 388.600 3.879 20 0 GHADHO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC001204225499 1032673510 /nfs/dbraw/zinc/67/35/10/1032673510.db2.gz YNJLNCLQGUKODU-KRWDZBQOSA-N 1 3 376.447 3.813 20 0 GHADHO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC001204225499 1032673523 /nfs/dbraw/zinc/67/35/23/1032673523.db2.gz YNJLNCLQGUKODU-KRWDZBQOSA-N 1 3 376.447 3.813 20 0 GHADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2c(ccc3ccccc23)o1 ZINC000925851999 1017163160 /nfs/dbraw/zinc/16/31/60/1017163160.db2.gz BOHMWUANKZFYQI-DOTOQJQBSA-N 1 3 378.472 3.922 20 0 GHADHO COC(=O)CCN(Cc1ccccc1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204268802 1032711946 /nfs/dbraw/zinc/71/19/46/1032711946.db2.gz QEYKQCURSZKKIW-UHFFFAOYSA-N 1 3 384.520 3.582 20 0 GHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000578319560 1020343614 /nfs/dbraw/zinc/34/36/14/1020343614.db2.gz QIKMSSFRNGXDCY-FDDCHVKYSA-N 1 3 377.532 3.564 20 0 GHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000578319560 1020343620 /nfs/dbraw/zinc/34/36/20/1020343620.db2.gz QIKMSSFRNGXDCY-FDDCHVKYSA-N 1 3 377.532 3.564 20 0 GHADHO CN1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000677583219 1021852570 /nfs/dbraw/zinc/85/25/70/1021852570.db2.gz ANKFMCCQMSZARV-PKTZIBPZSA-N 1 3 398.595 3.729 20 0 GHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3cccc4cnccc43)CC2)cc1 ZINC000679929168 1022062393 /nfs/dbraw/zinc/06/23/93/1022062393.db2.gz VVBSLKVIFQMBLY-UHFFFAOYSA-N 1 3 388.559 3.922 20 0 GHADHO Fc1ccccc1[C@@H](CC1CC[NH2+]CC1)Nc1cccc(N2CCOCC2)n1 ZINC001162236436 1025685929 /nfs/dbraw/zinc/68/59/29/1025685929.db2.gz ONUDDNFPPAJWAA-HXUWFJFHSA-N 1 3 384.499 3.600 20 0 GHADHO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000839550836 1026049521 /nfs/dbraw/zinc/04/95/21/1026049521.db2.gz IOHSKTTXWSGCBW-OTWHNJEPSA-N 1 3 379.589 3.876 20 0 GHADHO COc1cc2cc[nH+]c(N3CC4(CN(Cc5ccccc5)C4)C3)c2cc1OC ZINC001165123048 1026619053 /nfs/dbraw/zinc/61/90/53/1026619053.db2.gz XNUANMLWZJJQHR-UHFFFAOYSA-N 1 3 375.472 3.574 20 0 GHADHO COc1cc2ccnc(N3CC4(C3)C[NH+](Cc3ccccc3)C4)c2cc1OC ZINC001165123048 1026619063 /nfs/dbraw/zinc/61/90/63/1026619063.db2.gz XNUANMLWZJJQHR-UHFFFAOYSA-N 1 3 375.472 3.574 20 0 GHADHO Brc1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c1OCCCO2 ZINC001202987542 1026740904 /nfs/dbraw/zinc/74/09/04/1026740904.db2.gz XSILKCINYAXCRB-DLBZAZTESA-N 1 3 395.341 3.717 20 0 GHADHO Brc1cc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)cc2c1OCCCO2 ZINC001202987542 1026740915 /nfs/dbraw/zinc/74/09/15/1026740915.db2.gz XSILKCINYAXCRB-DLBZAZTESA-N 1 3 395.341 3.717 20 0 GHADHO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001165658468 1026787462 /nfs/dbraw/zinc/78/74/62/1026787462.db2.gz JXNVAOXEQFIIKF-RJGXRXQPSA-N 1 3 391.563 3.877 20 0 GHADHO CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001165658468 1026787469 /nfs/dbraw/zinc/78/74/69/1026787469.db2.gz JXNVAOXEQFIIKF-RJGXRXQPSA-N 1 3 391.563 3.877 20 0 GHADHO CCCN1CCN(c2ccccc2C[NH2+]CCCOc2cccc(F)c2)CC1 ZINC001203968715 1027767948 /nfs/dbraw/zinc/76/79/48/1027767948.db2.gz QQUXLYLMUJIEQN-UHFFFAOYSA-N 1 3 385.527 3.916 20 0 GHADHO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001211270044 1027875226 /nfs/dbraw/zinc/87/52/26/1027875226.db2.gz SYLJPNUHCKFVLO-FCHUYYIVSA-N 1 3 398.595 3.530 20 0 GHADHO CC[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC001211270044 1027875237 /nfs/dbraw/zinc/87/52/37/1027875237.db2.gz SYLJPNUHCKFVLO-FCHUYYIVSA-N 1 3 398.595 3.530 20 0 GHADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001142137802 1028227300 /nfs/dbraw/zinc/22/73/00/1028227300.db2.gz CRMYYYQEJSESME-RCLSDMTESA-N 1 3 389.559 3.520 20 0 GHADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001142137802 1028227314 /nfs/dbraw/zinc/22/73/14/1028227314.db2.gz CRMYYYQEJSESME-RCLSDMTESA-N 1 3 389.559 3.520 20 0 GHADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001142137800 1028228229 /nfs/dbraw/zinc/22/82/29/1028228229.db2.gz CRMYYYQEJSESME-HDAAZOAOSA-N 1 3 389.559 3.520 20 0 GHADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001142137800 1028228237 /nfs/dbraw/zinc/22/82/37/1028228237.db2.gz CRMYYYQEJSESME-HDAAZOAOSA-N 1 3 389.559 3.520 20 0 GHADHO CN1CCN(c2cc[nH+]cc2Nc2ccc(CN3CCCCC3)c(F)c2)CC1 ZINC001215711311 1029360851 /nfs/dbraw/zinc/36/08/51/1029360851.db2.gz MQTSKOYJJCECOU-UHFFFAOYSA-N 1 3 383.515 3.702 20 0 GHADHO CCOC(=O)[C@H]1CCCN(C2CC[NH+](Cc3c(C)cc(OC)cc3C)CC2)C1 ZINC001142933668 1029713576 /nfs/dbraw/zinc/71/35/76/1029713576.db2.gz ZEPAAMZVMLZOIJ-IBGZPJMESA-N 1 3 388.552 3.552 20 0 GHADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843124416 1029817089 /nfs/dbraw/zinc/81/70/89/1029817089.db2.gz APGDBVBTPXBMAC-ZWKOTPCHSA-N 1 3 390.934 3.854 20 0 GHADHO c1sc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c2c1OCCO2 ZINC001143195282 1029901297 /nfs/dbraw/zinc/90/12/97/1029901297.db2.gz XXKDRKAKUINQHY-RTBURBONSA-N 1 3 384.545 3.863 20 0 GHADHO c1sc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c2c1OCCO2 ZINC001143195282 1029901298 /nfs/dbraw/zinc/90/12/98/1029901298.db2.gz XXKDRKAKUINQHY-RTBURBONSA-N 1 3 384.545 3.863 20 0 GHADHO CCOC(=O)[C@@H]1CC2(CN1C[C@@H](C)c1cccc3ccccc31)CC[NH2+]CC2 ZINC001222216131 1030010672 /nfs/dbraw/zinc/01/06/72/1030010672.db2.gz XFQKMNQEHFDMDT-GCJKJVERSA-N 1 3 380.532 3.951 20 0 GHADHO Cc1cc(I)c(CN2CCC3(CCC[NH2+]C3)CC2)cc1C ZINC001222460936 1030146859 /nfs/dbraw/zinc/14/68/59/1030146859.db2.gz IOHUSQLYUIMNQJ-UHFFFAOYSA-N 1 3 398.332 3.874 20 0 GHADHO c1ccc(COc2cc(CN3CCC4(CCC[NH2+]C4)CC3)cc3c2OCO3)cc1 ZINC001222461653 1030148455 /nfs/dbraw/zinc/14/84/55/1030148455.db2.gz XWSDHLZGYBRVTE-UHFFFAOYSA-N 1 3 394.515 3.960 20 0 GHADHO C[C@@H]1C[C@@H](C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)C[C@H](C)O1 ZINC001222574625 1030205411 /nfs/dbraw/zinc/20/54/11/1030205411.db2.gz IJMZELVQXQSHIC-IRMYBRCSSA-N 1 3 386.580 3.993 20 0 GHADHO C[C@@H]1C[C@@H](C[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)C[C@H](C)O1 ZINC001222574625 1030205425 /nfs/dbraw/zinc/20/54/25/1030205425.db2.gz IJMZELVQXQSHIC-IRMYBRCSSA-N 1 3 386.580 3.993 20 0 GHADHO COC1CCC(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574305 1030206160 /nfs/dbraw/zinc/20/61/60/1030206160.db2.gz HTYLTOLPBFUMSF-APKLWFBNSA-N 1 3 386.580 3.995 20 0 GHADHO COC1CCC(C[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574305 1030206174 /nfs/dbraw/zinc/20/61/74/1030206174.db2.gz HTYLTOLPBFUMSF-APKLWFBNSA-N 1 3 386.580 3.995 20 0 GHADHO FC(F)(F)c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC001222624334 1030247043 /nfs/dbraw/zinc/24/70/43/1030247043.db2.gz XNMJILLZBAOPMB-TXEJJXNPSA-N 1 3 377.248 3.899 20 0 GHADHO FC(F)(F)Oc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC001222629990 1030249557 /nfs/dbraw/zinc/24/95/57/1030249557.db2.gz UXCDURYKMLRSQE-BETUJISGSA-N 1 3 393.247 3.779 20 0 GHADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)CC(C)C ZINC001223090518 1030435163 /nfs/dbraw/zinc/43/51/63/1030435163.db2.gz WFIRKKAHGDEYPZ-BVSLBCMMSA-N 1 3 388.600 3.705 20 0 GHADHO CN(C)CC[C@@H](Oc1cccc2c1C(=O)CC1(CC[NH2+]CC1)O2)c1ccccc1 ZINC001218306157 1030882831 /nfs/dbraw/zinc/88/28/31/1030882831.db2.gz SNGPAUNVBOINRH-HXUWFJFHSA-N 1 3 394.515 3.846 20 0 GHADHO Cc1ccc(F)cc1NC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001218810511 1031088829 /nfs/dbraw/zinc/08/88/29/1031088829.db2.gz WOWKCYHFOQBXQB-AUSIDOKSSA-N 1 3 381.495 3.574 20 0 GHADHO Nc1ccc(-c2ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc2Cl)c(Cl)c1 ZINC001218861401 1031123130 /nfs/dbraw/zinc/12/31/30/1031123130.db2.gz FRMSBPRVGMJONJ-KRWDZBQOSA-N 1 3 381.307 3.637 20 0 GHADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001224900919 1031170167 /nfs/dbraw/zinc/17/01/67/1031170167.db2.gz WIDXXALSGOPBBU-FCEUIQTBSA-N 1 3 386.584 3.632 20 0 GHADHO O=C(Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2)c1cc2c(s1)CNCC2 ZINC001219489828 1031455784 /nfs/dbraw/zinc/45/57/84/1031455784.db2.gz WKILIBWSIDVSDM-FQEVSTJZSA-N 1 3 395.572 3.989 20 0 GHADHO Cc1cccc(C[C@]2(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CCC[NH2+]2)c1 ZINC001219998917 1031738750 /nfs/dbraw/zinc/73/87/50/1031738750.db2.gz FUBGDFXQDBPBCX-ZCYQVOJMSA-N 1 3 391.559 3.613 20 0 GHADHO CN(C)Cc1ccc(-c2noc(C3(c4ccccc4F)CC[NH2+]CC3)n2)cc1 ZINC001206184865 1033757212 /nfs/dbraw/zinc/75/72/12/1033757212.db2.gz WOCMQCJLMGMFNE-UHFFFAOYSA-N 1 3 380.467 3.607 20 0 GHADHO O=C(OCc1ccccc1)N1CC[C@@H](NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207185565 1034154213 /nfs/dbraw/zinc/15/42/13/1034154213.db2.gz PEFNAMACLNGPEI-IFMALSPDSA-N 1 3 385.552 3.784 20 0 GHADHO O=C(OCc1ccccc1)N1CC[C@@H](NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207185565 1034154236 /nfs/dbraw/zinc/15/42/36/1034154236.db2.gz PEFNAMACLNGPEI-IFMALSPDSA-N 1 3 385.552 3.784 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214495 1034181852 /nfs/dbraw/zinc/18/18/52/1034181852.db2.gz NUKMAMCBNSYAMG-FSSWDIPSSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214495 1034181859 /nfs/dbraw/zinc/18/18/59/1034181859.db2.gz NUKMAMCBNSYAMG-FSSWDIPSSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214495 1034181867 /nfs/dbraw/zinc/18/18/67/1034181867.db2.gz NUKMAMCBNSYAMG-FSSWDIPSSA-N 1 3 399.579 3.697 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214495 1034181874 /nfs/dbraw/zinc/18/18/74/1034181874.db2.gz NUKMAMCBNSYAMG-FSSWDIPSSA-N 1 3 399.579 3.697 20 0 GHADHO c1ccc(CN2CC=C(Nc3cccnc3OCC3CC[NH2+]CC3)CC2)cc1 ZINC001159295295 1034529812 /nfs/dbraw/zinc/52/98/12/1034529812.db2.gz RJWLRIUAMAUYAS-UHFFFAOYSA-N 1 3 378.520 3.662 20 0 GHADHO [NH3+]C1CCN(CCc2cn(-c3nc4nc[nH]c4cc3Cl)c3ccccc23)CC1 ZINC001159461756 1034607808 /nfs/dbraw/zinc/60/78/08/1034607808.db2.gz ZUUYGDVDSPKTJT-UHFFFAOYSA-N 1 3 394.910 3.521 20 0 GHADHO C[N@@H+]1CCC[C@H](CN2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)C1 ZINC001208606568 1034951774 /nfs/dbraw/zinc/95/17/74/1034951774.db2.gz GKONZXKYRIQFPD-FQEVSTJZSA-N 1 3 381.564 3.509 20 0 GHADHO C[N@H+]1CCC[C@H](CN2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)C1 ZINC001208606568 1034951777 /nfs/dbraw/zinc/95/17/77/1034951777.db2.gz GKONZXKYRIQFPD-FQEVSTJZSA-N 1 3 381.564 3.509 20 0 GHADHO COc1ccc(CC[NH+]2C[C@@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001208751505 1034998658 /nfs/dbraw/zinc/99/86/58/1034998658.db2.gz FNCGLSAFHLHMCS-FGZHOGPDSA-N 1 3 380.532 3.619 20 0 GHADHO O=C([C@H]1CCCC[NH2+]C1)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160680217 1035033194 /nfs/dbraw/zinc/03/31/94/1035033194.db2.gz RONNZEKQLVXPOU-ZEQRLZLVSA-N 1 3 391.559 3.679 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC[C@H]1F ZINC001208931260 1035094812 /nfs/dbraw/zinc/09/48/12/1035094812.db2.gz IQRDXEIUXHDDKV-GUDVDZBRSA-N 1 3 388.449 3.626 20 0 GHADHO O[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC[C@H]1F ZINC001208931260 1035094817 /nfs/dbraw/zinc/09/48/17/1035094817.db2.gz IQRDXEIUXHDDKV-GUDVDZBRSA-N 1 3 388.449 3.626 20 0 GHADHO CCOC[C@H]1COCCC12CC[NH+](Cc1cc(F)cc(CN(C)C)c1)CC2 ZINC001232148829 1035127228 /nfs/dbraw/zinc/12/72/28/1035127228.db2.gz KSEHMCRPNVWPPF-FQEVSTJZSA-N 1 3 378.532 3.543 20 0 GHADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1 ZINC001232150767 1035129088 /nfs/dbraw/zinc/12/90/88/1035129088.db2.gz UOODUQKXZDRERK-HSZRJFAPSA-N 1 3 399.485 3.655 20 0 GHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCCc1ccncc1)CC2 ZINC001209186844 1035204252 /nfs/dbraw/zinc/20/42/52/1035204252.db2.gz TUIBBKGPDLBBGV-HSZRJFAPSA-N 1 3 379.548 3.770 20 0 GHADHO Cc1ccc(CN(C(=O)c2csc([C@@H]3CCCN3)n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161402882 1035224514 /nfs/dbraw/zinc/22/45/14/1035224514.db2.gz YXLJMHIYCYYQNA-FHWLQOOXSA-N 1 3 398.576 3.788 20 0 GHADHO CN1CCC(N(Cc2ccc(F)cc2)C(=O)[C@@H]2CC[NH2+][C@H]2c2ccccc2)CC1 ZINC001161437291 1035231486 /nfs/dbraw/zinc/23/14/86/1035231486.db2.gz ZORGFBQXGKVDGL-PKTZIBPZSA-N 1 3 395.522 3.599 20 0 GHADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001161453355 1035234171 /nfs/dbraw/zinc/23/41/71/1035234171.db2.gz DXRFUYMFMWFUGJ-MSOLQXFVSA-N 1 3 395.469 3.633 20 0 GHADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001161453355 1035234173 /nfs/dbraw/zinc/23/41/73/1035234173.db2.gz DXRFUYMFMWFUGJ-MSOLQXFVSA-N 1 3 395.469 3.633 20 0 GHADHO CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1NCCCN1CCN(C)CC1 ZINC001161710353 1035289245 /nfs/dbraw/zinc/28/92/45/1035289245.db2.gz DBFIXLGMIMHPJN-UHFFFAOYSA-N 1 3 386.506 3.597 20 0 GHADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC001462078265 1069982794 /nfs/dbraw/zinc/98/27/94/1069982794.db2.gz BYJXTAJMZWLEPR-TVFCKZIOSA-N 1 3 386.527 3.986 20 0 GHADHO CN1CCN(c2cccc(-c3ccc4c(c3)ncn4[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC001243669525 1036245680 /nfs/dbraw/zinc/24/56/80/1036245680.db2.gz SLYHIDXQAWSAQO-OAQYLSRUSA-N 1 3 389.547 3.770 20 0 GHADHO O[C@@H](CN[C@H](CC1CC[NH2+]CC1)c1ccccc1F)c1ccc(F)c(F)c1 ZINC001246007268 1037127300 /nfs/dbraw/zinc/12/73/00/1037127300.db2.gz PQTCAOGVRFIWNV-RTWAWAEBSA-N 1 3 378.438 3.858 20 0 GHADHO Fc1ccccc1CN1CCC([NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246184279 1037226711 /nfs/dbraw/zinc/22/67/11/1037226711.db2.gz IZNQVNLIMLHMNJ-DHIUTWEWSA-N 1 3 381.539 3.743 20 0 GHADHO CC(C)(C)[C@H](NC1C[C@@H]2C=C[C@H](C1)[NH2+]2)C(O)(c1ccccc1)c1ccccc1 ZINC001246338952 1037302078 /nfs/dbraw/zinc/30/20/78/1037302078.db2.gz DIWQLCHMYAXGHK-KORDQABASA-N 1 3 376.544 3.986 20 0 GHADHO CCCC[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356932 1037315518 /nfs/dbraw/zinc/31/55/18/1037315518.db2.gz XGPCSNQKPCGDMJ-MSOLQXFVSA-N 1 3 383.502 3.969 20 0 GHADHO CCCC[C@H]1C[C@@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356937 1037316106 /nfs/dbraw/zinc/31/61/06/1037316106.db2.gz XGPCSNQKPCGDMJ-ROUUACIJSA-N 1 3 383.502 3.969 20 0 GHADHO CCCC[C@H]1C[C@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356939 1037316490 /nfs/dbraw/zinc/31/64/90/1037316490.db2.gz XGPCSNQKPCGDMJ-ZWKOTPCHSA-N 1 3 383.502 3.969 20 0 GHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)CC1 ZINC001246384790 1037345234 /nfs/dbraw/zinc/34/52/34/1037345234.db2.gz BPVNFNHDBXETEO-MJGOQNOKSA-N 1 3 378.944 3.716 20 0 GHADHO CCCC[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246394967 1037353699 /nfs/dbraw/zinc/35/36/99/1037353699.db2.gz KMXGMYBQOUFWFL-XSDIEEQYSA-N 1 3 375.532 3.767 20 0 GHADHO C[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CCN1 ZINC001246403423 1037359427 /nfs/dbraw/zinc/35/94/27/1037359427.db2.gz DUNRWUCUDTUOEN-MAUKXSAKSA-N 1 3 381.358 3.519 20 0 GHADHO COc1cccc(C2(N[C@H]3C[C@H](C)N(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246414879 1037369122 /nfs/dbraw/zinc/36/91/22/1037369122.db2.gz JVRCQYVVTLLTSM-UGKGYDQZSA-N 1 3 379.548 3.527 20 0 GHADHO C[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CCN1 ZINC001246416606 1037373648 /nfs/dbraw/zinc/37/36/48/1037373648.db2.gz SIBGARQPZGLTDC-MAUKXSAKSA-N 1 3 381.358 3.519 20 0 GHADHO COc1ccccc1CC1([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CCNCC1 ZINC001246425999 1037383138 /nfs/dbraw/zinc/38/31/38/1037383138.db2.gz NOSKGAJOQLCGQM-IBGZPJMESA-N 1 3 386.486 3.785 20 0 GHADHO COC(=O)CC1CCC(NC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246432324 1037393070 /nfs/dbraw/zinc/39/30/70/1037393070.db2.gz XBEMHRLRASYKAY-UHFFFAOYSA-N 1 3 398.469 3.996 20 0 GHADHO CN[C@H]1C[C@@H]([NH2+]C2CCC(OCOC)(c3ccc(Br)cc3)CC2)C1 ZINC001246497417 1037441907 /nfs/dbraw/zinc/44/19/07/1037441907.db2.gz RNWYZGYZTAPNKJ-FXSDRFNOSA-N 1 3 397.357 3.548 20 0 GHADHO CC(C)(C)[C@@H]1C[C@@H](NC[C@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246513146 1037452576 /nfs/dbraw/zinc/45/25/76/1037452576.db2.gz VZOCJRFJXDEEFA-OWQGQXMQSA-N 1 3 381.358 3.757 20 0 GHADHO COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1C[C@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246618577 1037509168 /nfs/dbraw/zinc/50/91/68/1037509168.db2.gz HMKBNWDKJNCIEQ-FXAWDEMLSA-N 1 3 382.935 3.895 20 0 GHADHO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1C[C@H](c3ccccc3)C3(CNC3)C1)CC2 ZINC001246618577 1037509175 /nfs/dbraw/zinc/50/91/75/1037509175.db2.gz HMKBNWDKJNCIEQ-FXAWDEMLSA-N 1 3 382.935 3.895 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CC[C@]3(c4ccccc4)CCNC[C@@H]3C1)CC2 ZINC001246687108 1037548334 /nfs/dbraw/zinc/54/83/34/1037548334.db2.gz VABXQFHSVSEBHY-DBIFOVBNSA-N 1 3 396.575 3.752 20 0 GHADHO CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@]3(c4ccccc4)CCNC[C@@H]3C1)CC2 ZINC001246687108 1037548343 /nfs/dbraw/zinc/54/83/43/1037548343.db2.gz VABXQFHSVSEBHY-DBIFOVBNSA-N 1 3 396.575 3.752 20 0 GHADHO F[C@H]1CCNC[C@@]12CC[N@@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690366 1037550025 /nfs/dbraw/zinc/55/00/25/1037550025.db2.gz KIJLMXPFAJSVLV-NLDTVIPQSA-N 1 3 380.548 3.502 20 0 GHADHO F[C@H]1CCNC[C@@]12CC[N@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690366 1037550050 /nfs/dbraw/zinc/55/00/50/1037550050.db2.gz KIJLMXPFAJSVLV-NLDTVIPQSA-N 1 3 380.548 3.502 20 0 GHADHO COc1ccc(N2C[C@@]3(CCN([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246698122 1037555672 /nfs/dbraw/zinc/55/56/72/1037555672.db2.gz WPVLRRUIWPZRAX-OFNKIYASSA-N 1 3 397.563 3.579 20 0 GHADHO c1ccc(C[C@H]2C[C@H]([N@@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CCN2)cc1 ZINC001246738008 1037582304 /nfs/dbraw/zinc/58/23/04/1037582304.db2.gz CQKGBBKDXLPQTG-XZOQPEGZSA-N 1 3 398.554 3.908 20 0 GHADHO c1ccc(C[C@H]2C[C@H]([N@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CCN2)cc1 ZINC001246738008 1037582318 /nfs/dbraw/zinc/58/23/18/1037582318.db2.gz CQKGBBKDXLPQTG-XZOQPEGZSA-N 1 3 398.554 3.908 20 0 GHADHO Cc1cccc(N2C[C@@]3(CCN([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)c1 ZINC001246750152 1037591468 /nfs/dbraw/zinc/59/14/68/1037591468.db2.gz SVUKTNASVVPIFF-GMAHTHKFSA-N 1 3 381.564 3.879 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246822458 1037654670 /nfs/dbraw/zinc/65/46/70/1037654670.db2.gz BAPZZWSSIHDUFN-MNVIUDHYSA-N 1 3 384.564 3.792 20 0 GHADHO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246822458 1037654674 /nfs/dbraw/zinc/65/46/74/1037654674.db2.gz BAPZZWSSIHDUFN-MNVIUDHYSA-N 1 3 384.564 3.792 20 0 GHADHO Brc1ccc2c(c1)C[C@@H](N1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246881675 1037697729 /nfs/dbraw/zinc/69/77/29/1037697729.db2.gz VMTCTQPJYXNFJY-HJNYFJLDSA-N 1 3 397.360 3.779 20 0 GHADHO O=C(c1ccc(Cl)cc1Cl)N1CCN([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246894280 1037708456 /nfs/dbraw/zinc/70/84/56/1037708456.db2.gz SXXZAGXCOYHSRO-INIZCTEOSA-N 1 3 396.362 3.674 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952821 1037757827 /nfs/dbraw/zinc/75/78/27/1037757827.db2.gz WYPANSNMKMJBFQ-UTKZUKDTSA-N 1 3 376.516 3.810 20 0 GHADHO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952821 1037757846 /nfs/dbraw/zinc/75/78/46/1037757846.db2.gz WYPANSNMKMJBFQ-UTKZUKDTSA-N 1 3 376.516 3.810 20 0 GHADHO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@H]2CCN[C@H](Cc3ccccc3)C2)C1 ZINC001246990772 1037815804 /nfs/dbraw/zinc/81/58/04/1037815804.db2.gz JBSIGZVVSGPDCK-SMIHKQSGSA-N 1 3 392.543 3.805 20 0 GHADHO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@H]2CCN[C@H](Cc3ccccc3)C2)C1 ZINC001246990772 1037815820 /nfs/dbraw/zinc/81/58/20/1037815820.db2.gz JBSIGZVVSGPDCK-SMIHKQSGSA-N 1 3 392.543 3.805 20 0 GHADHO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001462237725 1070110098 /nfs/dbraw/zinc/11/00/98/1070110098.db2.gz ZHMVCOCZXDRMMW-HZEGPAAWSA-N 1 3 387.568 3.932 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001232557839 1038327682 /nfs/dbraw/zinc/32/76/82/1038327682.db2.gz KDKUIDKFZIEDBR-YFVAEKQCSA-N 1 3 376.504 3.955 20 0 GHADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001232557839 1038327697 /nfs/dbraw/zinc/32/76/97/1038327697.db2.gz KDKUIDKFZIEDBR-YFVAEKQCSA-N 1 3 376.504 3.955 20 0 GHADHO CN(C)Cc1ccc(-c2noc(C3=CC4(CC[NH2+]CC4)c4ccccc43)n2)cc1 ZINC001247880483 1038445825 /nfs/dbraw/zinc/44/58/25/1038445825.db2.gz OMVOKIYVCLDXJZ-UHFFFAOYSA-N 1 3 386.499 3.865 20 0 GHADHO COc1cccc(CN2CCC3(C2)CC[NH+](C)CC3)c1NC(=O)OC(C)(C)C ZINC001233129741 1038913781 /nfs/dbraw/zinc/91/37/81/1038913781.db2.gz MBROYSHLNDIQCT-UHFFFAOYSA-N 1 3 389.540 3.960 20 0 GHADHO O[C@@]1(CNCCc2cc(C(F)(F)F)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC001252948050 1039291598 /nfs/dbraw/zinc/29/15/98/1039291598.db2.gz IYMYUAICWFKNPF-HXUWFJFHSA-N 1 3 396.428 3.614 20 0 GHADHO O[C@@]1(CNCCc2cc(C(F)(F)F)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948050 1039291600 /nfs/dbraw/zinc/29/16/00/1039291600.db2.gz IYMYUAICWFKNPF-HXUWFJFHSA-N 1 3 396.428 3.614 20 0 GHADHO Brc1cc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c[nH]1 ZINC001233436128 1039315545 /nfs/dbraw/zinc/31/55/45/1039315545.db2.gz AIVNKDVEVNTAJG-UHFFFAOYSA-N 1 3 378.314 3.858 20 0 GHADHO Brc1cc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c[nH]1 ZINC001233436128 1039315554 /nfs/dbraw/zinc/31/55/54/1039315554.db2.gz AIVNKDVEVNTAJG-UHFFFAOYSA-N 1 3 378.314 3.858 20 0 GHADHO CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC2 ZINC001233509968 1039400834 /nfs/dbraw/zinc/40/08/34/1039400834.db2.gz NBBGBGBCOKBWAL-PGRDOPGGSA-N 1 3 388.600 3.759 20 0 GHADHO CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC2 ZINC001233509968 1039400841 /nfs/dbraw/zinc/40/08/41/1039400841.db2.gz NBBGBGBCOKBWAL-PGRDOPGGSA-N 1 3 388.600 3.759 20 0 GHADHO Cc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)cc1 ZINC001253822288 1039827889 /nfs/dbraw/zinc/82/78/89/1039827889.db2.gz HKAYKXPOIPZFND-REWPJTCUSA-N 1 3 398.547 3.704 20 0 GHADHO CCOC(=O)c1cc(CN2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)c[nH]1 ZINC001234947927 1040449953 /nfs/dbraw/zinc/44/99/53/1040449953.db2.gz YLQBZQUUJPLUOO-UHFFFAOYSA-N 1 3 387.549 3.741 20 0 GHADHO CCOC(=O)c1cc(CN2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c[nH]1 ZINC001234947927 1040449958 /nfs/dbraw/zinc/44/99/58/1040449958.db2.gz YLQBZQUUJPLUOO-UHFFFAOYSA-N 1 3 387.549 3.741 20 0 GHADHO Cc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1-c1ccccc1 ZINC001235017925 1040505274 /nfs/dbraw/zinc/50/52/74/1040505274.db2.gz WFSBPYPENBXARM-FQEVSTJZSA-N 1 3 396.579 3.733 20 0 GHADHO Cc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1-c1ccccc1 ZINC001235017925 1040505294 /nfs/dbraw/zinc/50/52/94/1040505294.db2.gz WFSBPYPENBXARM-FQEVSTJZSA-N 1 3 396.579 3.733 20 0 GHADHO CCN(C)C1CC[NH+]([C@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254752526 1040512830 /nfs/dbraw/zinc/51/28/30/1040512830.db2.gz FIGDSCSYHAXUPA-IBGZPJMESA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@H+](C)C1CCN([C@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254752526 1040512849 /nfs/dbraw/zinc/51/28/49/1040512849.db2.gz FIGDSCSYHAXUPA-IBGZPJMESA-N 1 3 379.589 3.972 20 0 GHADHO CC[N@@H+](C)C1CCN([C@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254752526 1040512868 /nfs/dbraw/zinc/51/28/68/1040512868.db2.gz FIGDSCSYHAXUPA-IBGZPJMESA-N 1 3 379.589 3.972 20 0 GHADHO FC(F)Oc1ccc(Br)c(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235093109 1040583761 /nfs/dbraw/zinc/58/37/61/1040583761.db2.gz OZXDLBUZBQOKNE-UHFFFAOYSA-N 1 3 375.257 3.626 20 0 GHADHO COc1cc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c(OC)cc1Br ZINC001235154553 1040649475 /nfs/dbraw/zinc/64/94/75/1040649475.db2.gz MJWRMCBMIXVJTI-QGZVFWFLSA-N 1 3 397.357 3.820 20 0 GHADHO COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001255131759 1040828027 /nfs/dbraw/zinc/82/80/27/1040828027.db2.gz QFEMCGKHIUXDKQ-LKTXNROYSA-N 1 3 380.532 3.520 20 0 GHADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136441 1040840889 /nfs/dbraw/zinc/84/08/89/1040840889.db2.gz LBQBPHYPBHPYOG-XIKSMUEASA-N 1 3 382.470 3.817 20 0 GHADHO C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136441 1040840893 /nfs/dbraw/zinc/84/08/93/1040840893.db2.gz LBQBPHYPBHPYOG-XIKSMUEASA-N 1 3 382.470 3.817 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255144486 1040857321 /nfs/dbraw/zinc/85/73/21/1040857321.db2.gz UFXIDKICWFOKSD-KNAFXUBQSA-N 1 3 395.591 3.905 20 0 GHADHO CC(C)C(=O)N1CCC[C@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255144486 1040857325 /nfs/dbraw/zinc/85/73/25/1040857325.db2.gz UFXIDKICWFOKSD-KNAFXUBQSA-N 1 3 395.591 3.905 20 0 GHADHO Cc1ccc(OCc2ccccc2)c(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1 ZINC001235368364 1040867333 /nfs/dbraw/zinc/86/73/33/1040867333.db2.gz MWIUVMKXBAQBDZ-CQOQZXRMSA-N 1 3 378.516 3.527 20 0 GHADHO Cn1c2ccccc2c(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1-c1ccccc1 ZINC001235370682 1040874457 /nfs/dbraw/zinc/87/44/57/1040874457.db2.gz VXCZEHPBZGNBDE-WZOHSFFVSA-N 1 3 387.527 3.798 20 0 GHADHO Cc1ccc(I)cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428147 1040929627 /nfs/dbraw/zinc/92/96/27/1040929627.db2.gz PACUPKKDSOSQMH-HZPDHXFCSA-N 1 3 398.332 3.811 20 0 GHADHO Ic1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235427859 1040930428 /nfs/dbraw/zinc/93/04/28/1040930428.db2.gz UDNKSDDUJMSEIF-JKSUJKDBSA-N 1 3 384.305 3.503 20 0 GHADHO CCOC(=O)[C@@H]1CCC[C@@H](N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001255349595 1040955697 /nfs/dbraw/zinc/95/56/97/1040955697.db2.gz LJCWEBYVGNWECZ-IEBWSBKVSA-N 1 3 378.944 3.798 20 0 GHADHO c1ccc(CN2CCC[C@@H]([NH2+]Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC001255384277 1040974062 /nfs/dbraw/zinc/97/40/62/1040974062.db2.gz XEQMGOAOUXHONA-RUZDIDTESA-N 1 3 393.575 3.663 20 0 GHADHO c1ccc(CN2CCC[C@H]([NH2+]Cc3ccc(OC4CCOCC4)nc3)CC2)cc1 ZINC001255385987 1040974854 /nfs/dbraw/zinc/97/48/54/1040974854.db2.gz KKSKBHLLWFFMIM-QFIPXVFZSA-N 1 3 395.547 3.784 20 0 GHADHO c1ccc(CN2CCC[C@@H]([N@@H+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399502 1040985369 /nfs/dbraw/zinc/98/53/69/1040985369.db2.gz SXPODVWCBIBQFZ-XMMPIXPASA-N 1 3 378.564 3.644 20 0 GHADHO c1ccc(CN2CCC[C@@H]([N@H+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399502 1040985371 /nfs/dbraw/zinc/98/53/71/1040985371.db2.gz SXPODVWCBIBQFZ-XMMPIXPASA-N 1 3 378.564 3.644 20 0 GHADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)C1 ZINC001255401189 1040987527 /nfs/dbraw/zinc/98/75/27/1040987527.db2.gz ROTPEPDGLWUEKG-DQEYMECFSA-N 1 3 399.623 3.864 20 0 GHADHO CC(C)N1CCOC[C@@]2(CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)C1 ZINC001255401189 1040987529 /nfs/dbraw/zinc/98/75/29/1040987529.db2.gz ROTPEPDGLWUEKG-DQEYMECFSA-N 1 3 399.623 3.864 20 0 GHADHO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001255607985 1041162621 /nfs/dbraw/zinc/16/26/21/1041162621.db2.gz XUBOQZCAVQICLC-FQEVSTJZSA-N 1 3 385.552 3.594 20 0 GHADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235789702 1041280308 /nfs/dbraw/zinc/28/03/08/1041280308.db2.gz FFCBCUAARWQJCO-SFHVURJKSA-N 1 3 390.984 3.718 20 0 GHADHO c1ccc(C(OC2CC[NH+](CC[C@@H]3CNCCO3)CC2)c2ccccc2)cc1 ZINC001235834189 1041359387 /nfs/dbraw/zinc/35/93/87/1041359387.db2.gz LVIOIROPGBIUQE-HSZRJFAPSA-N 1 3 380.532 3.636 20 0 GHADHO CC[NH+](CC)CC[C@@H](C)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001255963625 1041444028 /nfs/dbraw/zinc/44/40/28/1041444028.db2.gz SBBDSPBHNAMOAZ-CTNGQTDRSA-N 1 3 394.554 3.735 20 0 GHADHO COCCCOc1ccc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235972819 1041477146 /nfs/dbraw/zinc/47/71/46/1041477146.db2.gz LCMNMMCFCCQUEC-UHFFFAOYSA-N 1 3 380.532 3.739 20 0 GHADHO CCOC(=O)[C@H]1CC[N@H+](Cc2cc3c(s2)CCNC3)C[C@H]1c1ccccc1 ZINC001236008393 1041499919 /nfs/dbraw/zinc/49/99/19/1041499919.db2.gz KDSUELJRANXONX-PMACEKPBSA-N 1 3 384.545 3.563 20 0 GHADHO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc3c(s2)CCNC3)C[C@H]1c1ccccc1 ZINC001236008393 1041499948 /nfs/dbraw/zinc/49/99/48/1041499948.db2.gz KDSUELJRANXONX-PMACEKPBSA-N 1 3 384.545 3.563 20 0 GHADHO CCOC(=O)[C@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1c1ccccc1 ZINC001236008393 1041499958 /nfs/dbraw/zinc/49/99/58/1041499958.db2.gz KDSUELJRANXONX-PMACEKPBSA-N 1 3 384.545 3.563 20 0 GHADHO c1c(CN2CC3(CC(OCc4ccccc4)C3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001236043205 1041513697 /nfs/dbraw/zinc/51/36/97/1041513697.db2.gz VRMRXNUGRJILNB-UHFFFAOYSA-N 1 3 387.527 3.926 20 0 GHADHO COc1ccc([C@H](C[N@H+](C)Cc2ccc3n2CCNC3)C2(O)CCCCC2)cc1 ZINC001236093415 1041530298 /nfs/dbraw/zinc/53/02/98/1041530298.db2.gz HPGHVODJSWPXMT-QHCPKHFHSA-N 1 3 397.563 3.511 20 0 GHADHO COc1ccc([C@H](C[N@@H+](C)Cc2ccc3n2CCNC3)C2(O)CCCCC2)cc1 ZINC001236093415 1041530310 /nfs/dbraw/zinc/53/03/10/1041530310.db2.gz HPGHVODJSWPXMT-QHCPKHFHSA-N 1 3 397.563 3.511 20 0 GHADHO C[C@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCC(N(C)Cc2ccc(Cl)cc2)CC1 ZINC001236214607 1041624675 /nfs/dbraw/zinc/62/46/75/1041624675.db2.gz SKVIHUDKYZDYDS-HNAYVOBHSA-N 1 3 385.930 3.727 20 0 GHADHO C[C@H]1CNCC(F)(F)[C@@H]1CN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214607 1041624678 /nfs/dbraw/zinc/62/46/78/1041624678.db2.gz SKVIHUDKYZDYDS-HNAYVOBHSA-N 1 3 385.930 3.727 20 0 GHADHO C[C@H]1CNCC(F)(F)[C@@H]1CN1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214607 1041624689 /nfs/dbraw/zinc/62/46/89/1041624689.db2.gz SKVIHUDKYZDYDS-HNAYVOBHSA-N 1 3 385.930 3.727 20 0 GHADHO CN(Cc1cc(Br)ccc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224411 1041629755 /nfs/dbraw/zinc/62/97/55/1041629755.db2.gz UDQXYTJPHVZJOX-JOCQHMNTSA-N 1 3 376.136 3.913 20 0 GHADHO CCOC(=O)CC1([NH3+])CCN([C@H](C)CCc2ccc(Br)cc2)CC1 ZINC001256222701 1041659324 /nfs/dbraw/zinc/65/93/24/1041659324.db2.gz NPJUJRGYSQPSSU-OAHLLOKOSA-N 1 3 397.357 3.517 20 0 GHADHO CCOC(=O)CC1(N)CC[NH+]([C@H](C)CCc2ccc(Br)cc2)CC1 ZINC001256222701 1041659331 /nfs/dbraw/zinc/65/93/31/1041659331.db2.gz NPJUJRGYSQPSSU-OAHLLOKOSA-N 1 3 397.357 3.517 20 0 GHADHO FC(F)(F)Oc1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236320510 1041670430 /nfs/dbraw/zinc/67/04/30/1041670430.db2.gz HZBMIJZQULKRGV-BETUJISGSA-N 1 3 393.247 3.779 20 0 GHADHO Fc1ccc(CN(Cc2ccc(OC(F)F)nc2)CC2CC[NH2+]CC2)cc1 ZINC001236385158 1041693381 /nfs/dbraw/zinc/69/33/81/1041693381.db2.gz PLYFFCYUFVPOCE-UHFFFAOYSA-N 1 3 379.426 3.824 20 0 GHADHO COC(=O)c1cccc2n[n-]c(C[N@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)c21 ZINC001236566160 1041765082 /nfs/dbraw/zinc/76/50/82/1041765082.db2.gz RTYDBZUJPYVEOB-JCNLHEQBSA-N 1 3 384.524 3.754 20 0 GHADHO COC(=O)c1cccc2n[n-]c(C[N@@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)c21 ZINC001236566160 1041765086 /nfs/dbraw/zinc/76/50/86/1041765086.db2.gz RTYDBZUJPYVEOB-JCNLHEQBSA-N 1 3 384.524 3.754 20 0 GHADHO COc1cc(CN2CCC(CC3CC[NH2+]CC3)CC2)ccc1OC(=O)C(C)C ZINC001236961500 1041970443 /nfs/dbraw/zinc/97/04/43/1041970443.db2.gz IOVRXEKRPZMSBE-UHFFFAOYSA-N 1 3 388.552 3.858 20 0 GHADHO CCOC(=O)Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001237480865 1042227454 /nfs/dbraw/zinc/22/74/54/1042227454.db2.gz NSXGXGLSUQOIRA-RUZDIDTESA-N 1 3 392.543 3.890 20 0 GHADHO CCOC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001237480865 1042227459 /nfs/dbraw/zinc/22/74/59/1042227459.db2.gz NSXGXGLSUQOIRA-RUZDIDTESA-N 1 3 392.543 3.890 20 0 GHADHO C[NH+]1CCC2(CCN(Cc3c[nH]c4cc(F)c(Br)cc34)C2)CC1 ZINC001237928681 1042425226 /nfs/dbraw/zinc/42/52/26/1042425226.db2.gz DKNVMSJMHFNZAS-UHFFFAOYSA-N 1 3 380.305 3.987 20 0 GHADHO CCCCOc1ncc(CN2CCC(COCC[NH+]3CCCC3)CC2)cc1C ZINC001238497829 1042618295 /nfs/dbraw/zinc/61/82/95/1042618295.db2.gz SCODGSQSWNFVHU-UHFFFAOYSA-N 1 3 389.584 3.893 20 0 GHADHO COc1cc(C)c(C)cc1CN1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001238756136 1042715387 /nfs/dbraw/zinc/71/53/87/1042715387.db2.gz KDHRYUHKASFIAR-UHFFFAOYSA-N 1 3 382.552 3.553 20 0 GHADHO c1ccc(C[NH+]2CCC(N3CCc4ncnc(-c5ccncc5)c4CC3)CC2)cc1 ZINC001256607955 1043571962 /nfs/dbraw/zinc/57/19/62/1043571962.db2.gz XMKYKKXDJGANTH-UHFFFAOYSA-N 1 3 399.542 3.604 20 0 GHADHO [NH3+]Cc1cn(C2CCC(N3CCOCC3)CC2)c2ccc(Br)cc12 ZINC001256684042 1043621088 /nfs/dbraw/zinc/62/10/88/1043621088.db2.gz MOKPSWYUHZXGDQ-UHFFFAOYSA-N 1 3 392.341 3.678 20 0 GHADHO COc1cccc(CC2([NH3+])CCN([C@H]3CCO[C@@H](c4ccccc4)C3)CC2)c1 ZINC001256801168 1043659447 /nfs/dbraw/zinc/65/94/47/1043659447.db2.gz ROKXTMSGKLCVOH-JTHBVZDNSA-N 1 3 380.532 3.951 20 0 GHADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256879308 1043717113 /nfs/dbraw/zinc/71/71/13/1043717113.db2.gz KHGZSENSFHITHZ-INIZCTEOSA-N 1 3 384.490 3.923 20 0 GHADHO CC[C@H]1C[C@H](N2CCN(c3cc[nH+]cc3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001257141163 1043889998 /nfs/dbraw/zinc/88/99/98/1043889998.db2.gz HEQRAKSVZWFPJZ-RBUKOAKNSA-N 1 3 388.556 3.690 20 0 GHADHO CC[C@@H]1C[C@@H](N2CCN(c3cc[nH+]cc3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001257141161 1043890444 /nfs/dbraw/zinc/89/04/44/1043890444.db2.gz HEQRAKSVZWFPJZ-MOPGFXCFSA-N 1 3 388.556 3.690 20 0 GHADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC001293053099 1044003360 /nfs/dbraw/zinc/00/33/60/1044003360.db2.gz XURBOYGAMAVUPD-HXUWFJFHSA-N 1 3 391.987 3.886 20 0 GHADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC001293053099 1044003371 /nfs/dbraw/zinc/00/33/71/1044003371.db2.gz XURBOYGAMAVUPD-HXUWFJFHSA-N 1 3 391.987 3.886 20 0 GHADHO CC(=O)N1CCCC[C@@]12CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141938 1044426966 /nfs/dbraw/zinc/42/69/66/1044426966.db2.gz QDWOLNXMXLFDBE-DEOSSOPVSA-N 1 3 383.580 3.561 20 0 GHADHO COCC[C@@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143652 1044429814 /nfs/dbraw/zinc/42/98/14/1044429814.db2.gz OKWCQRAVUIRRTQ-LADGPHEKSA-N 1 3 386.580 3.601 20 0 GHADHO CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001295376481 1044992592 /nfs/dbraw/zinc/99/25/92/1044992592.db2.gz NHSDZRPBDHDXLY-QYZOEREBSA-N 1 3 390.620 3.585 20 0 GHADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC001296000637 1045218404 /nfs/dbraw/zinc/21/84/04/1045218404.db2.gz ZNUJQKZIOIMEDQ-RTBURBONSA-N 1 3 390.620 3.583 20 0 GHADHO Cc1cc(CN2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)c(Cl)nc1C ZINC001279945672 1047998854 /nfs/dbraw/zinc/99/88/54/1047998854.db2.gz AJUQPCAKZJAWEA-NRFANRHFSA-N 1 3 378.992 3.591 20 0 GHADHO CC(C)Cc1ccc([C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC001306855871 1048929403 /nfs/dbraw/zinc/92/94/03/1048929403.db2.gz YSSIKLTZRXEZSX-QHCPKHFHSA-N 1 3 381.564 3.979 20 0 GHADHO COc1ccc([C@H](NC(C)C)C(=O)N(CC(C)C)CC2CC[NH+](C)CC2)cc1 ZINC001306888857 1048945783 /nfs/dbraw/zinc/94/57/83/1048945783.db2.gz SKWZVXNOXIREOD-QFIPXVFZSA-N 1 3 389.584 3.561 20 0 GHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC(C)(C)CCC2(C)C)CC1 ZINC001307946283 1049715977 /nfs/dbraw/zinc/71/59/77/1049715977.db2.gz VICYJMHZDQNAGL-UHFFFAOYSA-N 1 3 385.596 3.976 20 0 GHADHO C[C@@H]1C[NH+](Cc2ccc(CNCc3cn4cc(Cl)ccc4n3)cc2)C[C@@H](C)O1 ZINC001308196069 1049908385 /nfs/dbraw/zinc/90/83/85/1049908385.db2.gz AOTLMDLCVFSWLG-IAGOWNOFSA-N 1 3 398.938 3.887 20 0 GHADHO CCc1[nH]nc(Cl)c1CNCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001308195851 1049908479 /nfs/dbraw/zinc/90/84/79/1049908479.db2.gz AWNGTQKPGVYNFO-UHFFFAOYSA-N 1 3 389.975 3.626 20 0 GHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC001308270372 1049932589 /nfs/dbraw/zinc/93/25/89/1049932589.db2.gz UVDSUYISPIHOJC-KBXCAEBGSA-N 1 3 387.337 3.815 20 0 GHADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc(Br)sc2Br)C1 ZINC001308450779 1049979761 /nfs/dbraw/zinc/97/97/61/1049979761.db2.gz QSETUKKEGSTRMN-WAAGHKOSSA-N 1 3 382.165 3.703 20 0 GHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568460 1050013121 /nfs/dbraw/zinc/01/31/21/1050013121.db2.gz DYAODOJMYZTPGH-ZFWWWQNUSA-N 1 3 383.330 3.540 20 0 GHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568460 1050013123 /nfs/dbraw/zinc/01/31/23/1050013123.db2.gz DYAODOJMYZTPGH-ZFWWWQNUSA-N 1 3 383.330 3.540 20 0 GHADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CN1Cc1ccccc1 ZINC001311436186 1052145928 /nfs/dbraw/zinc/14/59/28/1052145928.db2.gz KWIDUPFJMNEXPR-PZJWPPBQSA-N 1 3 386.584 3.603 20 0 GHADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1Cl ZINC001335950375 1052207172 /nfs/dbraw/zinc/20/71/72/1052207172.db2.gz IJOVITWQGAOITA-FQEVSTJZSA-N 1 3 394.346 3.924 20 0 GHADHO CCN(CCC[NH+](CC)CC)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001311719726 1052354337 /nfs/dbraw/zinc/35/43/37/1052354337.db2.gz AZYYYJJBSNDWMQ-UHFFFAOYSA-N 1 3 388.600 3.587 20 0 GHADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)N2CCCC2)cc1 ZINC001311766247 1052384521 /nfs/dbraw/zinc/38/45/21/1052384521.db2.gz ROQGDVZKFAPFSV-AFXVXQJMSA-N 1 3 398.595 3.504 20 0 GHADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001319395113 1055226475 /nfs/dbraw/zinc/22/64/75/1055226475.db2.gz VRNRZCNKAJOSOR-XMMPIXPASA-N 1 3 379.548 3.610 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)c2)CC1 ZINC001321370069 1056237579 /nfs/dbraw/zinc/23/75/79/1056237579.db2.gz JRVKMVWIQOIRFZ-VWNXMTODSA-N 1 3 378.564 3.645 20 0 GHADHO CSc1cc(C)ccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849087405 1057588431 /nfs/dbraw/zinc/58/84/31/1057588431.db2.gz HNPUHTYKJWPHCW-UHFFFAOYSA-N 1 3 382.577 3.995 20 0 GHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001441370700 1058771465 /nfs/dbraw/zinc/77/14/65/1058771465.db2.gz KAMUMHWQHHORMU-JPYJTQIMSA-N 1 3 389.559 3.890 20 0 GHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001441370700 1058771487 /nfs/dbraw/zinc/77/14/87/1058771487.db2.gz KAMUMHWQHHORMU-JPYJTQIMSA-N 1 3 389.559 3.890 20 0 GHADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001442716410 1058997151 /nfs/dbraw/zinc/99/71/51/1058997151.db2.gz DPRGPJCLEARYGF-HNNXBMFYSA-N 1 3 387.490 3.762 20 0 GHADHO CC[C@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccc(F)cc1 ZINC001347611840 1062525528 /nfs/dbraw/zinc/52/55/28/1062525528.db2.gz ILMOKEIJVRCGOB-QHCPKHFHSA-N 1 3 397.538 3.956 20 0 GHADHO CCCC1(CCC)CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001468411745 1067722861 /nfs/dbraw/zinc/72/28/61/1067722861.db2.gz VUOYTFNHRFUMDQ-UHFFFAOYSA-N 1 3 378.605 3.689 20 0 GHADHO Cc1ccc(CN2CC[C@H](NC(=O)NC3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC001469160168 1068002463 /nfs/dbraw/zinc/00/24/63/1068002463.db2.gz GXIGVTYNWYVHLB-KOENEWCDSA-N 1 3 398.595 3.666 20 0 GHADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359715074 1068151588 /nfs/dbraw/zinc/15/15/88/1068151588.db2.gz PBICLOGILHMQEZ-UHFFFAOYSA-N 1 3 390.620 3.587 20 0 GHADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187806 1068846375 /nfs/dbraw/zinc/84/63/75/1068846375.db2.gz TVTPYHVTRPADCG-BHIYHBOVSA-N 1 3 381.358 3.679 20 0 GHADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187806 1068846391 /nfs/dbraw/zinc/84/63/91/1068846391.db2.gz TVTPYHVTRPADCG-BHIYHBOVSA-N 1 3 381.358 3.679 20 0 GHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187806 1068846409 /nfs/dbraw/zinc/84/64/09/1068846409.db2.gz TVTPYHVTRPADCG-BHIYHBOVSA-N 1 3 381.358 3.679 20 0 GHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187806 1068846431 /nfs/dbraw/zinc/84/64/31/1068846431.db2.gz TVTPYHVTRPADCG-BHIYHBOVSA-N 1 3 381.358 3.679 20 0 GHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001478957571 1079039691 /nfs/dbraw/zinc/03/96/91/1079039691.db2.gz ROARSQVPEWYSKS-KSEOMHKRSA-N 1 3 388.600 3.674 20 0 GHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001478957571 1079039692 /nfs/dbraw/zinc/03/96/92/1079039692.db2.gz ROARSQVPEWYSKS-KSEOMHKRSA-N 1 3 388.600 3.674 20 0 GHADHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccccc3N3CCCCC3)c2)CC1 ZINC001473976349 1074223557 /nfs/dbraw/zinc/22/35/57/1074223557.db2.gz MHLZNRQVSASFLI-UHFFFAOYSA-N 1 3 392.591 3.714 20 0 GHADHO C[NH+]1CCC(N2CC[C@@H](NCc3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC001473994344 1074229017 /nfs/dbraw/zinc/22/90/17/1074229017.db2.gz ZIIIFPCNYWGKQP-OAHLLOKOSA-N 1 3 375.866 3.617 20 0 GHADHO Clc1ccc(Br)c(CNCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001474086171 1074259140 /nfs/dbraw/zinc/25/91/40/1074259140.db2.gz QKPKUZWSPRXUCM-UHFFFAOYSA-N 1 3 395.732 3.899 20 0 GHADHO CN(C)Cc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)c2c1OC(F)(F)O2 ZINC001474212139 1074295778 /nfs/dbraw/zinc/29/57/78/1074295778.db2.gz NFRDERPOTXIVPA-SFHVURJKSA-N 1 3 395.494 3.566 20 0 GHADHO CN(C)Cc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)c2c1OC(F)(F)O2 ZINC001474212139 1074295783 /nfs/dbraw/zinc/29/57/83/1074295783.db2.gz NFRDERPOTXIVPA-SFHVURJKSA-N 1 3 395.494 3.566 20 0 GHADHO CCN(CCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)CCC(F)(F)F ZINC001474437973 1074406268 /nfs/dbraw/zinc/40/62/68/1074406268.db2.gz AYZVQRUZFGOVLC-UFYCRDLUSA-N 1 3 383.502 3.903 20 0 GHADHO CCN(CCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)CCC(F)(F)F ZINC001474437973 1074406270 /nfs/dbraw/zinc/40/62/70/1074406270.db2.gz AYZVQRUZFGOVLC-UFYCRDLUSA-N 1 3 383.502 3.903 20 0 GHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505146 1074436563 /nfs/dbraw/zinc/43/65/63/1074436563.db2.gz PTCMVTKFXNVHFJ-MUKFEANQSA-N 1 3 377.573 3.581 20 0 GHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505146 1074436567 /nfs/dbraw/zinc/43/65/67/1074436567.db2.gz PTCMVTKFXNVHFJ-MUKFEANQSA-N 1 3 377.573 3.581 20 0 GHADHO